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 1fp4_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.625 174.600 0.041 0.000 1.055 2 S CA 0.000 58.219 58.200 0.031 0.000 1.107 2 S CB 0.000 63.205 63.200 0.009 0.000 0.593 3 Q N 1.147 120.956 119.800 0.016 0.000 2.295 3 Q HA 0.414 4.755 4.340 0.002 0.000 0.268 3 Q C -2.051 173.945 176.000 -0.006 0.000 1.010 3 Q CA -0.267 55.536 55.803 0.000 0.000 0.856 3 Q CB 1.582 30.321 28.738 0.001 0.000 1.349 3 Q HN 0.598 nan 8.270 nan 0.000 0.412 4 Q N 2.640 122.432 119.800 -0.013 0.000 2.303 4 Q HA 0.259 4.601 4.340 0.002 0.000 0.257 4 Q C 0.375 176.367 176.000 -0.013 0.000 0.941 4 Q CA -0.319 55.477 55.803 -0.012 0.000 0.931 4 Q CB 2.061 30.790 28.738 -0.014 0.000 1.215 4 Q HN 0.599 nan 8.270 nan 0.000 0.437 5 V N 3.064 122.972 119.914 -0.009 0.000 2.867 5 V HA -0.208 3.913 4.120 0.002 0.000 0.260 5 V C 0.673 176.761 176.094 -0.009 0.000 1.099 5 V CA 1.926 64.221 62.300 -0.008 0.000 1.122 5 V CB 0.019 31.839 31.823 -0.005 0.000 0.708 5 V HN 0.753 nan 8.190 nan 0.000 0.490 6 D N -0.447 119.948 120.400 -0.010 0.000 2.333 6 D HA 0.063 4.704 4.640 0.002 0.000 0.208 6 D C 1.210 177.503 176.300 -0.012 0.000 0.984 6 D CA 0.576 54.571 54.000 -0.009 0.000 0.873 6 D CB 0.197 40.992 40.800 -0.007 0.000 0.935 6 D HN 0.352 nan 8.370 nan 0.000 0.521 7 K N 1.275 121.665 120.400 -0.017 0.000 2.920 7 K HA 0.267 4.588 4.320 0.002 0.000 0.175 7 K C -0.718 175.863 176.600 -0.033 0.000 1.099 7 K CA -0.289 55.984 56.287 -0.023 0.000 0.939 7 K CB 0.386 32.872 32.500 -0.023 0.000 1.148 7 K HN -0.064 nan 8.250 nan 0.000 0.613 8 I N 2.912 123.463 120.570 -0.032 0.000 2.496 8 I HA 0.048 4.219 4.170 0.002 0.000 0.285 8 I C 0.301 176.380 176.117 -0.062 0.000 1.080 8 I CA 0.160 61.435 61.300 -0.042 0.000 1.404 8 I CB 0.651 38.632 38.000 -0.031 0.000 1.403 8 I HN 0.094 nan 8.210 nan 0.000 0.539 9 K N 6.039 126.384 120.400 -0.092 0.000 2.240 9 K HA 0.601 4.922 4.320 0.002 0.000 0.271 9 K C -0.146 176.355 176.600 -0.166 0.000 1.018 9 K CA -0.517 55.686 56.287 -0.140 0.000 0.874 9 K CB 1.730 34.117 32.500 -0.189 0.000 1.098 9 K HN 0.697 nan 8.250 nan 0.000 0.458 10 A N 1.629 124.369 122.820 -0.134 0.000 2.250 10 A HA 0.131 4.453 4.320 0.002 0.000 0.283 10 A C 1.503 178.962 177.584 -0.209 0.000 1.206 10 A CA 0.137 52.102 52.037 -0.121 0.000 0.840 10 A CB 0.052 19.033 19.000 -0.033 0.000 1.220 10 A HN 0.844 nan 8.150 nan 0.000 0.505 11 S N -1.328 114.287 115.700 -0.142 0.000 2.381 11 S HA -0.242 4.230 4.470 0.002 0.000 0.230 11 S C 0.631 175.169 174.600 -0.102 0.000 1.052 11 S CA 1.935 60.046 58.200 -0.148 0.000 1.068 11 S CB -0.686 62.648 63.200 0.223 0.000 0.918 11 S HN 0.866 nan 8.310 nan 0.000 0.448 12 Y N 4.599 124.861 120.300 -0.063 0.000 2.328 12 Y HA 0.512 5.063 4.550 0.002 0.000 0.337 12 Y C -2.403 173.447 175.900 -0.083 0.000 1.008 12 Y CA -2.435 55.638 58.100 -0.044 0.000 1.129 12 Y CB 1.893 40.357 38.460 0.008 0.000 1.185 12 Y HN 0.010 nan 8.280 nan 0.000 0.476 13 P HA 0.027 nan 4.420 nan 0.000 0.269 13 P C 0.895 177.914 177.300 -0.468 0.000 1.478 13 P CA 0.095 62.667 63.100 -0.880 0.000 1.045 13 P CB 0.422 31.539 31.700 -0.972 0.000 1.512 14 L N -0.151 120.770 121.223 -0.502 0.000 2.079 14 L HA -0.041 4.301 4.340 0.002 0.000 0.210 14 L C 1.706 178.191 176.870 -0.641 0.000 1.081 14 L CA 1.970 56.452 54.840 -0.597 0.000 0.752 14 L CB -1.214 40.328 42.059 -0.862 0.000 0.896 14 L HN -0.147 nan 8.230 nan 0.000 0.433 15 F N -1.358 118.392 119.950 -0.332 0.000 2.804 15 F HA 0.065 4.593 4.527 0.002 0.000 0.303 15 F C 1.668 177.431 175.800 -0.061 0.000 1.154 15 F CA -0.151 57.660 58.000 -0.316 0.000 1.401 15 F CB -0.103 38.743 39.000 -0.257 0.000 1.106 15 F HN 0.036 nan 8.300 nan 0.000 0.568 16 L N -0.920 120.331 121.223 0.046 0.000 2.567 16 L HA 0.074 4.416 4.340 0.002 0.000 0.225 16 L C 0.124 177.039 176.870 0.074 0.000 1.119 16 L CA -0.017 54.858 54.840 0.057 0.000 0.871 16 L CB -0.346 41.698 42.059 -0.024 0.000 1.036 16 L HN -0.094 nan 8.230 nan 0.000 0.459 17 D N 0.184 120.647 120.400 0.106 0.000 2.414 17 D HA -0.041 4.600 4.640 0.002 0.000 0.242 17 D C 0.970 177.371 176.300 0.169 0.000 1.129 17 D CA 0.183 54.265 54.000 0.136 0.000 0.885 17 D CB 1.135 42.050 40.800 0.192 0.000 1.198 17 D HN -0.102 nan 8.370 nan 0.000 0.437 18 Q N 1.676 121.533 119.800 0.095 0.000 2.077 18 Q HA -0.210 4.132 4.340 0.002 0.000 0.206 18 Q C 1.200 177.239 176.000 0.064 0.000 0.989 18 Q CA 1.992 57.838 55.803 0.072 0.000 0.853 18 Q CB -0.103 28.659 28.738 0.039 0.000 0.907 18 Q HN 0.616 nan 8.270 nan 0.000 0.418 19 D N -1.525 118.889 120.400 0.023 0.000 2.218 19 D HA -0.207 4.435 4.640 0.002 0.000 0.204 19 D C 1.455 177.709 176.300 -0.076 0.000 0.976 19 D CA 1.237 55.202 54.000 -0.058 0.000 0.853 19 D CB -0.734 39.978 40.800 -0.148 0.000 0.939 19 D HN 0.473 nan 8.370 nan 0.000 0.481 20 Y N 0.729 121.079 120.300 0.084 0.000 2.243 20 Y HA 0.036 4.587 4.550 0.002 0.000 0.293 20 Y C 2.700 178.659 175.900 0.099 0.000 1.124 20 Y CA 0.890 59.067 58.100 0.129 0.000 1.159 20 Y CB 0.033 38.635 38.460 0.236 0.000 1.008 20 Y HN -0.128 nan 8.280 nan 0.000 0.527 21 K N 0.377 120.927 120.400 0.250 0.000 2.057 21 K HA -0.188 4.133 4.320 0.002 0.000 0.207 21 K C 1.173 177.837 176.600 0.106 0.000 1.049 21 K CA 1.908 58.290 56.287 0.159 0.000 0.931 21 K CB -0.083 32.492 32.500 0.125 0.000 0.714 21 K HN 0.252 nan 8.250 nan 0.000 0.440 22 D N 0.641 121.090 120.400 0.082 0.000 2.149 22 D HA -0.183 4.459 4.640 0.002 0.000 0.201 22 D C 1.827 178.159 176.300 0.053 0.000 0.972 22 D CA 0.940 54.971 54.000 0.052 0.000 0.835 22 D CB -0.113 40.705 40.800 0.030 0.000 0.966 22 D HN 0.314 nan 8.370 nan 0.000 0.476 23 M N 0.322 119.958 119.600 0.061 0.000 2.117 23 M HA -0.144 4.338 4.480 0.002 0.000 0.262 23 M C 1.895 178.245 176.300 0.083 0.000 1.065 23 M CA 1.252 56.590 55.300 0.064 0.000 1.114 23 M CB 0.024 32.658 32.600 0.056 0.000 1.361 23 M HN -0.030 nan 8.290 nan 0.000 0.408 24 L N -0.149 121.131 121.223 0.094 0.000 2.156 24 L HA -0.076 4.265 4.340 0.002 0.000 0.208 24 L C 2.708 179.616 176.870 0.062 0.000 1.095 24 L CA 0.814 55.699 54.840 0.074 0.000 0.770 24 L CB -0.786 41.313 42.059 0.067 0.000 0.914 24 L HN 0.379 nan 8.230 nan 0.000 0.439 25 A N 0.044 122.899 122.820 0.057 0.000 1.930 25 A HA -0.185 4.136 4.320 0.002 0.000 0.217 25 A C 2.309 179.910 177.584 0.028 0.000 1.175 25 A CA 1.390 53.450 52.037 0.039 0.000 0.627 25 A CB -0.229 18.792 19.000 0.035 0.000 0.815 25 A HN 0.275 nan 8.150 nan 0.000 0.443 26 K N -0.442 119.983 120.400 0.042 0.000 2.155 26 K HA -0.092 4.230 4.320 0.002 0.000 0.203 26 K C 2.150 178.791 176.600 0.068 0.000 1.052 26 K CA 1.323 57.632 56.287 0.036 0.000 0.948 26 K CB -0.068 32.469 32.500 0.061 0.000 0.728 26 K HN 0.513 nan 8.250 nan 0.000 0.448 27 K N 1.358 121.838 120.400 0.133 0.000 2.001 27 K HA -0.151 4.170 4.320 0.002 0.000 0.208 27 K C 2.290 178.988 176.600 0.163 0.000 1.048 27 K CA 1.024 57.457 56.287 0.242 0.000 0.932 27 K CB -0.008 32.590 32.500 0.163 0.000 0.715 27 K HN -0.066 nan 8.250 nan 0.000 0.437 28 R N 0.824 121.367 120.500 0.072 0.000 2.083 28 R HA -0.173 4.168 4.340 0.002 0.000 0.237 28 R C 1.322 177.605 176.300 -0.027 0.000 1.137 28 R CA 2.261 58.381 56.100 0.033 0.000 0.951 28 R CB -0.447 29.869 30.300 0.026 0.000 0.851 28 R HN 0.317 nan 8.270 nan 0.000 0.434 29 D N -1.005 119.357 120.400 -0.064 0.000 2.183 29 D HA -0.060 4.581 4.640 0.002 0.000 0.203 29 D C 1.684 177.829 176.300 -0.259 0.000 0.969 29 D CA 1.462 55.388 54.000 -0.123 0.000 0.842 29 D CB -0.293 40.449 40.800 -0.098 0.000 0.957 29 D HN 0.522 nan 8.370 nan 0.000 0.484 30 G N -1.013 107.514 108.800 -0.454 0.000 2.426 30 G HA2 -0.065 3.897 3.960 0.002 0.000 0.214 30 G HA3 -0.065 3.897 3.960 0.002 0.000 0.214 30 G C 1.001 175.192 174.900 -1.181 0.000 1.156 30 G CA 0.177 44.657 45.100 -1.035 0.000 0.802 30 G HN 0.254 nan 8.290 nan 0.000 0.534 31 F N -0.766 119.176 119.950 -0.012 0.000 2.883 31 F HA 0.337 4.865 4.527 0.002 0.000 0.351 31 F C 2.099 177.890 175.800 -0.016 0.000 0.970 31 F CA -0.285 57.706 58.000 -0.014 0.000 1.130 31 F CB 0.566 39.560 39.000 -0.011 0.000 1.015 31 F HN 0.010 nan 8.300 nan 0.000 0.585 32 E N 1.127 121.388 120.200 0.103 0.000 2.285 32 E HA -0.088 4.264 4.350 0.002 0.000 0.194 32 E C -0.027 176.582 176.600 0.015 0.000 0.997 32 E CA 0.619 57.058 56.400 0.065 0.000 0.845 32 E CB -0.161 29.572 29.700 0.055 0.000 0.782 32 E HN 0.323 nan 8.360 nan 0.000 0.491 33 E N 1.245 121.429 120.200 -0.026 0.000 2.228 33 E HA -0.208 4.143 4.350 0.002 0.000 0.213 33 E C -0.314 176.230 176.600 -0.093 0.000 1.282 33 E CA 0.250 56.607 56.400 -0.072 0.000 0.707 33 E CB -0.747 28.910 29.700 -0.073 0.000 1.150 33 E HN 0.094 nan 8.360 nan 0.000 0.362 34 K N 0.640 121.012 120.400 -0.047 0.000 2.355 34 K HA 0.108 4.429 4.320 0.002 0.000 0.270 34 K C -0.042 176.537 176.600 -0.034 0.000 1.003 34 K CA 0.055 56.343 56.287 0.002 0.000 0.957 34 K CB 0.329 32.849 32.500 0.035 0.000 0.939 34 K HN 0.074 nan 8.250 nan 0.000 0.482 35 Y N 2.563 122.869 120.300 0.010 0.000 2.578 35 Y HA 0.008 4.559 4.550 0.002 0.000 0.339 35 Y C -1.514 174.393 175.900 0.011 0.000 1.231 35 Y CA -0.993 57.114 58.100 0.011 0.000 1.461 35 Y CB -0.033 38.439 38.460 0.020 0.000 1.323 35 Y HN 0.492 nan 8.280 nan 0.000 0.590 36 P HA -0.084 nan 4.420 nan 0.000 0.262 36 P C 0.125 177.493 177.300 0.113 0.000 1.182 36 P CA 0.120 63.280 63.100 0.099 0.000 0.761 36 P CB 0.756 32.502 31.700 0.078 0.000 0.795 37 Q N 3.678 123.525 119.800 0.079 0.000 2.152 37 Q HA -0.245 4.096 4.340 0.002 0.000 0.206 37 Q C 1.359 177.401 176.000 0.070 0.000 0.985 37 Q CA 2.291 58.137 55.803 0.072 0.000 0.863 37 Q CB -0.670 28.100 28.738 0.054 0.000 0.904 37 Q HN 0.548 nan 8.270 nan 0.000 0.422 38 D N -0.835 119.601 120.400 0.060 0.000 2.178 38 D HA -0.213 4.429 4.640 0.002 0.000 0.201 38 D C 1.600 177.935 176.300 0.059 0.000 0.980 38 D CA 1.409 55.440 54.000 0.052 0.000 0.842 38 D CB -0.202 40.622 40.800 0.039 0.000 0.948 38 D HN 0.169 nan 8.370 nan 0.000 0.472 39 K N 1.229 121.675 120.400 0.076 0.000 2.062 39 K HA 0.013 4.334 4.320 0.002 0.000 0.205 39 K C 2.289 178.923 176.600 0.056 0.000 1.051 39 K CA 0.572 56.903 56.287 0.072 0.000 0.941 39 K CB -0.460 32.120 32.500 0.133 0.000 0.719 39 K HN 0.169 nan 8.250 nan 0.000 0.440 40 I N 1.143 121.759 120.570 0.077 0.000 2.286 40 I HA -0.288 3.883 4.170 0.002 0.000 0.248 40 I C 1.374 177.569 176.117 0.129 0.000 1.115 40 I CA 1.421 62.769 61.300 0.079 0.000 1.392 40 I CB -0.323 37.729 38.000 0.088 0.000 1.065 40 I HN 0.227 nan 8.210 nan 0.000 0.418 41 D N 0.458 120.929 120.400 0.118 0.000 2.117 41 D HA -0.216 4.425 4.640 0.002 0.000 0.198 41 D C 2.013 178.402 176.300 0.147 0.000 0.982 41 D CA 1.068 55.152 54.000 0.140 0.000 0.828 41 D CB -0.323 40.523 40.800 0.076 0.000 0.967 41 D HN 0.393 nan 8.370 nan 0.000 0.464 42 E N 0.686 120.940 120.200 0.090 0.000 2.085 42 E HA -0.142 4.209 4.350 0.002 0.000 0.194 42 E C 2.050 178.701 176.600 0.086 0.000 0.994 42 E CA 0.851 57.288 56.400 0.061 0.000 0.801 42 E CB 0.174 29.889 29.700 0.025 0.000 0.743 42 E HN 0.035 nan 8.360 nan 0.000 0.453 43 V N 0.879 120.851 119.914 0.097 0.000 2.548 43 V HA -0.188 3.934 4.120 0.002 0.000 0.249 43 V C 2.071 178.239 176.094 0.123 0.000 1.055 43 V CA 1.553 63.939 62.300 0.144 0.000 1.065 43 V CB -0.620 31.252 31.823 0.082 0.000 0.681 43 V HN 0.318 nan 8.190 nan 0.000 0.462 44 F N 1.134 121.080 119.950 -0.006 0.000 2.134 44 F HA -0.218 4.310 4.527 0.002 0.000 0.299 44 F C 2.420 178.106 175.800 -0.190 0.000 1.097 44 F CA 2.151 60.111 58.000 -0.066 0.000 1.264 44 F CB -0.195 38.825 39.000 0.032 0.000 1.001 44 F HN 0.114 nan 8.300 nan 0.000 0.479 45 Q N -0.678 119.030 119.800 -0.154 0.000 2.224 45 Q HA -0.186 4.155 4.340 0.002 0.000 0.203 45 Q C 1.809 177.620 176.000 -0.315 0.000 0.970 45 Q CA 1.817 57.439 55.803 -0.302 0.000 0.865 45 Q CB -0.793 27.896 28.738 -0.080 0.000 0.922 45 Q HN 0.642 nan 8.270 nan 0.000 0.445 46 W N 0.345 121.438 121.300 -0.346 0.000 2.388 46 W HA -0.089 4.572 4.660 0.002 0.000 0.294 46 W C 1.700 177.907 176.519 -0.520 0.000 1.212 46 W CA 2.227 59.388 57.345 -0.306 0.000 1.271 46 W CB -0.574 28.782 29.460 -0.174 0.000 1.126 46 W HN 0.176 nan 8.180 nan 0.000 0.535 47 T N -1.659 112.277 114.554 -1.029 0.000 2.977 47 T HA -0.208 4.143 4.350 0.002 0.000 0.271 47 T C 1.579 175.530 174.700 -1.249 0.000 1.105 47 T CA 1.840 62.933 62.100 -1.679 0.000 1.116 47 T CB -1.072 67.101 68.868 -1.158 0.000 0.878 47 T HN 0.349 nan 8.240 nan 0.000 0.509 48 T N 0.126 113.985 114.554 -1.158 0.000 3.065 48 T HA 0.087 4.438 4.350 0.002 0.000 0.252 48 T C 1.147 175.476 174.700 -0.617 0.000 1.099 48 T CA 0.276 61.645 62.100 -1.218 0.000 1.063 48 T CB -0.642 67.239 68.868 -1.646 0.000 0.948 48 T HN 0.596 nan 8.240 nan 0.000 0.506 49 T N -0.626 113.645 114.554 -0.471 0.000 2.788 49 T HA 0.328 4.680 4.350 0.002 0.000 0.287 49 T C 1.026 175.640 174.700 -0.143 0.000 1.007 49 T CA -0.743 61.211 62.100 -0.243 0.000 1.005 49 T CB 1.470 70.257 68.868 -0.135 0.000 1.012 49 T HN 0.128 nan 8.240 nan 0.000 0.530 50 K N -0.010 120.342 120.400 -0.081 0.000 2.211 50 K HA -0.109 4.212 4.320 0.002 0.000 0.203 50 K C 1.886 178.467 176.600 -0.031 0.000 1.050 50 K CA 1.234 57.490 56.287 -0.053 0.000 0.945 50 K CB -0.064 32.415 32.500 -0.035 0.000 0.732 50 K HN 0.675 nan 8.250 nan 0.000 0.451 51 E N -0.524 119.681 120.200 0.008 0.000 2.072 51 E HA -0.180 4.171 4.350 0.002 0.000 0.190 51 E C 1.593 178.218 176.600 0.042 0.000 0.982 51 E CA 1.059 57.504 56.400 0.074 0.000 0.803 51 E CB -0.345 29.476 29.700 0.201 0.000 0.755 51 E HN 0.325 nan 8.360 nan 0.000 0.453 52 Y N 1.520 121.654 120.300 -0.276 0.000 2.200 52 Y HA -0.233 4.318 4.550 0.002 0.000 0.290 52 Y C 2.443 178.194 175.900 -0.248 0.000 1.137 52 Y CA 2.010 59.797 58.100 -0.521 0.000 1.163 52 Y CB -0.082 37.799 38.460 -0.966 0.000 0.988 52 Y HN 0.049 nan 8.280 nan 0.000 0.518 53 Q N 0.219 119.978 119.800 -0.068 0.000 2.096 53 Q HA -0.260 4.082 4.340 0.002 0.000 0.204 53 Q C 1.936 177.951 176.000 0.026 0.000 0.982 53 Q CA 2.185 57.985 55.803 -0.005 0.000 0.850 53 Q CB -0.133 28.584 28.738 -0.036 0.000 0.901 53 Q HN 0.641 nan 8.270 nan 0.000 0.422 54 E N 0.243 120.419 120.200 -0.041 0.000 2.058 54 E HA -0.195 4.157 4.350 0.002 0.000 0.194 54 E C 2.076 178.692 176.600 0.028 0.000 0.997 54 E CA 1.451 57.844 56.400 -0.011 0.000 0.801 54 E CB -0.124 29.569 29.700 -0.010 0.000 0.746 54 E HN 0.391 nan 8.360 nan 0.000 0.450 55 L N 1.081 122.275 121.223 -0.049 0.000 2.201 55 L HA -0.161 4.181 4.340 0.002 0.000 0.212 55 L C 2.290 179.086 176.870 -0.123 0.000 1.105 55 L CA 0.616 55.410 54.840 -0.076 0.000 0.775 55 L CB -0.374 41.621 42.059 -0.106 0.000 0.913 55 L HN 0.159 nan 8.230 nan 0.000 0.440 56 N N 0.444 119.032 118.700 -0.186 0.000 2.216 56 N HA -0.159 4.582 4.740 0.002 0.000 0.183 56 N C 1.455 177.015 175.510 0.083 0.000 1.017 56 N CA 1.403 54.357 53.050 -0.158 0.000 0.861 56 N CB -0.087 38.277 38.487 -0.205 0.000 0.986 56 N HN 0.144 nan 8.380 nan 0.000 0.428 57 F N 0.619 120.599 119.950 0.051 0.000 2.811 57 F HA 0.233 4.761 4.527 0.002 0.000 0.301 57 F C 1.819 177.664 175.800 0.075 0.000 1.151 57 F CA 0.245 58.321 58.000 0.126 0.000 1.412 57 F CB 0.031 39.056 39.000 0.042 0.000 1.113 57 F HN 0.106 nan 8.300 nan 0.000 0.579 58 Q N -0.420 119.487 119.800 0.178 0.000 2.403 58 Q HA 0.076 4.417 4.340 0.002 0.000 0.203 58 Q C 0.472 176.514 176.000 0.071 0.000 0.932 58 Q CA -0.035 55.831 55.803 0.104 0.000 0.945 58 Q CB 0.195 28.972 28.738 0.065 0.000 1.045 58 Q HN 0.202 nan 8.270 nan 0.000 0.511 59 R N 0.695 121.233 120.500 0.064 0.000 2.522 59 R HA -0.049 4.292 4.340 0.002 0.000 0.284 59 R C 0.511 176.840 176.300 0.050 0.000 1.032 59 R CA 0.647 56.765 56.100 0.030 0.000 1.049 59 R CB 0.356 30.646 30.300 -0.016 0.000 0.956 59 R HN 0.271 nan 8.270 nan 0.000 0.422 60 E N 1.423 121.642 120.200 0.031 0.000 2.441 60 E HA 0.073 4.424 4.350 0.002 0.000 0.212 60 E C 0.891 177.506 176.600 0.025 0.000 0.840 60 E CA 0.462 56.883 56.400 0.034 0.000 1.143 60 E CB 0.735 30.453 29.700 0.030 0.000 1.153 60 E HN 0.662 nan 8.360 nan 0.000 0.539 61 A N 0.600 123.426 122.820 0.010 0.000 2.127 61 A HA 0.223 4.544 4.320 0.002 0.000 0.204 61 A C 0.566 178.143 177.584 -0.011 0.000 1.243 61 A CA -0.164 51.874 52.037 0.002 0.000 0.887 61 A CB 0.419 19.416 19.000 -0.005 0.000 0.933 61 A HN 0.127 nan 8.150 nan 0.000 0.479 62 L N 1.416 122.622 121.223 -0.028 0.000 2.272 62 L HA 0.555 4.896 4.340 0.002 0.000 0.289 62 L C -0.781 176.048 176.870 -0.069 0.000 1.032 62 L CA 0.336 55.141 54.840 -0.059 0.000 0.810 62 L CB 1.448 43.454 42.059 -0.088 0.000 1.205 62 L HN 0.040 nan 8.230 nan 0.000 0.422 63 T N 4.734 119.254 114.554 -0.057 0.000 2.767 63 T HA 0.623 4.975 4.350 0.002 0.000 0.284 63 T C -0.707 173.921 174.700 -0.120 0.000 0.973 63 T CA -0.342 61.728 62.100 -0.050 0.000 0.996 63 T CB 1.226 70.123 68.868 0.048 0.000 0.927 63 T HN 0.355 nan 8.240 nan 0.000 0.456 64 V N 4.854 124.662 119.914 -0.177 0.000 2.483 64 V HA 0.414 4.535 4.120 0.002 0.000 0.297 64 V C -0.261 175.737 176.094 -0.160 0.000 1.027 64 V CA -1.194 60.969 62.300 -0.229 0.000 0.855 64 V CB 1.361 32.940 31.823 -0.407 0.000 0.995 64 V HN 0.979 nan 8.190 nan 0.000 0.424 65 N N 2.881 121.481 118.700 -0.167 0.000 2.648 65 N HA -0.106 4.635 4.740 0.002 0.000 0.265 65 N C -2.306 173.100 175.510 -0.174 0.000 1.100 65 N CA 0.366 53.314 53.050 -0.171 0.000 0.715 65 N CB -0.840 37.601 38.487 -0.077 0.000 0.881 65 N HN 0.524 nan 8.380 nan 0.000 0.548 66 P HA 0.189 nan 4.420 nan 0.000 0.269 66 P C -0.323 176.992 177.300 0.026 0.000 1.215 66 P CA -0.153 62.984 63.100 0.061 0.000 0.780 66 P CB 0.800 32.578 31.700 0.129 0.000 0.898 67 A N 2.993 125.962 122.820 0.248 0.000 3.154 67 A HA 0.413 4.734 4.320 0.002 0.000 0.310 67 A C 0.259 177.997 177.584 0.255 0.000 1.093 67 A CA -0.262 51.905 52.037 0.217 0.000 1.006 67 A CB -0.493 18.619 19.000 0.186 0.000 1.084 67 A HN 0.608 nan 8.150 nan 0.000 0.549 68 K N -1.608 118.880 120.400 0.146 0.000 2.607 68 K HA 0.828 5.149 4.320 0.002 0.000 0.287 68 K C -0.566 176.020 176.600 -0.022 0.000 0.996 68 K CA -0.523 55.824 56.287 0.100 0.000 0.876 68 K CB 1.116 33.632 32.500 0.026 0.000 1.496 68 K HN 0.449 nan 8.250 nan 0.000 0.415 69 A N 0.123 122.899 122.820 -0.073 0.000 2.548 69 A HA 0.813 5.134 4.320 0.002 0.000 0.262 69 A C -0.623 176.976 177.584 0.026 0.000 1.271 69 A CA -0.406 51.562 52.037 -0.115 0.000 0.839 69 A CB 0.590 19.429 19.000 -0.268 0.000 1.381 69 A HN 1.140 nan 8.150 nan 0.000 0.468 70 C N -1.590 117.715 119.300 0.010 0.000 2.358 70 C HA 0.575 5.036 4.460 0.002 0.000 0.354 70 C C 1.413 176.415 174.990 0.021 0.000 1.183 70 C CA -0.389 58.647 59.018 0.031 0.000 2.150 70 C CB 0.688 28.463 27.740 0.058 0.000 2.361 70 C HN 0.923 nan 8.230 nan 0.000 0.535 71 Q N 1.775 121.571 119.800 -0.007 0.000 2.082 71 Q HA -0.180 4.162 4.340 0.002 0.000 0.211 71 Q C -0.310 175.667 176.000 -0.038 0.000 1.002 71 Q CA 2.762 58.555 55.803 -0.016 0.000 0.868 71 Q CB -1.284 27.426 28.738 -0.048 0.000 0.931 71 Q HN 0.763 nan 8.270 nan 0.000 0.414 72 P HA -0.167 nan 4.420 nan 0.000 0.221 72 P C 1.482 178.447 177.300 -0.560 0.000 1.145 72 P CA 0.922 63.856 63.100 -0.277 0.000 0.795 72 P CB -0.101 31.472 31.700 -0.213 0.000 0.775 73 L N 0.725 121.597 121.223 -0.585 0.000 2.012 73 L HA -0.077 4.264 4.340 0.002 0.000 0.210 73 L C 2.583 179.610 176.870 0.262 0.000 1.073 73 L CA 2.554 57.205 54.840 -0.315 0.000 0.748 73 L CB -1.611 40.415 42.059 -0.054 0.000 0.891 73 L HN -0.027 nan 8.230 nan 0.000 0.431 74 G N -1.292 107.746 108.800 0.397 0.000 2.421 74 G HA2 -0.266 3.695 3.960 0.002 0.000 0.216 74 G HA3 -0.266 3.695 3.960 0.002 0.000 0.216 74 G C 1.612 176.731 174.900 0.365 0.000 1.171 74 G CA 0.788 46.299 45.100 0.685 0.000 0.775 74 G HN 0.645 nan 8.290 nan 0.000 0.543 75 A N 0.004 122.909 122.820 0.141 0.000 1.978 75 A HA 0.059 4.380 4.320 0.002 0.000 0.220 75 A C 2.578 180.169 177.584 0.013 0.000 1.170 75 A CA 1.892 53.936 52.037 0.012 0.000 0.636 75 A CB -0.459 18.535 19.000 -0.009 0.000 0.810 75 A HN 0.281 nan 8.150 nan 0.000 0.448 76 V N -0.674 119.289 119.914 0.083 0.000 2.323 76 V HA -0.177 3.944 4.120 0.002 0.000 0.244 76 V C 2.414 178.567 176.094 0.100 0.000 1.041 76 V CA 1.727 64.107 62.300 0.134 0.000 1.025 76 V CB -0.710 31.258 31.823 0.241 0.000 0.656 76 V HN 0.567 nan 8.190 nan 0.000 0.451 77 L N -0.188 121.111 121.223 0.127 0.000 2.131 77 L HA -0.160 4.182 4.340 0.002 0.000 0.210 77 L C 2.397 179.268 176.870 0.001 0.000 1.092 77 L CA 2.018 56.816 54.840 -0.071 0.000 0.759 77 L CB -0.755 41.197 42.059 -0.177 0.000 0.903 77 L HN 0.474 nan 8.230 nan 0.000 0.435 78 C N -0.827 118.382 119.300 -0.151 0.000 2.436 78 C HA -0.096 4.366 4.460 0.002 0.000 0.277 78 C C 3.017 178.002 174.990 -0.009 0.000 1.241 78 C CA 0.897 59.622 59.018 -0.488 0.000 1.721 78 C CB -1.263 25.855 27.740 -1.036 0.000 2.043 78 C HN 0.683 nan 8.230 nan 0.000 0.472 79 A N 0.326 123.161 122.820 0.024 0.000 1.908 79 A HA -0.096 4.225 4.320 0.002 0.000 0.218 79 A C 2.143 179.842 177.584 0.193 0.000 1.181 79 A CA 1.843 53.967 52.037 0.144 0.000 0.627 79 A CB -0.824 18.208 19.000 0.054 0.000 0.818 79 A HN 0.700 nan 8.150 nan 0.000 0.445 80 L N -0.586 120.679 121.223 0.071 0.000 2.261 80 L HA -0.148 4.193 4.340 0.002 0.000 0.216 80 L C 2.480 179.321 176.870 -0.049 0.000 1.114 80 L CA 0.769 55.614 54.840 0.010 0.000 0.777 80 L CB -0.510 41.491 42.059 -0.098 0.000 0.910 80 L HN 0.512 nan 8.230 nan 0.000 0.440 81 G N -0.930 107.818 108.800 -0.087 0.000 2.848 81 G HA2 -0.033 3.928 3.960 0.002 0.000 0.208 81 G HA3 -0.033 3.928 3.960 0.002 0.000 0.208 81 G C 0.274 174.897 174.900 -0.461 0.000 1.152 81 G CA -0.194 44.726 45.100 -0.300 0.000 0.789 81 G HN 0.096 nan 8.290 nan 0.000 0.531 82 F N -0.129 119.789 119.950 -0.054 0.000 2.458 82 F HA 0.371 4.899 4.527 0.002 0.000 0.330 82 F C 0.584 176.341 175.800 -0.072 0.000 1.082 82 F CA -1.299 56.665 58.000 -0.061 0.000 0.995 82 F CB 1.480 40.439 39.000 -0.068 0.000 1.170 82 F HN -0.099 nan 8.300 nan 0.000 0.478 83 E N 2.948 123.188 120.200 0.067 0.000 2.415 83 E HA -0.009 4.342 4.350 0.002 0.000 0.260 83 E C -0.262 176.290 176.600 -0.079 0.000 1.016 83 E CA 0.029 56.418 56.400 -0.018 0.000 0.924 83 E CB 0.197 29.871 29.700 -0.042 0.000 0.961 83 E HN 0.546 nan 8.360 nan 0.000 0.459 84 K N 2.352 122.651 120.400 -0.168 0.000 3.278 84 K HA -0.173 4.149 4.320 0.002 0.000 0.270 84 K C -0.966 175.343 176.600 -0.485 0.000 0.955 84 K CA 0.831 56.774 56.287 -0.574 0.000 0.723 84 K CB -1.355 30.844 32.500 -0.501 0.000 1.382 84 K HN 0.451 nan 8.250 nan 0.000 0.461 85 T N 1.049 115.517 114.554 -0.143 0.000 2.797 85 T HA 0.391 4.743 4.350 0.002 0.000 0.279 85 T C -0.046 174.770 174.700 0.194 0.000 0.991 85 T CA -0.783 61.326 62.100 0.016 0.000 0.979 85 T CB 1.210 70.126 68.868 0.079 0.000 0.943 85 T HN 0.054 nan 8.240 nan 0.000 0.444 86 M N 5.632 125.365 119.600 0.221 0.000 2.084 86 M HA 0.327 4.808 4.480 0.002 0.000 0.351 86 M C -2.343 174.084 176.300 0.212 0.000 1.240 86 M CA -3.478 51.991 55.300 0.282 0.000 1.083 86 M CB 0.864 33.655 32.600 0.319 0.000 1.593 86 M HN 0.246 nan 8.290 nan 0.000 0.463 87 P HA 0.062 nan 4.420 nan 0.000 0.268 87 P C -1.615 175.842 177.300 0.261 0.000 1.204 87 P CA 0.269 63.480 63.100 0.184 0.000 0.768 87 P CB 0.204 31.999 31.700 0.158 0.000 0.842 88 Y N 2.510 122.872 120.300 0.103 0.000 2.396 88 Y HA 0.419 4.970 4.550 0.002 0.000 0.332 88 Y C -1.391 174.587 175.900 0.130 0.000 1.034 88 Y CA -0.990 57.181 58.100 0.120 0.000 1.057 88 Y CB 1.764 40.293 38.460 0.116 0.000 1.220 88 Y HN 0.036 nan 8.280 nan 0.000 0.440 89 V N 5.855 125.943 119.914 0.290 0.000 2.326 89 V HA 0.137 4.259 4.120 0.002 0.000 0.281 89 V C -0.454 175.787 176.094 0.245 0.000 1.015 89 V CA -0.684 61.797 62.300 0.301 0.000 0.823 89 V CB 0.679 32.691 31.823 0.315 0.000 1.009 89 V HN 0.812 nan 8.190 nan 0.000 0.436 90 H N 3.939 123.190 119.070 0.302 0.000 3.091 90 H HA 0.524 5.081 4.556 0.002 0.000 0.289 90 H C 0.631 176.050 175.328 0.151 0.000 0.995 90 H CA 1.924 58.127 56.048 0.258 0.000 1.461 90 H CB 0.249 30.162 29.762 0.252 0.000 1.510 90 H HN 0.999 nan 8.280 nan 0.000 0.546 91 G N 2.297 110.963 108.800 -0.223 0.000 2.292 91 G HA2 -0.090 3.871 3.960 0.002 0.000 0.194 91 G HA3 -0.090 3.871 3.960 0.002 0.000 0.194 91 G C -0.870 173.969 174.900 -0.102 0.000 1.329 91 G CA -0.393 44.630 45.100 -0.130 0.000 1.100 91 G HN 0.625 nan 8.290 nan 0.000 0.470 92 S N 0.979 116.653 115.700 -0.044 0.000 2.562 92 S HA 0.304 4.775 4.470 0.002 0.000 0.281 92 S C 1.672 176.216 174.600 -0.093 0.000 1.333 92 S CA 0.674 58.837 58.200 -0.061 0.000 1.052 92 S CB 1.365 64.540 63.200 -0.041 0.000 0.884 92 S HN 0.763 nan 8.310 nan 0.000 0.506 93 Q N 2.699 122.429 119.800 -0.116 0.000 2.245 93 Q HA 0.031 4.372 4.340 0.002 0.000 0.201 93 Q C 1.936 177.810 176.000 -0.211 0.000 0.955 93 Q CA 1.096 56.813 55.803 -0.144 0.000 0.870 93 Q CB -0.516 28.148 28.738 -0.123 0.000 0.945 93 Q HN 0.763 nan 8.270 nan 0.000 0.461 94 G N 1.243 109.899 108.800 -0.239 0.000 2.442 94 G HA2 -0.272 3.689 3.960 0.002 0.000 0.219 94 G HA3 -0.272 3.689 3.960 0.002 0.000 0.219 94 G C 1.408 176.008 174.900 -0.500 0.000 1.141 94 G CA 0.986 45.856 45.100 -0.384 0.000 0.763 94 G HN 0.478 nan 8.290 nan 0.000 0.554 95 C N -0.044 119.025 119.300 -0.385 0.000 2.393 95 C HA -0.067 4.394 4.460 0.002 0.000 0.276 95 C C 3.048 177.371 174.990 -1.112 0.000 1.215 95 C CA 0.885 59.516 59.018 -0.646 0.000 1.743 95 C CB -1.075 26.420 27.740 -0.408 0.000 2.044 95 C HN 0.295 nan 8.230 nan 0.000 0.464 96 V N 1.382 120.952 119.914 -0.574 0.000 2.490 96 V HA -0.201 3.920 4.120 0.002 0.000 0.250 96 V C 2.656 178.637 176.094 -0.190 0.000 1.061 96 V CA 2.082 64.221 62.300 -0.267 0.000 1.064 96 V CB -1.234 30.557 31.823 -0.053 0.000 0.670 96 V HN 0.630 nan 8.190 nan 0.000 0.461 97 A N -1.490 121.183 122.820 -0.246 0.000 1.969 97 A HA -0.188 4.133 4.320 0.002 0.000 0.218 97 A C 2.098 179.659 177.584 -0.039 0.000 1.169 97 A CA 1.519 53.459 52.037 -0.162 0.000 0.635 97 A CB -0.614 18.229 19.000 -0.263 0.000 0.810 97 A HN 0.632 nan 8.150 nan 0.000 0.445 98 Y N -1.983 118.181 120.300 -0.228 0.000 2.286 98 Y HA -0.142 4.409 4.550 0.002 0.000 0.293 98 Y C 2.077 177.970 175.900 -0.011 0.000 1.124 98 Y CA 0.536 58.537 58.100 -0.165 0.000 1.178 98 Y CB -0.106 38.189 38.460 -0.276 0.000 1.010 98 Y HN 0.352 nan 8.280 nan 0.000 0.536 99 F N -0.173 119.909 119.950 0.220 0.000 2.259 99 F HA -0.096 4.433 4.527 0.002 0.000 0.298 99 F C 2.212 178.175 175.800 0.272 0.000 1.088 99 F CA 0.639 58.742 58.000 0.170 0.000 1.358 99 F CB -0.856 38.257 39.000 0.189 0.000 1.040 99 F HN -0.087 nan 8.300 nan 0.000 0.505 100 R N -0.002 120.739 120.500 0.403 0.000 2.057 100 R HA -0.072 4.270 4.340 0.002 0.000 0.229 100 R C 2.346 178.838 176.300 0.319 0.000 1.136 100 R CA 1.508 57.818 56.100 0.349 0.000 0.952 100 R CB -0.869 29.552 30.300 0.202 0.000 0.848 100 R HN 0.193 nan 8.270 nan 0.000 0.430 101 S N 0.490 116.338 115.700 0.246 0.000 2.370 101 S HA -0.190 4.281 4.470 0.002 0.000 0.226 101 S C 1.685 176.417 174.600 0.220 0.000 1.033 101 S CA 1.261 59.574 58.200 0.188 0.000 1.011 101 S CB -0.427 62.873 63.200 0.167 0.000 0.852 101 S HN 0.323 nan 8.310 nan 0.000 0.457 102 Y N 0.929 121.317 120.300 0.146 0.000 2.145 102 Y HA -0.124 4.428 4.550 0.002 0.000 0.286 102 Y C 1.849 177.964 175.900 0.359 0.000 1.145 102 Y CA 1.182 59.389 58.100 0.179 0.000 1.148 102 Y CB -0.410 38.123 38.460 0.121 0.000 0.981 102 Y HN 0.196 nan 8.280 nan 0.000 0.507 103 F N 0.009 120.286 119.950 0.545 0.000 2.293 103 F HA -0.132 4.397 4.527 0.002 0.000 0.297 103 F C 2.167 178.222 175.800 0.426 0.000 1.089 103 F CA 0.774 59.104 58.000 0.550 0.000 1.377 103 F CB -0.869 38.466 39.000 0.559 0.000 1.051 103 F HN 0.083 nan 8.300 nan 0.000 0.511 104 N N 0.474 119.438 118.700 0.440 0.000 2.069 104 N HA -0.156 4.586 4.740 0.002 0.000 0.191 104 N C 1.992 177.573 175.510 0.118 0.000 1.031 104 N CA 1.174 54.366 53.050 0.237 0.000 0.852 104 N CB -0.351 38.212 38.487 0.127 0.000 1.018 104 N HN 0.281 nan 8.380 nan 0.000 0.423 105 R N -0.438 120.067 120.500 0.008 0.000 2.115 105 R HA -0.098 4.243 4.340 0.002 0.000 0.230 105 R C 1.960 178.270 176.300 0.018 0.000 1.111 105 R CA 0.923 56.914 56.100 -0.182 0.000 0.976 105 R CB -0.377 29.482 30.300 -0.735 0.000 0.870 105 R HN 0.428 nan 8.270 nan 0.000 0.445 106 H N -0.090 119.069 119.070 0.148 0.000 2.333 106 H HA -0.040 4.518 4.556 0.002 0.000 0.302 106 H C 1.337 176.452 175.328 -0.355 0.000 1.075 106 H CA 1.668 57.674 56.048 -0.070 0.000 1.348 106 H CB -0.056 29.604 29.762 -0.170 0.000 1.393 106 H HN 0.071 nan 8.280 nan 0.000 0.509 107 F N -0.016 119.833 119.950 -0.169 0.000 2.664 107 F HA 0.212 4.740 4.527 0.002 0.000 0.296 107 F C 0.705 176.160 175.800 -0.575 0.000 1.125 107 F CA 0.238 57.890 58.000 -0.581 0.000 1.444 107 F CB 0.259 39.158 39.000 -0.168 0.000 1.114 107 F HN -0.062 nan 8.300 nan 0.000 0.576 108 R N 1.571 121.994 120.500 -0.128 0.000 3.251 108 R HA -0.172 4.170 4.340 0.002 0.000 0.249 108 R C -0.927 175.395 176.300 0.037 0.000 0.949 108 R CA 0.419 56.477 56.100 -0.070 0.000 0.645 108 R CB -1.732 28.487 30.300 -0.135 0.000 1.065 108 R HN 0.275 nan 8.270 nan 0.000 0.452 109 E N -0.757 119.494 120.200 0.086 0.000 2.446 109 E HA 0.374 4.726 4.350 0.002 0.000 0.276 109 E C -2.631 174.025 176.600 0.093 0.000 0.969 109 E CA -2.271 54.184 56.400 0.093 0.000 0.800 109 E CB 1.765 31.513 29.700 0.080 0.000 1.341 109 E HN -0.154 nan 8.360 nan 0.000 0.460 110 P HA 0.112 nan 4.420 nan 0.000 0.268 110 P C -0.778 176.584 177.300 0.103 0.000 1.204 110 P CA -0.116 63.039 63.100 0.093 0.000 0.768 110 P CB 0.488 32.290 31.700 0.170 0.000 0.842 111 V N 3.555 123.536 119.914 0.112 0.000 2.349 111 V HA 0.217 4.338 4.120 0.002 0.000 0.284 111 V C -0.063 176.095 176.094 0.106 0.000 1.014 111 V CA -0.300 62.076 62.300 0.126 0.000 0.826 111 V CB 1.484 33.456 31.823 0.249 0.000 1.009 111 V HN 0.447 nan 8.190 nan 0.000 0.431 112 S N 3.576 119.315 115.700 0.066 0.000 2.499 112 S HA 0.676 5.147 4.470 0.002 0.000 0.279 112 S C -0.416 174.213 174.600 0.047 0.000 1.219 112 S CA -0.440 57.770 58.200 0.016 0.000 1.062 112 S CB 1.203 64.371 63.200 -0.053 0.000 0.978 112 S HN 0.944 nan 8.310 nan 0.000 0.489 113 C N 3.836 123.154 119.300 0.031 0.000 3.199 113 C HA 0.642 5.103 4.460 0.002 0.000 0.392 113 C C -0.956 174.049 174.990 0.025 0.000 1.050 113 C CA -0.552 58.518 59.018 0.087 0.000 1.222 113 C CB -0.045 27.810 27.740 0.192 0.000 1.595 113 C HN 0.873 nan 8.230 nan 0.000 0.560 114 V N 2.631 122.554 119.914 0.015 0.000 3.103 114 V HA 0.977 5.098 4.120 0.002 0.000 0.318 114 V C -0.182 175.802 176.094 -0.182 0.000 1.114 114 V CA -0.235 62.013 62.300 -0.086 0.000 1.020 114 V CB 1.694 33.456 31.823 -0.101 0.000 1.085 114 V HN 1.136 nan 8.190 nan 0.000 0.446 115 S N -0.110 115.443 115.700 -0.245 0.000 2.600 115 S HA 0.578 5.049 4.470 0.002 0.000 0.300 115 S C -0.334 174.031 174.600 -0.392 0.000 1.087 115 S CA 0.009 58.032 58.200 -0.296 0.000 0.965 115 S CB 1.769 64.875 63.200 -0.157 0.000 1.089 115 S HN 1.107 nan 8.310 nan 0.000 0.496 116 D N 0.601 120.778 120.400 -0.371 0.000 2.388 116 D HA 0.192 4.833 4.640 0.002 0.000 0.221 116 D C -0.037 176.188 176.300 -0.125 0.000 1.133 116 D CA -0.216 53.656 54.000 -0.214 0.000 0.831 116 D CB -0.447 40.322 40.800 -0.051 0.000 0.962 116 D HN 0.366 nan 8.370 nan 0.000 0.502 117 S N -0.143 115.478 115.700 -0.130 0.000 3.524 117 S HA -0.257 4.214 4.470 0.002 0.000 0.377 117 S C 0.239 174.793 174.600 -0.076 0.000 0.949 117 S CA 0.144 58.288 58.200 -0.094 0.000 1.264 117 S CB -1.887 61.270 63.200 -0.071 0.000 0.918 117 S HN 0.529 nan 8.310 nan 0.000 0.517 118 M N 2.157 121.701 119.600 -0.094 0.000 2.227 118 M HA 0.153 4.634 4.480 0.002 0.000 0.349 118 M C 1.346 177.622 176.300 -0.040 0.000 1.443 118 M CA 0.185 55.444 55.300 -0.069 0.000 1.110 118 M CB 0.520 33.061 32.600 -0.099 0.000 1.773 118 M HN 0.619 nan 8.290 nan 0.000 0.463 119 T N -0.841 113.702 114.554 -0.018 0.000 2.920 119 T HA 0.290 4.641 4.350 0.002 0.000 0.292 119 T C 0.905 175.610 174.700 0.009 0.000 1.093 119 T CA -0.654 61.441 62.100 -0.008 0.000 0.944 119 T CB 0.575 69.441 68.868 -0.003 0.000 1.605 119 T HN 0.667 nan 8.240 nan 0.000 0.590 120 E N 0.478 120.686 120.200 0.014 0.000 2.150 120 E HA -0.119 4.232 4.350 0.002 0.000 0.193 120 E C 1.785 178.411 176.600 0.043 0.000 0.985 120 E CA 0.991 57.404 56.400 0.021 0.000 0.814 120 E CB -0.114 29.596 29.700 0.018 0.000 0.752 120 E HN 0.544 nan 8.360 nan 0.000 0.466 121 D N 0.972 121.411 120.400 0.066 0.000 2.123 121 D HA -0.158 4.483 4.640 0.002 0.000 0.196 121 D C 1.947 178.342 176.300 0.159 0.000 0.992 121 D CA 1.258 55.337 54.000 0.132 0.000 0.833 121 D CB -0.128 40.739 40.800 0.112 0.000 0.954 121 D HN 0.149 nan 8.370 nan 0.000 0.455 122 A N 1.260 124.140 122.820 0.100 0.000 1.972 122 A HA -0.039 4.283 4.320 0.002 0.000 0.219 122 A C 2.351 179.986 177.584 0.084 0.000 1.169 122 A CA 1.898 53.997 52.037 0.103 0.000 0.635 122 A CB -0.525 18.514 19.000 0.065 0.000 0.810 122 A HN 0.239 nan 8.150 nan 0.000 0.446 123 A N -0.124 122.722 122.820 0.043 0.000 1.940 123 A HA -0.033 4.288 4.320 0.002 0.000 0.219 123 A C 2.184 179.733 177.584 -0.058 0.000 1.176 123 A CA 2.231 54.273 52.037 0.009 0.000 0.631 123 A CB -0.934 18.065 19.000 -0.002 0.000 0.814 123 A HN 1.110 nan 8.150 nan 0.000 0.446 124 V N -6.104 113.727 119.914 -0.138 0.000 3.174 124 V HA 0.283 4.404 4.120 0.002 0.000 0.254 124 V C 1.427 177.103 176.094 -0.696 0.000 1.120 124 V CA 0.796 62.843 62.300 -0.421 0.000 1.114 124 V CB -0.701 30.791 31.823 -0.551 0.000 0.756 124 V HN 0.356 nan 8.190 nan 0.000 0.467 125 F N 1.596 121.569 119.950 0.039 0.000 2.775 125 F HA 0.726 5.254 4.527 0.002 0.000 0.313 125 F C 1.292 177.124 175.800 0.054 0.000 1.121 125 F CA 0.122 58.144 58.000 0.036 0.000 1.206 125 F CB 0.757 39.764 39.000 0.013 0.000 1.052 125 F HN 0.404 nan 8.300 nan 0.000 0.524 126 G N 0.451 109.364 108.800 0.188 0.000 2.755 126 G HA2 -0.063 3.898 3.960 0.002 0.000 0.686 126 G HA3 -0.063 3.898 3.960 0.002 0.000 0.686 126 G C 0.687 175.715 174.900 0.213 0.000 1.427 126 G CA -0.491 44.762 45.100 0.256 0.000 0.873 126 G HN 0.542 nan 8.290 nan 0.000 0.580 127 G N -0.376 108.636 108.800 0.353 0.000 3.314 127 G HA2 0.332 4.293 3.960 0.002 0.000 0.238 127 G HA3 0.332 4.293 3.960 0.002 0.000 0.238 127 G C 1.189 176.136 174.900 0.077 0.000 1.184 127 G CA 1.276 46.533 45.100 0.260 0.000 0.806 127 G HN 0.966 nan 8.290 nan 0.000 0.536 128 Q N 0.568 120.058 119.800 -0.518 0.000 2.133 128 Q HA -0.225 4.117 4.340 0.002 0.000 0.208 128 Q C 2.332 178.034 176.000 -0.497 0.000 0.991 128 Q CA 2.074 57.201 55.803 -1.127 0.000 0.867 128 Q CB -0.215 27.835 28.738 -1.147 0.000 0.911 128 Q HN 0.445 nan 8.270 nan 0.000 0.417 129 Q N -0.352 119.273 119.800 -0.292 0.000 2.230 129 Q HA -0.025 4.316 4.340 0.002 0.000 0.202 129 Q C 1.215 177.115 176.000 -0.166 0.000 0.963 129 Q CA 1.672 57.333 55.803 -0.237 0.000 0.866 129 Q CB -0.079 28.570 28.738 -0.149 0.000 0.931 129 Q HN 0.598 nan 8.270 nan 0.000 0.452 130 N N -0.987 117.673 118.700 -0.068 0.000 2.188 130 N HA -0.107 4.634 4.740 0.002 0.000 0.184 130 N C 1.225 176.797 175.510 0.103 0.000 1.018 130 N CA 1.302 54.358 53.050 0.010 0.000 0.858 130 N CB -0.133 38.361 38.487 0.011 0.000 0.989 130 N HN 0.211 nan 8.380 nan 0.000 0.426 131 M N 1.133 120.816 119.600 0.139 0.000 2.099 131 M HA -0.021 4.460 4.480 0.002 0.000 0.262 131 M C 1.475 177.757 176.300 -0.030 0.000 1.067 131 M CA 1.609 57.015 55.300 0.176 0.000 1.124 131 M CB -0.020 32.654 32.600 0.123 0.000 1.353 131 M HN -0.080 nan 8.290 nan 0.000 0.410 132 K N -0.088 120.150 120.400 -0.269 0.000 2.009 132 K HA -0.179 4.142 4.320 0.002 0.000 0.210 132 K C 1.751 178.078 176.600 -0.456 0.000 1.049 132 K CA 1.772 57.686 56.287 -0.622 0.000 0.929 132 K CB -0.438 31.318 32.500 -1.239 0.000 0.714 132 K HN 0.379 nan 8.250 nan 0.000 0.440 133 D N -0.163 120.074 120.400 -0.273 0.000 2.097 133 D HA -0.089 4.552 4.640 0.002 0.000 0.197 133 D C 1.997 178.351 176.300 0.089 0.000 0.984 133 D CA 1.311 55.305 54.000 -0.010 0.000 0.826 133 D CB -0.574 40.230 40.800 0.007 0.000 0.973 133 D HN 0.336 nan 8.370 nan 0.000 0.460 134 G N 1.381 110.253 108.800 0.120 0.000 2.553 134 G HA2 -0.256 3.705 3.960 0.002 0.000 0.218 134 G HA3 -0.256 3.705 3.960 0.002 0.000 0.218 134 G C 1.797 176.934 174.900 0.394 0.000 1.195 134 G CA 0.746 46.000 45.100 0.257 0.000 0.779 134 G HN 0.267 nan 8.290 nan 0.000 0.577 135 L N -0.017 121.394 121.223 0.313 0.000 2.083 135 L HA -0.084 4.258 4.340 0.002 0.000 0.209 135 L C 2.954 179.891 176.870 0.112 0.000 1.083 135 L CA 1.476 56.424 54.840 0.179 0.000 0.752 135 L CB -0.469 41.597 42.059 0.012 0.000 0.899 135 L HN 0.345 nan 8.230 nan 0.000 0.433 136 Q N 0.283 120.158 119.800 0.125 0.000 2.046 136 Q HA -0.187 4.154 4.340 0.002 0.000 0.200 136 Q C 2.015 178.057 176.000 0.070 0.000 0.975 136 Q CA 1.453 57.318 55.803 0.103 0.000 0.836 136 Q CB 0.112 28.993 28.738 0.238 0.000 0.896 136 Q HN 0.506 nan 8.270 nan 0.000 0.428 137 N N 0.332 119.096 118.700 0.107 0.000 2.142 137 N HA -0.159 4.583 4.740 0.002 0.000 0.186 137 N C 1.971 177.541 175.510 0.101 0.000 1.023 137 N CA 1.222 54.321 53.050 0.082 0.000 0.852 137 N CB -0.776 37.767 38.487 0.092 0.000 0.998 137 N HN 0.334 nan 8.380 nan 0.000 0.424 138 C N 2.055 121.469 119.300 0.190 0.000 2.413 138 C HA -0.050 4.411 4.460 0.002 0.000 0.276 138 C C 2.687 177.811 174.990 0.222 0.000 1.236 138 C CA 0.821 60.019 59.018 0.300 0.000 1.735 138 C CB -0.811 27.162 27.740 0.387 0.000 2.031 138 C HN 0.325 nan 8.230 nan 0.000 0.474 139 K N 0.877 121.322 120.400 0.075 0.000 2.074 139 K HA -0.131 4.190 4.320 0.002 0.000 0.209 139 K C 2.066 178.646 176.600 -0.033 0.000 1.048 139 K CA 2.156 58.397 56.287 -0.078 0.000 0.926 139 K CB -0.619 31.658 32.500 -0.372 0.000 0.713 139 K HN 0.573 nan 8.250 nan 0.000 0.444 140 A N -0.242 122.557 122.820 -0.035 0.000 1.975 140 A HA -0.028 4.293 4.320 0.002 0.000 0.215 140 A C 2.120 179.661 177.584 -0.071 0.000 1.170 140 A CA 1.623 53.634 52.037 -0.045 0.000 0.656 140 A CB -0.384 18.588 19.000 -0.046 0.000 0.821 140 A HN 0.396 nan 8.150 nan 0.000 0.449 141 T N -1.848 112.626 114.554 -0.134 0.000 2.937 141 T HA 0.031 4.383 4.350 0.002 0.000 0.260 141 T C 1.041 175.414 174.700 -0.545 0.000 1.051 141 T CA 1.134 62.999 62.100 -0.392 0.000 1.141 141 T CB -0.265 68.248 68.868 -0.593 0.000 0.879 141 T HN 0.595 nan 8.240 nan 0.000 0.459 142 Y N 0.191 120.566 120.300 0.125 0.000 2.481 142 Y HA 0.395 4.946 4.550 0.002 0.000 0.247 142 Y C 0.376 176.439 175.900 0.271 0.000 1.151 142 Y CA -0.839 57.371 58.100 0.184 0.000 1.238 142 Y CB 0.358 38.942 38.460 0.207 0.000 1.179 142 Y HN -0.122 nan 8.280 nan 0.000 0.524 143 K N 1.117 121.671 120.400 0.256 0.000 3.540 143 K HA -0.184 4.137 4.320 0.002 0.000 0.274 143 K C -2.927 173.795 176.600 0.202 0.000 0.890 143 K CA 0.220 56.626 56.287 0.199 0.000 0.701 143 K CB -1.118 31.476 32.500 0.157 0.000 1.523 143 K HN 0.292 nan 8.250 nan 0.000 0.450 144 P HA 0.180 nan 4.420 nan 0.000 0.284 144 P C -0.305 177.094 177.300 0.165 0.000 1.253 144 P CA -0.396 62.730 63.100 0.044 0.000 0.800 144 P CB 1.233 33.045 31.700 0.186 0.000 0.961 145 D N 1.075 121.453 120.400 -0.036 0.000 2.312 145 D HA 0.062 4.703 4.640 0.002 0.000 0.211 145 D C 0.771 176.946 176.300 -0.207 0.000 0.964 145 D CA 1.388 55.383 54.000 -0.009 0.000 0.877 145 D CB 0.206 40.957 40.800 -0.082 0.000 0.924 145 D HN 0.353 nan 8.370 nan 0.000 0.515 146 M N 0.057 119.546 119.600 -0.185 0.000 2.520 146 M HA 0.388 4.869 4.480 0.002 0.000 0.283 146 M C -1.944 174.300 176.300 -0.094 0.000 1.237 146 M CA -0.580 54.517 55.300 -0.337 0.000 0.885 146 M CB 2.705 35.177 32.600 -0.214 0.000 1.727 146 M HN -0.333 nan 8.290 nan 0.000 0.468 147 I N 2.431 122.930 120.570 -0.118 0.000 2.478 147 I HA 0.532 4.703 4.170 0.002 0.000 0.287 147 I C -0.637 175.414 176.117 -0.111 0.000 1.042 147 I CA -0.637 60.684 61.300 0.036 0.000 1.067 147 I CB 2.100 40.209 38.000 0.181 0.000 1.233 147 I HN 0.759 nan 8.210 nan 0.000 0.431 148 A N 6.958 129.741 122.820 -0.062 0.000 2.256 148 A HA 0.685 5.006 4.320 0.002 0.000 0.317 148 A C -0.569 177.003 177.584 -0.021 0.000 1.318 148 A CA -0.455 51.510 52.037 -0.120 0.000 0.894 148 A CB 0.699 19.610 19.000 -0.148 0.000 1.165 148 A HN 0.430 nan 8.150 nan 0.000 0.525 149 V N 3.346 123.226 119.914 -0.057 0.000 2.465 149 V HA 0.537 4.659 4.120 0.002 0.000 0.279 149 V C 0.614 176.740 176.094 0.054 0.000 1.045 149 V CA 0.285 62.599 62.300 0.022 0.000 0.938 149 V CB 0.970 32.727 31.823 -0.111 0.000 0.986 149 V HN 1.093 nan 8.190 nan 0.000 0.467 150 S N 3.081 118.854 115.700 0.122 0.000 2.841 150 S HA 0.899 5.371 4.470 0.002 0.000 0.318 150 S C -0.291 174.390 174.600 0.135 0.000 1.127 150 S CA -0.457 57.790 58.200 0.079 0.000 0.883 150 S CB 2.228 65.462 63.200 0.056 0.000 1.271 150 S HN 0.840 nan 8.310 nan 0.000 0.567 151 T N -1.242 113.377 114.554 0.109 0.000 2.896 151 T HA 0.756 5.107 4.350 0.002 0.000 0.297 151 T C -0.162 174.627 174.700 0.149 0.000 1.108 151 T CA -0.490 61.702 62.100 0.153 0.000 1.004 151 T CB 1.185 70.125 68.868 0.120 0.000 1.159 151 T HN 1.043 nan 8.240 nan 0.000 0.499 152 T N -1.685 112.972 114.554 0.172 0.000 2.936 152 T HA 0.354 4.706 4.350 0.002 0.000 0.282 152 T C 1.746 176.531 174.700 0.142 0.000 1.003 152 T CA -0.370 61.833 62.100 0.172 0.000 1.005 152 T CB 0.415 69.381 68.868 0.163 0.000 1.097 152 T HN 0.931 nan 8.240 nan 0.000 0.532 153 C N 0.950 120.342 119.300 0.153 0.000 2.401 153 C HA -0.100 4.361 4.460 0.002 0.000 0.276 153 C C 2.730 177.856 174.990 0.228 0.000 1.233 153 C CA 0.730 59.886 59.018 0.230 0.000 1.753 153 C CB -1.722 26.199 27.740 0.302 0.000 2.029 153 C HN 0.918 nan 8.230 nan 0.000 0.478 154 M N 1.986 121.677 119.600 0.153 0.000 2.073 154 M HA -0.218 4.264 4.480 0.002 0.000 0.258 154 M C 2.481 178.862 176.300 0.136 0.000 1.070 154 M CA 2.571 57.942 55.300 0.118 0.000 1.103 154 M CB -0.493 32.150 32.600 0.071 0.000 1.321 154 M HN 0.453 nan 8.290 nan 0.000 0.405 155 A N -0.349 122.562 122.820 0.151 0.000 2.015 155 A HA -0.138 4.183 4.320 0.002 0.000 0.219 155 A C 1.849 179.554 177.584 0.201 0.000 1.163 155 A CA 1.453 53.612 52.037 0.202 0.000 0.646 155 A CB -0.513 18.667 19.000 0.300 0.000 0.806 155 A HN 0.576 nan 8.150 nan 0.000 0.448 156 E N -0.276 120.051 120.200 0.211 0.000 2.051 156 E HA -0.054 4.297 4.350 0.002 0.000 0.189 156 E C 2.227 178.984 176.600 0.261 0.000 0.979 156 E CA 1.132 57.677 56.400 0.241 0.000 0.803 156 E CB -0.511 29.329 29.700 0.233 0.000 0.761 156 E HN 0.361 nan 8.360 nan 0.000 0.451 157 V N 2.493 122.565 119.914 0.263 0.000 2.343 157 V HA -0.210 3.911 4.120 0.002 0.000 0.247 157 V C 2.396 178.544 176.094 0.091 0.000 1.051 157 V CA 1.756 64.146 62.300 0.149 0.000 1.036 157 V CB -0.652 31.229 31.823 0.095 0.000 0.654 157 V HN 0.337 nan 8.190 nan 0.000 0.451 158 I N -1.014 119.614 120.570 0.096 0.000 3.735 158 I HA 0.451 4.622 4.170 0.002 0.000 0.310 158 I C 1.242 177.402 176.117 0.072 0.000 1.270 158 I CA 0.572 61.915 61.300 0.071 0.000 1.207 158 I CB -0.790 37.254 38.000 0.073 0.000 1.013 158 I HN 0.293 nan 8.210 nan 0.000 0.452 159 G N 2.074 110.920 108.800 0.077 0.000 2.350 159 G HA2 -0.259 3.703 3.960 0.002 0.000 0.298 159 G HA3 -0.259 3.703 3.960 0.002 0.000 0.298 159 G C -0.546 174.341 174.900 -0.021 0.000 1.037 159 G CA 0.270 45.391 45.100 0.036 0.000 1.074 159 G HN 0.557 nan 8.290 nan 0.000 0.511 160 D N 0.326 120.706 120.400 -0.032 0.000 2.383 160 D HA 0.329 4.971 4.640 0.002 0.000 0.252 160 D C 0.392 176.386 176.300 -0.511 0.000 1.166 160 D CA -0.014 53.796 54.000 -0.317 0.000 0.879 160 D CB 1.026 41.733 40.800 -0.155 0.000 1.164 160 D HN 0.241 nan 8.370 nan 0.000 0.462 161 D N 2.976 122.901 120.400 -0.792 0.000 2.352 161 D HA 0.036 4.677 4.640 0.002 0.000 0.245 161 D C 1.240 177.037 176.300 -0.837 0.000 1.224 161 D CA -0.186 53.492 54.000 -0.537 0.000 0.879 161 D CB 0.586 41.185 40.800 -0.335 0.000 1.057 161 D HN 0.315 nan 8.370 nan 0.000 0.491 162 L N 3.597 124.461 121.223 -0.598 0.000 2.012 162 L HA -0.209 4.132 4.340 0.002 0.000 0.210 162 L C 2.093 178.464 176.870 -0.831 0.000 1.073 162 L CA 0.925 55.298 54.840 -0.778 0.000 0.748 162 L CB -0.467 41.051 42.059 -0.903 0.000 0.891 162 L HN 0.424 nan 8.230 nan 0.000 0.431 163 N N 0.218 118.361 118.700 -0.928 0.000 2.069 163 N HA -0.201 4.540 4.740 0.002 0.000 0.191 163 N C 1.755 177.074 175.510 -0.318 0.000 1.031 163 N CA 1.863 54.450 53.050 -0.771 0.000 0.852 163 N CB -0.113 38.166 38.487 -0.346 0.000 1.018 163 N HN 0.305 nan 8.380 nan 0.000 0.423 164 A N -0.241 122.465 122.820 -0.189 0.000 1.877 164 A HA -0.061 4.260 4.320 0.002 0.000 0.216 164 A C 2.002 179.655 177.584 0.115 0.000 1.186 164 A CA 1.174 53.206 52.037 -0.008 0.000 0.620 164 A CB -1.076 17.960 19.000 0.059 0.000 0.822 164 A HN 0.336 nan 8.150 nan 0.000 0.443 165 F N 0.065 119.902 119.950 -0.189 0.000 2.154 165 F HA -0.160 4.368 4.527 0.002 0.000 0.301 165 F C 2.176 177.868 175.800 -0.180 0.000 1.087 165 F CA 0.630 58.522 58.000 -0.180 0.000 1.274 165 F CB -0.907 37.952 39.000 -0.236 0.000 1.009 165 F HN 0.143 nan 8.300 nan 0.000 0.485 166 I N -0.312 120.235 120.570 -0.038 0.000 2.286 166 I HA -0.283 3.888 4.170 0.002 0.000 0.245 166 I C 1.888 177.996 176.117 -0.014 0.000 1.104 166 I CA 1.229 62.486 61.300 -0.072 0.000 1.397 166 I CB -0.503 37.401 38.000 -0.161 0.000 1.072 166 I HN 0.140 nan 8.210 nan 0.000 0.417 167 N N 0.864 119.556 118.700 -0.013 0.000 2.188 167 N HA -0.164 4.577 4.740 0.002 0.000 0.184 167 N C 1.386 176.917 175.510 0.035 0.000 1.018 167 N CA 1.202 54.264 53.050 0.020 0.000 0.858 167 N CB -0.129 38.367 38.487 0.014 0.000 0.989 167 N HN 0.305 nan 8.380 nan 0.000 0.426 168 N N -0.121 118.597 118.700 0.030 0.000 2.331 168 N HA -0.087 4.654 4.740 0.002 0.000 0.180 168 N C 1.667 177.203 175.510 0.044 0.000 1.019 168 N CA 0.912 53.980 53.050 0.030 0.000 0.881 168 N CB -0.024 38.463 38.487 -0.001 0.000 0.972 168 N HN 0.238 nan 8.380 nan 0.000 0.435 169 S N -0.276 115.438 115.700 0.023 0.000 2.470 169 S HA 0.104 4.575 4.470 0.002 0.000 0.225 169 S C 1.630 176.338 174.600 0.179 0.000 1.006 169 S CA 0.392 58.632 58.200 0.066 0.000 0.934 169 S CB 0.086 63.254 63.200 -0.053 0.000 0.778 169 S HN 0.120 nan 8.310 nan 0.000 0.517 170 K N 1.322 121.791 120.400 0.114 0.000 2.076 170 K HA 0.096 4.417 4.320 0.002 0.000 0.204 170 K C 2.188 178.847 176.600 0.098 0.000 1.051 170 K CA 1.036 57.389 56.287 0.111 0.000 0.949 170 K CB -0.071 32.484 32.500 0.092 0.000 0.726 170 K HN 0.327 nan 8.250 nan 0.000 0.443 171 K N 0.955 121.408 120.400 0.088 0.000 2.026 171 K HA -0.157 4.164 4.320 0.002 0.000 0.208 171 K C 1.806 178.453 176.600 0.079 0.000 1.048 171 K CA 1.450 57.779 56.287 0.070 0.000 0.929 171 K CB -0.005 32.530 32.500 0.058 0.000 0.713 171 K HN -0.004 nan 8.250 nan 0.000 0.439 172 E N -0.639 119.646 120.200 0.141 0.000 2.516 172 E HA -0.008 4.343 4.350 0.002 0.000 0.199 172 E C 0.672 177.288 176.600 0.026 0.000 1.069 172 E CA 0.690 57.182 56.400 0.153 0.000 0.876 172 E CB 0.264 30.193 29.700 0.381 0.000 0.843 172 E HN 0.495 nan 8.360 nan 0.000 0.530 173 G N -0.695 108.136 108.800 0.051 0.000 2.143 173 G HA2 -0.318 3.643 3.960 0.002 0.000 0.249 173 G HA3 -0.318 3.643 3.960 0.002 0.000 0.249 173 G C 0.651 175.480 174.900 -0.118 0.000 0.981 173 G CA 0.277 45.345 45.100 -0.054 0.000 0.665 173 G HN 0.330 nan 8.290 nan 0.000 0.528 174 F N 0.604 120.542 119.950 -0.020 0.000 2.186 174 F HA 0.267 4.795 4.527 0.002 0.000 0.299 174 F C 1.803 177.572 175.800 -0.052 0.000 1.090 174 F CA 1.650 59.633 58.000 -0.029 0.000 1.307 174 F CB 0.021 39.009 39.000 -0.019 0.000 1.019 174 F HN 0.453 nan 8.300 nan 0.000 0.489 175 I N -4.003 116.646 120.570 0.132 0.000 2.828 175 I HA 0.504 4.675 4.170 0.002 0.000 0.302 175 I C -2.874 173.272 176.117 0.049 0.000 1.101 175 I CA -2.845 58.461 61.300 0.010 0.000 1.031 175 I CB 1.571 39.566 38.000 -0.008 0.000 1.231 175 I HN -0.409 nan 8.210 nan 0.000 0.427 176 P HA 0.042 nan 4.420 nan 0.000 0.266 176 P C -0.208 177.180 177.300 0.147 0.000 1.195 176 P CA 0.247 63.404 63.100 0.095 0.000 0.768 176 P CB 0.562 32.331 31.700 0.116 0.000 0.838 177 D N 1.362 121.826 120.400 0.105 0.000 2.263 177 D HA -0.170 4.472 4.640 0.002 0.000 0.208 177 D C 0.360 176.728 176.300 0.113 0.000 0.971 177 D CA 1.160 55.219 54.000 0.098 0.000 0.867 177 D CB 0.205 41.042 40.800 0.063 0.000 0.929 177 D HN 0.460 nan 8.370 nan 0.000 0.492 178 E N -0.919 119.360 120.200 0.132 0.000 3.157 178 E HA 0.155 4.506 4.350 0.002 0.000 0.203 178 E C -0.658 176.034 176.600 0.154 0.000 0.982 178 E CA -0.553 55.921 56.400 0.124 0.000 1.217 178 E CB -0.478 29.266 29.700 0.074 0.000 1.123 178 E HN 0.135 nan 8.360 nan 0.000 0.457 179 F N 2.707 122.697 119.950 0.067 0.000 2.467 179 F HA 0.399 4.927 4.527 0.002 0.000 0.362 179 F C -2.263 173.559 175.800 0.036 0.000 1.090 179 F CA -2.991 55.038 58.000 0.048 0.000 1.202 179 F CB 0.859 39.877 39.000 0.029 0.000 1.113 179 F HN -0.111 nan 8.300 nan 0.000 0.541 180 P HA 0.142 nan 4.420 nan 0.000 0.275 180 P C -1.102 175.725 177.300 -0.788 0.000 1.276 180 P CA 0.092 62.789 63.100 -0.671 0.000 0.782 180 P CB 0.793 32.218 31.700 -0.459 0.000 0.851 181 V N 6.522 125.987 119.914 -0.748 0.000 2.383 181 V HA 0.233 4.354 4.120 0.002 0.000 0.261 181 V C -1.993 173.748 176.094 -0.589 0.000 0.987 181 V CA -1.770 60.243 62.300 -0.479 0.000 0.853 181 V CB 1.066 32.807 31.823 -0.137 0.000 1.095 181 V HN 0.479 nan 8.190 nan 0.000 0.461 182 P HA 0.349 nan 4.420 nan 0.000 0.271 182 P C -0.831 176.333 177.300 -0.225 0.000 1.218 182 P CA 0.132 62.897 63.100 -0.559 0.000 0.780 182 P CB 1.099 32.412 31.700 -0.646 0.000 0.901 183 F N -0.763 119.030 119.950 -0.261 0.000 2.664 183 F HA 0.877 5.405 4.527 0.002 0.000 0.317 183 F C -1.664 174.024 175.800 -0.186 0.000 1.108 183 F CA -1.504 56.361 58.000 -0.224 0.000 0.957 183 F CB 1.307 40.169 39.000 -0.229 0.000 1.365 183 F HN 0.508 nan 8.300 nan 0.000 0.475 184 A N 0.721 123.529 122.820 -0.021 0.000 2.540 184 A HA 0.480 4.801 4.320 0.002 0.000 0.297 184 A C -1.969 175.620 177.584 0.008 0.000 1.056 184 A CA -0.661 51.346 52.037 -0.050 0.000 0.700 184 A CB 0.796 19.742 19.000 -0.090 0.000 1.280 184 A HN 0.928 nan 8.150 nan 0.000 0.398 185 H N 2.415 121.529 119.070 0.074 0.000 2.782 185 H HA 0.316 4.873 4.556 0.002 0.000 0.285 185 H C 0.011 175.334 175.328 -0.008 0.000 1.093 185 H CA 1.057 57.130 56.048 0.042 0.000 1.410 185 H CB 0.882 30.663 29.762 0.032 0.000 1.439 185 H HN 0.651 nan 8.280 nan 0.000 0.469 186 T N 2.117 116.704 114.554 0.055 0.000 3.253 186 T HA 0.218 4.569 4.350 0.002 0.000 0.391 186 T C -2.779 171.867 174.700 -0.089 0.000 1.527 186 T CA -2.129 59.965 62.100 -0.009 0.000 1.268 186 T CB 0.942 69.808 68.868 -0.003 0.000 1.126 186 T HN 0.314 nan 8.240 nan 0.000 0.620 187 P HA 0.204 nan 4.420 nan 0.000 0.276 187 P C 0.953 177.910 177.300 -0.571 0.000 1.253 187 P CA -0.236 62.505 63.100 -0.599 0.000 0.766 187 P CB 1.218 32.337 31.700 -0.968 0.000 0.845 188 S N 3.233 118.690 115.700 -0.404 0.000 2.420 188 S HA -0.194 4.277 4.470 0.002 0.000 0.237 188 S C 1.279 175.830 174.600 -0.082 0.000 1.023 188 S CA 1.412 59.528 58.200 -0.139 0.000 0.991 188 S CB -1.132 62.089 63.200 0.036 0.000 0.792 188 S HN 0.637 nan 8.310 nan 0.000 0.488 189 F N 0.475 120.447 119.950 0.038 0.000 2.765 189 F HA 0.517 5.045 4.527 0.002 0.000 0.302 189 F C 0.248 176.058 175.800 0.016 0.000 1.111 189 F CA -0.811 57.203 58.000 0.022 0.000 1.359 189 F CB -0.459 38.556 39.000 0.024 0.000 1.097 189 F HN -0.129 nan 8.300 nan 0.000 0.577 190 V N 1.603 121.504 119.914 -0.022 0.000 2.417 190 V HA 0.709 4.830 4.120 0.002 0.000 0.291 190 V C 0.863 176.944 176.094 -0.022 0.000 1.024 190 V CA -0.355 61.958 62.300 0.022 0.000 0.861 190 V CB 0.531 32.344 31.823 -0.016 0.000 0.985 190 V HN 0.684 nan 8.190 nan 0.000 0.436 191 G N 5.221 114.020 108.800 -0.002 0.000 2.611 191 G HA2 -0.198 3.764 3.960 0.002 0.000 0.301 191 G HA3 -0.198 3.764 3.960 0.002 0.000 0.301 191 G C 0.231 175.096 174.900 -0.059 0.000 1.233 191 G CA 0.734 45.815 45.100 -0.031 0.000 0.993 191 G HN 1.789 nan 8.290 nan 0.000 0.553 192 S N -2.433 113.214 115.700 -0.088 0.000 2.843 192 S HA 0.600 5.071 4.470 0.002 0.000 0.301 192 S C 1.111 175.643 174.600 -0.114 0.000 1.206 192 S CA 0.690 58.838 58.200 -0.087 0.000 0.875 192 S CB 0.753 63.873 63.200 -0.134 0.000 1.248 192 S HN 1.796 nan 8.310 nan 0.000 0.555 193 H N 0.919 119.879 119.070 -0.183 0.000 2.457 193 H HA -0.057 4.501 4.556 0.002 0.000 0.297 193 H C 2.110 177.314 175.328 -0.207 0.000 1.092 193 H CA 2.090 58.019 56.048 -0.199 0.000 1.309 193 H CB -1.365 28.195 29.762 -0.338 0.000 1.382 193 H HN 0.586 nan 8.280 nan 0.000 0.535 194 V N -0.332 119.080 119.914 -0.836 0.000 2.548 194 V HA -0.128 3.993 4.120 0.002 0.000 0.249 194 V C 2.223 178.251 176.094 -0.110 0.000 1.055 194 V CA 1.740 63.665 62.300 -0.625 0.000 1.065 194 V CB -1.126 30.143 31.823 -0.924 0.000 0.681 194 V HN 0.349 nan 8.190 nan 0.000 0.462 195 T N 1.329 115.831 114.554 -0.086 0.000 2.821 195 T HA 0.016 4.368 4.350 0.002 0.000 0.267 195 T C 1.918 176.672 174.700 0.089 0.000 1.046 195 T CA 1.628 63.747 62.100 0.031 0.000 1.139 195 T CB -0.732 68.130 68.868 -0.009 0.000 0.871 195 T HN 0.685 nan 8.240 nan 0.000 0.454 196 G N -0.423 108.424 108.800 0.079 0.000 2.421 196 G HA2 -0.158 3.803 3.960 0.002 0.000 0.217 196 G HA3 -0.158 3.803 3.960 0.002 0.000 0.217 196 G C 1.313 176.332 174.900 0.197 0.000 1.143 196 G CA 0.150 45.311 45.100 0.102 0.000 0.784 196 G HN 0.571 nan 8.290 nan 0.000 0.541 197 W N 1.086 122.475 121.300 0.147 0.000 2.379 197 W HA -0.038 4.624 4.660 0.002 0.000 0.307 197 W C 2.157 178.813 176.519 0.228 0.000 1.200 197 W CA 1.319 58.805 57.345 0.235 0.000 1.297 197 W CB 0.160 29.814 29.460 0.325 0.000 1.140 197 W HN 0.233 nan 8.180 nan 0.000 0.507 198 D N -0.011 120.736 120.400 0.578 0.000 2.097 198 D HA -0.233 4.408 4.640 0.002 0.000 0.195 198 D C 1.760 178.215 176.300 0.258 0.000 0.989 198 D CA 1.671 55.950 54.000 0.465 0.000 0.827 198 D CB -0.523 40.477 40.800 0.334 0.000 0.966 198 D HN 0.023 nan 8.370 nan 0.000 0.456 199 N N -0.213 118.577 118.700 0.150 0.000 2.120 199 N HA -0.159 4.582 4.740 0.002 0.000 0.188 199 N C 1.717 177.210 175.510 -0.028 0.000 1.024 199 N CA 0.868 53.944 53.050 0.044 0.000 0.852 199 N CB -0.413 38.093 38.487 0.032 0.000 1.003 199 N HN 0.275 nan 8.380 nan 0.000 0.424 200 M N -0.233 119.351 119.600 -0.027 0.000 2.132 200 M HA -0.023 4.458 4.480 0.002 0.000 0.263 200 M C 1.789 177.978 176.300 -0.185 0.000 1.065 200 M CA 1.157 56.378 55.300 -0.132 0.000 1.122 200 M CB -0.560 31.946 32.600 -0.156 0.000 1.365 200 M HN 0.090 nan 8.290 nan 0.000 0.411 201 F N 0.573 120.379 119.950 -0.240 0.000 2.102 201 F HA -0.168 4.360 4.527 0.002 0.000 0.298 201 F C 2.369 178.085 175.800 -0.139 0.000 1.105 201 F CA 1.996 59.889 58.000 -0.179 0.000 1.239 201 F CB -0.464 38.506 39.000 -0.051 0.000 0.991 201 F HN 0.241 nan 8.300 nan 0.000 0.474 202 E N 0.227 120.395 120.200 -0.054 0.000 2.118 202 E HA -0.177 4.175 4.350 0.002 0.000 0.195 202 E C 2.392 178.689 176.600 -0.506 0.000 0.992 202 E CA 1.239 57.480 56.400 -0.266 0.000 0.804 202 E CB -0.683 28.937 29.700 -0.133 0.000 0.741 202 E HN 0.522 nan 8.360 nan 0.000 0.458 203 G N 0.962 109.511 108.800 -0.420 0.000 2.408 203 G HA2 -0.185 3.776 3.960 0.002 0.000 0.217 203 G HA3 -0.185 3.776 3.960 0.002 0.000 0.217 203 G C 1.707 176.310 174.900 -0.494 0.000 1.150 203 G CA 0.527 45.323 45.100 -0.507 0.000 0.776 203 G HN 0.232 nan 8.290 nan 0.000 0.542 204 I N 1.094 121.372 120.570 -0.487 0.000 2.353 204 I HA -0.050 4.121 4.170 0.002 0.000 0.248 204 I C 3.223 179.189 176.117 -0.253 0.000 1.119 204 I CA 0.739 61.780 61.300 -0.432 0.000 1.417 204 I CB -0.120 37.478 38.000 -0.669 0.000 1.078 204 I HN 0.228 nan 8.210 nan 0.000 0.421 205 A N 1.164 123.727 122.820 -0.429 0.000 1.902 205 A HA -0.187 4.134 4.320 0.002 0.000 0.217 205 A C 2.385 179.912 177.584 -0.095 0.000 1.181 205 A CA 1.403 53.347 52.037 -0.155 0.000 0.623 205 A CB -0.519 18.308 19.000 -0.287 0.000 0.818 205 A HN 0.299 nan 8.150 nan 0.000 0.443 206 R N -2.266 117.902 120.500 -0.554 0.000 2.096 206 R HA -0.141 4.200 4.340 0.002 0.000 0.235 206 R C 2.147 178.343 176.300 -0.174 0.000 1.127 206 R CA 1.631 57.467 56.100 -0.439 0.000 0.968 206 R CB -0.523 29.425 30.300 -0.586 0.000 0.861 206 R HN 0.693 nan 8.270 nan 0.000 0.440 207 Y N 0.227 120.305 120.300 -0.370 0.000 2.181 207 Y HA -0.190 4.361 4.550 0.002 0.000 0.288 207 Y C 1.498 177.103 175.900 -0.492 0.000 1.146 207 Y CA 1.599 59.419 58.100 -0.467 0.000 1.164 207 Y CB -0.069 37.990 38.460 -0.668 0.000 0.982 207 Y HN -0.084 nan 8.280 nan 0.000 0.515 208 F N -1.391 118.584 119.950 0.041 0.000 2.789 208 F HA -0.008 4.520 4.527 0.002 0.000 0.300 208 F C 1.834 177.642 175.800 0.012 0.000 1.132 208 F CA 1.087 59.092 58.000 0.009 0.000 1.404 208 F CB 0.139 39.166 39.000 0.045 0.000 1.114 208 F HN -0.037 nan 8.300 nan 0.000 0.584 209 T N -1.140 113.549 114.554 0.224 0.000 3.098 209 T HA 0.025 4.377 4.350 0.002 0.000 0.246 209 T C 1.701 176.528 174.700 0.212 0.000 0.983 209 T CA 0.001 62.260 62.100 0.266 0.000 1.094 209 T CB -0.520 68.708 68.868 0.601 0.000 1.035 209 T HN 0.004 nan 8.240 nan 0.000 0.456 210 L N 1.665 123.039 121.223 0.252 0.000 2.051 210 L HA -0.068 4.274 4.340 0.002 0.000 0.214 210 L C 1.237 178.155 176.870 0.080 0.000 1.076 210 L CA 1.807 56.772 54.840 0.208 0.000 0.758 210 L CB -0.434 41.725 42.059 0.167 0.000 0.890 210 L HN -0.026 nan 8.230 nan 0.000 0.433 211 K N -0.439 119.967 120.400 0.010 0.000 2.596 211 K HA 0.242 4.563 4.320 0.002 0.000 0.211 211 K C 0.785 177.374 176.600 -0.018 0.000 1.046 211 K CA 0.770 57.045 56.287 -0.019 0.000 1.202 211 K CB -0.258 32.203 32.500 -0.065 0.000 0.925 211 K HN 0.551 nan 8.250 nan 0.000 0.486 212 S N -1.945 113.756 115.700 0.001 0.000 3.088 212 S HA 0.150 4.621 4.470 0.002 0.000 0.249 212 S C 1.083 175.677 174.600 -0.010 0.000 0.877 212 S CA -0.494 57.701 58.200 -0.008 0.000 1.184 212 S CB -0.008 63.184 63.200 -0.014 0.000 1.170 212 S HN -0.086 nan 8.310 nan 0.000 0.603 213 M N 2.983 122.584 119.600 0.001 0.000 2.296 213 M HA -0.002 4.479 4.480 0.002 0.000 0.265 213 M C 1.411 177.702 176.300 -0.015 0.000 1.064 213 M CA 1.501 56.796 55.300 -0.008 0.000 1.109 213 M CB -1.393 31.213 32.600 0.010 0.000 1.396 213 M HN 0.600 nan 8.290 nan 0.000 0.430 214 D N -0.659 119.735 120.400 -0.011 0.000 2.351 214 D HA -0.190 4.451 4.640 0.002 0.000 0.216 214 D C 1.343 177.634 176.300 -0.014 0.000 0.968 214 D CA 1.036 55.030 54.000 -0.011 0.000 0.899 214 D CB -0.627 40.169 40.800 -0.008 0.000 0.907 214 D HN 0.354 nan 8.370 nan 0.000 0.514 215 D N -0.353 120.035 120.400 -0.020 0.000 2.333 215 D HA -0.054 4.587 4.640 0.002 0.000 0.208 215 D C 0.000 176.282 176.300 -0.030 0.000 0.984 215 D CA 0.380 54.366 54.000 -0.023 0.000 0.873 215 D CB 0.172 40.957 40.800 -0.025 0.000 0.935 215 D HN -0.117 nan 8.370 nan 0.000 0.521 216 K N 0.493 120.871 120.400 -0.037 0.000 2.172 216 K HA 0.353 4.675 4.320 0.002 0.000 0.276 216 K C -0.776 175.808 176.600 -0.027 0.000 1.013 216 K CA -0.703 55.555 56.287 -0.047 0.000 0.913 216 K CB 2.314 34.763 32.500 -0.084 0.000 1.055 216 K HN -0.150 nan 8.250 nan 0.000 0.461 217 V N 3.207 123.108 119.914 -0.022 0.000 2.409 217 V HA 0.138 4.259 4.120 0.002 0.000 0.291 217 V C 0.078 176.177 176.094 0.008 0.000 1.020 217 V CA -1.106 61.191 62.300 -0.005 0.000 0.848 217 V CB 1.869 33.687 31.823 -0.010 0.000 0.990 217 V HN 0.435 nan 8.190 nan 0.000 0.430 218 V N 5.261 125.197 119.914 0.036 0.000 2.485 218 V HA 0.415 4.536 4.120 0.002 0.000 0.287 218 V C 1.431 177.526 176.094 0.003 0.000 1.022 218 V CA 1.704 64.039 62.300 0.058 0.000 1.067 218 V CB 0.207 32.095 31.823 0.108 0.000 0.967 218 V HN 1.292 nan 8.190 nan 0.000 0.479 219 G N 4.102 112.888 108.800 -0.024 0.000 2.194 219 G HA2 -0.301 3.660 3.960 0.002 0.000 0.236 219 G HA3 -0.301 3.660 3.960 0.002 0.000 0.236 219 G C 1.105 175.988 174.900 -0.029 0.000 0.987 219 G CA 0.765 45.842 45.100 -0.039 0.000 0.635 219 G HN 1.035 nan 8.290 nan 0.000 0.520 220 S N 1.363 117.049 115.700 -0.023 0.000 2.399 220 S HA -0.142 4.329 4.470 0.002 0.000 0.231 220 S C 1.871 176.454 174.600 -0.028 0.000 1.022 220 S CA 1.790 59.976 58.200 -0.024 0.000 0.983 220 S CB -0.398 62.788 63.200 -0.024 0.000 0.803 220 S HN 1.098 nan 8.310 nan 0.000 0.480 221 N N 1.036 119.717 118.700 -0.032 0.000 2.398 221 N HA 0.062 4.804 4.740 0.002 0.000 0.188 221 N C 0.225 175.718 175.510 -0.029 0.000 1.122 221 N CA 0.291 53.321 53.050 -0.034 0.000 0.866 221 N CB -0.626 37.837 38.487 -0.041 0.000 0.970 221 N HN 0.505 nan 8.380 nan 0.000 0.462 222 K N -1.131 119.253 120.400 -0.028 0.000 3.130 222 K HA -0.218 4.103 4.320 0.002 0.000 0.282 222 K C -0.711 175.879 176.600 -0.016 0.000 1.145 222 K CA 0.949 57.222 56.287 -0.023 0.000 0.831 222 K CB -1.130 31.359 32.500 -0.019 0.000 1.226 222 K HN 0.457 nan 8.250 nan 0.000 0.478 223 K N 0.157 120.548 120.400 -0.014 0.000 2.211 223 K HA 0.629 4.950 4.320 0.002 0.000 0.237 223 K C -0.002 176.610 176.600 0.019 0.000 1.002 223 K CA -0.866 55.426 56.287 0.009 0.000 0.885 223 K CB 1.389 33.889 32.500 0.000 0.000 1.136 223 K HN -0.012 nan 8.250 nan 0.000 0.448 224 I N 1.850 122.459 120.570 0.066 0.000 2.436 224 I HA 0.222 4.393 4.170 0.002 0.000 0.289 224 I C -0.619 175.588 176.117 0.150 0.000 1.010 224 I CA -1.066 60.277 61.300 0.071 0.000 1.098 224 I CB 1.672 39.699 38.000 0.046 0.000 1.266 224 I HN 0.425 nan 8.210 nan 0.000 0.434 225 N N 6.022 124.832 118.700 0.184 0.000 2.514 225 N HA 0.441 5.182 4.740 0.002 0.000 0.277 225 N C -0.833 174.825 175.510 0.245 0.000 1.126 225 N CA -0.244 52.963 53.050 0.261 0.000 0.978 225 N CB 1.869 40.587 38.487 0.385 0.000 1.106 225 N HN 0.341 nan 8.380 nan 0.000 0.461 226 I N 1.823 122.541 120.570 0.246 0.000 2.411 226 I HA 0.168 4.340 4.170 0.002 0.000 0.284 226 I C -0.532 175.676 176.117 0.152 0.000 1.012 226 I CA -0.626 60.788 61.300 0.190 0.000 1.119 226 I CB 1.652 39.767 38.000 0.192 0.000 1.261 226 I HN 0.136 nan 8.210 nan 0.000 0.448 227 V N 9.806 129.757 119.914 0.062 0.000 2.333 227 V HA 0.307 4.428 4.120 0.002 0.000 0.274 227 V C -1.321 174.697 176.094 -0.126 0.000 1.028 227 V CA -0.960 61.294 62.300 -0.076 0.000 0.851 227 V CB 1.252 32.919 31.823 -0.259 0.000 1.000 227 V HN 0.611 nan 8.190 nan 0.000 0.456 228 P HA 0.073 nan 4.420 nan 0.000 0.218 228 P C 0.784 177.803 177.300 -0.468 0.000 1.152 228 P CA 1.581 64.578 63.100 -0.170 0.000 0.826 228 P CB 0.526 32.286 31.700 0.099 0.000 0.790 229 G N 0.329 108.489 108.800 -1.067 0.000 2.698 229 G HA2 -0.243 3.718 3.960 0.002 0.000 0.225 229 G HA3 -0.243 3.718 3.960 0.002 0.000 0.225 229 G C -1.036 173.028 174.900 -1.393 0.000 1.345 229 G CA -0.471 43.835 45.100 -1.324 0.000 0.871 229 G HN 0.290 nan 8.290 nan 0.000 0.540 230 F N 1.666 121.081 119.950 -0.892 0.000 2.487 230 F HA 0.555 5.084 4.527 0.002 0.000 0.364 230 F C 0.425 176.068 175.800 -0.261 0.000 1.126 230 F CA 0.379 58.061 58.000 -0.530 0.000 1.135 230 F CB 0.787 39.559 39.000 -0.380 0.000 1.127 230 F HN 0.620 nan 8.300 nan 0.000 0.559 231 E N 3.633 123.679 120.200 -0.257 0.000 2.241 231 E HA 0.246 4.597 4.350 0.002 0.000 0.263 231 E C -0.285 176.252 176.600 -0.105 0.000 0.882 231 E CA -0.521 55.758 56.400 -0.200 0.000 0.769 231 E CB 1.283 30.708 29.700 -0.457 0.000 1.185 231 E HN 0.486 nan 8.360 nan 0.000 0.415 232 T N 1.187 115.656 114.554 -0.142 0.000 3.266 232 T HA 0.351 4.702 4.350 0.002 0.000 0.278 232 T C -0.417 174.258 174.700 -0.041 0.000 1.010 232 T CA -0.243 61.826 62.100 -0.051 0.000 0.909 232 T CB -0.525 68.038 68.868 -0.508 0.000 1.122 232 T HN 0.302 nan 8.240 nan 0.000 0.536 233 Y N 0.630 121.028 120.300 0.162 0.000 2.326 233 Y HA 0.479 5.030 4.550 0.002 0.000 0.331 233 Y C 0.760 176.768 175.900 0.180 0.000 0.962 233 Y CA -1.537 56.663 58.100 0.167 0.000 1.167 233 Y CB 1.625 40.094 38.460 0.016 0.000 1.148 233 Y HN -0.073 nan 8.280 nan 0.000 0.463 234 L N 2.616 124.137 121.223 0.496 0.000 2.079 234 L HA -0.138 4.204 4.340 0.002 0.000 0.210 234 L C 2.279 179.326 176.870 0.295 0.000 1.081 234 L CA 2.148 57.257 54.840 0.448 0.000 0.752 234 L CB -0.975 41.282 42.059 0.331 0.000 0.896 234 L HN 0.964 nan 8.230 nan 0.000 0.433 235 G N -1.401 107.513 108.800 0.190 0.000 2.471 235 G HA2 -0.233 3.729 3.960 0.002 0.000 0.219 235 G HA3 -0.233 3.729 3.960 0.002 0.000 0.219 235 G C 1.504 176.405 174.900 0.001 0.000 1.125 235 G CA 0.464 45.606 45.100 0.071 0.000 0.775 235 G HN 0.378 nan 8.290 nan 0.000 0.548 236 N N 0.368 119.037 118.700 -0.051 0.000 2.250 236 N HA 0.006 4.747 4.740 0.002 0.000 0.181 236 N C 1.786 177.170 175.510 -0.211 0.000 1.017 236 N CA 0.531 53.465 53.050 -0.194 0.000 0.866 236 N CB -0.391 37.928 38.487 -0.280 0.000 0.985 236 N HN 0.405 nan 8.380 nan 0.000 0.429 237 F N 1.462 121.418 119.950 0.011 0.000 2.113 237 F HA 0.018 4.546 4.527 0.002 0.000 0.297 237 F C 2.445 178.237 175.800 -0.013 0.000 1.103 237 F CA 0.829 58.828 58.000 -0.003 0.000 1.248 237 F CB -0.040 38.969 39.000 0.016 0.000 0.999 237 F HN -0.080 nan 8.300 nan 0.000 0.475 238 R N -0.265 120.356 120.500 0.202 0.000 2.092 238 R HA -0.107 4.234 4.340 0.002 0.000 0.231 238 R C 2.227 178.548 176.300 0.034 0.000 1.119 238 R CA 1.194 57.360 56.100 0.110 0.000 0.970 238 R CB -0.840 29.519 30.300 0.099 0.000 0.864 238 R HN 0.224 nan 8.270 nan 0.000 0.440 239 V N 1.330 121.238 119.914 -0.010 0.000 2.548 239 V HA -0.151 3.970 4.120 0.002 0.000 0.249 239 V C 2.052 178.098 176.094 -0.080 0.000 1.055 239 V CA 1.203 63.472 62.300 -0.052 0.000 1.065 239 V CB -0.185 31.584 31.823 -0.089 0.000 0.681 239 V HN 0.190 nan 8.190 nan 0.000 0.462 240 I N 0.210 120.720 120.570 -0.100 0.000 2.252 240 I HA -0.192 3.979 4.170 0.002 0.000 0.245 240 I C 2.442 178.453 176.117 -0.176 0.000 1.102 240 I CA 1.698 62.923 61.300 -0.125 0.000 1.385 240 I CB -1.197 36.729 38.000 -0.123 0.000 1.064 240 I HN 0.371 nan 8.210 nan 0.000 0.414 241 K N 0.058 120.351 120.400 -0.178 0.000 2.057 241 K HA -0.185 4.136 4.320 0.002 0.000 0.207 241 K C 2.260 178.764 176.600 -0.159 0.000 1.049 241 K CA 1.047 57.160 56.287 -0.290 0.000 0.931 241 K CB -0.185 32.311 32.500 -0.007 0.000 0.714 241 K HN 0.202 nan 8.250 nan 0.000 0.440 242 R N 1.036 121.504 120.500 -0.055 0.000 2.073 242 R HA -0.077 4.264 4.340 0.002 0.000 0.234 242 R C 2.264 178.557 176.300 -0.011 0.000 1.134 242 R CA 1.541 57.636 56.100 -0.008 0.000 0.952 242 R CB -0.108 30.194 30.300 0.003 0.000 0.850 242 R HN 0.190 nan 8.270 nan 0.000 0.433 243 M N 0.230 119.816 119.600 -0.025 0.000 2.132 243 M HA -0.170 4.311 4.480 0.002 0.000 0.263 243 M C 2.115 178.412 176.300 -0.006 0.000 1.065 243 M CA 1.101 56.404 55.300 0.006 0.000 1.122 243 M CB -0.193 32.425 32.600 0.030 0.000 1.365 243 M HN 0.126 nan 8.290 nan 0.000 0.411 244 L N -0.233 120.946 121.223 -0.074 0.000 2.083 244 L HA -0.118 4.223 4.340 0.002 0.000 0.209 244 L C 2.550 179.423 176.870 0.005 0.000 1.083 244 L CA 1.725 56.506 54.840 -0.098 0.000 0.752 244 L CB -1.022 40.821 42.059 -0.359 0.000 0.899 244 L HN 0.187 nan 8.230 nan 0.000 0.433 245 S N -1.114 114.604 115.700 0.029 0.000 2.406 245 S HA -0.126 4.345 4.470 0.002 0.000 0.228 245 S C 1.824 176.463 174.600 0.065 0.000 1.020 245 S CA 0.688 58.954 58.200 0.109 0.000 0.965 245 S CB -0.059 63.220 63.200 0.132 0.000 0.798 245 S HN 0.465 nan 8.310 nan 0.000 0.488 246 E N 0.764 120.989 120.200 0.042 0.000 2.110 246 E HA -0.052 4.299 4.350 0.002 0.000 0.193 246 E C 1.824 178.445 176.600 0.035 0.000 0.988 246 E CA 0.956 57.379 56.400 0.038 0.000 0.804 246 E CB -0.125 29.598 29.700 0.038 0.000 0.745 246 E HN 0.475 nan 8.360 nan 0.000 0.458 247 M N -0.973 118.645 119.600 0.030 0.000 2.492 247 M HA 0.016 4.497 4.480 0.002 0.000 0.262 247 M C 1.105 177.421 176.300 0.027 0.000 1.090 247 M CA 0.874 56.187 55.300 0.021 0.000 1.110 247 M CB 0.458 33.060 32.600 0.003 0.000 1.407 247 M HN 0.271 nan 8.290 nan 0.000 0.470 248 G N 1.158 109.985 108.800 0.045 0.000 2.198 248 G HA2 -0.193 3.768 3.960 0.002 0.000 0.257 248 G HA3 -0.193 3.768 3.960 0.002 0.000 0.257 248 G C -0.167 174.767 174.900 0.056 0.000 1.042 248 G CA -0.209 44.921 45.100 0.050 0.000 0.791 248 G HN 0.318 nan 8.290 nan 0.000 0.502 249 V N 0.757 120.717 119.914 0.077 0.000 2.406 249 V HA 0.633 4.755 4.120 0.002 0.000 0.272 249 V C 1.363 177.567 176.094 0.182 0.000 1.043 249 V CA 0.010 62.362 62.300 0.087 0.000 0.915 249 V CB 1.416 33.268 31.823 0.049 0.000 0.988 249 V HN 0.760 nan 8.190 nan 0.000 0.466 250 G N 5.092 113.959 108.800 0.112 0.000 2.343 250 G HA2 0.392 4.353 3.960 0.002 0.000 0.254 250 G HA3 0.392 4.353 3.960 0.002 0.000 0.254 250 G C -0.760 174.232 174.900 0.152 0.000 1.277 250 G CA 0.116 45.264 45.100 0.081 0.000 0.909 250 G HN 0.886 nan 8.290 nan 0.000 0.502 251 Y N -0.622 119.689 120.300 0.018 0.000 2.644 251 Y HA 0.807 5.358 4.550 0.002 0.000 0.338 251 Y C -0.430 175.495 175.900 0.042 0.000 1.119 251 Y CA -1.637 56.484 58.100 0.036 0.000 1.060 251 Y CB 1.690 40.180 38.460 0.051 0.000 1.294 251 Y HN 0.446 nan 8.280 nan 0.000 0.472 252 S N 1.988 117.794 115.700 0.176 0.000 2.737 252 S HA 0.410 4.881 4.470 0.002 0.000 0.269 252 S C -2.075 172.681 174.600 0.260 0.000 1.150 252 S CA -0.536 57.718 58.200 0.090 0.000 1.077 252 S CB 0.554 63.794 63.200 0.066 0.000 1.075 252 S HN 0.738 nan 8.310 nan 0.000 0.476 253 L N 6.620 128.017 121.223 0.290 0.000 2.315 253 L HA 0.543 4.884 4.340 0.002 0.000 0.283 253 L C -1.078 175.890 176.870 0.164 0.000 1.089 253 L CA 0.117 55.115 54.840 0.263 0.000 0.833 253 L CB 0.262 42.489 42.059 0.280 0.000 1.170 253 L HN 0.616 nan 8.230 nan 0.000 0.442 254 L N 5.510 126.869 121.223 0.228 0.000 2.277 254 L HA 0.468 4.809 4.340 0.002 0.000 0.284 254 L C 0.269 177.303 176.870 0.273 0.000 1.028 254 L CA -0.621 54.404 54.840 0.309 0.000 0.835 254 L CB 0.779 43.213 42.059 0.626 0.000 1.215 254 L HN 0.846 nan 8.230 nan 0.000 0.425 255 S N 2.569 118.125 115.700 -0.241 0.000 3.285 255 S HA -0.141 4.331 4.470 0.002 0.000 0.787 255 S C -0.904 173.567 174.600 -0.215 0.000 0.607 255 S CA -0.329 57.564 58.200 -0.511 0.000 1.506 255 S CB -0.310 62.954 63.200 0.107 0.000 1.010 255 S HN 0.872 nan 8.310 nan 0.000 0.914 256 D N 5.821 125.983 120.400 -0.397 0.000 2.346 256 D HA 0.454 5.095 4.640 0.002 0.000 0.255 256 D C -1.570 174.420 176.300 -0.516 0.000 1.276 256 D CA -1.684 52.063 54.000 -0.422 0.000 0.941 256 D CB 1.400 42.063 40.800 -0.228 0.000 1.199 256 D HN 0.304 nan 8.370 nan 0.000 0.537 257 P HA 0.056 nan 4.420 nan 0.000 0.262 257 P C 0.710 177.714 177.300 -0.494 0.000 1.304 257 P CA 0.161 62.945 63.100 -0.526 0.000 0.859 257 P CB 0.282 31.700 31.700 -0.471 0.000 1.310 258 E N 0.257 120.132 120.200 -0.542 0.000 2.204 258 E HA -0.192 4.159 4.350 0.002 0.000 0.195 258 E C 1.551 178.071 176.600 -0.134 0.000 0.990 258 E CA 1.122 57.364 56.400 -0.263 0.000 0.821 258 E CB -0.471 29.147 29.700 -0.136 0.000 0.750 258 E HN 0.093 nan 8.360 nan 0.000 0.477 259 E N 0.741 120.858 120.200 -0.138 0.000 2.060 259 E HA -0.078 4.273 4.350 0.002 0.000 0.189 259 E C 2.487 179.036 176.600 -0.085 0.000 0.974 259 E CA 1.498 57.849 56.400 -0.082 0.000 0.808 259 E CB -0.166 29.493 29.700 -0.068 0.000 0.768 259 E HN 0.389 nan 8.360 nan 0.000 0.453 260 V N 0.689 120.532 119.914 -0.118 0.000 2.407 260 V HA -0.171 3.950 4.120 0.002 0.000 0.248 260 V C 2.351 178.367 176.094 -0.131 0.000 1.055 260 V CA 1.286 63.521 62.300 -0.108 0.000 1.049 260 V CB -0.853 30.904 31.823 -0.110 0.000 0.662 260 V HN 0.111 nan 8.190 nan 0.000 0.455 261 L N 0.387 121.481 121.223 -0.214 0.000 2.645 261 L HA 0.237 4.578 4.340 0.002 0.000 0.235 261 L C 0.728 177.554 176.870 -0.073 0.000 1.150 261 L CA 0.697 55.369 54.840 -0.280 0.000 0.911 261 L CB -0.202 41.487 42.059 -0.618 0.000 1.077 261 L HN 0.393 nan 8.230 nan 0.000 0.438 262 D N -0.258 120.135 120.400 -0.013 0.000 3.453 262 D HA 0.015 4.657 4.640 0.002 0.000 0.312 262 D C 0.279 176.603 176.300 0.039 0.000 1.349 262 D CA -0.192 53.845 54.000 0.062 0.000 0.739 262 D CB 0.379 41.230 40.800 0.086 0.000 1.312 262 D HN 0.022 nan 8.370 nan 0.000 0.628 263 T N -0.369 114.204 114.554 0.032 0.000 2.913 263 T HA 0.562 4.913 4.350 0.002 0.000 0.297 263 T C -1.879 172.848 174.700 0.046 0.000 1.029 263 T CA -1.169 60.946 62.100 0.026 0.000 1.104 263 T CB 1.229 70.104 68.868 0.011 0.000 0.964 263 T HN 0.042 nan 8.240 nan 0.000 0.532 264 P HA 0.303 nan 4.420 nan 0.000 0.271 264 P C -0.771 176.559 177.300 0.051 0.000 1.216 264 P CA -0.520 62.603 63.100 0.039 0.000 0.776 264 P CB 0.467 32.183 31.700 0.027 0.000 0.881 265 A N 2.867 125.718 122.820 0.052 0.000 2.527 265 A HA 0.280 4.601 4.320 0.002 0.000 0.313 265 A C 0.499 178.110 177.584 0.046 0.000 1.410 265 A CA -0.352 51.719 52.037 0.058 0.000 1.060 265 A CB -0.587 18.448 19.000 0.058 0.000 1.137 265 A HN 0.604 nan 8.150 nan 0.000 0.542 266 D N 1.206 121.634 120.400 0.046 0.000 2.582 266 D HA 0.293 4.934 4.640 0.002 0.000 0.246 266 D C 0.837 177.160 176.300 0.039 0.000 1.334 266 D CA 0.511 54.533 54.000 0.037 0.000 0.805 266 D CB -0.213 40.604 40.800 0.030 0.000 1.087 266 D HN 1.046 nan 8.370 nan 0.000 0.499 267 G N 0.864 109.692 108.800 0.048 0.000 2.213 267 G HA2 -0.226 3.735 3.960 0.002 0.000 0.226 267 G HA3 -0.226 3.735 3.960 0.002 0.000 0.226 267 G C -0.022 174.915 174.900 0.062 0.000 0.992 267 G CA 0.207 45.335 45.100 0.048 0.000 0.632 267 G HN 0.726 nan 8.290 nan 0.000 0.511 268 Q N -0.793 119.050 119.800 0.071 0.000 2.389 268 Q HA 0.736 5.078 4.340 0.002 0.000 0.277 268 Q C -0.966 175.114 176.000 0.134 0.000 1.082 268 Q CA -1.359 54.499 55.803 0.092 0.000 0.810 268 Q CB 2.065 30.835 28.738 0.053 0.000 1.374 268 Q HN 0.575 nan 8.270 nan 0.000 0.422 269 F N 2.026 121.982 119.950 0.011 0.000 2.420 269 F HA 0.468 4.996 4.527 0.002 0.000 0.352 269 F C -0.682 175.116 175.800 -0.004 0.000 1.108 269 F CA -0.733 57.268 58.000 0.002 0.000 1.162 269 F CB 1.105 40.105 39.000 -0.000 0.000 1.118 269 F HN 0.581 nan 8.300 nan 0.000 0.510 270 R N 7.485 127.637 120.500 -0.580 0.000 2.287 270 R HA 0.201 4.543 4.340 0.002 0.000 0.316 270 R C 1.195 176.935 176.300 -0.932 0.000 1.050 270 R CA -0.393 55.337 56.100 -0.618 0.000 0.983 270 R CB 1.161 31.317 30.300 -0.241 0.000 1.140 270 R HN 0.980 nan 8.270 nan 0.000 0.528 271 M N 2.366 121.218 119.600 -1.248 0.000 2.108 271 M HA -0.134 4.348 4.480 0.002 0.000 0.261 271 M C -0.533 175.339 176.300 -0.713 0.000 1.066 271 M CA 1.959 56.656 55.300 -1.005 0.000 1.107 271 M CB 0.293 32.339 32.600 -0.924 0.000 1.356 271 M HN 0.394 nan 8.290 nan 0.000 0.406 272 Y N -0.672 119.514 120.300 -0.190 0.000 2.524 272 Y HA 0.701 5.252 4.550 0.002 0.000 0.344 272 Y C -0.472 175.363 175.900 -0.109 0.000 1.012 272 Y CA -1.096 56.942 58.100 -0.104 0.000 1.068 272 Y CB 1.720 40.149 38.460 -0.051 0.000 1.249 272 Y HN 0.057 nan 8.280 nan 0.000 0.468 273 A N 1.236 124.105 122.820 0.082 0.000 2.547 273 A HA 0.612 4.933 4.320 0.002 0.000 0.298 273 A C 0.108 177.682 177.584 -0.016 0.000 1.062 273 A CA -0.209 51.833 52.037 0.008 0.000 0.748 273 A CB 0.484 19.465 19.000 -0.031 0.000 1.288 273 A HN 1.558 nan 8.150 nan 0.000 0.396 274 G N 1.456 110.241 108.800 -0.025 0.000 2.611 274 G HA2 0.427 4.388 3.960 0.002 0.000 0.301 274 G HA3 0.427 4.388 3.960 0.002 0.000 0.301 274 G C 1.616 176.478 174.900 -0.063 0.000 1.233 274 G CA 1.624 46.695 45.100 -0.048 0.000 0.993 274 G HN 3.255 nan 8.290 nan 0.000 0.553 275 G N -3.470 105.267 108.800 -0.105 0.000 2.730 275 G HA2 0.342 4.303 3.960 0.002 0.000 0.686 275 G HA3 0.342 4.303 3.960 0.002 0.000 0.686 275 G C -0.079 174.739 174.900 -0.137 0.000 1.343 275 G CA 0.404 45.416 45.100 -0.147 0.000 0.826 275 G HN 2.009 nan 8.290 nan 0.000 0.582 276 T N 1.897 116.322 114.554 -0.214 0.000 2.799 276 T HA 0.500 4.851 4.350 0.002 0.000 0.296 276 T C 1.364 176.042 174.700 -0.035 0.000 0.947 276 T CA 0.713 62.724 62.100 -0.150 0.000 1.141 276 T CB 0.570 69.279 68.868 -0.265 0.000 0.891 276 T HN 1.408 nan 8.240 nan 0.000 0.533 277 T N 1.964 116.487 114.554 -0.053 0.000 2.813 277 T HA 0.111 4.462 4.350 0.002 0.000 0.297 277 T C 1.339 175.958 174.700 -0.136 0.000 1.036 277 T CA -0.564 61.492 62.100 -0.073 0.000 1.044 277 T CB 0.716 69.535 68.868 -0.083 0.000 0.993 277 T HN 0.598 nan 8.240 nan 0.000 0.535 278 Q N 0.156 119.814 119.800 -0.235 0.000 2.224 278 Q HA -0.104 4.237 4.340 0.002 0.000 0.203 278 Q C 2.153 177.889 176.000 -0.439 0.000 0.970 278 Q CA 1.417 56.890 55.803 -0.550 0.000 0.865 278 Q CB -0.127 28.352 28.738 -0.432 0.000 0.922 278 Q HN 0.760 nan 8.270 nan 0.000 0.445 279 E N 0.905 120.975 120.200 -0.216 0.000 2.106 279 E HA -0.159 4.193 4.350 0.002 0.000 0.192 279 E C 1.519 178.041 176.600 -0.130 0.000 0.984 279 E CA 0.973 57.288 56.400 -0.141 0.000 0.806 279 E CB 0.119 29.763 29.700 -0.092 0.000 0.750 279 E HN 0.357 nan 8.360 nan 0.000 0.458 280 E N -0.512 119.617 120.200 -0.118 0.000 2.150 280 E HA -0.124 4.228 4.350 0.002 0.000 0.193 280 E C 1.735 178.297 176.600 -0.064 0.000 0.985 280 E CA 0.719 57.075 56.400 -0.074 0.000 0.814 280 E CB 0.001 29.676 29.700 -0.041 0.000 0.752 280 E HN 0.212 nan 8.360 nan 0.000 0.466 281 M N 0.581 120.107 119.600 -0.124 0.000 2.254 281 M HA -0.078 4.403 4.480 0.002 0.000 0.265 281 M C 1.793 178.045 176.300 -0.080 0.000 1.066 281 M CA 1.418 56.663 55.300 -0.092 0.000 1.123 281 M CB -0.371 32.050 32.600 -0.299 0.000 1.388 281 M HN -0.035 nan 8.290 nan 0.000 0.425 282 K N -0.343 119.976 120.400 -0.136 0.000 2.103 282 K HA -0.138 4.184 4.320 0.002 0.000 0.204 282 K C 1.334 177.870 176.600 -0.107 0.000 1.052 282 K CA 1.258 57.523 56.287 -0.036 0.000 0.945 282 K CB -0.082 32.412 32.500 -0.009 0.000 0.722 282 K HN 0.162 nan 8.250 nan 0.000 0.443 283 D N 0.220 120.545 120.400 -0.124 0.000 2.340 283 D HA 0.076 4.717 4.640 0.002 0.000 0.220 283 D C 1.449 177.633 176.300 -0.193 0.000 1.039 283 D CA 0.240 54.159 54.000 -0.136 0.000 0.866 283 D CB 0.260 41.003 40.800 -0.094 0.000 0.913 283 D HN 0.157 nan 8.370 nan 0.000 0.523 284 A N 1.049 123.710 122.820 -0.264 0.000 1.978 284 A HA -0.066 4.256 4.320 0.002 0.000 0.220 284 A C -0.256 176.945 177.584 -0.638 0.000 1.170 284 A CA 0.862 52.685 52.037 -0.357 0.000 0.636 284 A CB -1.374 17.430 19.000 -0.327 0.000 0.810 284 A HN 0.264 nan 8.150 nan 0.000 0.448 285 P HA -0.113 nan 4.420 nan 0.000 0.223 285 P C 0.464 177.698 177.300 -0.109 0.000 1.144 285 P CA 1.270 63.933 63.100 -0.729 0.000 0.783 285 P CB -0.333 30.918 31.700 -0.749 0.000 0.771 286 N N -0.833 117.794 118.700 -0.122 0.000 2.461 286 N HA 0.097 4.838 4.740 0.002 0.000 0.188 286 N C 0.547 176.048 175.510 -0.014 0.000 1.134 286 N CA -0.268 52.758 53.050 -0.041 0.000 0.878 286 N CB -0.149 38.299 38.487 -0.066 0.000 0.972 286 N HN 0.093 nan 8.380 nan 0.000 0.456 287 A N 0.379 123.204 122.820 0.008 0.000 2.445 287 A HA 0.131 4.452 4.320 0.002 0.000 0.242 287 A C 1.270 178.743 177.584 -0.185 0.000 1.075 287 A CA -0.281 51.732 52.037 -0.041 0.000 0.777 287 A CB 0.225 19.244 19.000 0.032 0.000 1.013 287 A HN 0.215 nan 8.150 nan 0.000 0.493 288 L N 0.723 121.857 121.223 -0.148 0.000 2.081 288 L HA -0.140 4.201 4.340 0.002 0.000 0.212 288 L C 1.167 177.853 176.870 -0.306 0.000 1.080 288 L CA 1.510 56.249 54.840 -0.167 0.000 0.754 288 L CB -0.437 41.566 42.059 -0.094 0.000 0.893 288 L HN 0.836 nan 8.230 nan 0.000 0.433 289 N N -2.581 115.906 118.700 -0.354 0.000 3.261 289 N HA 0.243 4.985 4.740 0.002 0.000 0.248 289 N C -1.436 174.030 175.510 -0.075 0.000 1.498 289 N CA -0.387 52.463 53.050 -0.334 0.000 0.884 289 N CB 1.713 40.130 38.487 -0.117 0.000 1.428 289 N HN -0.332 nan 8.380 nan 0.000 0.517 290 T N 0.332 114.974 114.554 0.146 0.000 2.879 290 T HA 0.479 4.830 4.350 0.002 0.000 0.290 290 T C -0.807 173.982 174.700 0.148 0.000 0.993 290 T CA -0.350 61.904 62.100 0.256 0.000 0.975 290 T CB 1.431 70.572 68.868 0.455 0.000 0.981 290 T HN 0.176 nan 8.240 nan 0.000 0.439 291 V N 5.011 125.002 119.914 0.128 0.000 2.394 291 V HA 0.427 4.548 4.120 0.002 0.000 0.282 291 V C -0.163 175.975 176.094 0.074 0.000 1.031 291 V CA -0.757 61.601 62.300 0.097 0.000 0.881 291 V CB 1.160 33.061 31.823 0.131 0.000 0.982 291 V HN 0.704 nan 8.190 nan 0.000 0.451 292 L N 6.095 127.328 121.223 0.017 0.000 2.259 292 L HA 0.383 4.725 4.340 0.002 0.000 0.288 292 L C 1.093 177.914 176.870 -0.080 0.000 1.051 292 L CA -0.320 54.487 54.840 -0.055 0.000 0.824 292 L CB 0.999 43.002 42.059 -0.092 0.000 1.206 292 L HN 0.594 nan 8.230 nan 0.000 0.429 293 L N 2.143 123.301 121.223 -0.108 0.000 2.201 293 L HA -0.075 4.267 4.340 0.002 0.000 0.212 293 L C 0.763 177.537 176.870 -0.160 0.000 1.105 293 L CA 1.287 56.043 54.840 -0.140 0.000 0.775 293 L CB -0.147 41.805 42.059 -0.178 0.000 0.913 293 L HN 0.717 nan 8.230 nan 0.000 0.440 294 Q N -0.243 119.414 119.800 -0.237 0.000 3.064 294 Q HA 0.175 4.516 4.340 0.002 0.000 0.258 294 Q C -1.749 174.053 176.000 -0.330 0.000 0.972 294 Q CA -1.400 54.249 55.803 -0.257 0.000 0.761 294 Q CB 1.556 30.079 28.738 -0.358 0.000 1.281 294 Q HN 0.040 nan 8.270 nan 0.000 0.455 295 P HA -0.156 nan 4.420 nan 0.000 0.219 295 P C 0.511 177.675 177.300 -0.228 0.000 1.150 295 P CA 0.966 63.929 63.100 -0.228 0.000 0.814 295 P CB 0.152 31.700 31.700 -0.253 0.000 0.787 296 W N 0.937 122.212 121.300 -0.042 0.000 2.538 296 W HA -0.090 4.571 4.660 0.002 0.000 0.254 296 W C 1.995 178.535 176.519 0.035 0.000 1.249 296 W CA 0.915 58.285 57.345 0.040 0.000 1.253 296 W CB -0.721 28.828 29.460 0.150 0.000 1.130 296 W HN 0.299 nan 8.180 nan 0.000 0.618 297 H N -2.437 116.705 119.070 0.120 0.000 2.510 297 H HA 0.368 4.925 4.556 0.002 0.000 0.266 297 H C 0.291 175.645 175.328 0.044 0.000 1.146 297 H CA -0.183 55.896 56.048 0.051 0.000 0.993 297 H CB -0.492 29.259 29.762 -0.018 0.000 1.727 297 H HN 0.190 nan 8.280 nan 0.000 0.590 298 L N 0.951 122.156 121.223 -0.030 0.000 3.347 298 L HA 0.220 4.562 4.340 0.002 0.000 0.306 298 L C 1.115 177.986 176.870 0.001 0.000 1.301 298 L CA 0.031 54.868 54.840 -0.006 0.000 0.985 298 L CB 0.856 42.835 42.059 -0.133 0.000 1.400 298 L HN 0.167 nan 8.230 nan 0.000 0.601 299 E N 0.512 120.718 120.200 0.011 0.000 2.072 299 E HA -0.201 4.150 4.350 0.002 0.000 0.191 299 E C 1.840 178.452 176.600 0.018 0.000 0.985 299 E CA 1.014 57.406 56.400 -0.013 0.000 0.801 299 E CB 0.311 30.006 29.700 -0.008 0.000 0.750 299 E HN 0.295 nan 8.360 nan 0.000 0.452 300 K N 0.130 120.562 120.400 0.054 0.000 2.057 300 K HA -0.126 4.196 4.320 0.002 0.000 0.207 300 K C 2.113 178.761 176.600 0.080 0.000 1.049 300 K CA 1.483 57.805 56.287 0.059 0.000 0.931 300 K CB 0.001 32.539 32.500 0.062 0.000 0.714 300 K HN 0.043 nan 8.250 nan 0.000 0.440 301 T N 0.915 115.538 114.554 0.115 0.000 2.788 301 T HA -0.142 4.209 4.350 0.002 0.000 0.268 301 T C 1.701 176.449 174.700 0.079 0.000 1.044 301 T CA 1.319 63.516 62.100 0.161 0.000 1.139 301 T CB -0.032 68.985 68.868 0.249 0.000 0.867 301 T HN 0.292 nan 8.240 nan 0.000 0.454 302 K N 1.008 121.423 120.400 0.026 0.000 2.026 302 K HA -0.090 4.231 4.320 0.002 0.000 0.208 302 K C 2.217 178.798 176.600 -0.032 0.000 1.048 302 K CA 1.238 57.513 56.287 -0.020 0.000 0.929 302 K CB -0.013 32.456 32.500 -0.051 0.000 0.713 302 K HN 0.209 nan 8.250 nan 0.000 0.439 303 K N -0.393 120.002 120.400 -0.009 0.000 2.147 303 K HA -0.161 4.160 4.320 0.002 0.000 0.205 303 K C 2.013 178.598 176.600 -0.026 0.000 1.049 303 K CA 1.351 57.630 56.287 -0.013 0.000 0.936 303 K CB -0.192 32.316 32.500 0.013 0.000 0.722 303 K HN 0.156 nan 8.250 nan 0.000 0.446 304 F N 0.839 120.693 119.950 -0.160 0.000 2.187 304 F HA -0.115 4.414 4.527 0.002 0.000 0.295 304 F C 2.071 177.614 175.800 -0.430 0.000 1.091 304 F CA 0.686 58.536 58.000 -0.251 0.000 1.308 304 F CB -0.257 38.586 39.000 -0.263 0.000 1.030 304 F HN -0.245 nan 8.300 nan 0.000 0.487 305 V N 0.261 119.887 119.914 -0.479 0.000 2.548 305 V HA -0.198 3.923 4.120 0.002 0.000 0.249 305 V C 2.015 177.904 176.094 -0.342 0.000 1.055 305 V CA 2.307 64.193 62.300 -0.690 0.000 1.065 305 V CB -0.333 31.254 31.823 -0.394 0.000 0.681 305 V HN 0.430 nan 8.190 nan 0.000 0.462 306 E N -0.038 120.051 120.200 -0.186 0.000 2.076 306 E HA -0.052 4.299 4.350 0.002 0.000 0.190 306 E C 2.113 178.638 176.600 -0.124 0.000 0.979 306 E CA 1.108 57.454 56.400 -0.089 0.000 0.807 306 E CB -0.408 29.262 29.700 -0.050 0.000 0.761 306 E HN 0.694 nan 8.360 nan 0.000 0.454 307 G N 0.273 108.961 108.800 -0.185 0.000 2.396 307 G HA2 -0.150 3.811 3.960 0.002 0.000 0.214 307 G HA3 -0.150 3.811 3.960 0.002 0.000 0.214 307 G C 1.573 176.338 174.900 -0.224 0.000 1.166 307 G CA 0.957 45.959 45.100 -0.164 0.000 0.793 307 G HN 0.144 nan 8.290 nan 0.000 0.533 308 T N -0.522 113.761 114.554 -0.451 0.000 3.004 308 T HA 0.014 4.365 4.350 0.002 0.000 0.243 308 T C 1.859 176.454 174.700 -0.174 0.000 1.020 308 T CA 0.360 62.210 62.100 -0.417 0.000 1.145 308 T CB -0.065 68.277 68.868 -0.875 0.000 0.876 308 T HN 0.357 nan 8.240 nan 0.000 0.449 309 W N 1.848 122.841 121.300 -0.512 0.000 2.770 309 W HA 0.334 4.995 4.660 0.002 0.000 0.256 309 W C 0.555 176.889 176.519 -0.308 0.000 1.291 309 W CA -0.377 56.694 57.345 -0.456 0.000 1.396 309 W CB -0.364 28.651 29.460 -0.742 0.000 1.114 309 W HN 0.115 nan 8.180 nan 0.000 0.637 310 K N -0.149 120.247 120.400 -0.007 0.000 3.117 310 K HA -0.245 4.076 4.320 0.002 0.000 0.269 310 K C -0.392 176.329 176.600 0.200 0.000 1.098 310 K CA 0.805 57.129 56.287 0.061 0.000 0.785 310 K CB -2.556 29.979 32.500 0.058 0.000 1.242 310 K HN 0.443 nan 8.250 nan 0.000 0.491 311 H N 0.521 119.644 119.070 0.089 0.000 2.511 311 H HA 0.223 4.781 4.556 0.002 0.000 0.346 311 H C 0.234 175.586 175.328 0.040 0.000 1.128 311 H CA -0.576 55.525 56.048 0.089 0.000 1.342 311 H CB 0.924 30.781 29.762 0.159 0.000 1.470 311 H HN 0.058 nan 8.280 nan 0.000 0.546 312 E N 2.591 122.871 120.200 0.132 0.000 2.136 312 E HA 0.119 4.470 4.350 0.002 0.000 0.246 312 E C -0.626 176.000 176.600 0.043 0.000 1.017 312 E CA -0.434 56.002 56.400 0.060 0.000 0.883 312 E CB 0.750 30.467 29.700 0.028 0.000 1.199 312 E HN 0.269 nan 8.360 nan 0.000 0.447 313 V N 4.625 124.570 119.914 0.052 0.000 2.475 313 V HA -0.017 4.104 4.120 0.002 0.000 0.292 313 V C -1.835 174.255 176.094 -0.006 0.000 1.003 313 V CA -0.970 61.349 62.300 0.032 0.000 1.120 313 V CB -0.403 31.434 31.823 0.023 0.000 0.937 313 V HN 0.471 nan 8.190 nan 0.000 0.476 314 P HA 0.134 nan 4.420 nan 0.000 0.269 314 P C -0.445 176.826 177.300 -0.049 0.000 1.209 314 P CA -0.531 62.551 63.100 -0.029 0.000 0.776 314 P CB 0.450 32.133 31.700 -0.029 0.000 0.876 315 K N 3.331 123.695 120.400 -0.060 0.000 2.142 315 K HA 0.259 4.580 4.320 0.002 0.000 0.250 315 K C -0.959 175.579 176.600 -0.102 0.000 1.148 315 K CA 0.209 56.443 56.287 -0.088 0.000 1.040 315 K CB -1.225 31.229 32.500 -0.077 0.000 1.569 315 K HN 0.390 nan 8.250 nan 0.000 0.361 316 L N 3.341 124.500 121.223 -0.107 0.000 2.341 316 L HA 0.415 4.756 4.340 0.002 0.000 0.278 316 L C -0.031 176.724 176.870 -0.192 0.000 1.005 316 L CA -1.091 53.679 54.840 -0.117 0.000 0.818 316 L CB 1.919 43.971 42.059 -0.011 0.000 1.259 316 L HN 0.556 nan 8.230 nan 0.000 0.418 317 N N 1.626 120.110 118.700 -0.359 0.000 2.347 317 N HA 0.317 5.058 4.740 0.002 0.000 0.253 317 N C -0.107 175.263 175.510 -0.233 0.000 1.274 317 N CA -0.592 52.159 53.050 -0.497 0.000 0.941 317 N CB 0.949 38.575 38.487 -1.434 0.000 1.200 317 N HN 0.485 nan 8.380 nan 0.000 0.514 318 I N 2.173 122.692 120.570 -0.086 0.000 2.752 318 I HA 0.018 4.190 4.170 0.002 0.000 0.289 318 I C -1.843 174.327 176.117 0.088 0.000 1.197 318 I CA -1.329 59.987 61.300 0.026 0.000 1.432 318 I CB 0.681 38.762 38.000 0.135 0.000 1.359 318 I HN 0.437 nan 8.210 nan 0.000 0.571 319 P HA 0.114 nan 4.420 nan 0.000 0.241 319 P C -0.932 176.294 177.300 -0.123 0.000 1.760 319 P CA 0.287 63.305 63.100 -0.137 0.000 1.081 319 P CB -0.065 31.287 31.700 -0.580 0.000 1.975 320 M N 1.565 121.190 119.600 0.042 0.000 2.321 320 M HA 0.564 5.045 4.480 0.002 0.000 0.315 320 M C 0.470 176.657 176.300 -0.188 0.000 1.052 320 M CA 0.206 55.444 55.300 -0.103 0.000 0.936 320 M CB 2.562 35.137 32.600 -0.042 0.000 1.639 320 M HN 0.422 nan 8.290 nan 0.000 0.433 321 G N 1.350 109.901 108.800 -0.415 0.000 2.728 321 G HA2 -0.197 3.764 3.960 0.002 0.000 0.294 321 G HA3 -0.197 3.764 3.960 0.002 0.000 0.294 321 G C -0.393 174.422 174.900 -0.142 0.000 1.342 321 G CA -0.300 44.560 45.100 -0.401 0.000 0.866 321 G HN 0.703 nan 8.290 nan 0.000 0.534 322 L N -0.326 120.919 121.223 0.038 0.000 2.007 322 L HA 0.188 4.529 4.340 0.002 0.000 0.205 322 L C 2.475 179.438 176.870 0.155 0.000 1.073 322 L CA 2.915 57.847 54.840 0.153 0.000 0.744 322 L CB -0.792 41.358 42.059 0.151 0.000 0.898 322 L HN 0.639 nan 8.230 nan 0.000 0.435 323 D N -1.067 119.383 120.400 0.083 0.000 2.117 323 D HA -0.215 4.427 4.640 0.002 0.000 0.197 323 D C 1.950 178.447 176.300 0.329 0.000 0.987 323 D CA 1.296 55.392 54.000 0.161 0.000 0.829 323 D CB -0.296 40.576 40.800 0.119 0.000 0.961 323 D HN 0.429 nan 8.370 nan 0.000 0.460 324 W N 0.908 122.232 121.300 0.041 0.000 2.678 324 W HA 0.073 4.735 4.660 0.003 0.000 0.256 324 W C 2.139 178.661 176.519 0.003 0.000 1.280 324 W CA 0.404 57.763 57.345 0.024 0.000 1.345 324 W CB -1.194 28.267 29.460 0.001 0.000 1.118 324 W HN -0.063 nan 8.180 nan 0.000 0.629 325 T N -0.205 114.432 114.554 0.138 0.000 2.942 325 T HA -0.114 4.237 4.350 0.002 0.000 0.265 325 T C 1.223 175.964 174.700 0.070 0.000 1.062 325 T CA 1.400 63.470 62.100 -0.049 0.000 1.139 325 T CB -0.104 68.487 68.868 -0.460 0.000 0.883 325 T HN -0.051 nan 8.240 nan 0.000 0.468 326 D N 1.716 122.225 120.400 0.182 0.000 2.084 326 D HA -0.082 4.559 4.640 0.002 0.000 0.194 326 D C 2.168 178.566 176.300 0.162 0.000 0.990 326 D CA 1.089 55.217 54.000 0.214 0.000 0.826 326 D CB -0.263 40.661 40.800 0.207 0.000 0.971 326 D HN 0.475 nan 8.370 nan 0.000 0.453 327 E N -0.347 119.960 120.200 0.177 0.000 2.160 327 E HA -0.178 4.173 4.350 0.002 0.000 0.195 327 E C 1.927 178.593 176.600 0.111 0.000 0.991 327 E CA 0.468 56.946 56.400 0.130 0.000 0.810 327 E CB -0.189 29.593 29.700 0.136 0.000 0.742 327 E HN 0.250 nan 8.360 nan 0.000 0.466 328 F N 1.326 121.273 119.950 -0.004 0.000 2.084 328 F HA -0.146 4.382 4.527 0.002 0.000 0.296 328 F C 1.902 177.681 175.800 -0.036 0.000 1.111 328 F CA 1.300 59.276 58.000 -0.038 0.000 1.224 328 F CB -0.219 38.741 39.000 -0.065 0.000 0.991 328 F HN -0.115 nan 8.300 nan 0.000 0.471 329 L N -0.178 121.015 121.223 -0.050 0.000 2.083 329 L HA -0.250 4.091 4.340 0.002 0.000 0.209 329 L C 2.539 179.323 176.870 -0.144 0.000 1.083 329 L CA 1.465 56.209 54.840 -0.160 0.000 0.752 329 L CB -0.740 41.337 42.059 0.030 0.000 0.899 329 L HN 0.272 nan 8.230 nan 0.000 0.433 330 M N -0.528 119.037 119.600 -0.058 0.000 2.175 330 M HA -0.195 4.286 4.480 0.002 0.000 0.264 330 M C 2.284 178.534 176.300 -0.084 0.000 1.063 330 M CA 1.506 56.779 55.300 -0.045 0.000 1.119 330 M CB -0.278 32.323 32.600 0.002 0.000 1.377 330 M HN 0.024 nan 8.290 nan 0.000 0.415 331 K N 0.509 120.836 120.400 -0.122 0.000 2.057 331 K HA -0.052 4.270 4.320 0.002 0.000 0.206 331 K C 1.638 178.132 176.600 -0.176 0.000 1.050 331 K CA 1.039 57.249 56.287 -0.128 0.000 0.935 331 K CB -0.309 32.115 32.500 -0.127 0.000 0.715 331 K HN 0.094 nan 8.250 nan 0.000 0.439 332 V N 0.275 120.009 119.914 -0.300 0.000 2.407 332 V HA -0.220 3.901 4.120 0.002 0.000 0.248 332 V C 2.303 178.296 176.094 -0.168 0.000 1.055 332 V CA 1.999 64.121 62.300 -0.296 0.000 1.049 332 V CB -0.495 31.030 31.823 -0.497 0.000 0.662 332 V HN 0.435 nan 8.190 nan 0.000 0.455 333 S N 0.799 116.417 115.700 -0.137 0.000 2.356 333 S HA -0.245 4.226 4.470 0.002 0.000 0.223 333 S C 2.019 176.582 174.600 -0.062 0.000 1.032 333 S CA 1.995 60.148 58.200 -0.079 0.000 1.005 333 S CB -0.208 62.960 63.200 -0.055 0.000 0.867 333 S HN 0.893 nan 8.310 nan 0.000 0.449 334 E N 0.151 120.314 120.200 -0.062 0.000 2.358 334 E HA 0.060 4.411 4.350 0.002 0.000 0.195 334 E C 1.874 178.444 176.600 -0.050 0.000 1.010 334 E CA 0.752 57.124 56.400 -0.047 0.000 0.856 334 E CB -0.329 29.348 29.700 -0.038 0.000 0.795 334 E HN 0.590 nan 8.360 nan 0.000 0.504 335 I N 1.670 122.201 120.570 -0.065 0.000 2.333 335 I HA -0.184 3.988 4.170 0.002 0.000 0.246 335 I C 2.426 178.513 176.117 -0.051 0.000 1.106 335 I CA 1.326 62.590 61.300 -0.060 0.000 1.411 335 I CB -0.167 37.789 38.000 -0.073 0.000 1.082 335 I HN 0.254 nan 8.210 nan 0.000 0.420 336 S N 0.272 115.940 115.700 -0.052 0.000 2.470 336 S HA 0.123 4.594 4.470 0.002 0.000 0.225 336 S C 1.767 176.350 174.600 -0.029 0.000 1.006 336 S CA 0.483 58.661 58.200 -0.037 0.000 0.934 336 S CB 0.189 63.369 63.200 -0.033 0.000 0.778 336 S HN 0.578 nan 8.310 nan 0.000 0.517 337 G N 0.351 109.132 108.800 -0.032 0.000 2.160 337 G HA2 -0.262 3.699 3.960 0.002 0.000 0.251 337 G HA3 -0.262 3.699 3.960 0.002 0.000 0.251 337 G C -0.178 174.711 174.900 -0.019 0.000 1.008 337 G CA 0.315 45.401 45.100 -0.024 0.000 0.724 337 G HN 0.651 nan 8.290 nan 0.000 0.514 338 Q N 0.754 120.541 119.800 -0.022 0.000 2.257 338 Q HA 0.562 4.903 4.340 0.002 0.000 0.255 338 Q C -1.881 174.109 176.000 -0.016 0.000 0.920 338 Q CA -1.996 53.798 55.803 -0.015 0.000 0.927 338 Q CB 1.932 30.662 28.738 -0.013 0.000 1.229 338 Q HN 0.304 nan 8.270 nan 0.000 0.433 339 P HA 0.113 nan 4.420 nan 0.000 0.274 339 P C -0.566 176.735 177.300 0.001 0.000 1.231 339 P CA -0.100 62.998 63.100 -0.004 0.000 0.790 339 P CB 0.802 32.502 31.700 0.000 0.000 0.951 340 I N 4.217 124.791 120.570 0.007 0.000 2.505 340 I HA 0.091 4.262 4.170 0.002 0.000 0.287 340 I C -1.190 174.942 176.117 0.026 0.000 1.104 340 I CA -1.638 59.675 61.300 0.021 0.000 1.387 340 I CB 0.139 38.161 38.000 0.036 0.000 1.404 340 I HN 0.257 nan 8.210 nan 0.000 0.528 341 P HA 0.058 nan 4.420 nan 0.000 0.272 341 P C 0.447 177.763 177.300 0.026 0.000 1.240 341 P CA -0.335 62.780 63.100 0.025 0.000 0.791 341 P CB 0.987 32.703 31.700 0.026 0.000 0.978 342 A N 1.833 124.663 122.820 0.017 0.000 2.024 342 A HA -0.193 4.128 4.320 0.002 0.000 0.220 342 A C 2.260 179.851 177.584 0.012 0.000 1.164 342 A CA 2.226 54.270 52.037 0.011 0.000 0.643 342 A CB -1.580 17.424 19.000 0.007 0.000 0.806 342 A HN 0.704 nan 8.150 nan 0.000 0.451 343 S N -0.038 115.674 115.700 0.021 0.000 2.368 343 S HA -0.069 4.402 4.470 0.002 0.000 0.224 343 S C 1.831 176.453 174.600 0.037 0.000 1.029 343 S CA 1.419 59.633 58.200 0.024 0.000 0.988 343 S CB -0.647 62.571 63.200 0.030 0.000 0.838 343 S HN 0.459 nan 8.310 nan 0.000 0.462 344 L N 1.096 122.357 121.223 0.064 0.000 2.179 344 L HA -0.015 4.326 4.340 0.002 0.000 0.208 344 L C 2.845 179.751 176.870 0.061 0.000 1.096 344 L CA 1.276 56.190 54.840 0.124 0.000 0.779 344 L CB -1.023 41.138 42.059 0.171 0.000 0.922 344 L HN 0.359 nan 8.230 nan 0.000 0.443 345 T N -0.483 114.084 114.554 0.023 0.000 2.788 345 T HA -0.227 4.124 4.350 0.002 0.000 0.268 345 T C 1.896 176.550 174.700 -0.077 0.000 1.044 345 T CA 1.438 63.522 62.100 -0.026 0.000 1.139 345 T CB -0.019 68.845 68.868 -0.006 0.000 0.867 345 T HN 0.229 nan 8.240 nan 0.000 0.454 346 K N 1.103 121.472 120.400 -0.052 0.000 2.031 346 K HA -0.057 4.264 4.320 0.002 0.000 0.205 346 K C 2.341 178.883 176.600 -0.097 0.000 1.049 346 K CA 1.306 57.557 56.287 -0.060 0.000 0.939 346 K CB -0.074 32.409 32.500 -0.029 0.000 0.717 346 K HN 0.310 nan 8.250 nan 0.000 0.438 347 E N 0.514 120.661 120.200 -0.089 0.000 2.160 347 E HA -0.250 4.102 4.350 0.002 0.000 0.195 347 E C 2.131 178.532 176.600 -0.331 0.000 0.991 347 E CA 1.002 57.338 56.400 -0.107 0.000 0.810 347 E CB 0.039 29.753 29.700 0.024 0.000 0.742 347 E HN 0.228 nan 8.360 nan 0.000 0.466 348 R N -0.432 119.706 120.500 -0.604 0.000 2.075 348 R HA -0.094 4.247 4.340 0.002 0.000 0.232 348 R C 2.311 178.371 176.300 -0.401 0.000 1.126 348 R CA 1.422 56.962 56.100 -0.933 0.000 0.963 348 R CB -0.399 29.430 30.300 -0.786 0.000 0.858 348 R HN 0.237 nan 8.270 nan 0.000 0.435 349 G N 0.597 109.255 108.800 -0.237 0.000 2.421 349 G HA2 -0.196 3.765 3.960 0.002 0.000 0.217 349 G HA3 -0.196 3.765 3.960 0.002 0.000 0.217 349 G C 1.353 176.195 174.900 -0.097 0.000 1.143 349 G CA 0.088 45.110 45.100 -0.131 0.000 0.784 349 G HN 0.257 nan 8.290 nan 0.000 0.541 350 R N -0.371 120.068 120.500 -0.101 0.000 2.090 350 R HA 0.062 4.403 4.340 0.002 0.000 0.228 350 R C 2.396 178.668 176.300 -0.048 0.000 1.110 350 R CA 0.786 56.851 56.100 -0.058 0.000 0.973 350 R CB -0.771 29.501 30.300 -0.046 0.000 0.869 350 R HN 0.414 nan 8.270 nan 0.000 0.440 351 L N 1.139 122.315 121.223 -0.078 0.000 2.046 351 L HA -0.100 4.242 4.340 0.002 0.000 0.208 351 L C 2.075 178.944 176.870 -0.003 0.000 1.077 351 L CA 1.522 56.344 54.840 -0.030 0.000 0.747 351 L CB -0.340 41.690 42.059 -0.048 0.000 0.896 351 L HN -0.152 nan 8.230 nan 0.000 0.432 352 V N -0.015 119.875 119.914 -0.040 0.000 2.515 352 V HA -0.239 3.883 4.120 0.002 0.000 0.250 352 V C 2.287 178.379 176.094 -0.003 0.000 1.058 352 V CA 1.704 63.995 62.300 -0.016 0.000 1.064 352 V CB -0.749 31.050 31.823 -0.040 0.000 0.675 352 V HN 0.581 nan 8.190 nan 0.000 0.461 353 D N -0.107 120.287 120.400 -0.011 0.000 2.117 353 D HA -0.194 4.447 4.640 0.002 0.000 0.198 353 D C 2.163 178.476 176.300 0.022 0.000 0.982 353 D CA 1.543 55.545 54.000 0.003 0.000 0.828 353 D CB -0.127 40.669 40.800 -0.007 0.000 0.967 353 D HN 0.346 nan 8.370 nan 0.000 0.464 354 M N -0.659 118.955 119.600 0.024 0.000 2.159 354 M HA -0.107 4.374 4.480 0.002 0.000 0.263 354 M C 2.275 178.608 176.300 0.056 0.000 1.063 354 M CA 1.133 56.456 55.300 0.038 0.000 1.110 354 M CB -0.189 32.435 32.600 0.041 0.000 1.374 354 M HN 0.155 nan 8.290 nan 0.000 0.411 355 M N -0.404 119.231 119.600 0.057 0.000 2.159 355 M HA -0.158 4.324 4.480 0.002 0.000 0.263 355 M C 2.319 178.678 176.300 0.098 0.000 1.063 355 M CA 2.101 57.436 55.300 0.059 0.000 1.110 355 M CB -0.631 31.992 32.600 0.038 0.000 1.374 355 M HN 0.430 nan 8.290 nan 0.000 0.411 356 T N -2.715 111.894 114.554 0.093 0.000 2.985 356 T HA -0.075 4.276 4.350 0.002 0.000 0.266 356 T C 1.249 176.077 174.700 0.213 0.000 1.076 356 T CA 1.186 63.385 62.100 0.165 0.000 1.135 356 T CB -0.346 68.563 68.868 0.068 0.000 0.890 356 T HN 0.215 nan 8.240 nan 0.000 0.480 357 D N 1.471 121.931 120.400 0.101 0.000 2.183 357 D HA 0.059 4.700 4.640 0.002 0.000 0.203 357 D C 1.990 178.310 176.300 0.033 0.000 0.969 357 D CA 0.889 54.922 54.000 0.055 0.000 0.842 357 D CB -0.162 40.664 40.800 0.044 0.000 0.957 357 D HN 0.431 nan 8.370 nan 0.000 0.484 358 S N -0.320 115.416 115.700 0.062 0.000 2.524 358 S HA -0.045 4.427 4.470 0.002 0.000 0.215 358 S C 1.616 176.240 174.600 0.040 0.000 0.986 358 S CA -0.393 57.852 58.200 0.076 0.000 0.911 358 S CB -0.058 63.194 63.200 0.086 0.000 0.805 358 S HN 0.481 nan 8.310 nan 0.000 0.501 359 H N 1.781 120.857 119.070 0.010 0.000 2.457 359 H HA -0.090 4.468 4.556 0.003 0.000 0.297 359 H C 1.891 177.204 175.328 -0.024 0.000 1.092 359 H CA 1.741 57.782 56.048 -0.013 0.000 1.309 359 H CB -1.080 28.656 29.762 -0.043 0.000 1.382 359 H HN 0.480 nan 8.280 nan 0.000 0.535 360 T N -2.751 111.480 114.554 -0.538 0.000 2.915 360 T HA -0.142 4.209 4.350 0.002 0.000 0.269 360 T C 1.716 176.185 174.700 -0.386 0.000 1.071 360 T CA 0.913 62.713 62.100 -0.500 0.000 1.132 360 T CB -0.631 67.800 68.868 -0.729 0.000 0.878 360 T HN 0.556 nan 8.240 nan 0.000 0.479 361 W N 0.377 121.645 121.300 -0.054 0.000 2.812 361 W HA 0.486 5.147 4.660 0.001 0.000 0.263 361 W C 1.977 178.515 176.519 0.031 0.000 1.284 361 W CA -0.648 56.693 57.345 -0.007 0.000 1.430 361 W CB 0.109 29.554 29.460 -0.024 0.000 1.088 361 W HN 0.155 nan 8.180 nan 0.000 0.623 362 L N -0.791 120.567 121.223 0.226 0.000 2.249 362 L HA -0.009 4.332 4.340 0.002 0.000 0.207 362 L C 1.429 178.379 176.870 0.133 0.000 1.090 362 L CA 0.372 55.309 54.840 0.161 0.000 0.802 362 L CB -0.746 41.360 42.059 0.078 0.000 0.947 362 L HN -0.036 nan 8.230 nan 0.000 0.453 363 H N 0.874 119.968 119.070 0.039 0.000 3.070 363 H HA -0.007 4.550 4.556 0.002 0.000 0.313 363 H C 1.044 176.416 175.328 0.073 0.000 0.997 363 H CA 1.179 57.247 56.048 0.034 0.000 1.438 363 H CB 0.785 30.580 29.762 0.055 0.000 1.455 363 H HN 0.361 nan 8.280 nan 0.000 0.575 364 G N 4.270 112.885 108.800 -0.309 0.000 2.184 364 G HA2 -0.295 3.667 3.960 0.002 0.000 0.264 364 G HA3 -0.295 3.667 3.960 0.002 0.000 0.264 364 G C 0.348 175.221 174.900 -0.046 0.000 0.975 364 G CA 0.473 45.483 45.100 -0.150 0.000 0.642 364 G HN 0.579 nan 8.290 nan 0.000 0.536 365 K N 0.930 121.317 120.400 -0.021 0.000 2.416 365 K HA 0.478 4.799 4.320 0.002 0.000 0.283 365 K C 0.882 177.346 176.600 -0.228 0.000 1.037 365 K CA 0.072 56.297 56.287 -0.103 0.000 0.995 365 K CB 0.272 32.747 32.500 -0.041 0.000 0.938 365 K HN 0.411 nan 8.250 nan 0.000 0.475 366 R N 3.291 123.582 120.500 -0.347 0.000 2.265 366 R HA 0.369 4.710 4.340 0.002 0.000 0.319 366 R C -0.738 175.298 176.300 -0.441 0.000 1.006 366 R CA -0.368 55.570 56.100 -0.270 0.000 0.880 366 R CB 0.618 30.819 30.300 -0.164 0.000 1.077 366 R HN 0.380 nan 8.270 nan 0.000 0.454 367 F N 0.882 120.860 119.950 0.046 0.000 2.551 367 F HA 0.567 5.095 4.527 0.002 0.000 0.316 367 F C 0.190 176.053 175.800 0.105 0.000 1.089 367 F CA -0.984 57.074 58.000 0.097 0.000 0.915 367 F CB 1.990 41.041 39.000 0.086 0.000 1.186 367 F HN 0.453 nan 8.300 nan 0.000 0.456 368 A N 3.489 126.548 122.820 0.398 0.000 2.324 368 A HA 0.961 5.282 4.320 0.002 0.000 0.330 368 A C -1.206 176.649 177.584 0.451 0.000 1.165 368 A CA -0.565 51.736 52.037 0.440 0.000 0.813 368 A CB 0.953 20.234 19.000 0.468 0.000 1.197 368 A HN 0.880 nan 8.150 nan 0.000 0.484 369 L N -1.143 120.355 121.223 0.459 0.000 2.582 369 L HA 0.985 5.326 4.340 0.002 0.000 0.257 369 L C -1.032 176.155 176.870 0.527 0.000 0.974 369 L CA -0.705 54.350 54.840 0.358 0.000 0.851 369 L CB 1.026 43.175 42.059 0.151 0.000 1.424 369 L HN 0.998 nan 8.230 nan 0.000 0.412 370 W N 0.800 122.249 121.300 0.250 0.000 3.038 370 W HA 1.020 5.681 4.660 0.002 0.000 0.347 370 W C -0.148 176.579 176.519 0.347 0.000 1.219 370 W CA -0.391 57.106 57.345 0.254 0.000 1.142 370 W CB 0.926 30.506 29.460 0.199 0.000 1.484 370 W HN 1.117 nan 8.180 nan 0.000 0.586 371 G N 0.150 109.270 108.800 0.533 0.000 2.350 371 G HA2 0.177 4.138 3.960 0.002 0.000 0.282 371 G HA3 0.177 4.138 3.960 0.002 0.000 0.282 371 G C -1.705 173.381 174.900 0.310 0.000 1.314 371 G CA -0.885 44.476 45.100 0.435 0.000 0.915 371 G HN 0.598 nan 8.290 nan 0.000 0.499 372 D N 0.773 121.332 120.400 0.264 0.000 2.357 372 D HA 0.405 5.046 4.640 0.002 0.000 0.242 372 D C -1.170 175.162 176.300 0.052 0.000 1.153 372 D CA -1.224 52.830 54.000 0.090 0.000 0.918 372 D CB 1.367 42.199 40.800 0.054 0.000 1.181 372 D HN -0.010 nan 8.370 nan 0.000 0.435 373 P HA -0.121 nan 4.420 nan 0.000 0.215 373 P C 0.303 177.672 177.300 0.116 0.000 1.157 373 P CA 1.398 64.193 63.100 -0.508 0.000 0.868 373 P CB 0.291 31.533 31.700 -0.763 0.000 0.788 374 D N -1.756 118.801 120.400 0.261 0.000 2.123 374 D HA -0.131 4.510 4.640 0.002 0.000 0.200 374 D C 1.598 178.094 176.300 0.326 0.000 0.976 374 D CA 0.622 54.835 54.000 0.355 0.000 0.831 374 D CB -0.820 40.148 40.800 0.281 0.000 0.974 374 D HN 0.073 nan 8.370 nan 0.000 0.469 375 F N 1.317 121.374 119.950 0.178 0.000 2.126 375 F HA -0.213 4.315 4.527 0.002 0.000 0.299 375 F C 1.910 177.814 175.800 0.173 0.000 1.096 375 F CA 1.096 59.184 58.000 0.147 0.000 1.255 375 F CB -0.374 38.700 39.000 0.122 0.000 0.997 375 F HN -0.169 nan 8.300 nan 0.000 0.479 376 V N 2.062 122.011 119.914 0.059 0.000 2.358 376 V HA -0.338 3.783 4.120 0.002 0.000 0.246 376 V C 2.524 178.692 176.094 0.124 0.000 1.047 376 V CA 2.144 64.465 62.300 0.035 0.000 1.035 376 V CB -0.810 31.211 31.823 0.330 0.000 0.658 376 V HN 0.607 nan 8.190 nan 0.000 0.452 377 M N 0.107 119.904 119.600 0.329 0.000 2.319 377 M HA 0.118 4.600 4.480 0.002 0.000 0.265 377 M C 1.994 178.428 176.300 0.223 0.000 1.068 377 M CA 2.127 57.585 55.300 0.263 0.000 1.118 377 M CB -0.898 31.895 32.600 0.321 0.000 1.395 377 M HN 0.175 nan 8.290 nan 0.000 0.435 378 G N 1.247 110.178 108.800 0.218 0.000 2.430 378 G HA2 -0.070 3.892 3.960 0.002 0.000 0.216 378 G HA3 -0.070 3.892 3.960 0.002 0.000 0.216 378 G C 1.388 176.192 174.900 -0.160 0.000 1.146 378 G CA 0.419 45.566 45.100 0.078 0.000 0.793 378 G HN 0.391 nan 8.290 nan 0.000 0.537 379 L N 0.675 121.749 121.223 -0.249 0.000 2.109 379 L HA 0.150 4.491 4.340 0.002 0.000 0.207 379 L C 2.816 179.563 176.870 -0.206 0.000 1.086 379 L CA 1.095 55.760 54.840 -0.292 0.000 0.760 379 L CB -0.314 41.409 42.059 -0.559 0.000 0.910 379 L HN 0.052 nan 8.230 nan 0.000 0.437 380 V N -0.184 119.631 119.914 -0.164 0.000 2.343 380 V HA -0.280 3.841 4.120 0.002 0.000 0.247 380 V C 2.665 178.651 176.094 -0.180 0.000 1.051 380 V CA 1.944 64.168 62.300 -0.127 0.000 1.036 380 V CB -0.523 31.262 31.823 -0.063 0.000 0.654 380 V HN 0.463 nan 8.190 nan 0.000 0.451 381 K N 0.113 120.341 120.400 -0.287 0.000 2.026 381 K HA -0.204 4.117 4.320 0.002 0.000 0.208 381 K C 1.922 178.338 176.600 -0.306 0.000 1.048 381 K CA 1.850 57.867 56.287 -0.450 0.000 0.929 381 K CB -0.640 31.171 32.500 -1.150 0.000 0.713 381 K HN 0.335 nan 8.250 nan 0.000 0.439 382 F N 0.810 120.513 119.950 -0.411 0.000 2.234 382 F HA 0.026 4.554 4.527 0.002 0.000 0.299 382 F C 1.492 177.138 175.800 -0.257 0.000 1.087 382 F CA 1.069 58.882 58.000 -0.312 0.000 1.340 382 F CB -0.198 38.638 39.000 -0.273 0.000 1.031 382 F HN -0.009 nan 8.300 nan 0.000 0.500 383 L N -0.567 120.453 121.223 -0.339 0.000 2.093 383 L HA -0.224 4.118 4.340 0.002 0.000 0.208 383 L C 2.435 179.109 176.870 -0.327 0.000 1.085 383 L CA 0.984 55.586 54.840 -0.397 0.000 0.755 383 L CB -0.698 41.187 42.059 -0.290 0.000 0.904 383 L HN 0.153 nan 8.230 nan 0.000 0.435 384 L N -0.571 120.509 121.223 -0.238 0.000 2.093 384 L HA -0.194 4.147 4.340 0.002 0.000 0.208 384 L C 2.446 179.155 176.870 -0.267 0.000 1.085 384 L CA 1.212 55.940 54.840 -0.187 0.000 0.755 384 L CB -0.475 41.531 42.059 -0.088 0.000 0.904 384 L HN 0.292 nan 8.230 nan 0.000 0.435 385 E N 0.174 120.215 120.200 -0.265 0.000 2.150 385 E HA -0.170 4.182 4.350 0.002 0.000 0.193 385 E C 2.126 178.539 176.600 -0.311 0.000 0.985 385 E CA 0.871 57.133 56.400 -0.230 0.000 0.814 385 E CB -0.040 29.583 29.700 -0.127 0.000 0.752 385 E HN 0.507 nan 8.360 nan 0.000 0.466 386 L N -0.441 120.504 121.223 -0.464 0.000 2.554 386 L HA 0.113 4.454 4.340 0.002 0.000 0.226 386 L C 1.282 177.932 176.870 -0.366 0.000 1.137 386 L CA 0.386 54.976 54.840 -0.417 0.000 0.863 386 L CB -0.051 41.683 42.059 -0.541 0.000 0.985 386 L HN 0.269 nan 8.230 nan 0.000 0.451 387 G N -0.431 108.011 108.800 -0.598 0.000 2.149 387 G HA2 -0.232 3.729 3.960 0.002 0.000 0.235 387 G HA3 -0.232 3.729 3.960 0.002 0.000 0.235 387 G C 0.057 174.448 174.900 -0.849 0.000 1.018 387 G CA -0.085 44.353 45.100 -1.103 0.000 0.728 387 G HN 0.322 nan 8.290 nan 0.000 0.508 388 C N -0.033 118.996 119.300 -0.451 0.000 2.358 388 C HA 0.686 5.148 4.460 0.002 0.000 0.354 388 C C 0.564 175.572 174.990 0.030 0.000 1.183 388 C CA -0.765 58.200 59.018 -0.089 0.000 2.150 388 C CB 1.506 29.322 27.740 0.126 0.000 2.361 388 C HN 0.535 nan 8.230 nan 0.000 0.535 389 E N 2.671 122.955 120.200 0.139 0.000 2.055 389 E HA 0.202 4.554 4.350 0.002 0.000 0.274 389 E C -2.313 174.386 176.600 0.164 0.000 0.949 389 E CA -1.340 55.142 56.400 0.136 0.000 0.775 389 E CB 0.967 30.715 29.700 0.080 0.000 1.097 389 E HN 0.431 nan 8.360 nan 0.000 0.404 390 P HA 0.016 nan 4.420 nan 0.000 0.244 390 P C 0.738 178.088 177.300 0.084 0.000 1.769 390 P CA 0.035 63.215 63.100 0.132 0.000 1.102 390 P CB 0.532 32.271 31.700 0.064 0.000 1.937 391 V N 1.878 121.806 119.914 0.023 0.000 2.343 391 V HA -0.139 3.982 4.120 0.002 0.000 0.247 391 V C 0.980 176.998 176.094 -0.127 0.000 1.051 391 V CA 1.699 63.911 62.300 -0.146 0.000 1.036 391 V CB -0.954 30.672 31.823 -0.329 0.000 0.654 391 V HN 0.546 nan 8.190 nan 0.000 0.451 392 H N 0.005 119.218 119.070 0.239 0.000 2.860 392 H HA 0.435 4.992 4.556 0.002 0.000 0.312 392 H C -0.765 174.764 175.328 0.334 0.000 0.995 392 H CA -1.036 55.203 56.048 0.318 0.000 1.311 392 H CB 1.076 30.974 29.762 0.227 0.000 1.478 392 H HN 0.075 nan 8.280 nan 0.000 0.508 393 I N 4.826 125.691 120.570 0.490 0.000 2.328 393 I HA 0.128 4.299 4.170 0.002 0.000 0.287 393 I C 0.029 176.454 176.117 0.513 0.000 1.012 393 I CA -0.526 61.022 61.300 0.413 0.000 1.195 393 I CB 1.254 39.423 38.000 0.281 0.000 1.350 393 I HN 0.313 nan 8.210 nan 0.000 0.464 394 L N 7.469 128.970 121.223 0.464 0.000 2.341 394 L HA 0.545 4.886 4.340 0.002 0.000 0.278 394 L C -1.124 175.965 176.870 0.366 0.000 1.005 394 L CA -0.237 54.844 54.840 0.401 0.000 0.818 394 L CB 1.709 43.940 42.059 0.287 0.000 1.259 394 L HN 0.773 nan 8.230 nan 0.000 0.418 395 C N 4.766 124.229 119.300 0.272 0.000 3.078 395 C HA 0.279 4.740 4.460 0.002 0.000 0.320 395 C C 1.412 176.471 174.990 0.116 0.000 1.039 395 C CA -0.601 58.482 59.018 0.108 0.000 1.386 395 C CB -0.237 27.345 27.740 -0.263 0.000 1.836 395 C HN 1.077 nan 8.230 nan 0.000 0.514 396 H N 3.402 122.498 119.070 0.044 0.000 2.353 396 H HA -0.124 4.434 4.556 0.002 0.000 0.298 396 H C 1.481 176.803 175.328 -0.011 0.000 1.103 396 H CA 2.089 58.151 56.048 0.024 0.000 1.293 396 H CB 0.478 30.259 29.762 0.032 0.000 1.372 396 H HN 0.809 nan 8.280 nan 0.000 0.501 397 N N 0.570 119.267 118.700 -0.004 0.000 2.313 397 N HA 0.065 4.806 4.740 0.002 0.000 0.207 397 N C 0.386 175.799 175.510 -0.161 0.000 1.141 397 N CA 0.364 53.347 53.050 -0.111 0.000 0.830 397 N CB -0.132 38.265 38.487 -0.149 0.000 1.008 397 N HN 0.187 nan 8.380 nan 0.000 0.481 398 G N 0.537 109.221 108.800 -0.195 0.000 2.539 398 G HA2 0.332 4.294 3.960 0.002 0.000 0.258 398 G HA3 0.332 4.294 3.960 0.002 0.000 0.258 398 G C -0.046 174.846 174.900 -0.012 0.000 1.202 398 G CA -0.535 44.392 45.100 -0.289 0.000 0.851 398 G HN 0.537 nan 8.290 nan 0.000 0.556 399 N N -0.950 117.797 118.700 0.078 0.000 2.525 399 N HA 0.297 5.038 4.740 0.002 0.000 0.288 399 N C 0.760 176.388 175.510 0.198 0.000 1.242 399 N CA -1.020 52.120 53.050 0.150 0.000 0.905 399 N CB 1.642 40.239 38.487 0.184 0.000 1.258 399 N HN 0.363 nan 8.380 nan 0.000 0.551 400 K N -0.240 120.255 120.400 0.159 0.000 2.103 400 K HA -0.047 4.274 4.320 0.002 0.000 0.207 400 K C 1.571 178.249 176.600 0.129 0.000 1.048 400 K CA 1.342 57.707 56.287 0.131 0.000 0.930 400 K CB -0.101 32.462 32.500 0.105 0.000 0.716 400 K HN 0.445 nan 8.250 nan 0.000 0.444 401 R N -0.705 119.913 120.500 0.196 0.000 2.115 401 R HA -0.144 4.197 4.340 0.002 0.000 0.226 401 R C 2.041 178.403 176.300 0.103 0.000 1.100 401 R CA 1.354 57.602 56.100 0.246 0.000 0.980 401 R CB -0.323 30.243 30.300 0.443 0.000 0.875 401 R HN 0.352 nan 8.270 nan 0.000 0.445 402 W N 2.689 123.776 121.300 -0.354 0.000 2.355 402 W HA -0.153 4.508 4.660 0.002 0.000 0.309 402 W C 2.156 178.402 176.519 -0.456 0.000 1.206 402 W CA 1.260 58.006 57.345 -0.998 0.000 1.284 402 W CB -0.050 28.879 29.460 -0.884 0.000 1.145 402 W HN -0.119 nan 8.180 nan 0.000 0.502 403 K N 0.751 121.085 120.400 -0.110 0.000 2.063 403 K HA -0.270 4.052 4.320 0.002 0.000 0.208 403 K C 2.190 178.631 176.600 -0.266 0.000 1.048 403 K CA 1.892 58.061 56.287 -0.196 0.000 0.928 403 K CB -0.397 32.122 32.500 0.032 0.000 0.713 403 K HN 0.113 nan 8.250 nan 0.000 0.442 404 K N -0.161 120.149 120.400 -0.151 0.000 2.148 404 K HA -0.067 4.254 4.320 0.002 0.000 0.204 404 K C 1.846 178.363 176.600 -0.138 0.000 1.050 404 K CA 1.030 57.256 56.287 -0.102 0.000 0.942 404 K CB -0.065 32.428 32.500 -0.012 0.000 0.724 404 K HN 0.224 nan 8.250 nan 0.000 0.446 405 A N 0.250 122.946 122.820 -0.206 0.000 1.969 405 A HA -0.059 4.263 4.320 0.002 0.000 0.218 405 A C 2.053 179.476 177.584 -0.270 0.000 1.169 405 A CA 1.207 53.144 52.037 -0.166 0.000 0.635 405 A CB -0.190 18.755 19.000 -0.092 0.000 0.810 405 A HN 0.156 nan 8.150 nan 0.000 0.445 406 V N 0.117 119.721 119.914 -0.517 0.000 2.649 406 V HA -0.118 4.004 4.120 0.002 0.000 0.248 406 V C 1.842 177.778 176.094 -0.264 0.000 1.054 406 V CA 1.727 63.745 62.300 -0.471 0.000 1.073 406 V CB -0.549 30.757 31.823 -0.861 0.000 0.699 406 V HN 0.441 nan 8.190 nan 0.000 0.463 407 D N 0.846 121.106 120.400 -0.233 0.000 2.178 407 D HA -0.085 4.557 4.640 0.002 0.000 0.202 407 D C 2.201 178.448 176.300 -0.088 0.000 0.974 407 D CA 1.487 55.404 54.000 -0.139 0.000 0.841 407 D CB -0.058 40.672 40.800 -0.117 0.000 0.953 407 D HN 0.438 nan 8.370 nan 0.000 0.478 408 A N 1.281 124.053 122.820 -0.080 0.000 1.898 408 A HA -0.107 4.214 4.320 0.002 0.000 0.216 408 A C 2.296 179.873 177.584 -0.012 0.000 1.181 408 A CA 1.075 53.091 52.037 -0.034 0.000 0.620 408 A CB -0.716 18.274 19.000 -0.017 0.000 0.819 408 A HN 0.407 nan 8.150 nan 0.000 0.442 409 I N -3.030 117.533 120.570 -0.011 0.000 2.761 409 I HA -0.050 4.122 4.170 0.002 0.000 0.261 409 I C 1.905 178.022 176.117 0.001 0.000 1.198 409 I CA 0.966 62.285 61.300 0.032 0.000 1.482 409 I CB -0.256 37.801 38.000 0.095 0.000 1.100 409 I HN 0.179 nan 8.210 nan 0.000 0.445 410 L N 1.537 122.742 121.223 -0.031 0.000 2.109 410 L HA -0.021 4.320 4.340 0.002 0.000 0.207 410 L C 3.069 179.929 176.870 -0.017 0.000 1.086 410 L CA 1.176 56.000 54.840 -0.027 0.000 0.760 410 L CB -0.664 41.368 42.059 -0.045 0.000 0.910 410 L HN 0.348 nan 8.230 nan 0.000 0.437 411 A N 0.152 122.959 122.820 -0.022 0.000 1.972 411 A HA -0.105 4.216 4.320 0.002 0.000 0.219 411 A C 2.356 179.936 177.584 -0.008 0.000 1.169 411 A CA 1.537 53.563 52.037 -0.019 0.000 0.635 411 A CB -0.530 18.458 19.000 -0.019 0.000 0.810 411 A HN 0.381 nan 8.150 nan 0.000 0.446 412 A N -1.293 121.530 122.820 0.005 0.000 2.235 412 A HA 0.363 4.685 4.320 0.002 0.000 0.208 412 A C 1.149 178.745 177.584 0.021 0.000 1.172 412 A CA 0.943 52.990 52.037 0.016 0.000 0.786 412 A CB -0.296 18.724 19.000 0.033 0.000 0.804 412 A HN 0.422 nan 8.150 nan 0.000 0.479 413 S N -1.302 114.409 115.700 0.019 0.000 2.526 413 S HA 0.560 5.031 4.470 0.002 0.000 0.293 413 S C -2.396 172.198 174.600 -0.011 0.000 1.092 413 S CA -1.381 56.845 58.200 0.042 0.000 0.980 413 S CB 1.611 64.863 63.200 0.087 0.000 1.048 413 S HN 0.007 nan 8.310 nan 0.000 0.483 414 P HA 0.069 nan 4.420 nan 0.000 0.229 414 P C 0.092 177.170 177.300 -0.370 0.000 1.160 414 P CA 0.812 63.761 63.100 -0.251 0.000 0.777 414 P CB -0.033 31.456 31.700 -0.351 0.000 0.814 415 Y N -1.204 119.069 120.300 -0.046 0.000 2.546 415 Y HA 0.225 4.777 4.550 0.002 0.000 0.287 415 Y C 2.263 178.133 175.900 -0.049 0.000 1.158 415 Y CA 0.559 58.623 58.100 -0.060 0.000 1.307 415 Y CB -0.559 37.857 38.460 -0.072 0.000 1.036 415 Y HN -0.053 nan 8.280 nan 0.000 0.532 416 G N -0.627 108.202 108.800 0.049 0.000 3.434 416 G HA2 0.005 3.966 3.960 0.002 0.000 0.258 416 G HA3 0.005 3.966 3.960 0.002 0.000 0.258 416 G C 1.421 176.311 174.900 -0.017 0.000 1.128 416 G CA -0.178 44.932 45.100 0.016 0.000 0.792 416 G HN 0.035 nan 8.290 nan 0.000 0.539 417 K N 0.884 121.261 120.400 -0.039 0.000 2.228 417 K HA 0.046 4.367 4.320 0.002 0.000 0.202 417 K C 1.101 177.680 176.600 -0.034 0.000 1.051 417 K CA 0.391 56.651 56.287 -0.046 0.000 0.960 417 K CB 0.112 32.572 32.500 -0.067 0.000 0.743 417 K HN 0.253 nan 8.250 nan 0.000 0.458 418 N N 0.520 119.203 118.700 -0.028 0.000 2.235 418 N HA 0.074 4.815 4.740 0.002 0.000 0.209 418 N C -0.138 175.365 175.510 -0.012 0.000 1.122 418 N CA -0.001 53.037 53.050 -0.021 0.000 0.845 418 N CB 0.853 39.323 38.487 -0.028 0.000 1.004 418 N HN -0.001 nan 8.380 nan 0.000 0.499 419 A N 0.630 123.445 122.820 -0.007 0.000 2.310 419 A HA 0.645 4.966 4.320 0.002 0.000 0.299 419 A C 0.035 177.620 177.584 0.001 0.000 1.147 419 A CA 0.048 52.091 52.037 0.010 0.000 0.818 419 A CB 0.717 19.724 19.000 0.011 0.000 1.096 419 A HN 0.015 nan 8.150 nan 0.000 0.495 420 T N 1.294 115.869 114.554 0.036 0.000 2.916 420 T HA 0.493 4.844 4.350 0.002 0.000 0.298 420 T C -0.728 173.869 174.700 -0.171 0.000 1.031 420 T CA -0.386 61.640 62.100 -0.124 0.000 0.993 420 T CB 1.476 70.210 68.868 -0.223 0.000 1.045 420 T HN 0.461 nan 8.240 nan 0.000 0.454 421 V N 3.549 123.311 119.914 -0.252 0.000 2.394 421 V HA 0.453 4.574 4.120 0.002 0.000 0.282 421 V C -1.217 174.750 176.094 -0.210 0.000 1.031 421 V CA -0.724 61.519 62.300 -0.096 0.000 0.881 421 V CB 0.483 32.260 31.823 -0.078 0.000 0.982 421 V HN 0.822 nan 8.190 nan 0.000 0.451 422 Y N 5.246 125.663 120.300 0.194 0.000 2.338 422 Y HA 0.663 5.214 4.550 0.002 0.000 0.328 422 Y C 0.245 176.246 175.900 0.168 0.000 0.965 422 Y CA -0.805 57.390 58.100 0.159 0.000 1.208 422 Y CB 1.431 39.974 38.460 0.139 0.000 1.132 422 Y HN 0.635 nan 8.280 nan 0.000 0.469 423 I N -1.051 119.677 120.570 0.263 0.000 2.525 423 I HA 0.894 5.065 4.170 0.002 0.000 0.301 423 I C 0.949 177.160 176.117 0.157 0.000 0.992 423 I CA -0.701 60.724 61.300 0.210 0.000 1.162 423 I CB 1.951 40.072 38.000 0.202 0.000 1.332 423 I HN 0.722 nan 8.210 nan 0.000 0.458 424 G N 3.061 111.967 108.800 0.176 0.000 2.184 424 G HA2 -0.215 3.746 3.960 0.002 0.000 0.264 424 G HA3 -0.215 3.746 3.960 0.002 0.000 0.264 424 G C 0.257 175.239 174.900 0.136 0.000 0.975 424 G CA 0.035 45.260 45.100 0.209 0.000 0.642 424 G HN 0.653 nan 8.290 nan 0.000 0.536 425 K N 1.206 121.580 120.400 -0.042 0.000 2.095 425 K HA 0.587 4.909 4.320 0.002 0.000 0.252 425 K C 0.170 176.536 176.600 -0.391 0.000 0.977 425 K CA 0.103 56.188 56.287 -0.336 0.000 0.900 425 K CB 1.509 33.710 32.500 -0.499 0.000 1.060 425 K HN 0.515 nan 8.250 nan 0.000 0.449 426 D N -1.162 119.099 120.400 -0.232 0.000 2.689 426 D HA 0.207 4.848 4.640 0.002 0.000 0.255 426 D C 1.049 177.192 176.300 -0.262 0.000 1.113 426 D CA -0.761 52.982 54.000 -0.428 0.000 1.115 426 D CB 0.292 40.797 40.800 -0.491 0.000 1.334 426 D HN 0.228 nan 8.370 nan 0.000 0.621 427 L N -0.757 120.291 121.223 -0.291 0.000 2.362 427 L HA 0.013 4.354 4.340 0.002 0.000 0.219 427 L C 1.660 178.445 176.870 -0.141 0.000 1.134 427 L CA 0.506 55.158 54.840 -0.314 0.000 0.807 427 L CB -0.234 41.611 42.059 -0.357 0.000 0.927 427 L HN 0.471 nan 8.230 nan 0.000 0.447 428 W N 0.588 121.710 121.300 -0.297 0.000 2.476 428 W HA -0.112 4.549 4.660 0.002 0.000 0.281 428 W C 2.236 178.595 176.519 -0.267 0.000 1.230 428 W CA 0.945 58.137 57.345 -0.255 0.000 1.287 428 W CB -0.030 29.258 29.460 -0.287 0.000 1.108 428 W HN 0.288 nan 8.180 nan 0.000 0.567 429 H N 0.077 118.986 119.070 -0.268 0.000 2.293 429 H HA -0.241 4.317 4.556 0.002 0.000 0.300 429 H C 2.106 177.224 175.328 -0.350 0.000 1.082 429 H CA 2.227 57.977 56.048 -0.496 0.000 1.308 429 H CB -0.541 28.748 29.762 -0.789 0.000 1.375 429 H HN 0.031 nan 8.280 nan 0.000 0.495 430 L N 1.093 122.184 121.223 -0.221 0.000 2.131 430 L HA -0.136 4.206 4.340 0.002 0.000 0.210 430 L C 2.470 179.179 176.870 -0.267 0.000 1.092 430 L CA 1.333 56.020 54.840 -0.255 0.000 0.759 430 L CB -0.482 41.412 42.059 -0.274 0.000 0.903 430 L HN 0.150 nan 8.230 nan 0.000 0.435 431 R N -0.832 119.477 120.500 -0.319 0.000 2.117 431 R HA -0.150 4.191 4.340 0.002 0.000 0.243 431 R C 1.988 178.127 176.300 -0.268 0.000 1.143 431 R CA 1.950 57.827 56.100 -0.372 0.000 0.968 431 R CB -0.448 29.507 30.300 -0.575 0.000 0.863 431 R HN 0.455 nan 8.270 nan 0.000 0.444 432 S N 1.050 116.622 115.700 -0.212 0.000 2.371 432 S HA 0.001 4.472 4.470 0.002 0.000 0.224 432 S C 2.006 176.571 174.600 -0.059 0.000 1.029 432 S CA 0.935 59.108 58.200 -0.045 0.000 0.978 432 S CB -0.110 63.100 63.200 0.016 0.000 0.833 432 S HN 0.291 nan 8.310 nan 0.000 0.466 433 L N 1.724 122.841 121.223 -0.177 0.000 2.131 433 L HA -0.061 4.281 4.340 0.002 0.000 0.210 433 L C 2.291 178.981 176.870 -0.299 0.000 1.092 433 L CA 0.896 55.511 54.840 -0.375 0.000 0.759 433 L CB -0.776 40.809 42.059 -0.789 0.000 0.903 433 L HN 0.325 nan 8.230 nan 0.000 0.435 434 V N -5.424 114.364 119.914 -0.210 0.000 3.461 434 V HA -0.058 4.064 4.120 0.002 0.000 0.267 434 V C 1.886 177.897 176.094 -0.138 0.000 1.186 434 V CA 0.808 63.046 62.300 -0.103 0.000 1.154 434 V CB -0.697 31.038 31.823 -0.147 0.000 0.802 434 V HN 0.211 nan 8.190 nan 0.000 0.474 435 F N 2.157 122.056 119.950 -0.085 0.000 2.274 435 F HA 0.005 4.533 4.527 0.002 0.000 0.288 435 F C 2.797 178.556 175.800 -0.068 0.000 1.069 435 F CA 1.447 59.388 58.000 -0.098 0.000 1.343 435 F CB -0.083 38.793 39.000 -0.207 0.000 1.089 435 F HN 0.281 nan 8.300 nan 0.000 0.517 436 T N -3.612 111.018 114.554 0.126 0.000 3.043 436 T HA -0.055 4.296 4.350 0.002 0.000 0.263 436 T C 0.391 175.140 174.700 0.081 0.000 1.094 436 T CA 0.814 62.950 62.100 0.060 0.000 1.127 436 T CB -0.024 68.845 68.868 0.001 0.000 0.905 436 T HN -0.005 nan 8.240 nan 0.000 0.490 437 D N 0.961 121.433 120.400 0.120 0.000 2.656 437 D HA 0.190 4.831 4.640 0.002 0.000 0.303 437 D C -0.647 175.790 176.300 0.229 0.000 1.199 437 D CA -0.536 53.571 54.000 0.179 0.000 0.797 437 D CB 0.308 41.266 40.800 0.263 0.000 1.170 437 D HN 0.221 nan 8.370 nan 0.000 0.509 438 K N 2.603 123.089 120.400 0.144 0.000 2.437 438 K HA 0.055 4.376 4.320 0.002 0.000 0.277 438 K C -2.141 174.489 176.600 0.051 0.000 1.073 438 K CA -0.603 55.745 56.287 0.102 0.000 1.105 438 K CB 0.537 33.099 32.500 0.103 0.000 0.881 438 K HN 0.241 nan 8.250 nan 0.000 0.475 439 P HA 0.135 nan 4.420 nan 0.000 0.284 439 P C -0.355 176.854 177.300 -0.151 0.000 1.292 439 P CA -0.375 62.695 63.100 -0.051 0.000 0.800 439 P CB 0.807 32.521 31.700 0.023 0.000 1.188 440 D N -1.041 119.198 120.400 -0.269 0.000 2.137 440 D HA 0.085 4.726 4.640 0.002 0.000 0.202 440 D C 0.406 176.228 176.300 -0.797 0.000 0.970 440 D CA 1.597 55.300 54.000 -0.495 0.000 0.837 440 D CB -0.010 40.537 40.800 -0.422 0.000 0.981 440 D HN 0.308 nan 8.370 nan 0.000 0.475 441 F N -1.192 118.661 119.950 -0.163 0.000 2.726 441 F HA 0.469 4.997 4.527 0.002 0.000 0.324 441 F C -0.337 175.574 175.800 0.185 0.000 1.140 441 F CA -1.036 56.983 58.000 0.032 0.000 0.964 441 F CB 1.346 40.421 39.000 0.125 0.000 1.399 441 F HN -0.434 nan 8.300 nan 0.000 0.491 442 M N 2.027 121.899 119.600 0.454 0.000 2.464 442 M HA 0.569 5.050 4.480 0.002 0.000 0.308 442 M C -1.467 174.982 176.300 0.248 0.000 1.127 442 M CA -0.408 55.126 55.300 0.391 0.000 0.913 442 M CB 2.750 35.609 32.600 0.432 0.000 1.689 442 M HN 0.315 nan 8.290 nan 0.000 0.445 443 I N 1.915 122.543 120.570 0.097 0.000 2.355 443 I HA 0.811 4.982 4.170 0.002 0.000 0.288 443 I C 0.224 176.065 176.117 -0.460 0.000 0.999 443 I CA -0.258 60.986 61.300 -0.093 0.000 1.163 443 I CB 1.531 39.477 38.000 -0.088 0.000 1.316 443 I HN 0.891 nan 8.210 nan 0.000 0.454 444 G N 4.422 112.834 108.800 -0.647 0.000 2.489 444 G HA2 0.237 4.199 3.960 0.002 0.000 0.305 444 G HA3 0.237 4.199 3.960 0.002 0.000 0.305 444 G C -1.478 173.080 174.900 -0.569 0.000 1.311 444 G CA -0.787 43.532 45.100 -1.301 0.000 0.813 444 G HN 0.579 nan 8.290 nan 0.000 0.480 445 N N -0.869 117.624 118.700 -0.344 0.000 2.366 445 N HA 0.285 5.026 4.740 0.002 0.000 0.277 445 N C 1.304 176.801 175.510 -0.020 0.000 1.275 445 N CA 0.372 53.346 53.050 -0.128 0.000 0.964 445 N CB 0.354 38.779 38.487 -0.103 0.000 1.167 445 N HN 0.252 nan 8.380 nan 0.000 0.568 446 S N -1.615 113.941 115.700 -0.241 0.000 2.440 446 S HA -0.123 4.349 4.470 0.002 0.000 0.238 446 S C 1.305 175.823 174.600 -0.136 0.000 1.010 446 S CA 0.807 58.860 58.200 -0.246 0.000 0.972 446 S CB -0.833 62.129 63.200 -0.398 0.000 0.774 446 S HN 0.521 nan 8.310 nan 0.000 0.501 447 Y N 1.167 121.552 120.300 0.141 0.000 2.497 447 Y HA -0.032 4.520 4.550 0.002 0.000 0.292 447 Y C 2.523 178.577 175.900 0.256 0.000 1.137 447 Y CA 0.264 58.510 58.100 0.243 0.000 1.285 447 Y CB -0.435 38.160 38.460 0.225 0.000 0.991 447 Y HN 0.369 nan 8.280 nan 0.000 0.556 448 G N 0.812 109.911 108.800 0.499 0.000 2.598 448 G HA2 -0.210 3.751 3.960 0.002 0.000 0.215 448 G HA3 -0.210 3.751 3.960 0.002 0.000 0.215 448 G C 1.602 176.628 174.900 0.210 0.000 1.131 448 G CA 0.590 45.986 45.100 0.493 0.000 0.785 448 G HN 0.490 nan 8.290 nan 0.000 0.539 449 K N -0.252 120.137 120.400 -0.018 0.000 2.209 449 K HA 0.022 4.343 4.320 0.002 0.000 0.204 449 K C 1.777 178.272 176.600 -0.174 0.000 1.048 449 K CA 0.881 57.058 56.287 -0.183 0.000 0.940 449 K CB -0.459 31.799 32.500 -0.404 0.000 0.729 449 K HN 0.353 nan 8.250 nan 0.000 0.451 450 F N 1.393 121.425 119.950 0.137 0.000 2.456 450 F HA 0.109 4.638 4.527 0.003 0.000 0.298 450 F C 2.090 177.955 175.800 0.109 0.000 1.104 450 F CA 0.249 58.325 58.000 0.126 0.000 1.435 450 F CB -0.061 39.029 39.000 0.150 0.000 1.078 450 F HN -0.113 nan 8.300 nan 0.000 0.546 451 I N -0.155 120.547 120.570 0.220 0.000 2.353 451 I HA -0.247 3.924 4.170 0.002 0.000 0.248 451 I C 2.542 178.687 176.117 0.046 0.000 1.119 451 I CA 1.128 62.476 61.300 0.081 0.000 1.417 451 I CB -0.439 37.565 38.000 0.006 0.000 1.078 451 I HN 0.194 nan 8.210 nan 0.000 0.421 452 Q N 1.594 121.439 119.800 0.075 0.000 2.084 452 Q HA -0.247 4.095 4.340 0.002 0.000 0.202 452 Q C 2.246 178.294 176.000 0.079 0.000 0.978 452 Q CA 1.864 57.701 55.803 0.056 0.000 0.844 452 Q CB 0.036 28.809 28.738 0.059 0.000 0.898 452 Q HN 0.475 nan 8.270 nan 0.000 0.426 453 R N -0.030 120.535 120.500 0.108 0.000 2.148 453 R HA -0.053 4.288 4.340 0.002 0.000 0.223 453 R C 1.332 177.748 176.300 0.192 0.000 1.088 453 R CA 1.713 57.891 56.100 0.131 0.000 0.985 453 R CB -0.313 30.064 30.300 0.128 0.000 0.880 453 R HN 0.201 nan 8.270 nan 0.000 0.451 454 D N 0.700 121.244 120.400 0.239 0.000 2.117 454 D HA -0.131 4.510 4.640 0.002 0.000 0.198 454 D C 1.802 178.424 176.300 0.536 0.000 0.982 454 D CA 2.285 56.532 54.000 0.412 0.000 0.828 454 D CB -0.358 40.667 40.800 0.375 0.000 0.967 454 D HN 0.546 nan 8.370 nan 0.000 0.464 455 T N -0.631 114.032 114.554 0.181 0.000 2.867 455 T HA -0.117 4.234 4.350 0.002 0.000 0.268 455 T C 2.002 176.895 174.700 0.321 0.000 1.057 455 T CA 0.487 62.676 62.100 0.148 0.000 1.136 455 T CB -0.398 68.381 68.868 -0.149 0.000 0.874 455 T HN 0.028 nan 8.240 nan 0.000 0.466 456 L N 0.746 122.111 121.223 0.237 0.000 2.156 456 L HA 0.060 4.401 4.340 0.002 0.000 0.208 456 L C 2.461 179.477 176.870 0.242 0.000 1.095 456 L CA 1.592 56.556 54.840 0.205 0.000 0.770 456 L CB -0.962 41.176 42.059 0.133 0.000 0.914 456 L HN 0.458 nan 8.230 nan 0.000 0.439 457 H N -0.451 118.702 119.070 0.138 0.000 2.387 457 H HA -0.209 4.348 4.556 0.002 0.000 0.299 457 H C 2.137 177.494 175.328 0.048 0.000 1.090 457 H CA 1.694 57.721 56.048 -0.035 0.000 1.332 457 H CB 0.400 29.959 29.762 -0.338 0.000 1.386 457 H HN 0.350 nan 8.280 nan 0.000 0.516 458 K N 0.067 120.670 120.400 0.338 0.000 2.148 458 K HA -0.004 4.317 4.320 0.002 0.000 0.204 458 K C 0.290 177.078 176.600 0.313 0.000 1.050 458 K CA 0.934 57.405 56.287 0.307 0.000 0.942 458 K CB 0.234 32.895 32.500 0.267 0.000 0.724 458 K HN 0.452 nan 8.250 nan 0.000 0.446 459 G N -0.826 108.219 108.800 0.409 0.000 2.350 459 G HA2 -0.032 3.929 3.960 0.002 0.000 0.305 459 G HA3 -0.032 3.929 3.960 0.002 0.000 0.305 459 G C -0.596 174.441 174.900 0.230 0.000 1.479 459 G CA -0.713 44.590 45.100 0.338 0.000 0.949 459 G HN -0.176 nan 8.290 nan 0.000 0.651 460 K N -0.070 120.374 120.400 0.074 0.000 2.063 460 K HA -0.094 4.227 4.320 0.002 0.000 0.208 460 K C 2.326 178.868 176.600 -0.096 0.000 1.048 460 K CA 2.155 58.442 56.287 -0.000 0.000 0.928 460 K CB -0.175 32.312 32.500 -0.022 0.000 0.713 460 K HN 0.645 nan 8.250 nan 0.000 0.442 461 E N -0.576 119.465 120.200 -0.264 0.000 2.204 461 E HA -0.131 4.220 4.350 0.002 0.000 0.195 461 E C 1.549 177.833 176.600 -0.527 0.000 0.990 461 E CA 1.102 57.216 56.400 -0.476 0.000 0.821 461 E CB -0.278 28.954 29.700 -0.780 0.000 0.750 461 E HN 0.333 nan 8.360 nan 0.000 0.477 462 F N 0.731 120.702 119.950 0.036 0.000 2.749 462 F HA 0.154 4.683 4.527 0.003 0.000 0.300 462 F C 1.003 176.812 175.800 0.016 0.000 1.103 462 F CA -0.298 57.737 58.000 0.058 0.000 1.342 462 F CB 0.205 39.301 39.000 0.160 0.000 1.098 462 F HN -0.115 nan 8.300 nan 0.000 0.586 463 E N 1.873 122.134 120.200 0.102 0.000 2.366 463 E HA 0.154 4.505 4.350 0.002 0.000 0.266 463 E C -0.845 175.723 176.600 -0.054 0.000 1.015 463 E CA -0.124 56.300 56.400 0.040 0.000 0.906 463 E CB 0.895 30.613 29.700 0.029 0.000 0.979 463 E HN -0.104 nan 8.360 nan 0.000 0.443 464 V N 7.853 127.732 119.914 -0.059 0.000 2.293 464 V HA 0.247 4.368 4.120 0.002 0.000 0.275 464 V C -2.210 173.868 176.094 -0.025 0.000 1.021 464 V CA -1.916 60.325 62.300 -0.100 0.000 0.815 464 V CB 0.988 32.767 31.823 -0.073 0.000 1.025 464 V HN 0.711 nan 8.190 nan 0.000 0.448 465 P HA 0.112 nan 4.420 nan 0.000 0.268 465 P C -0.488 176.964 177.300 0.253 0.000 1.205 465 P CA -0.226 62.960 63.100 0.142 0.000 0.771 465 P CB 0.657 32.505 31.700 0.248 0.000 0.858 466 L N 4.392 125.729 121.223 0.190 0.000 2.334 466 L HA 0.423 4.764 4.340 0.002 0.000 0.277 466 L C -0.655 176.299 176.870 0.140 0.000 1.075 466 L CA -0.071 54.876 54.840 0.177 0.000 0.804 466 L CB 0.269 42.403 42.059 0.125 0.000 1.174 466 L HN 0.249 nan 8.230 nan 0.000 0.438 467 I N 5.270 125.904 120.570 0.106 0.000 2.390 467 I HA 0.368 4.539 4.170 0.002 0.000 0.283 467 I C -0.075 176.032 176.117 -0.016 0.000 1.016 467 I CA -0.616 60.703 61.300 0.031 0.000 1.151 467 I CB 1.044 39.050 38.000 0.010 0.000 1.293 467 I HN 0.542 nan 8.210 nan 0.000 0.458 468 R N 7.003 127.491 120.500 -0.021 0.000 2.309 468 R HA 0.484 4.825 4.340 0.002 0.000 0.331 468 R C -0.822 175.474 176.300 -0.007 0.000 1.116 468 R CA 0.313 56.388 56.100 -0.041 0.000 0.970 468 R CB 0.163 30.441 30.300 -0.038 0.000 1.024 468 R HN 0.540 nan 8.270 nan 0.000 0.472 469 I N 2.556 123.115 120.570 -0.017 0.000 2.534 469 I HA 0.515 4.686 4.170 0.002 0.000 0.286 469 I C 0.432 176.529 176.117 -0.034 0.000 1.094 469 I CA -0.548 60.803 61.300 0.086 0.000 1.055 469 I CB 1.983 40.081 38.000 0.163 0.000 1.225 469 I HN 0.818 nan 8.210 nan 0.000 0.435 470 G N 5.364 114.109 108.800 -0.091 0.000 2.332 470 G HA2 0.195 4.156 3.960 0.002 0.000 0.265 470 G HA3 0.195 4.156 3.960 0.002 0.000 0.265 470 G C -2.231 172.517 174.900 -0.254 0.000 1.329 470 G CA -0.646 44.214 45.100 -0.400 0.000 0.949 470 G HN 0.402 nan 8.290 nan 0.000 0.476 471 F N 2.363 122.068 119.950 -0.408 0.000 2.581 471 F HA 0.761 5.289 4.527 0.002 0.000 0.311 471 F C -2.365 173.220 175.800 -0.359 0.000 1.113 471 F CA -1.985 55.733 58.000 -0.470 0.000 0.935 471 F CB 2.816 41.578 39.000 -0.397 0.000 1.232 471 F HN 0.431 nan 8.300 nan 0.000 0.445 472 P HA 0.419 nan 4.420 nan 0.000 0.288 472 P C -0.942 175.698 177.300 -1.100 0.000 1.267 472 P CA -0.240 61.786 63.100 -1.789 0.000 0.815 472 P CB 2.215 32.221 31.700 -2.822 0.000 0.989 473 I N 3.769 124.009 120.570 -0.549 0.000 2.371 473 I HA 0.255 4.426 4.170 0.002 0.000 0.282 473 I C 0.725 176.696 176.117 -0.243 0.000 1.031 473 I CA -0.378 60.705 61.300 -0.362 0.000 1.180 473 I CB 0.364 38.262 38.000 -0.171 0.000 1.336 473 I HN 0.334 nan 8.210 nan 0.000 0.467 474 F N 2.500 122.276 119.950 -0.290 0.000 2.678 474 F HA 0.005 4.533 4.527 0.002 0.000 0.291 474 F C 1.700 177.390 175.800 -0.183 0.000 1.123 474 F CA -0.335 57.505 58.000 -0.265 0.000 1.395 474 F CB 0.460 39.286 39.000 -0.288 0.000 1.121 474 F HN 0.507 nan 8.300 nan 0.000 0.592 475 D N -0.457 119.958 120.400 0.026 0.000 2.368 475 D HA 0.068 4.709 4.640 0.002 0.000 0.218 475 D C 0.406 176.726 176.300 0.033 0.000 1.112 475 D CA 0.190 54.199 54.000 0.014 0.000 0.834 475 D CB 0.108 40.888 40.800 -0.034 0.000 0.953 475 D HN -0.011 nan 8.370 nan 0.000 0.505 476 R N 0.124 120.646 120.500 0.036 0.000 2.744 476 R HA 0.364 4.705 4.340 0.002 0.000 0.279 476 R C -0.550 175.811 176.300 0.102 0.000 0.977 476 R CA -0.591 55.553 56.100 0.074 0.000 0.906 476 R CB 1.251 31.563 30.300 0.021 0.000 1.197 476 R HN 0.242 nan 8.270 nan 0.000 0.463 477 H N 2.488 121.499 119.070 -0.098 0.000 2.502 477 H HA 0.180 4.738 4.556 0.002 0.000 0.327 477 H C 0.043 175.296 175.328 -0.126 0.000 1.099 477 H CA -0.281 55.634 56.048 -0.222 0.000 1.323 477 H CB 0.936 30.555 29.762 -0.239 0.000 1.450 477 H HN 0.607 nan 8.280 nan 0.000 0.502 478 H N 1.514 120.685 119.070 0.168 0.000 3.047 478 H HA -0.150 4.407 4.556 0.002 0.000 0.263 478 H C 1.016 176.321 175.328 -0.038 0.000 1.168 478 H CA 0.236 56.346 56.048 0.104 0.000 1.152 478 H CB -1.041 28.762 29.762 0.068 0.000 1.278 478 H HN 0.474 nan 8.280 nan 0.000 0.339 479 L N 1.639 122.919 121.223 0.095 0.000 2.551 479 L HA -0.060 4.281 4.340 0.002 0.000 0.228 479 L C 2.675 179.639 176.870 0.157 0.000 1.153 479 L CA 1.653 56.553 54.840 0.099 0.000 0.851 479 L CB -0.682 41.434 42.059 0.096 0.000 0.959 479 L HN 0.573 nan 8.230 nan 0.000 0.451 480 H N -1.440 117.632 119.070 0.004 0.000 2.546 480 H HA 0.025 4.583 4.556 0.002 0.000 0.277 480 H C 1.501 177.003 175.328 0.289 0.000 1.004 480 H CA 0.479 56.529 56.048 0.003 0.000 1.231 480 H CB -0.174 29.425 29.762 -0.271 0.000 1.382 480 H HN 0.341 nan 8.280 nan 0.000 0.580 481 R N 1.409 121.766 120.500 -0.238 0.000 2.299 481 R HA 0.049 4.390 4.340 0.002 0.000 0.197 481 R C 0.947 177.282 176.300 0.058 0.000 0.971 481 R CA 0.492 56.532 56.100 -0.100 0.000 1.030 481 R CB 0.320 30.516 30.300 -0.173 0.000 0.932 481 R HN 0.385 nan 8.270 nan 0.000 0.477 482 S N -0.207 115.566 115.700 0.122 0.000 2.646 482 S HA 0.320 4.791 4.470 0.002 0.000 0.273 482 S C 0.212 174.722 174.600 -0.150 0.000 1.168 482 S CA -0.498 57.689 58.200 -0.022 0.000 1.013 482 S CB 1.494 64.655 63.200 -0.066 0.000 1.098 482 S HN -0.085 nan 8.310 nan 0.000 0.544 483 T N 0.484 114.872 114.554 -0.277 0.000 2.881 483 T HA 0.567 4.918 4.350 0.002 0.000 0.290 483 T C 0.643 175.118 174.700 -0.375 0.000 1.000 483 T CA -0.298 61.628 62.100 -0.290 0.000 0.978 483 T CB 1.650 70.422 68.868 -0.160 0.000 0.997 483 T HN 0.843 nan 8.240 nan 0.000 0.443 484 T N 0.156 114.478 114.554 -0.386 0.000 2.985 484 T HA 0.395 4.746 4.350 0.002 0.000 0.254 484 T C 0.560 175.130 174.700 -0.218 0.000 1.021 484 T CA -0.139 61.797 62.100 -0.274 0.000 0.957 484 T CB -0.039 68.725 68.868 -0.174 0.000 1.047 484 T HN 0.362 nan 8.240 nan 0.000 0.511 485 L N 1.432 122.524 121.223 -0.219 0.000 2.375 485 L HA 0.678 5.019 4.340 0.002 0.000 0.268 485 L C 1.289 177.994 176.870 -0.274 0.000 1.058 485 L CA -0.119 54.574 54.840 -0.244 0.000 0.803 485 L CB 0.702 42.604 42.059 -0.263 0.000 1.212 485 L HN 0.544 nan 8.230 nan 0.000 0.451 486 G N -0.043 108.557 108.800 -0.333 0.000 2.693 486 G HA2 -0.317 3.645 3.960 0.002 0.000 0.226 486 G HA3 -0.317 3.645 3.960 0.002 0.000 0.226 486 G C 0.062 174.769 174.900 -0.322 0.000 1.354 486 G CA 0.392 45.256 45.100 -0.393 0.000 0.873 486 G HN 0.665 nan 8.290 nan 0.000 0.562 487 Y N -0.080 120.141 120.300 -0.132 0.000 2.263 487 Y HA 0.015 4.567 4.550 0.002 0.000 0.292 487 Y C 2.937 178.756 175.900 -0.135 0.000 1.130 487 Y CA 1.499 59.522 58.100 -0.128 0.000 1.179 487 Y CB -0.063 38.358 38.460 -0.065 0.000 0.998 487 Y HN 0.744 nan 8.280 nan 0.000 0.532 488 E N 0.487 120.704 120.200 0.028 0.000 2.058 488 E HA -0.205 4.147 4.350 0.002 0.000 0.194 488 E C 2.478 179.024 176.600 -0.090 0.000 0.997 488 E CA 1.308 57.693 56.400 -0.025 0.000 0.801 488 E CB -0.449 29.227 29.700 -0.039 0.000 0.746 488 E HN 0.495 nan 8.360 nan 0.000 0.450 489 G N 0.352 109.060 108.800 -0.154 0.000 2.422 489 G HA2 -0.225 3.736 3.960 0.002 0.000 0.218 489 G HA3 -0.225 3.736 3.960 0.002 0.000 0.218 489 G C 1.611 176.354 174.900 -0.262 0.000 1.146 489 G CA 0.856 45.829 45.100 -0.212 0.000 0.769 489 G HN 0.413 nan 8.290 nan 0.000 0.547 490 A N 0.417 123.027 122.820 -0.351 0.000 1.969 490 A HA 0.158 4.479 4.320 0.002 0.000 0.218 490 A C 2.412 179.896 177.584 -0.167 0.000 1.169 490 A CA 1.433 53.104 52.037 -0.610 0.000 0.635 490 A CB -0.277 18.257 19.000 -0.778 0.000 0.810 490 A HN 0.385 nan 8.150 nan 0.000 0.445 491 M N -1.060 118.499 119.600 -0.070 0.000 2.200 491 M HA -0.159 4.322 4.480 0.002 0.000 0.265 491 M C 2.331 178.629 176.300 -0.004 0.000 1.066 491 M CA 1.255 56.558 55.300 0.006 0.000 1.127 491 M CB -0.326 32.275 32.600 0.001 0.000 1.379 491 M HN 0.487 nan 8.290 nan 0.000 0.420 492 Q N 0.272 120.043 119.800 -0.048 0.000 2.123 492 Q HA -0.059 4.282 4.340 0.002 0.000 0.199 492 Q C 1.975 177.953 176.000 -0.035 0.000 0.966 492 Q CA 1.133 56.904 55.803 -0.053 0.000 0.845 492 Q CB 0.007 28.689 28.738 -0.094 0.000 0.907 492 Q HN 0.544 nan 8.270 nan 0.000 0.439 493 I N 0.496 121.055 120.570 -0.018 0.000 2.286 493 I HA -0.251 3.920 4.170 0.002 0.000 0.245 493 I C 2.310 178.476 176.117 0.082 0.000 1.104 493 I CA 0.661 61.981 61.300 0.033 0.000 1.397 493 I CB -0.146 37.907 38.000 0.088 0.000 1.072 493 I HN 0.197 nan 8.210 nan 0.000 0.417 494 L N 0.356 121.688 121.223 0.182 0.000 2.012 494 L HA -0.251 4.090 4.340 0.002 0.000 0.210 494 L C 2.579 179.465 176.870 0.027 0.000 1.073 494 L CA 1.857 56.766 54.840 0.115 0.000 0.748 494 L CB -0.398 41.770 42.059 0.182 0.000 0.891 494 L HN 0.234 nan 8.230 nan 0.000 0.431 495 T N -1.217 113.347 114.554 0.017 0.000 2.833 495 T HA -0.163 4.188 4.350 0.002 0.000 0.269 495 T C 1.701 176.375 174.700 -0.042 0.000 1.054 495 T CA 1.786 63.877 62.100 -0.014 0.000 1.135 495 T CB -0.333 68.526 68.868 -0.015 0.000 0.869 495 T HN 0.451 nan 8.240 nan 0.000 0.466 496 T N 2.354 116.880 114.554 -0.047 0.000 2.770 496 T HA 0.112 4.463 4.350 0.002 0.000 0.263 496 T C 2.010 176.642 174.700 -0.113 0.000 1.039 496 T CA 0.745 62.801 62.100 -0.073 0.000 1.142 496 T CB -0.386 68.443 68.868 -0.065 0.000 0.868 496 T HN 0.253 nan 8.240 nan 0.000 0.435 497 L N 0.885 122.042 121.223 -0.109 0.000 1.994 497 L HA -0.091 4.250 4.340 0.002 0.000 0.208 497 L C 2.700 179.493 176.870 -0.129 0.000 1.071 497 L CA 1.059 55.817 54.840 -0.137 0.000 0.745 497 L CB -0.899 41.090 42.059 -0.117 0.000 0.892 497 L HN 0.140 nan 8.230 nan 0.000 0.431 498 V N 0.038 119.907 119.914 -0.074 0.000 2.343 498 V HA -0.273 3.848 4.120 0.002 0.000 0.247 498 V C 1.887 177.897 176.094 -0.139 0.000 1.051 498 V CA 2.228 64.491 62.300 -0.061 0.000 1.036 498 V CB -0.869 30.943 31.823 -0.019 0.000 0.654 498 V HN 0.500 nan 8.190 nan 0.000 0.451 499 N N -0.188 118.432 118.700 -0.133 0.000 2.409 499 N HA -0.092 4.650 4.740 0.002 0.000 0.179 499 N C 1.941 177.357 175.510 -0.157 0.000 1.032 499 N CA 0.978 53.940 53.050 -0.147 0.000 0.898 499 N CB -0.052 38.371 38.487 -0.106 0.000 0.971 499 N HN 0.338 nan 8.380 nan 0.000 0.441 500 S N 0.848 116.428 115.700 -0.201 0.000 2.383 500 S HA -0.009 4.462 4.470 0.002 0.000 0.227 500 S C 1.892 176.361 174.600 -0.218 0.000 1.026 500 S CA 0.669 58.724 58.200 -0.241 0.000 0.981 500 S CB -0.084 62.856 63.200 -0.433 0.000 0.818 500 S HN 0.264 nan 8.310 nan 0.000 0.472 501 I N 1.347 121.747 120.570 -0.283 0.000 2.179 501 I HA -0.173 3.998 4.170 0.002 0.000 0.242 501 I C 2.018 178.088 176.117 -0.079 0.000 1.088 501 I CA 1.193 62.475 61.300 -0.031 0.000 1.357 501 I CB -0.321 37.674 38.000 -0.009 0.000 1.051 501 I HN 0.229 nan 8.210 nan 0.000 0.409 502 L N 0.037 121.110 121.223 -0.250 0.000 2.217 502 L HA -0.157 4.184 4.340 0.002 0.000 0.211 502 L C 2.473 179.219 176.870 -0.207 0.000 1.107 502 L CA 1.085 55.704 54.840 -0.368 0.000 0.783 502 L CB -0.478 41.300 42.059 -0.469 0.000 0.919 502 L HN 0.276 nan 8.230 nan 0.000 0.442 503 E N 0.018 120.146 120.200 -0.120 0.000 2.051 503 E HA -0.265 4.086 4.350 0.002 0.000 0.192 503 E C 2.228 178.826 176.600 -0.003 0.000 0.991 503 E CA 1.008 57.375 56.400 -0.055 0.000 0.799 503 E CB 0.070 29.753 29.700 -0.030 0.000 0.748 503 E HN 0.162 nan 8.360 nan 0.000 0.449 504 R N 1.034 121.568 120.500 0.057 0.000 2.115 504 R HA -0.043 4.298 4.340 0.002 0.000 0.230 504 R C 2.123 178.440 176.300 0.028 0.000 1.111 504 R CA 0.842 56.994 56.100 0.086 0.000 0.976 504 R CB -0.556 29.876 30.300 0.219 0.000 0.870 504 R HN 0.194 nan 8.270 nan 0.000 0.445 505 L N -0.000 121.216 121.223 -0.011 0.000 2.056 505 L HA -0.155 4.187 4.340 0.002 0.000 0.207 505 L C 1.131 177.993 176.870 -0.014 0.000 1.078 505 L CA 1.803 56.623 54.840 -0.034 0.000 0.749 505 L CB -0.345 41.643 42.059 -0.118 0.000 0.901 505 L HN 0.213 nan 8.230 nan 0.000 0.433 506 D N -0.411 119.977 120.400 -0.020 0.000 2.178 506 D HA -0.218 4.423 4.640 0.002 0.000 0.202 506 D C 2.019 178.404 176.300 0.141 0.000 0.974 506 D CA 0.897 54.952 54.000 0.092 0.000 0.841 506 D CB 0.128 40.939 40.800 0.019 0.000 0.953 506 D HN 0.347 nan 8.370 nan 0.000 0.478 507 E N 0.533 120.762 120.200 0.048 0.000 2.072 507 E HA -0.152 4.199 4.350 0.002 0.000 0.190 507 E C 1.522 178.114 176.600 -0.014 0.000 0.982 507 E CA 0.736 57.146 56.400 0.018 0.000 0.803 507 E CB 0.134 29.843 29.700 0.014 0.000 0.755 507 E HN 0.312 nan 8.360 nan 0.000 0.453 508 E N -0.525 119.666 120.200 -0.015 0.000 2.274 508 E HA -0.090 4.261 4.350 0.002 0.000 0.194 508 E C 1.287 177.849 176.600 -0.063 0.000 0.996 508 E CA 1.373 57.751 56.400 -0.037 0.000 0.840 508 E CB 0.211 29.891 29.700 -0.033 0.000 0.772 508 E HN 0.274 nan 8.360 nan 0.000 0.491 509 T N -2.234 112.288 114.554 -0.052 0.000 3.174 509 T HA 0.220 4.571 4.350 0.002 0.000 0.269 509 T C 1.151 175.684 174.700 -0.277 0.000 1.017 509 T CA -0.455 61.577 62.100 -0.114 0.000 0.899 509 T CB 0.250 69.089 68.868 -0.048 0.000 1.077 509 T HN -0.103 nan 8.240 nan 0.000 0.552 510 R N 1.263 121.566 120.500 -0.329 0.000 2.320 510 R HA 0.320 4.661 4.340 0.002 0.000 0.211 510 R C 0.929 177.042 176.300 -0.312 0.000 0.931 510 R CA -0.078 55.694 56.100 -0.547 0.000 1.071 510 R CB -0.378 29.756 30.300 -0.277 0.000 1.025 510 R HN 0.429 nan 8.270 nan 0.000 0.495 511 G N 0.811 109.487 108.800 -0.207 0.000 2.327 511 G HA2 0.213 4.174 3.960 0.002 0.000 0.302 511 G HA3 0.213 4.174 3.960 0.002 0.000 0.302 511 G C -0.085 174.758 174.900 -0.094 0.000 1.113 511 G CA -0.620 44.410 45.100 -0.118 0.000 0.921 511 G HN 0.130 nan 8.290 nan 0.000 0.425 512 M N 1.955 121.513 119.600 -0.070 0.000 2.327 512 M HA -0.031 4.450 4.480 0.002 0.000 0.353 512 M C 1.182 177.480 176.300 -0.003 0.000 1.539 512 M CA 0.979 56.258 55.300 -0.035 0.000 1.039 512 M CB 0.240 32.825 32.600 -0.024 0.000 1.967 512 M HN 0.931 nan 8.290 nan 0.000 0.459 513 Q N 0.821 120.633 119.800 0.020 0.000 2.439 513 Q HA -0.298 4.043 4.340 0.002 0.000 0.247 513 Q C 0.039 176.078 176.000 0.066 0.000 0.899 513 Q CA 1.117 56.949 55.803 0.049 0.000 1.201 513 Q CB -0.555 28.201 28.738 0.031 0.000 1.608 513 Q HN 0.899 nan 8.270 nan 0.000 0.563 514 A N -1.303 121.553 122.820 0.060 0.000 2.080 514 A HA 0.158 4.479 4.320 0.002 0.000 0.211 514 A C 1.487 179.153 177.584 0.136 0.000 1.708 514 A CA 1.011 53.092 52.037 0.073 0.000 0.825 514 A CB -0.000 19.015 19.000 0.025 0.000 1.261 514 A HN 0.629 nan 8.150 nan 0.000 0.573 515 T N -2.073 112.493 114.554 0.020 0.000 3.043 515 T HA 0.067 4.418 4.350 0.002 0.000 0.272 515 T C 0.730 175.209 174.700 -0.368 0.000 0.990 515 T CA 0.824 62.842 62.100 -0.137 0.000 0.897 515 T CB 0.045 68.838 68.868 -0.125 0.000 1.111 515 T HN 0.410 nan 8.240 nan 0.000 0.529 516 D N 1.794 122.086 120.400 -0.180 0.000 2.378 516 D HA -0.143 4.498 4.640 0.002 0.000 0.227 516 D C 1.590 177.842 176.300 -0.079 0.000 1.012 516 D CA 0.221 54.127 54.000 -0.157 0.000 0.905 516 D CB -0.781 39.947 40.800 -0.120 0.000 0.895 516 D HN 0.705 nan 8.370 nan 0.000 0.532 517 Y N 0.247 120.571 120.300 0.040 0.000 2.384 517 Y HA -0.041 4.510 4.550 0.001 0.000 0.289 517 Y C 1.211 177.150 175.900 0.065 0.000 1.152 517 Y CA 0.992 59.120 58.100 0.046 0.000 1.258 517 Y CB -1.095 37.384 38.460 0.031 0.000 0.979 517 Y HN -0.055 nan 8.280 nan 0.000 0.549 518 N N -0.057 118.407 118.700 -0.394 0.000 2.389 518 N HA -0.027 4.714 4.740 0.002 0.000 0.260 518 N C -0.759 174.727 175.510 -0.039 0.000 1.191 518 N CA -0.175 52.778 53.050 -0.163 0.000 0.885 518 N CB -0.499 37.819 38.487 -0.282 0.000 1.162 518 N HN 0.507 nan 8.380 nan 0.000 0.512 519 H N 0.414 119.415 119.070 -0.114 0.000 2.565 519 H HA 0.157 4.714 4.556 0.002 0.000 0.231 519 H C -0.892 174.413 175.328 -0.037 0.000 1.692 519 H CA -0.640 55.360 56.048 -0.080 0.000 1.269 519 H CB 0.020 29.736 29.762 -0.076 0.000 1.615 519 H HN 0.244 nan 8.280 nan 0.000 0.554 520 D N 2.660 123.011 120.400 -0.083 0.000 2.389 520 D HA -0.078 4.564 4.640 0.002 0.000 0.247 520 D C 1.360 177.591 176.300 -0.115 0.000 1.128 520 D CA -0.280 53.687 54.000 -0.055 0.000 0.884 520 D CB 1.876 42.679 40.800 0.005 0.000 1.194 520 D HN 0.425 nan 8.370 nan 0.000 0.441 521 L N 3.256 124.441 121.223 -0.064 0.000 2.027 521 L HA -0.041 4.300 4.340 0.002 0.000 0.206 521 L C 0.259 177.096 176.870 -0.054 0.000 1.074 521 L CA 1.465 56.265 54.840 -0.066 0.000 0.745 521 L CB 0.258 42.299 42.059 -0.030 0.000 0.898 521 L HN 0.197 nan 8.230 nan 0.000 0.433 522 V N 1.836 121.738 119.914 -0.019 0.000 2.394 522 V HA 0.472 4.594 4.120 0.002 0.000 0.282 522 V C 0.068 176.184 176.094 0.037 0.000 1.031 522 V CA -0.657 61.645 62.300 0.003 0.000 0.881 522 V CB 1.221 33.056 31.823 0.019 0.000 0.982 522 V HN 0.296 nan 8.190 nan 0.000 0.451 523 R N 0.000 120.524 120.500 0.041 0.000 2.786 523 R HA 0.000 4.341 4.340 0.002 0.000 0.208 523 R CA 0.000 56.190 56.100 0.149 0.000 0.921 523 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535