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 1m1n_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 0.000 174.624 174.600 0.039 0.000 1.055 2 S CA 0.000 58.222 58.200 0.037 0.000 1.107 2 S CB 0.000 63.207 63.200 0.011 0.000 0.593 3 Q N 1.267 121.078 119.800 0.017 0.000 2.372 3 Q HA 0.477 4.915 4.340 0.164 0.000 0.273 3 Q C -1.405 174.592 176.000 -0.004 0.000 1.078 3 Q CA -0.665 55.138 55.803 0.000 0.000 0.806 3 Q CB 2.352 31.088 28.738 -0.004 0.000 1.332 3 Q HN 0.629 nan 8.270 nan 0.000 0.435 4 Q N 0.920 120.713 119.800 -0.011 0.000 2.331 4 Q HA 0.215 4.653 4.340 0.164 0.000 0.257 4 Q C 0.866 176.859 176.000 -0.013 0.000 0.957 4 Q CA -0.165 55.631 55.803 -0.011 0.000 0.923 4 Q CB 2.054 30.784 28.738 -0.013 0.000 1.212 4 Q HN 0.478 nan 8.270 nan 0.000 0.443 5 V N 3.361 123.270 119.914 -0.009 0.000 2.594 5 V HA -0.229 3.989 4.120 0.164 0.000 0.253 5 V C 1.202 177.291 176.094 -0.009 0.000 1.069 5 V CA 2.483 64.778 62.300 -0.008 0.000 1.082 5 V CB -0.104 31.716 31.823 -0.004 0.000 0.680 5 V HN 0.933 nan 8.190 nan 0.000 0.469 6 D N -0.880 119.514 120.400 -0.010 0.000 2.355 6 D HA -0.051 4.687 4.640 0.164 0.000 0.218 6 D C 1.047 177.339 176.300 -0.014 0.000 1.004 6 D CA 0.226 54.220 54.000 -0.010 0.000 0.880 6 D CB 0.194 40.989 40.800 -0.008 0.000 0.911 6 D HN 0.398 nan 8.370 nan 0.000 0.528 7 K N 0.873 121.262 120.400 -0.019 0.000 3.157 7 K HA 0.304 4.722 4.320 0.164 0.000 0.173 7 K C -1.025 175.553 176.600 -0.036 0.000 1.127 7 K CA -0.328 55.944 56.287 -0.026 0.000 0.849 7 K CB 0.004 32.487 32.500 -0.027 0.000 1.038 7 K HN -0.069 nan 8.250 nan 0.000 0.603 8 I N 2.400 122.950 120.570 -0.034 0.000 2.648 8 I HA 0.020 4.288 4.170 0.164 0.000 0.284 8 I C 0.273 176.351 176.117 -0.066 0.000 1.153 8 I CA 0.335 61.609 61.300 -0.043 0.000 1.426 8 I CB 0.637 38.618 38.000 -0.032 0.000 1.381 8 I HN 0.212 nan 8.210 nan 0.000 0.571 9 K N 5.670 126.014 120.400 -0.093 0.000 2.235 9 K HA 0.652 5.070 4.320 0.164 0.000 0.266 9 K C -0.329 176.173 176.600 -0.164 0.000 0.980 9 K CA -0.616 55.587 56.287 -0.139 0.000 0.849 9 K CB 1.899 34.291 32.500 -0.179 0.000 1.098 9 K HN 0.680 nan 8.250 nan 0.000 0.445 10 A N 1.330 124.064 122.820 -0.144 0.000 2.250 10 A HA 0.173 4.591 4.320 0.164 0.000 0.283 10 A C 1.541 178.985 177.584 -0.233 0.000 1.206 10 A CA 0.226 52.180 52.037 -0.138 0.000 0.840 10 A CB 0.149 19.119 19.000 -0.051 0.000 1.220 10 A HN 0.874 nan 8.150 nan 0.000 0.505 11 S N -1.022 114.566 115.700 -0.186 0.000 2.378 11 S HA -0.259 4.309 4.470 0.164 0.000 0.229 11 S C 0.702 175.230 174.600 -0.119 0.000 1.052 11 S CA 1.972 60.033 58.200 -0.231 0.000 1.084 11 S CB -0.741 62.566 63.200 0.178 0.000 0.950 11 S HN 0.983 nan 8.310 nan 0.000 0.440 12 Y N 4.854 125.113 120.300 -0.067 0.000 2.367 12 Y HA 0.519 5.167 4.550 0.163 0.000 0.342 12 Y C -2.290 173.568 175.900 -0.071 0.000 0.979 12 Y CA -2.469 55.607 58.100 -0.041 0.000 1.161 12 Y CB 1.765 40.231 38.460 0.009 0.000 1.155 12 Y HN 0.126 nan 8.280 nan 0.000 0.503 13 P HA 0.033 nan 4.420 nan 0.000 0.278 13 P C 1.059 178.149 177.300 -0.350 0.000 1.502 13 P CA 0.046 62.730 63.100 -0.693 0.000 1.114 13 P CB 0.497 31.736 31.700 -0.768 0.000 1.541 14 L N 0.318 121.298 121.223 -0.405 0.000 2.021 14 L HA -0.159 4.279 4.340 0.164 0.000 0.215 14 L C 1.657 178.267 176.870 -0.434 0.000 1.074 14 L CA 2.221 56.771 54.840 -0.483 0.000 0.760 14 L CB -1.325 40.255 42.059 -0.798 0.000 0.889 14 L HN -0.152 nan 8.230 nan 0.000 0.433 15 F N -0.980 118.840 119.950 -0.216 0.000 2.802 15 F HA 0.061 4.684 4.527 0.161 0.000 0.300 15 F C 1.903 177.704 175.800 0.001 0.000 1.168 15 F CA 0.274 58.146 58.000 -0.215 0.000 1.433 15 F CB -0.730 38.148 39.000 -0.203 0.000 1.115 15 F HN 0.054 nan 8.300 nan 0.000 0.582 16 L N -1.072 120.220 121.223 0.115 0.000 2.554 16 L HA 0.020 4.458 4.340 0.164 0.000 0.226 16 L C 0.362 177.298 176.870 0.110 0.000 1.137 16 L CA 0.004 54.911 54.840 0.112 0.000 0.863 16 L CB -0.517 41.580 42.059 0.063 0.000 0.985 16 L HN -0.129 nan 8.230 nan 0.000 0.451 17 D N 0.197 120.677 120.400 0.134 0.000 2.419 17 D HA -0.092 4.646 4.640 0.164 0.000 0.236 17 D C 1.007 177.399 176.300 0.153 0.000 1.165 17 D CA 0.272 54.357 54.000 0.141 0.000 0.882 17 D CB 0.910 41.830 40.800 0.201 0.000 1.201 17 D HN -0.063 nan 8.370 nan 0.000 0.443 18 Q N 1.357 121.211 119.800 0.090 0.000 2.096 18 Q HA -0.190 4.248 4.340 0.164 0.000 0.204 18 Q C 1.242 177.279 176.000 0.061 0.000 0.982 18 Q CA 2.006 57.850 55.803 0.068 0.000 0.850 18 Q CB -0.087 28.674 28.738 0.038 0.000 0.901 18 Q HN 0.595 nan 8.270 nan 0.000 0.422 19 D N -1.188 119.225 120.400 0.023 0.000 2.104 19 D HA -0.228 4.510 4.640 0.164 0.000 0.194 19 D C 1.550 177.825 176.300 -0.041 0.000 0.994 19 D CA 1.544 55.513 54.000 -0.053 0.000 0.830 19 D CB -1.027 39.685 40.800 -0.146 0.000 0.959 19 D HN 0.389 nan 8.370 nan 0.000 0.452 20 Y N 1.043 121.398 120.300 0.092 0.000 2.145 20 Y HA -0.100 4.550 4.550 0.166 0.000 0.286 20 Y C 2.690 178.646 175.900 0.094 0.000 1.145 20 Y CA 1.449 59.627 58.100 0.130 0.000 1.148 20 Y CB -0.473 38.142 38.460 0.258 0.000 0.981 20 Y HN -0.014 nan 8.280 nan 0.000 0.507 21 K N 0.236 120.776 120.400 0.233 0.000 2.063 21 K HA -0.208 4.210 4.320 0.164 0.000 0.208 21 K C 1.437 178.094 176.600 0.095 0.000 1.048 21 K CA 2.005 58.379 56.287 0.145 0.000 0.928 21 K CB -0.149 32.421 32.500 0.116 0.000 0.713 21 K HN 0.203 nan 8.250 nan 0.000 0.442 22 D N 0.486 120.930 120.400 0.073 0.000 2.117 22 D HA -0.193 4.545 4.640 0.164 0.000 0.198 22 D C 1.799 178.125 176.300 0.045 0.000 0.982 22 D CA 0.924 54.950 54.000 0.044 0.000 0.828 22 D CB -0.152 40.662 40.800 0.024 0.000 0.967 22 D HN 0.249 nan 8.370 nan 0.000 0.464 23 M N 0.352 119.984 119.600 0.054 0.000 2.117 23 M HA -0.123 4.455 4.480 0.164 0.000 0.262 23 M C 1.885 178.229 176.300 0.074 0.000 1.065 23 M CA 1.219 56.555 55.300 0.060 0.000 1.114 23 M CB -0.394 32.242 32.600 0.059 0.000 1.361 23 M HN 0.019 nan 8.290 nan 0.000 0.408 24 L N -0.047 121.226 121.223 0.082 0.000 2.156 24 L HA -0.087 4.351 4.340 0.164 0.000 0.208 24 L C 2.694 179.591 176.870 0.045 0.000 1.095 24 L CA 0.820 55.697 54.840 0.061 0.000 0.770 24 L CB -0.859 41.233 42.059 0.055 0.000 0.914 24 L HN 0.337 nan 8.230 nan 0.000 0.439 25 A N 0.105 122.950 122.820 0.041 0.000 1.898 25 A HA -0.235 4.183 4.320 0.164 0.000 0.216 25 A C 2.343 179.928 177.584 0.002 0.000 1.181 25 A CA 1.732 53.780 52.037 0.020 0.000 0.620 25 A CB -0.328 18.683 19.000 0.019 0.000 0.819 25 A HN 0.240 nan 8.150 nan 0.000 0.442 26 K N -0.263 120.144 120.400 0.013 0.000 2.097 26 K HA -0.140 4.278 4.320 0.164 0.000 0.206 26 K C 2.175 178.775 176.600 -0.001 0.000 1.049 26 K CA 1.637 57.920 56.287 -0.006 0.000 0.933 26 K CB -0.115 32.403 32.500 0.030 0.000 0.717 26 K HN 0.494 nan 8.250 nan 0.000 0.442 27 K N 0.830 121.282 120.400 0.087 0.000 2.032 27 K HA -0.222 4.196 4.320 0.164 0.000 0.209 27 K C 2.225 178.876 176.600 0.085 0.000 1.048 27 K CA 1.513 57.911 56.287 0.185 0.000 0.927 27 K CB -0.112 32.478 32.500 0.150 0.000 0.712 27 K HN 0.028 nan 8.250 nan 0.000 0.441 28 R N 0.521 121.037 120.500 0.025 0.000 2.082 28 R HA -0.168 4.270 4.340 0.164 0.000 0.234 28 R C 1.528 177.784 176.300 -0.074 0.000 1.136 28 R CA 2.309 58.405 56.100 -0.007 0.000 0.935 28 R CB -0.304 29.994 30.300 -0.003 0.000 0.842 28 R HN 0.265 nan 8.270 nan 0.000 0.430 29 D N -0.789 119.546 120.400 -0.109 0.000 2.144 29 D HA -0.073 4.665 4.640 0.164 0.000 0.200 29 D C 1.718 177.843 176.300 -0.293 0.000 0.978 29 D CA 1.483 55.390 54.000 -0.154 0.000 0.833 29 D CB -0.401 40.327 40.800 -0.120 0.000 0.961 29 D HN 0.548 nan 8.370 nan 0.000 0.470 30 G N -0.831 107.654 108.800 -0.526 0.000 2.403 30 G HA2 -0.121 3.937 3.960 0.164 0.000 0.216 30 G HA3 -0.121 3.937 3.960 0.164 0.000 0.216 30 G C 0.882 175.104 174.900 -1.130 0.000 1.154 30 G CA 0.364 44.792 45.100 -1.121 0.000 0.784 30 G HN 0.241 nan 8.290 nan 0.000 0.538 31 F N -0.749 119.190 119.950 -0.020 0.000 2.925 31 F HA 0.352 4.976 4.527 0.163 0.000 0.359 31 F C 1.932 177.715 175.800 -0.027 0.000 1.038 31 F CA -0.538 57.448 58.000 -0.022 0.000 1.130 31 F CB 0.432 39.421 39.000 -0.018 0.000 1.093 31 F HN 0.069 nan 8.300 nan 0.000 0.561 32 E N 0.820 121.057 120.200 0.062 0.000 2.447 32 E HA -0.001 4.447 4.350 0.164 0.000 0.195 32 E C -0.061 176.530 176.600 -0.015 0.000 1.028 32 E CA 0.264 56.687 56.400 0.037 0.000 0.876 32 E CB -0.060 29.657 29.700 0.029 0.000 0.885 32 E HN 0.322 nan 8.360 nan 0.000 0.500 33 E N 1.475 121.646 120.200 -0.049 0.000 2.269 33 E HA -0.237 4.211 4.350 0.164 0.000 0.223 33 E C -0.187 176.331 176.600 -0.136 0.000 1.244 33 E CA 0.418 56.762 56.400 -0.094 0.000 0.713 33 E CB -1.149 28.499 29.700 -0.087 0.000 1.178 33 E HN 0.145 nan 8.360 nan 0.000 0.370 34 K N 0.700 121.043 120.400 -0.095 0.000 2.237 34 K HA 0.189 4.607 4.320 0.164 0.000 0.270 34 K C -0.292 176.250 176.600 -0.097 0.000 1.015 34 K CA -0.465 55.783 56.287 -0.065 0.000 0.949 34 K CB 0.494 32.992 32.500 -0.005 0.000 0.976 34 K HN -0.014 nan 8.250 nan 0.000 0.472 35 Y N 3.317 123.618 120.300 0.001 0.000 2.597 35 Y HA 0.025 4.673 4.550 0.163 0.000 0.336 35 Y C -1.675 174.227 175.900 0.003 0.000 1.216 35 Y CA -1.259 56.842 58.100 0.002 0.000 1.463 35 Y CB -0.058 38.407 38.460 0.009 0.000 1.303 35 Y HN 0.591 nan 8.280 nan 0.000 0.576 36 P HA -0.057 nan 4.420 nan 0.000 0.267 36 P C 0.193 177.551 177.300 0.097 0.000 1.200 36 P CA -0.098 63.057 63.100 0.092 0.000 0.772 36 P CB 0.783 32.526 31.700 0.071 0.000 0.855 37 Q N 2.537 122.377 119.800 0.067 0.000 2.135 37 Q HA -0.221 4.217 4.340 0.164 0.000 0.204 37 Q C 1.496 177.534 176.000 0.062 0.000 0.981 37 Q CA 2.202 58.043 55.803 0.064 0.000 0.856 37 Q CB -0.749 28.018 28.738 0.049 0.000 0.902 37 Q HN 0.577 nan 8.270 nan 0.000 0.425 38 D N -0.883 119.549 120.400 0.052 0.000 2.178 38 D HA -0.209 4.529 4.640 0.164 0.000 0.202 38 D C 1.582 177.908 176.300 0.044 0.000 0.974 38 D CA 1.288 55.314 54.000 0.043 0.000 0.841 38 D CB -0.129 40.690 40.800 0.032 0.000 0.953 38 D HN 0.119 nan 8.370 nan 0.000 0.478 39 K N 1.128 121.559 120.400 0.052 0.000 2.062 39 K HA 0.018 4.436 4.320 0.164 0.000 0.205 39 K C 2.347 178.961 176.600 0.023 0.000 1.051 39 K CA 0.707 57.011 56.287 0.028 0.000 0.941 39 K CB -0.540 31.994 32.500 0.056 0.000 0.719 39 K HN 0.227 nan 8.250 nan 0.000 0.440 40 I N 1.065 121.671 120.570 0.060 0.000 2.163 40 I HA -0.307 3.961 4.170 0.164 0.000 0.243 40 I C 1.532 177.726 176.117 0.128 0.000 1.085 40 I CA 1.592 62.940 61.300 0.079 0.000 1.347 40 I CB -0.397 37.657 38.000 0.090 0.000 1.044 40 I HN 0.211 nan 8.210 nan 0.000 0.408 41 D N 0.459 120.930 120.400 0.118 0.000 2.117 41 D HA -0.226 4.512 4.640 0.164 0.000 0.197 41 D C 2.001 178.388 176.300 0.145 0.000 0.987 41 D CA 1.181 55.271 54.000 0.150 0.000 0.829 41 D CB -0.301 40.553 40.800 0.090 0.000 0.961 41 D HN 0.442 nan 8.370 nan 0.000 0.460 42 E N 0.655 120.901 120.200 0.077 0.000 2.058 42 E HA -0.154 4.295 4.350 0.164 0.000 0.194 42 E C 2.057 178.693 176.600 0.061 0.000 0.997 42 E CA 0.976 57.401 56.400 0.042 0.000 0.801 42 E CB 0.151 29.847 29.700 -0.006 0.000 0.746 42 E HN 0.027 nan 8.360 nan 0.000 0.450 43 V N 0.869 120.824 119.914 0.068 0.000 2.358 43 V HA -0.206 4.012 4.120 0.164 0.000 0.246 43 V C 2.141 178.314 176.094 0.132 0.000 1.047 43 V CA 1.809 64.183 62.300 0.124 0.000 1.035 43 V CB -0.742 31.121 31.823 0.067 0.000 0.658 43 V HN 0.348 nan 8.190 nan 0.000 0.452 44 F N 1.485 121.449 119.950 0.024 0.000 2.065 44 F HA -0.324 4.301 4.527 0.162 0.000 0.298 44 F C 2.583 178.301 175.800 -0.137 0.000 1.112 44 F CA 2.522 60.505 58.000 -0.028 0.000 1.212 44 F CB -0.513 38.525 39.000 0.063 0.000 0.975 44 F HN 0.193 nan 8.300 nan 0.000 0.476 45 Q N -0.148 119.566 119.800 -0.143 0.000 2.096 45 Q HA -0.294 4.144 4.340 0.164 0.000 0.204 45 Q C 2.033 177.839 176.000 -0.324 0.000 0.982 45 Q CA 2.442 58.073 55.803 -0.287 0.000 0.850 45 Q CB -1.258 27.440 28.738 -0.067 0.000 0.901 45 Q HN 0.639 nan 8.270 nan 0.000 0.422 46 W N 0.953 122.045 121.300 -0.347 0.000 2.338 46 W HA -0.179 4.579 4.660 0.163 0.000 0.304 46 W C 2.032 178.245 176.519 -0.510 0.000 1.212 46 W CA 3.018 60.181 57.345 -0.304 0.000 1.264 46 W CB -0.883 28.474 29.460 -0.172 0.000 1.142 46 W HN 0.349 nan 8.180 nan 0.000 0.512 47 T N -2.529 111.494 114.554 -0.884 0.000 3.077 47 T HA -0.166 4.283 4.350 0.164 0.000 0.269 47 T C 1.473 175.428 174.700 -1.242 0.000 1.146 47 T CA 1.703 62.847 62.100 -1.592 0.000 1.091 47 T CB -1.027 67.122 68.868 -1.199 0.000 0.892 47 T HN 0.286 nan 8.240 nan 0.000 0.533 48 T N -0.255 113.628 114.554 -1.118 0.000 3.086 48 T HA 0.195 4.643 4.350 0.164 0.000 0.250 48 T C 0.870 175.213 174.700 -0.594 0.000 1.074 48 T CA 0.131 61.540 62.100 -1.151 0.000 0.988 48 T CB -0.429 67.517 68.868 -1.537 0.000 0.988 48 T HN 0.623 nan 8.240 nan 0.000 0.530 49 T N -1.159 113.121 114.554 -0.457 0.000 2.912 49 T HA 0.518 4.966 4.350 0.164 0.000 0.280 49 T C 0.983 175.592 174.700 -0.151 0.000 0.989 49 T CA -0.810 61.142 62.100 -0.246 0.000 0.995 49 T CB 2.023 70.793 68.868 -0.164 0.000 1.077 49 T HN -0.041 nan 8.240 nan 0.000 0.531 50 K N 0.316 120.662 120.400 -0.090 0.000 2.148 50 K HA -0.094 4.324 4.320 0.164 0.000 0.204 50 K C 2.139 178.714 176.600 -0.042 0.000 1.050 50 K CA 1.726 57.978 56.287 -0.059 0.000 0.942 50 K CB -0.442 32.033 32.500 -0.041 0.000 0.724 50 K HN 0.812 nan 8.250 nan 0.000 0.446 51 E N -0.943 119.245 120.200 -0.020 0.000 2.058 51 E HA -0.262 4.186 4.350 0.164 0.000 0.194 51 E C 1.838 178.422 176.600 -0.027 0.000 0.997 51 E CA 1.384 57.798 56.400 0.025 0.000 0.801 51 E CB -0.322 29.453 29.700 0.125 0.000 0.746 51 E HN 0.500 nan 8.360 nan 0.000 0.450 52 Y N 1.364 121.458 120.300 -0.344 0.000 2.200 52 Y HA -0.229 4.418 4.550 0.162 0.000 0.290 52 Y C 2.528 178.264 175.900 -0.273 0.000 1.137 52 Y CA 2.263 60.035 58.100 -0.547 0.000 1.163 52 Y CB -0.237 37.620 38.460 -1.006 0.000 0.988 52 Y HN 0.128 nan 8.280 nan 0.000 0.518 53 Q N 0.332 120.105 119.800 -0.045 0.000 2.096 53 Q HA -0.269 4.170 4.340 0.164 0.000 0.204 53 Q C 1.959 177.993 176.000 0.056 0.000 0.982 53 Q CA 2.295 58.114 55.803 0.026 0.000 0.850 53 Q CB -0.170 28.569 28.738 0.001 0.000 0.901 53 Q HN 0.636 nan 8.270 nan 0.000 0.422 54 E N 0.169 120.360 120.200 -0.014 0.000 2.085 54 E HA -0.193 4.255 4.350 0.164 0.000 0.194 54 E C 2.113 178.724 176.600 0.018 0.000 0.994 54 E CA 1.359 57.767 56.400 0.013 0.000 0.801 54 E CB -0.098 29.600 29.700 -0.003 0.000 0.743 54 E HN 0.409 nan 8.360 nan 0.000 0.453 55 L N 1.052 122.230 121.223 -0.075 0.000 2.056 55 L HA -0.189 4.249 4.340 0.164 0.000 0.207 55 L C 2.447 179.235 176.870 -0.136 0.000 1.078 55 L CA 0.827 55.602 54.840 -0.109 0.000 0.749 55 L CB -0.486 41.465 42.059 -0.179 0.000 0.901 55 L HN 0.174 nan 8.230 nan 0.000 0.433 56 N N 0.608 119.162 118.700 -0.243 0.000 2.104 56 N HA -0.220 4.618 4.740 0.164 0.000 0.190 56 N C 1.581 177.097 175.510 0.010 0.000 1.024 56 N CA 1.713 54.644 53.050 -0.199 0.000 0.853 56 N CB -0.230 38.109 38.487 -0.247 0.000 1.008 56 N HN 0.161 nan 8.380 nan 0.000 0.424 57 F N 0.813 120.785 119.950 0.038 0.000 2.802 57 F HA 0.141 4.767 4.527 0.165 0.000 0.300 57 F C 1.925 177.749 175.800 0.040 0.000 1.168 57 F CA 0.398 58.443 58.000 0.075 0.000 1.433 57 F CB 0.021 39.019 39.000 -0.004 0.000 1.115 57 F HN 0.153 nan 8.300 nan 0.000 0.582 58 Q N -0.431 119.452 119.800 0.138 0.000 2.403 58 Q HA 0.062 4.501 4.340 0.164 0.000 0.203 58 Q C 0.534 176.565 176.000 0.051 0.000 0.932 58 Q CA -0.027 55.823 55.803 0.078 0.000 0.945 58 Q CB 0.148 28.915 28.738 0.047 0.000 1.045 58 Q HN 0.241 nan 8.270 nan 0.000 0.511 59 R N 0.843 121.373 120.500 0.050 0.000 2.640 59 R HA -0.043 4.395 4.340 0.164 0.000 0.270 59 R C 0.513 176.836 176.300 0.038 0.000 1.024 59 R CA 0.685 56.799 56.100 0.024 0.000 1.085 59 R CB 0.385 30.685 30.300 0.000 0.000 0.963 59 R HN 0.298 nan 8.270 nan 0.000 0.426 60 E N 0.886 121.099 120.200 0.022 0.000 2.474 60 E HA 0.075 4.524 4.350 0.164 0.000 0.215 60 E C 0.785 177.397 176.600 0.020 0.000 0.867 60 E CA 0.351 56.767 56.400 0.026 0.000 1.135 60 E CB 0.925 30.639 29.700 0.023 0.000 1.147 60 E HN 0.671 nan 8.360 nan 0.000 0.534 61 A N 0.631 123.455 122.820 0.006 0.000 2.026 61 A HA 0.222 4.640 4.320 0.164 0.000 0.201 61 A C 0.618 178.194 177.584 -0.012 0.000 1.318 61 A CA -0.177 51.859 52.037 -0.001 0.000 0.857 61 A CB 0.330 19.326 19.000 -0.007 0.000 0.939 61 A HN 0.127 nan 8.150 nan 0.000 0.476 62 L N 1.516 122.721 121.223 -0.030 0.000 2.305 62 L HA 0.552 4.990 4.340 0.164 0.000 0.281 62 L C -0.616 176.217 176.870 -0.062 0.000 1.085 62 L CA 0.570 55.374 54.840 -0.059 0.000 0.813 62 L CB 1.293 43.298 42.059 -0.090 0.000 1.157 62 L HN 0.112 nan 8.230 nan 0.000 0.436 63 T N 4.416 118.935 114.554 -0.059 0.000 2.855 63 T HA 0.692 5.140 4.350 0.164 0.000 0.281 63 T C -0.945 173.684 174.700 -0.118 0.000 1.007 63 T CA -0.425 61.642 62.100 -0.056 0.000 1.009 63 T CB 1.556 70.446 68.868 0.036 0.000 0.983 63 T HN 0.372 nan 8.240 nan 0.000 0.455 64 V N 4.089 123.908 119.914 -0.159 0.000 2.525 64 V HA 0.411 4.629 4.120 0.164 0.000 0.299 64 V C -0.439 175.581 176.094 -0.124 0.000 1.034 64 V CA -1.210 60.968 62.300 -0.203 0.000 0.863 64 V CB 1.433 33.035 31.823 -0.369 0.000 0.999 64 V HN 0.987 nan 8.190 nan 0.000 0.423 65 N N 2.652 121.275 118.700 -0.128 0.000 2.681 65 N HA -0.110 4.729 4.740 0.164 0.000 0.259 65 N C -2.369 173.073 175.510 -0.113 0.000 1.066 65 N CA 0.386 53.361 53.050 -0.125 0.000 0.717 65 N CB -0.984 37.479 38.487 -0.040 0.000 0.885 65 N HN 0.506 nan 8.380 nan 0.000 0.547 66 P HA 0.159 nan 4.420 nan 0.000 0.269 66 P C -0.180 177.165 177.300 0.076 0.000 1.217 66 P CA -0.029 63.154 63.100 0.139 0.000 0.783 66 P CB 0.636 32.413 31.700 0.128 0.000 0.898 67 A N 2.018 125.042 122.820 0.341 0.000 3.154 67 A HA 0.415 4.833 4.320 0.164 0.000 0.310 67 A C 0.258 177.982 177.584 0.234 0.000 1.093 67 A CA -0.248 51.939 52.037 0.249 0.000 1.006 67 A CB -0.506 18.628 19.000 0.224 0.000 1.084 67 A HN 0.604 nan 8.150 nan 0.000 0.549 68 K N -1.579 118.885 120.400 0.107 0.000 2.607 68 K HA 0.827 5.245 4.320 0.164 0.000 0.287 68 K C -0.640 175.978 176.600 0.031 0.000 0.996 68 K CA -0.481 55.862 56.287 0.094 0.000 0.876 68 K CB 1.135 33.590 32.500 -0.074 0.000 1.496 68 K HN 0.459 nan 8.250 nan 0.000 0.415 69 A N 0.201 123.093 122.820 0.119 0.000 2.548 69 A HA 0.800 5.218 4.320 0.164 0.000 0.262 69 A C -0.555 177.083 177.584 0.090 0.000 1.271 69 A CA -0.401 51.645 52.037 0.016 0.000 0.839 69 A CB 0.592 19.517 19.000 -0.125 0.000 1.381 69 A HN 1.133 nan 8.150 nan 0.000 0.468 70 C N -1.608 117.716 119.300 0.040 0.000 2.358 70 C HA 0.579 5.137 4.460 0.164 0.000 0.354 70 C C 1.399 176.398 174.990 0.014 0.000 1.183 70 C CA -0.374 58.662 59.018 0.029 0.000 2.150 70 C CB 0.593 28.363 27.740 0.051 0.000 2.361 70 C HN 0.925 nan 8.230 nan 0.000 0.535 71 Q N 1.620 121.406 119.800 -0.023 0.000 2.062 71 Q HA -0.154 4.284 4.340 0.164 0.000 0.209 71 Q C -0.375 175.597 176.000 -0.047 0.000 0.996 71 Q CA 2.501 58.286 55.803 -0.030 0.000 0.859 71 Q CB -1.241 27.466 28.738 -0.052 0.000 0.920 71 Q HN 0.742 nan 8.270 nan 0.000 0.415 72 P HA -0.154 nan 4.420 nan 0.000 0.222 72 P C 1.452 178.436 177.300 -0.527 0.000 1.147 72 P CA 0.866 63.814 63.100 -0.253 0.000 0.790 72 P CB -0.096 31.502 31.700 -0.171 0.000 0.780 73 L N 0.658 121.524 121.223 -0.594 0.000 2.013 73 L HA -0.099 4.339 4.340 0.164 0.000 0.212 73 L C 2.508 179.555 176.870 0.294 0.000 1.073 73 L CA 2.577 57.252 54.840 -0.275 0.000 0.753 73 L CB -1.543 40.474 42.059 -0.072 0.000 0.890 73 L HN -0.023 nan 8.230 nan 0.000 0.432 74 G N -1.627 107.400 108.800 0.378 0.000 2.408 74 G HA2 -0.179 3.879 3.960 0.164 0.000 0.217 74 G HA3 -0.179 3.879 3.960 0.164 0.000 0.217 74 G C 1.592 176.711 174.900 0.364 0.000 1.150 74 G CA 0.649 46.138 45.100 0.647 0.000 0.776 74 G HN 0.628 nan 8.290 nan 0.000 0.542 75 A N 0.263 123.164 122.820 0.135 0.000 1.902 75 A HA 0.074 4.492 4.320 0.164 0.000 0.217 75 A C 2.588 180.183 177.584 0.019 0.000 1.181 75 A CA 1.740 53.785 52.037 0.015 0.000 0.623 75 A CB -0.600 18.397 19.000 -0.006 0.000 0.818 75 A HN 0.235 nan 8.150 nan 0.000 0.443 76 V N -0.304 119.656 119.914 0.077 0.000 2.295 76 V HA -0.238 3.980 4.120 0.164 0.000 0.246 76 V C 2.493 178.650 176.094 0.105 0.000 1.049 76 V CA 1.983 64.360 62.300 0.128 0.000 1.024 76 V CB -0.769 31.181 31.823 0.213 0.000 0.648 76 V HN 0.598 nan 8.190 nan 0.000 0.447 77 L N -0.020 121.295 121.223 0.152 0.000 2.042 77 L HA -0.199 4.239 4.340 0.164 0.000 0.210 77 L C 2.484 179.367 176.870 0.020 0.000 1.076 77 L CA 2.385 57.214 54.840 -0.018 0.000 0.749 77 L CB -0.936 41.077 42.059 -0.078 0.000 0.893 77 L HN 0.499 nan 8.230 nan 0.000 0.432 78 C N -0.567 118.661 119.300 -0.120 0.000 2.436 78 C HA -0.134 4.424 4.460 0.164 0.000 0.277 78 C C 3.012 177.989 174.990 -0.021 0.000 1.241 78 C CA 0.992 59.743 59.018 -0.446 0.000 1.721 78 C CB -1.413 25.631 27.740 -1.160 0.000 2.043 78 C HN 0.689 nan 8.230 nan 0.000 0.472 79 A N 0.214 123.040 122.820 0.010 0.000 1.940 79 A HA -0.076 4.342 4.320 0.164 0.000 0.219 79 A C 2.178 179.869 177.584 0.180 0.000 1.176 79 A CA 1.774 53.887 52.037 0.127 0.000 0.631 79 A CB -0.777 18.250 19.000 0.045 0.000 0.814 79 A HN 0.713 nan 8.150 nan 0.000 0.446 80 L N -0.688 120.574 121.223 0.066 0.000 2.353 80 L HA -0.126 4.312 4.340 0.164 0.000 0.220 80 L C 2.381 179.225 176.870 -0.043 0.000 1.133 80 L CA 0.734 55.580 54.840 0.010 0.000 0.798 80 L CB -0.406 41.599 42.059 -0.090 0.000 0.922 80 L HN 0.512 nan 8.230 nan 0.000 0.445 81 G N -1.044 107.707 108.800 -0.082 0.000 3.026 81 G HA2 0.022 4.080 3.960 0.164 0.000 0.208 81 G HA3 0.022 4.080 3.960 0.164 0.000 0.208 81 G C 0.121 174.728 174.900 -0.488 0.000 1.169 81 G CA -0.237 44.688 45.100 -0.292 0.000 0.788 81 G HN 0.077 nan 8.290 nan 0.000 0.533 82 F N -0.250 119.667 119.950 -0.055 0.000 2.492 82 F HA 0.380 5.003 4.527 0.161 0.000 0.327 82 F C 0.516 176.269 175.800 -0.078 0.000 1.079 82 F CA -1.403 56.558 58.000 -0.065 0.000 0.967 82 F CB 1.565 40.523 39.000 -0.071 0.000 1.169 82 F HN -0.077 nan 8.300 nan 0.000 0.472 83 E N 2.928 123.154 120.200 0.043 0.000 2.415 83 E HA -0.001 4.447 4.350 0.164 0.000 0.263 83 E C -0.188 176.356 176.600 -0.093 0.000 0.995 83 E CA 0.007 56.386 56.400 -0.034 0.000 0.915 83 E CB 0.266 29.935 29.700 -0.051 0.000 0.951 83 E HN 0.588 nan 8.360 nan 0.000 0.449 84 K N 2.106 122.393 120.400 -0.189 0.000 3.071 84 K HA -0.174 4.244 4.320 0.164 0.000 0.262 84 K C -0.868 175.415 176.600 -0.528 0.000 0.977 84 K CA 0.857 56.786 56.287 -0.596 0.000 0.721 84 K CB -1.620 30.589 32.500 -0.485 0.000 1.293 84 K HN 0.465 nan 8.250 nan 0.000 0.475 85 T N 1.075 115.514 114.554 -0.191 0.000 2.771 85 T HA 0.437 4.885 4.350 0.164 0.000 0.281 85 T C -0.225 174.572 174.700 0.161 0.000 0.982 85 T CA -0.701 61.392 62.100 -0.011 0.000 0.978 85 T CB 1.170 70.081 68.868 0.071 0.000 0.930 85 T HN 0.157 nan 8.240 nan 0.000 0.447 86 M N 5.982 125.703 119.600 0.200 0.000 2.113 86 M HA 0.426 5.004 4.480 0.164 0.000 0.352 86 M C -2.623 173.802 176.300 0.208 0.000 1.170 86 M CA -2.471 52.994 55.300 0.274 0.000 1.053 86 M CB 0.799 33.591 32.600 0.321 0.000 1.601 86 M HN 0.148 nan 8.290 nan 0.000 0.459 87 P HA 0.135 nan 4.420 nan 0.000 0.271 87 P C -2.015 175.440 177.300 0.259 0.000 1.216 87 P CA 0.180 63.390 63.100 0.184 0.000 0.771 87 P CB 0.184 31.980 31.700 0.160 0.000 0.864 88 Y N 3.223 123.585 120.300 0.104 0.000 2.354 88 Y HA 0.454 5.105 4.550 0.168 0.000 0.330 88 Y C -1.505 174.475 175.900 0.133 0.000 1.011 88 Y CA -1.090 57.082 58.100 0.120 0.000 1.099 88 Y CB 1.434 39.961 38.460 0.111 0.000 1.179 88 Y HN 0.064 nan 8.280 nan 0.000 0.442 89 V N 6.454 126.474 119.914 0.177 0.000 2.313 89 V HA 0.189 4.407 4.120 0.164 0.000 0.278 89 V C -0.431 175.762 176.094 0.166 0.000 1.017 89 V CA -0.775 61.663 62.300 0.230 0.000 0.823 89 V CB 0.506 32.494 31.823 0.275 0.000 1.010 89 V HN 0.813 nan 8.190 nan 0.000 0.443 90 H N 3.865 123.067 119.070 0.221 0.000 2.899 90 H HA 0.602 5.256 4.556 0.165 0.000 0.303 90 H C 0.516 175.918 175.328 0.123 0.000 1.042 90 H CA 1.508 57.678 56.048 0.204 0.000 1.479 90 H CB 0.525 30.434 29.762 0.246 0.000 1.493 90 H HN 0.999 nan 8.280 nan 0.000 0.534 91 G N 2.540 111.150 108.800 -0.317 0.000 2.247 91 G HA2 -0.012 4.046 3.960 0.164 0.000 0.229 91 G HA3 -0.012 4.046 3.960 0.164 0.000 0.229 91 G C -0.975 173.845 174.900 -0.132 0.000 1.345 91 G CA -0.418 44.550 45.100 -0.220 0.000 1.100 91 G HN 0.921 nan 8.290 nan 0.000 0.473 92 S N 0.304 115.958 115.700 -0.077 0.000 2.537 92 S HA 0.447 5.015 4.470 0.164 0.000 0.275 92 S C 1.281 175.824 174.600 -0.094 0.000 1.272 92 S CA 0.543 58.696 58.200 -0.078 0.000 1.050 92 S CB 1.681 64.846 63.200 -0.059 0.000 0.961 92 S HN 1.114 nan 8.310 nan 0.000 0.496 93 Q N 2.498 122.233 119.800 -0.108 0.000 2.297 93 Q HA 0.004 4.442 4.340 0.164 0.000 0.204 93 Q C 1.717 177.605 176.000 -0.187 0.000 0.962 93 Q CA 1.282 57.007 55.803 -0.131 0.000 0.879 93 Q CB -0.879 27.792 28.738 -0.111 0.000 0.947 93 Q HN 0.856 nan 8.270 nan 0.000 0.462 94 G N 1.298 109.979 108.800 -0.197 0.000 2.442 94 G HA2 -0.279 3.779 3.960 0.164 0.000 0.219 94 G HA3 -0.279 3.779 3.960 0.164 0.000 0.219 94 G C 1.410 176.081 174.900 -0.382 0.000 1.141 94 G CA 1.002 45.926 45.100 -0.293 0.000 0.763 94 G HN 0.502 nan 8.290 nan 0.000 0.554 95 C N -0.099 119.010 119.300 -0.319 0.000 2.413 95 C HA -0.033 4.525 4.460 0.164 0.000 0.276 95 C C 3.012 177.352 174.990 -1.084 0.000 1.236 95 C CA 0.707 59.377 59.018 -0.581 0.000 1.735 95 C CB -1.069 26.444 27.740 -0.377 0.000 2.031 95 C HN 0.288 nan 8.230 nan 0.000 0.474 96 V N 1.401 120.969 119.914 -0.576 0.000 2.427 96 V HA -0.175 4.043 4.120 0.164 0.000 0.248 96 V C 2.741 178.710 176.094 -0.208 0.000 1.051 96 V CA 1.999 64.116 62.300 -0.306 0.000 1.048 96 V CB -1.249 30.532 31.823 -0.070 0.000 0.666 96 V HN 0.601 nan 8.190 nan 0.000 0.456 97 A N -0.685 121.982 122.820 -0.255 0.000 1.883 97 A HA -0.253 4.165 4.320 0.164 0.000 0.217 97 A C 2.082 179.595 177.584 -0.118 0.000 1.186 97 A CA 2.118 54.031 52.037 -0.205 0.000 0.624 97 A CB -0.748 18.069 19.000 -0.305 0.000 0.822 97 A HN 0.548 nan 8.150 nan 0.000 0.444 98 Y N -1.085 119.084 120.300 -0.219 0.000 2.200 98 Y HA -0.100 4.441 4.550 -0.014 0.000 0.290 98 Y C 2.206 178.094 175.900 -0.019 0.000 1.137 98 Y CA 0.743 58.752 58.100 -0.152 0.000 1.163 98 Y CB -0.971 37.351 38.460 -0.230 0.000 0.988 98 Y HN 0.336 nan 8.280 nan 0.000 0.518 99 F N -0.040 120.024 119.950 0.190 0.000 2.134 99 F HA -0.164 4.467 4.527 0.172 0.000 0.299 99 F C 2.330 178.279 175.800 0.250 0.000 1.097 99 F CA 1.012 59.105 58.000 0.154 0.000 1.264 99 F CB -1.246 37.868 39.000 0.190 0.000 1.001 99 F HN -0.059 nan 8.300 nan 0.000 0.479 100 R N 0.468 121.202 120.500 0.389 0.000 2.070 100 R HA -0.146 4.292 4.340 0.164 0.000 0.233 100 R C 2.513 179.000 176.300 0.311 0.000 1.137 100 R CA 1.888 58.191 56.100 0.338 0.000 0.945 100 R CB -0.867 29.550 30.300 0.197 0.000 0.845 100 R HN 0.400 nan 8.270 nan 0.000 0.430 101 S N 0.033 115.875 115.700 0.236 0.000 2.368 101 S HA -0.217 4.351 4.470 0.164 0.000 0.225 101 S C 1.962 176.708 174.600 0.243 0.000 1.030 101 S CA 0.993 59.307 58.200 0.191 0.000 0.999 101 S CB -0.654 62.629 63.200 0.139 0.000 0.844 101 S HN 0.340 nan 8.310 nan 0.000 0.459 102 Y N 1.539 121.931 120.300 0.152 0.000 2.145 102 Y HA -0.038 4.577 4.550 0.107 0.000 0.286 102 Y C 1.956 178.052 175.900 0.328 0.000 1.145 102 Y CA 1.336 59.535 58.100 0.166 0.000 1.148 102 Y CB -0.648 37.865 38.460 0.088 0.000 0.981 102 Y HN 0.247 nan 8.280 nan 0.000 0.507 103 F N 0.202 120.475 119.950 0.539 0.000 2.206 103 F HA -0.183 4.451 4.527 0.178 0.000 0.298 103 F C 2.189 178.240 175.800 0.418 0.000 1.090 103 F CA 1.098 59.417 58.000 0.532 0.000 1.323 103 F CB -1.006 38.324 39.000 0.551 0.000 1.028 103 F HN 0.094 nan 8.300 nan 0.000 0.492 104 N N 0.512 119.481 118.700 0.449 0.000 2.104 104 N HA -0.173 4.665 4.740 0.164 0.000 0.190 104 N C 1.920 177.520 175.510 0.151 0.000 1.024 104 N CA 1.223 54.426 53.050 0.256 0.000 0.853 104 N CB -0.411 38.161 38.487 0.143 0.000 1.008 104 N HN 0.309 nan 8.380 nan 0.000 0.424 105 R N -0.661 119.892 120.500 0.088 0.000 2.148 105 R HA -0.058 4.380 4.340 0.164 0.000 0.223 105 R C 1.907 178.276 176.300 0.115 0.000 1.088 105 R CA 0.786 56.849 56.100 -0.062 0.000 0.985 105 R CB -0.207 29.774 30.300 -0.532 0.000 0.880 105 R HN 0.415 nan 8.270 nan 0.000 0.451 106 H N -0.664 118.495 119.070 0.148 0.000 2.384 106 H HA 0.008 4.658 4.556 0.156 0.000 0.300 106 H C 1.070 176.185 175.328 -0.355 0.000 1.057 106 H CA 1.457 57.447 56.048 -0.098 0.000 1.370 106 H CB 0.163 29.791 29.762 -0.224 0.000 1.417 106 H HN 0.039 nan 8.280 nan 0.000 0.527 107 F N 0.173 120.042 119.950 -0.136 0.000 2.619 107 F HA 0.259 4.881 4.527 0.157 0.000 0.293 107 F C 0.668 176.176 175.800 -0.486 0.000 1.119 107 F CA 0.348 58.014 58.000 -0.555 0.000 1.445 107 F CB 0.204 39.083 39.000 -0.201 0.000 1.119 107 F HN -0.042 nan 8.300 nan 0.000 0.573 108 R N 1.138 121.602 120.500 -0.061 0.000 3.336 108 R HA -0.162 4.276 4.340 0.164 0.000 0.260 108 R C -1.042 175.293 176.300 0.060 0.000 1.032 108 R CA 0.419 56.505 56.100 -0.023 0.000 0.693 108 R CB -2.105 28.150 30.300 -0.075 0.000 1.134 108 R HN 0.209 nan 8.270 nan 0.000 0.433 109 E N -0.750 119.508 120.200 0.096 0.000 2.413 109 E HA 0.377 4.825 4.350 0.164 0.000 0.277 109 E C -2.603 174.057 176.600 0.099 0.000 0.958 109 E CA -2.354 54.103 56.400 0.095 0.000 0.779 109 E CB 1.640 31.383 29.700 0.072 0.000 1.278 109 E HN -0.172 nan 8.360 nan 0.000 0.456 110 P HA 0.125 nan 4.420 nan 0.000 0.269 110 P C -0.710 176.655 177.300 0.107 0.000 1.209 110 P CA -0.200 62.956 63.100 0.094 0.000 0.776 110 P CB 0.492 32.293 31.700 0.168 0.000 0.876 111 V N 2.387 122.370 119.914 0.114 0.000 2.488 111 V HA 0.221 4.440 4.120 0.164 0.000 0.293 111 V C -0.217 175.941 176.094 0.107 0.000 1.027 111 V CA -0.398 61.979 62.300 0.128 0.000 0.862 111 V CB 1.642 33.609 31.823 0.240 0.000 1.008 111 V HN 0.430 nan 8.190 nan 0.000 0.428 112 S N 3.333 119.077 115.700 0.073 0.000 2.480 112 S HA 0.703 5.271 4.470 0.164 0.000 0.286 112 S C -0.438 174.195 174.600 0.056 0.000 1.180 112 S CA -0.425 57.790 58.200 0.024 0.000 1.075 112 S CB 1.275 64.453 63.200 -0.037 0.000 0.996 112 S HN 0.921 nan 8.310 nan 0.000 0.487 113 C N 3.645 122.965 119.300 0.034 0.000 3.247 113 C HA 0.678 5.236 4.460 0.164 0.000 0.375 113 C C -0.923 174.076 174.990 0.015 0.000 1.102 113 C CA -0.533 58.536 59.018 0.084 0.000 1.227 113 C CB 0.238 28.089 27.740 0.185 0.000 1.586 113 C HN 0.858 nan 8.230 nan 0.000 0.544 114 V N 2.450 122.371 119.914 0.012 0.000 3.019 114 V HA 0.966 5.184 4.120 0.164 0.000 0.317 114 V C -0.189 175.806 176.094 -0.166 0.000 1.094 114 V CA -0.212 62.044 62.300 -0.073 0.000 1.000 114 V CB 1.692 33.480 31.823 -0.058 0.000 1.060 114 V HN 1.095 nan 8.190 nan 0.000 0.443 115 S N 0.095 115.666 115.700 -0.216 0.000 2.648 115 S HA 0.573 5.141 4.470 0.164 0.000 0.305 115 S C -0.105 174.283 174.600 -0.352 0.000 1.094 115 S CA 0.068 58.110 58.200 -0.264 0.000 0.983 115 S CB 1.753 64.869 63.200 -0.140 0.000 1.101 115 S HN 1.125 nan 8.310 nan 0.000 0.514 116 D N 0.389 120.607 120.400 -0.303 0.000 2.424 116 D HA 0.214 4.952 4.640 0.164 0.000 0.220 116 D C -0.042 176.220 176.300 -0.064 0.000 1.150 116 D CA -0.189 53.732 54.000 -0.132 0.000 0.831 116 D CB -0.350 40.473 40.800 0.038 0.000 0.981 116 D HN 0.353 nan 8.370 nan 0.000 0.500 117 S N -0.184 115.464 115.700 -0.088 0.000 3.628 117 S HA -0.230 4.338 4.470 0.164 0.000 0.373 117 S C 0.242 174.810 174.600 -0.053 0.000 0.968 117 S CA 0.156 58.317 58.200 -0.066 0.000 1.215 117 S CB -1.824 61.349 63.200 -0.045 0.000 0.912 117 S HN 0.516 nan 8.310 nan 0.000 0.495 118 M N 1.754 121.307 119.600 -0.078 0.000 2.219 118 M HA 0.226 4.804 4.480 0.164 0.000 0.353 118 M C 1.131 177.391 176.300 -0.066 0.000 1.304 118 M CA 0.502 55.758 55.300 -0.073 0.000 1.115 118 M CB 0.549 33.075 32.600 -0.123 0.000 1.664 118 M HN 0.602 nan 8.290 nan 0.000 0.459 119 T N -1.931 112.589 114.554 -0.056 0.000 2.718 119 T HA 0.329 4.778 4.350 0.164 0.000 0.267 119 T C 0.821 175.468 174.700 -0.089 0.000 0.957 119 T CA -0.853 61.212 62.100 -0.058 0.000 1.025 119 T CB 1.010 69.858 68.868 -0.034 0.000 1.355 119 T HN 0.677 nan 8.240 nan 0.000 0.572 120 E N 0.353 120.501 120.200 -0.086 0.000 2.209 120 E HA -0.183 4.265 4.350 0.164 0.000 0.196 120 E C 1.388 177.853 176.600 -0.225 0.000 0.993 120 E CA 1.396 57.722 56.400 -0.122 0.000 0.819 120 E CB -0.124 29.527 29.700 -0.080 0.000 0.745 120 E HN 0.524 nan 8.360 nan 0.000 0.477 121 D N 0.060 120.342 120.400 -0.197 0.000 2.117 121 D HA -0.129 4.610 4.640 0.164 0.000 0.198 121 D C 1.735 177.454 176.300 -0.968 0.000 0.982 121 D CA 1.146 54.918 54.000 -0.380 0.000 0.828 121 D CB -0.105 40.765 40.800 0.117 0.000 0.967 121 D HN 0.157 nan 8.370 nan 0.000 0.464 122 A N 0.842 123.433 122.820 -0.381 0.000 2.119 122 A HA 0.161 4.579 4.320 0.164 0.000 0.216 122 A C 2.236 179.652 177.584 -0.280 0.000 1.152 122 A CA 1.272 53.153 52.037 -0.261 0.000 0.708 122 A CB -0.289 18.684 19.000 -0.046 0.000 0.805 122 A HN 0.195 nan 8.150 nan 0.000 0.460 123 A N -0.686 121.958 122.820 -0.294 0.000 1.972 123 A HA 0.025 4.443 4.320 0.164 0.000 0.219 123 A C 2.135 179.600 177.584 -0.198 0.000 1.169 123 A CA 1.934 53.859 52.037 -0.188 0.000 0.635 123 A CB -0.481 18.426 19.000 -0.155 0.000 0.810 123 A HN 1.054 nan 8.150 nan 0.000 0.446 124 V N -1.720 117.973 119.914 -0.369 0.000 3.570 124 V HA 0.208 4.426 4.120 0.164 0.000 0.257 124 V C 1.212 177.212 176.094 -0.156 0.000 1.272 124 V CA 0.875 63.023 62.300 -0.253 0.000 1.079 124 V CB -0.262 31.430 31.823 -0.217 0.000 0.829 124 V HN 0.524 nan 8.190 nan 0.000 0.454 125 F N 0.864 120.836 119.950 0.037 0.000 2.678 125 F HA 0.828 5.454 4.527 0.164 0.000 0.305 125 F C 0.988 176.828 175.800 0.067 0.000 1.090 125 F CA -0.227 57.797 58.000 0.039 0.000 1.272 125 F CB -0.582 38.428 39.000 0.016 0.000 1.060 125 F HN 0.263 nan 8.300 nan 0.000 0.576 126 G N 0.592 109.498 108.800 0.177 0.000 2.781 126 G HA2 0.081 4.139 3.960 0.164 0.000 0.683 126 G HA3 0.081 4.139 3.960 0.164 0.000 0.683 126 G C 0.401 175.454 174.900 0.255 0.000 1.390 126 G CA -0.625 44.632 45.100 0.261 0.000 0.850 126 G HN 0.793 nan 8.290 nan 0.000 0.557 127 G N -0.660 108.369 108.800 0.381 0.000 3.591 127 G HA2 0.392 4.450 3.960 0.164 0.000 0.282 127 G HA3 0.392 4.450 3.960 0.164 0.000 0.282 127 G C 1.024 175.996 174.900 0.120 0.000 1.238 127 G CA 1.233 46.530 45.100 0.328 0.000 0.993 127 G HN 0.892 nan 8.290 nan 0.000 0.542 128 Q N 0.361 119.874 119.800 -0.477 0.000 2.050 128 Q HA -0.146 4.292 4.340 0.164 0.000 0.202 128 Q C 2.376 178.127 176.000 -0.415 0.000 0.980 128 Q CA 1.844 57.058 55.803 -0.982 0.000 0.840 128 Q CB -0.167 27.917 28.738 -1.091 0.000 0.898 128 Q HN 0.423 nan 8.270 nan 0.000 0.424 129 Q N 0.206 119.866 119.800 -0.233 0.000 2.119 129 Q HA -0.081 4.357 4.340 0.164 0.000 0.201 129 Q C 1.616 177.542 176.000 -0.123 0.000 0.972 129 Q CA 1.956 57.644 55.803 -0.191 0.000 0.847 129 Q CB -0.249 28.427 28.738 -0.104 0.000 0.903 129 Q HN 0.561 nan 8.270 nan 0.000 0.433 130 N N -0.426 118.269 118.700 -0.009 0.000 2.094 130 N HA -0.221 4.617 4.740 0.164 0.000 0.191 130 N C 1.647 177.231 175.510 0.123 0.000 1.023 130 N CA 1.681 54.774 53.050 0.072 0.000 0.857 130 N CB -0.222 38.339 38.487 0.124 0.000 1.013 130 N HN 0.301 nan 8.380 nan 0.000 0.426 131 M N 1.870 121.545 119.600 0.124 0.000 2.086 131 M HA -0.122 4.456 4.480 0.164 0.000 0.261 131 M C 1.811 178.069 176.300 -0.070 0.000 1.067 131 M CA 1.648 57.005 55.300 0.096 0.000 1.116 131 M CB -0.098 32.500 32.600 -0.003 0.000 1.348 131 M HN -0.059 nan 8.290 nan 0.000 0.407 132 K N -0.184 120.034 120.400 -0.305 0.000 1.991 132 K HA -0.172 4.246 4.320 0.164 0.000 0.212 132 K C 1.794 178.150 176.600 -0.407 0.000 1.049 132 K CA 1.773 57.658 56.287 -0.670 0.000 0.932 132 K CB -0.501 31.113 32.500 -1.476 0.000 0.717 132 K HN 0.381 nan 8.250 nan 0.000 0.441 133 D N -0.066 120.180 120.400 -0.256 0.000 2.117 133 D HA -0.099 4.639 4.640 0.164 0.000 0.198 133 D C 2.009 178.365 176.300 0.094 0.000 0.982 133 D CA 1.347 55.353 54.000 0.011 0.000 0.828 133 D CB -0.406 40.407 40.800 0.021 0.000 0.967 133 D HN 0.379 nan 8.370 nan 0.000 0.464 134 G N 1.124 109.999 108.800 0.125 0.000 2.421 134 G HA2 -0.205 3.853 3.960 0.164 0.000 0.216 134 G HA3 -0.205 3.853 3.960 0.164 0.000 0.216 134 G C 1.857 176.968 174.900 0.351 0.000 1.171 134 G CA 0.340 45.594 45.100 0.257 0.000 0.775 134 G HN 0.233 nan 8.290 nan 0.000 0.543 135 L N -0.128 121.240 121.223 0.241 0.000 2.012 135 L HA -0.157 4.282 4.340 0.164 0.000 0.210 135 L C 3.004 179.920 176.870 0.076 0.000 1.073 135 L CA 1.725 56.627 54.840 0.104 0.000 0.748 135 L CB -0.494 41.535 42.059 -0.050 0.000 0.891 135 L HN 0.317 nan 8.230 nan 0.000 0.431 136 Q N 0.091 119.957 119.800 0.109 0.000 2.050 136 Q HA -0.208 4.230 4.340 0.164 0.000 0.202 136 Q C 2.044 178.086 176.000 0.070 0.000 0.980 136 Q CA 1.629 57.488 55.803 0.094 0.000 0.840 136 Q CB 0.088 28.954 28.738 0.212 0.000 0.898 136 Q HN 0.488 nan 8.270 nan 0.000 0.424 137 N N 0.330 119.094 118.700 0.106 0.000 2.120 137 N HA -0.170 4.668 4.740 0.164 0.000 0.188 137 N C 1.914 177.487 175.510 0.104 0.000 1.024 137 N CA 1.321 54.424 53.050 0.088 0.000 0.852 137 N CB -0.945 37.602 38.487 0.101 0.000 1.003 137 N HN 0.349 nan 8.380 nan 0.000 0.424 138 C N 1.568 120.982 119.300 0.189 0.000 2.453 138 C HA -0.018 4.540 4.460 0.164 0.000 0.277 138 C C 2.658 177.771 174.990 0.206 0.000 1.262 138 C CA 0.832 60.026 59.018 0.293 0.000 1.718 138 C CB -0.867 27.101 27.740 0.380 0.000 2.031 138 C HN 0.430 nan 8.230 nan 0.000 0.480 139 K N 0.487 120.933 120.400 0.077 0.000 2.032 139 K HA -0.130 4.288 4.320 0.164 0.000 0.209 139 K C 2.164 178.758 176.600 -0.010 0.000 1.048 139 K CA 1.841 58.108 56.287 -0.034 0.000 0.927 139 K CB -0.408 31.912 32.500 -0.299 0.000 0.712 139 K HN 0.532 nan 8.250 nan 0.000 0.441 140 A N 0.120 122.926 122.820 -0.024 0.000 1.930 140 A HA -0.108 4.310 4.320 0.164 0.000 0.217 140 A C 2.111 179.658 177.584 -0.062 0.000 1.175 140 A CA 2.076 54.091 52.037 -0.037 0.000 0.627 140 A CB -0.691 18.288 19.000 -0.036 0.000 0.815 140 A HN 0.445 nan 8.150 nan 0.000 0.443 141 T N -2.044 112.439 114.554 -0.118 0.000 2.939 141 T HA 0.035 4.484 4.350 0.164 0.000 0.254 141 T C 1.287 175.724 174.700 -0.439 0.000 1.041 141 T CA 1.286 63.176 62.100 -0.350 0.000 1.142 141 T CB -0.253 68.281 68.868 -0.558 0.000 0.874 141 T HN 0.527 nan 8.240 nan 0.000 0.452 142 Y N 0.809 121.183 120.300 0.123 0.000 2.444 142 Y HA 0.396 5.047 4.550 0.169 0.000 0.249 142 Y C 0.765 176.818 175.900 0.254 0.000 1.134 142 Y CA -0.840 57.365 58.100 0.176 0.000 1.261 142 Y CB -0.035 38.543 38.460 0.196 0.000 1.143 142 Y HN 0.026 nan 8.280 nan 0.000 0.523 143 K N 0.345 120.896 120.400 0.252 0.000 3.156 143 K HA -0.180 4.239 4.320 0.164 0.000 0.266 143 K C -2.766 173.971 176.600 0.228 0.000 0.966 143 K CA 0.176 56.585 56.287 0.204 0.000 0.719 143 K CB -1.404 31.190 32.500 0.157 0.000 1.333 143 K HN 0.294 nan 8.250 nan 0.000 0.468 144 P HA 0.053 nan 4.420 nan 0.000 0.274 144 P C -0.139 177.248 177.300 0.144 0.000 1.237 144 P CA -0.053 63.073 63.100 0.043 0.000 0.793 144 P CB 0.658 32.474 31.700 0.192 0.000 0.977 145 D N -0.190 120.185 120.400 -0.042 0.000 2.350 145 D HA 0.169 4.907 4.640 0.164 0.000 0.213 145 D C 0.658 176.780 176.300 -0.296 0.000 1.031 145 D CA 0.917 54.902 54.000 -0.025 0.000 0.861 145 D CB 0.276 41.020 40.800 -0.094 0.000 0.926 145 D HN 0.336 nan 8.370 nan 0.000 0.520 146 M N 0.389 119.855 119.600 -0.223 0.000 2.465 146 M HA 0.367 4.945 4.480 0.164 0.000 0.284 146 M C -2.096 174.177 176.300 -0.046 0.000 1.212 146 M CA -0.490 54.596 55.300 -0.356 0.000 0.910 146 M CB 2.568 35.023 32.600 -0.241 0.000 1.725 146 M HN -0.326 nan 8.290 nan 0.000 0.477 147 I N 3.352 123.919 120.570 -0.005 0.000 2.418 147 I HA 0.609 4.877 4.170 0.164 0.000 0.287 147 I C -0.498 175.572 176.117 -0.079 0.000 1.008 147 I CA -0.724 60.622 61.300 0.077 0.000 1.104 147 I CB 1.989 40.086 38.000 0.161 0.000 1.264 147 I HN 0.797 nan 8.210 nan 0.000 0.438 148 A N 7.006 129.798 122.820 -0.046 0.000 2.256 148 A HA 0.684 5.102 4.320 0.164 0.000 0.317 148 A C -0.533 177.045 177.584 -0.010 0.000 1.318 148 A CA -0.452 51.518 52.037 -0.111 0.000 0.894 148 A CB 0.717 19.636 19.000 -0.134 0.000 1.165 148 A HN 0.448 nan 8.150 nan 0.000 0.525 149 V N 3.339 123.230 119.914 -0.039 0.000 2.439 149 V HA 0.569 4.787 4.120 0.164 0.000 0.282 149 V C 0.606 176.744 176.094 0.074 0.000 1.039 149 V CA 0.201 62.535 62.300 0.056 0.000 0.913 149 V CB 1.100 32.894 31.823 -0.050 0.000 0.983 149 V HN 1.105 nan 8.190 nan 0.000 0.460 150 S N 3.047 118.828 115.700 0.135 0.000 2.841 150 S HA 0.891 5.459 4.470 0.164 0.000 0.318 150 S C -0.293 174.397 174.600 0.151 0.000 1.127 150 S CA -0.452 57.804 58.200 0.093 0.000 0.883 150 S CB 2.252 65.491 63.200 0.066 0.000 1.271 150 S HN 0.849 nan 8.310 nan 0.000 0.567 151 T N -1.096 113.532 114.554 0.123 0.000 2.900 151 T HA 0.704 5.152 4.350 0.164 0.000 0.295 151 T C 0.018 174.809 174.700 0.152 0.000 1.044 151 T CA -0.441 61.754 62.100 0.159 0.000 0.995 151 T CB 1.134 70.089 68.868 0.147 0.000 1.072 151 T HN 1.036 nan 8.240 nan 0.000 0.473 152 T N -1.406 113.240 114.554 0.154 0.000 2.847 152 T HA 0.283 4.731 4.350 0.164 0.000 0.279 152 T C 1.956 176.737 174.700 0.135 0.000 0.984 152 T CA -0.230 61.962 62.100 0.153 0.000 0.988 152 T CB 0.388 69.332 68.868 0.126 0.000 1.040 152 T HN 1.157 nan 8.240 nan 0.000 0.528 153 C N 1.858 121.249 119.300 0.152 0.000 2.435 153 C HA -0.021 4.537 4.460 0.164 0.000 0.279 153 C C 2.685 177.796 174.990 0.201 0.000 1.321 153 C CA 0.790 59.940 59.018 0.220 0.000 1.752 153 C CB -2.116 25.798 27.740 0.290 0.000 1.959 153 C HN 0.991 nan 8.230 nan 0.000 0.500 154 M N 3.835 123.504 119.600 0.115 0.000 2.082 154 M HA 0.022 4.601 4.480 0.164 0.000 0.258 154 M C 2.221 178.568 176.300 0.078 0.000 1.069 154 M CA 2.826 58.167 55.300 0.068 0.000 1.102 154 M CB -1.438 31.172 32.600 0.017 0.000 1.336 154 M HN 0.229 nan 8.290 nan 0.000 0.404 155 A N -0.167 122.700 122.820 0.079 0.000 1.933 155 A HA -0.106 4.313 4.320 0.164 0.000 0.218 155 A C 2.154 179.839 177.584 0.167 0.000 1.175 155 A CA 1.740 53.843 52.037 0.111 0.000 0.628 155 A CB -0.693 18.382 19.000 0.124 0.000 0.814 155 A HN 0.648 nan 8.150 nan 0.000 0.444 156 E N -0.113 120.206 120.200 0.198 0.000 2.072 156 E HA -0.099 4.349 4.350 0.164 0.000 0.191 156 E C 2.222 178.964 176.600 0.236 0.000 0.985 156 E CA 1.303 57.848 56.400 0.243 0.000 0.801 156 E CB -0.603 29.250 29.700 0.256 0.000 0.750 156 E HN 0.388 nan 8.360 nan 0.000 0.452 157 V N 2.501 122.545 119.914 0.217 0.000 2.343 157 V HA -0.212 4.006 4.120 0.164 0.000 0.247 157 V C 2.486 178.619 176.094 0.065 0.000 1.051 157 V CA 1.759 64.123 62.300 0.107 0.000 1.036 157 V CB -0.644 31.204 31.823 0.041 0.000 0.654 157 V HN 0.345 nan 8.190 nan 0.000 0.451 158 I N -1.280 119.332 120.570 0.071 0.000 3.251 158 I HA 0.359 4.627 4.170 0.164 0.000 0.277 158 I C 1.408 177.563 176.117 0.063 0.000 1.268 158 I CA 0.977 62.309 61.300 0.054 0.000 1.449 158 I CB -0.360 37.669 38.000 0.048 0.000 1.083 158 I HN 0.383 nan 8.210 nan 0.000 0.464 159 G N 1.822 110.664 108.800 0.070 0.000 2.171 159 G HA2 -0.233 3.825 3.960 0.164 0.000 0.238 159 G HA3 -0.233 3.825 3.960 0.164 0.000 0.238 159 G C -0.491 174.411 174.900 0.003 0.000 1.039 159 G CA 0.139 45.261 45.100 0.037 0.000 0.759 159 G HN 0.508 nan 8.290 nan 0.000 0.501 160 D N 0.758 121.170 120.400 0.020 0.000 2.487 160 D HA 0.312 5.050 4.640 0.164 0.000 0.243 160 D C 0.371 176.439 176.300 -0.386 0.000 1.154 160 D CA 0.285 54.166 54.000 -0.198 0.000 0.876 160 D CB 0.882 41.700 40.800 0.030 0.000 1.161 160 D HN 0.229 nan 8.370 nan 0.000 0.478 161 D N 3.297 123.253 120.400 -0.740 0.000 2.422 161 D HA 0.047 4.785 4.640 0.164 0.000 0.227 161 D C 1.266 177.138 176.300 -0.714 0.000 1.190 161 D CA -0.273 53.435 54.000 -0.487 0.000 0.905 161 D CB 0.348 40.969 40.800 -0.297 0.000 1.034 161 D HN 0.313 nan 8.370 nan 0.000 0.507 162 L N 3.373 124.264 121.223 -0.553 0.000 2.013 162 L HA -0.244 4.194 4.340 0.164 0.000 0.212 162 L C 2.173 178.565 176.870 -0.796 0.000 1.073 162 L CA 1.177 55.576 54.840 -0.735 0.000 0.753 162 L CB -0.563 40.970 42.059 -0.876 0.000 0.890 162 L HN 0.400 nan 8.230 nan 0.000 0.432 163 N N 0.197 118.352 118.700 -0.908 0.000 2.036 163 N HA -0.216 4.622 4.740 0.164 0.000 0.195 163 N C 1.775 177.115 175.510 -0.283 0.000 1.037 163 N CA 1.895 54.519 53.050 -0.711 0.000 0.855 163 N CB -0.163 38.120 38.487 -0.340 0.000 1.033 163 N HN 0.305 nan 8.380 nan 0.000 0.423 164 A N -0.401 122.313 122.820 -0.178 0.000 1.908 164 A HA -0.080 4.338 4.320 0.164 0.000 0.218 164 A C 2.019 179.674 177.584 0.119 0.000 1.181 164 A CA 1.233 53.267 52.037 -0.005 0.000 0.627 164 A CB -0.999 18.030 19.000 0.048 0.000 0.818 164 A HN 0.372 nan 8.150 nan 0.000 0.445 165 F N -0.152 119.688 119.950 -0.183 0.000 2.146 165 F HA -0.048 4.576 4.527 0.162 0.000 0.298 165 F C 2.211 177.899 175.800 -0.186 0.000 1.096 165 F CA 0.340 58.233 58.000 -0.179 0.000 1.275 165 F CB -0.988 37.870 39.000 -0.236 0.000 1.008 165 F HN 0.125 nan 8.300 nan 0.000 0.480 166 I N -0.033 120.513 120.570 -0.041 0.000 2.252 166 I HA -0.308 3.961 4.170 0.164 0.000 0.245 166 I C 2.076 178.183 176.117 -0.016 0.000 1.102 166 I CA 0.963 62.219 61.300 -0.075 0.000 1.385 166 I CB -0.495 37.420 38.000 -0.142 0.000 1.064 166 I HN 0.050 nan 8.210 nan 0.000 0.414 167 N N 1.231 119.923 118.700 -0.012 0.000 2.104 167 N HA -0.189 4.649 4.740 0.164 0.000 0.190 167 N C 1.478 177.007 175.510 0.032 0.000 1.024 167 N CA 1.583 54.645 53.050 0.019 0.000 0.853 167 N CB -0.743 37.754 38.487 0.016 0.000 1.008 167 N HN 0.492 nan 8.380 nan 0.000 0.424 168 N N -0.055 118.662 118.700 0.029 0.000 2.244 168 N HA -0.004 4.834 4.740 0.164 0.000 0.183 168 N C 1.545 177.082 175.510 0.046 0.000 1.016 168 N CA 0.768 53.835 53.050 0.027 0.000 0.866 168 N CB 0.023 38.510 38.487 -0.001 0.000 0.980 168 N HN 0.086 nan 8.380 nan 0.000 0.430 169 S N 0.973 116.685 115.700 0.019 0.000 2.382 169 S HA -0.081 4.488 4.470 0.164 0.000 0.228 169 S C 1.673 176.372 174.600 0.165 0.000 1.027 169 S CA 1.063 59.304 58.200 0.068 0.000 0.991 169 S CB -0.042 63.145 63.200 -0.022 0.000 0.823 169 S HN 0.304 nan 8.310 nan 0.000 0.469 170 K N 1.241 121.699 120.400 0.097 0.000 2.025 170 K HA -0.054 4.364 4.320 0.164 0.000 0.207 170 K C 2.259 178.906 176.600 0.077 0.000 1.049 170 K CA 1.025 57.365 56.287 0.088 0.000 0.933 170 K CB -0.148 32.397 32.500 0.075 0.000 0.714 170 K HN 0.217 nan 8.250 nan 0.000 0.438 171 K N 1.183 121.625 120.400 0.071 0.000 2.063 171 K HA -0.168 4.250 4.320 0.164 0.000 0.208 171 K C 1.285 177.921 176.600 0.059 0.000 1.048 171 K CA 1.426 57.746 56.287 0.054 0.000 0.928 171 K CB 0.203 32.731 32.500 0.046 0.000 0.713 171 K HN 0.009 nan 8.250 nan 0.000 0.442 172 E N -0.860 119.408 120.200 0.113 0.000 2.489 172 E HA 0.045 4.493 4.350 0.164 0.000 0.193 172 E C 0.888 177.475 176.600 -0.020 0.000 1.057 172 E CA 0.738 57.203 56.400 0.108 0.000 0.866 172 E CB 0.855 30.717 29.700 0.270 0.000 0.916 172 E HN 0.616 nan 8.360 nan 0.000 0.500 173 G N 0.779 109.578 108.800 -0.001 0.000 2.175 173 G HA2 -0.304 3.754 3.960 0.164 0.000 0.244 173 G HA3 -0.304 3.754 3.960 0.164 0.000 0.244 173 G C 0.761 175.558 174.900 -0.171 0.000 0.982 173 G CA 0.170 45.206 45.100 -0.108 0.000 0.641 173 G HN 0.298 nan 8.290 nan 0.000 0.527 174 F N 0.807 120.738 119.950 -0.033 0.000 2.234 174 F HA 0.297 4.922 4.527 0.164 0.000 0.299 174 F C 1.702 177.462 175.800 -0.068 0.000 1.087 174 F CA 1.620 59.594 58.000 -0.043 0.000 1.340 174 F CB 0.065 39.044 39.000 -0.035 0.000 1.031 174 F HN 0.475 nan 8.300 nan 0.000 0.500 175 I N -4.410 116.211 120.570 0.085 0.000 2.802 175 I HA 0.523 4.791 4.170 0.164 0.000 0.298 175 I C -3.019 173.106 176.117 0.013 0.000 1.176 175 I CA -2.747 58.535 61.300 -0.028 0.000 1.025 175 I CB 1.803 39.766 38.000 -0.062 0.000 1.243 175 I HN -0.407 nan 8.210 nan 0.000 0.424 176 P HA 0.156 nan 4.420 nan 0.000 0.269 176 P C -0.278 177.096 177.300 0.122 0.000 1.209 176 P CA 0.003 63.146 63.100 0.071 0.000 0.776 176 P CB 0.596 32.354 31.700 0.097 0.000 0.876 177 D N 1.201 121.654 120.400 0.088 0.000 2.133 177 D HA -0.177 4.562 4.640 0.164 0.000 0.195 177 D C 1.060 177.425 176.300 0.108 0.000 0.997 177 D CA 1.593 55.645 54.000 0.085 0.000 0.840 177 D CB -0.067 40.765 40.800 0.053 0.000 0.947 177 D HN 0.584 nan 8.370 nan 0.000 0.452 178 E N -0.974 119.296 120.200 0.117 0.000 2.479 178 E HA 0.030 4.479 4.350 0.164 0.000 0.193 178 E C 0.085 176.777 176.600 0.155 0.000 1.049 178 E CA -0.497 55.969 56.400 0.111 0.000 0.870 178 E CB 0.145 29.891 29.700 0.077 0.000 0.944 178 E HN 0.176 nan 8.360 nan 0.000 0.492 179 F N 3.411 123.394 119.950 0.055 0.000 2.504 179 F HA 0.147 4.771 4.527 0.162 0.000 0.369 179 F C -2.208 173.617 175.800 0.041 0.000 1.082 179 F CA -2.784 55.242 58.000 0.044 0.000 1.216 179 F CB 0.681 39.694 39.000 0.022 0.000 1.108 179 F HN -0.171 nan 8.300 nan 0.000 0.554 180 P HA 0.133 nan 4.420 nan 0.000 0.276 180 P C -1.005 175.943 177.300 -0.588 0.000 1.253 180 P CA 0.015 62.833 63.100 -0.469 0.000 0.766 180 P CB 1.140 32.613 31.700 -0.378 0.000 0.845 181 V N 5.851 125.411 119.914 -0.589 0.000 2.384 181 V HA 0.216 4.434 4.120 0.164 0.000 0.257 181 V C -2.020 173.707 176.094 -0.611 0.000 0.969 181 V CA -1.712 60.343 62.300 -0.408 0.000 0.910 181 V CB 0.950 32.718 31.823 -0.091 0.000 1.150 181 V HN 0.494 nan 8.190 nan 0.000 0.481 182 P HA 0.374 nan 4.420 nan 0.000 0.272 182 P C -0.811 176.306 177.300 -0.304 0.000 1.223 182 P CA 0.135 62.787 63.100 -0.747 0.000 0.784 182 P CB 1.102 32.314 31.700 -0.812 0.000 0.923 183 F N -1.170 118.606 119.950 -0.290 0.000 2.643 183 F HA 0.861 5.485 4.527 0.162 0.000 0.314 183 F C -1.772 173.906 175.800 -0.203 0.000 1.096 183 F CA -1.495 56.363 58.000 -0.237 0.000 0.953 183 F CB 1.265 40.125 39.000 -0.234 0.000 1.345 183 F HN 0.516 nan 8.300 nan 0.000 0.468 184 A N 0.970 123.769 122.820 -0.035 0.000 2.517 184 A HA 0.502 4.920 4.320 0.164 0.000 0.297 184 A C -1.824 175.754 177.584 -0.011 0.000 1.050 184 A CA -0.703 51.304 52.037 -0.050 0.000 0.694 184 A CB 0.775 19.713 19.000 -0.104 0.000 1.277 184 A HN 0.917 nan 8.150 nan 0.000 0.400 185 H N 2.032 121.166 119.070 0.107 0.000 2.848 185 H HA 0.320 4.974 4.556 0.164 0.000 0.317 185 H C 0.189 175.521 175.328 0.006 0.000 1.046 185 H CA 1.536 57.620 56.048 0.061 0.000 1.470 185 H CB 0.871 30.662 29.762 0.049 0.000 1.483 185 H HN 0.671 nan 8.280 nan 0.000 0.548 186 T N 1.538 116.138 114.554 0.078 0.000 3.410 186 T HA 0.213 4.661 4.350 0.164 0.000 0.328 186 T C -2.897 171.759 174.700 -0.074 0.000 1.567 186 T CA -1.912 60.190 62.100 0.004 0.000 1.626 186 T CB 0.865 69.738 68.868 0.008 0.000 0.939 186 T HN 0.290 nan 8.240 nan 0.000 0.656 187 P HA 0.156 nan 4.420 nan 0.000 0.271 187 P C 1.161 178.154 177.300 -0.512 0.000 1.226 187 P CA -0.127 62.654 63.100 -0.532 0.000 0.765 187 P CB 1.331 32.450 31.700 -0.967 0.000 0.835 188 S N 2.785 118.275 115.700 -0.350 0.000 2.481 188 S HA -0.136 4.432 4.470 0.164 0.000 0.231 188 S C 1.290 175.845 174.600 -0.075 0.000 0.996 188 S CA 0.422 58.547 58.200 -0.124 0.000 0.942 188 S CB -1.235 61.990 63.200 0.041 0.000 0.768 188 S HN 0.486 nan 8.310 nan 0.000 0.520 189 F N 0.960 120.925 119.950 0.026 0.000 2.773 189 F HA 0.601 5.225 4.527 0.162 0.000 0.304 189 F C -0.020 175.786 175.800 0.011 0.000 1.129 189 F CA -0.953 57.055 58.000 0.014 0.000 1.378 189 F CB -0.476 38.533 39.000 0.016 0.000 1.095 189 F HN -0.062 nan 8.300 nan 0.000 0.565 190 V N 1.074 120.913 119.914 -0.125 0.000 2.540 190 V HA 0.758 4.977 4.120 0.164 0.000 0.302 190 V C 0.757 176.814 176.094 -0.063 0.000 1.035 190 V CA -0.586 61.682 62.300 -0.052 0.000 0.873 190 V CB 0.605 32.375 31.823 -0.089 0.000 0.992 190 V HN 0.634 nan 8.190 nan 0.000 0.428 191 G N 4.907 113.688 108.800 -0.032 0.000 2.596 191 G HA2 -0.149 3.909 3.960 0.164 0.000 0.295 191 G HA3 -0.149 3.909 3.960 0.164 0.000 0.295 191 G C 0.181 175.023 174.900 -0.097 0.000 1.240 191 G CA 0.728 45.793 45.100 -0.059 0.000 0.985 191 G HN 1.892 nan 8.290 nan 0.000 0.555 192 S N -2.440 113.173 115.700 -0.146 0.000 2.790 192 S HA 0.613 5.181 4.470 0.164 0.000 0.292 192 S C 1.121 175.583 174.600 -0.230 0.000 1.197 192 S CA 0.682 58.773 58.200 -0.181 0.000 0.851 192 S CB 0.843 63.883 63.200 -0.267 0.000 1.217 192 S HN 1.845 nan 8.310 nan 0.000 0.526 193 H N 0.845 119.805 119.070 -0.184 0.000 2.390 193 H HA -0.104 4.554 4.556 0.170 0.000 0.298 193 H C 2.128 177.321 175.328 -0.224 0.000 1.106 193 H CA 2.289 58.215 56.048 -0.204 0.000 1.297 193 H CB -1.395 28.183 29.762 -0.307 0.000 1.375 193 H HN 0.630 nan 8.280 nan 0.000 0.509 194 V N -0.126 119.215 119.914 -0.956 0.000 2.515 194 V HA -0.143 4.075 4.120 0.164 0.000 0.250 194 V C 2.252 178.220 176.094 -0.210 0.000 1.058 194 V CA 1.892 63.761 62.300 -0.720 0.000 1.064 194 V CB -1.177 29.985 31.823 -1.102 0.000 0.675 194 V HN 0.393 nan 8.190 nan 0.000 0.461 195 T N 1.196 115.659 114.554 -0.151 0.000 2.867 195 T HA 0.022 4.470 4.350 0.164 0.000 0.268 195 T C 1.935 176.675 174.700 0.068 0.000 1.057 195 T CA 1.534 63.634 62.100 -0.001 0.000 1.136 195 T CB -0.751 68.093 68.868 -0.040 0.000 0.874 195 T HN 0.694 nan 8.240 nan 0.000 0.466 196 G N -0.203 108.629 108.800 0.054 0.000 2.408 196 G HA2 -0.190 3.868 3.960 0.164 0.000 0.217 196 G HA3 -0.190 3.868 3.960 0.164 0.000 0.217 196 G C 1.315 176.325 174.900 0.183 0.000 1.150 196 G CA 0.314 45.467 45.100 0.089 0.000 0.776 196 G HN 0.569 nan 8.290 nan 0.000 0.542 197 W N 1.102 122.472 121.300 0.116 0.000 2.354 197 W HA -0.083 4.672 4.660 0.159 0.000 0.315 197 W C 2.263 178.917 176.519 0.225 0.000 1.206 197 W CA 1.475 58.947 57.345 0.213 0.000 1.290 197 W CB 0.040 29.674 29.460 0.290 0.000 1.152 197 W HN 0.234 nan 8.180 nan 0.000 0.489 198 D N -0.025 120.743 120.400 0.614 0.000 2.104 198 D HA -0.246 4.492 4.640 0.164 0.000 0.194 198 D C 1.763 178.217 176.300 0.257 0.000 0.994 198 D CA 1.763 56.048 54.000 0.474 0.000 0.830 198 D CB -0.543 40.448 40.800 0.320 0.000 0.959 198 D HN 0.055 nan 8.370 nan 0.000 0.452 199 N N -0.303 118.489 118.700 0.152 0.000 2.120 199 N HA -0.154 4.684 4.740 0.164 0.000 0.188 199 N C 1.753 177.248 175.510 -0.025 0.000 1.024 199 N CA 0.848 53.928 53.050 0.049 0.000 0.852 199 N CB -0.447 38.062 38.487 0.036 0.000 1.003 199 N HN 0.264 nan 8.380 nan 0.000 0.424 200 M N -0.017 119.561 119.600 -0.036 0.000 2.086 200 M HA -0.078 4.500 4.480 0.164 0.000 0.261 200 M C 1.851 178.029 176.300 -0.204 0.000 1.067 200 M CA 1.258 56.473 55.300 -0.142 0.000 1.116 200 M CB -0.623 31.877 32.600 -0.166 0.000 1.348 200 M HN 0.112 nan 8.290 nan 0.000 0.407 201 F N 0.604 120.397 119.950 -0.261 0.000 2.102 201 F HA -0.207 4.417 4.527 0.162 0.000 0.298 201 F C 2.401 178.119 175.800 -0.138 0.000 1.105 201 F CA 2.222 60.099 58.000 -0.206 0.000 1.239 201 F CB -0.511 38.423 39.000 -0.110 0.000 0.991 201 F HN 0.282 nan 8.300 nan 0.000 0.474 202 E N 0.261 120.432 120.200 -0.048 0.000 2.153 202 E HA -0.152 4.296 4.350 0.164 0.000 0.194 202 E C 2.388 178.699 176.600 -0.482 0.000 0.988 202 E CA 1.160 57.419 56.400 -0.235 0.000 0.811 202 E CB -0.665 28.970 29.700 -0.108 0.000 0.746 202 E HN 0.521 nan 8.360 nan 0.000 0.466 203 G N 1.299 109.850 108.800 -0.415 0.000 2.402 203 G HA2 -0.203 3.855 3.960 0.164 0.000 0.216 203 G HA3 -0.203 3.855 3.960 0.164 0.000 0.216 203 G C 1.740 176.337 174.900 -0.505 0.000 1.162 203 G CA 0.725 45.518 45.100 -0.511 0.000 0.777 203 G HN 0.250 nan 8.290 nan 0.000 0.539 204 I N 1.289 121.555 120.570 -0.506 0.000 2.252 204 I HA -0.117 4.151 4.170 0.164 0.000 0.245 204 I C 3.293 179.246 176.117 -0.272 0.000 1.102 204 I CA 0.868 61.890 61.300 -0.464 0.000 1.385 204 I CB -0.231 37.351 38.000 -0.697 0.000 1.064 204 I HN 0.234 nan 8.210 nan 0.000 0.414 205 A N 0.990 123.555 122.820 -0.424 0.000 1.883 205 A HA -0.267 4.151 4.320 0.164 0.000 0.217 205 A C 2.454 179.986 177.584 -0.087 0.000 1.186 205 A CA 1.997 53.957 52.037 -0.128 0.000 0.624 205 A CB -0.714 18.176 19.000 -0.184 0.000 0.822 205 A HN 0.364 nan 8.150 nan 0.000 0.444 206 R N -2.098 118.069 120.500 -0.556 0.000 2.081 206 R HA -0.208 4.230 4.340 0.164 0.000 0.235 206 R C 2.079 178.275 176.300 -0.174 0.000 1.131 206 R CA 1.974 57.777 56.100 -0.495 0.000 0.960 206 R CB -0.567 29.338 30.300 -0.659 0.000 0.856 206 R HN 0.595 nan 8.270 nan 0.000 0.436 207 Y N 0.052 120.134 120.300 -0.363 0.000 2.165 207 Y HA -0.233 4.416 4.550 0.165 0.000 0.286 207 Y C 1.392 177.056 175.900 -0.393 0.000 1.155 207 Y CA 1.992 59.827 58.100 -0.443 0.000 1.164 207 Y CB -0.198 37.858 38.460 -0.674 0.000 0.978 207 Y HN 0.052 nan 8.280 nan 0.000 0.513 208 F N -1.032 118.937 119.950 0.032 0.000 2.789 208 F HA 0.051 4.676 4.527 0.162 0.000 0.300 208 F C 2.061 177.874 175.800 0.022 0.000 1.132 208 F CA 1.159 59.167 58.000 0.014 0.000 1.404 208 F CB -0.116 38.914 39.000 0.051 0.000 1.114 208 F HN 0.184 nan 8.300 nan 0.000 0.584 209 T N -4.596 110.101 114.554 0.238 0.000 3.010 209 T HA 0.080 4.528 4.350 0.164 0.000 0.253 209 T C 1.586 176.429 174.700 0.238 0.000 0.939 209 T CA 0.119 62.380 62.100 0.268 0.000 0.910 209 T CB -0.616 68.552 68.868 0.501 0.000 1.226 209 T HN 0.069 nan 8.240 nan 0.000 0.508 210 L N 1.514 122.873 121.223 0.227 0.000 2.046 210 L HA 0.243 4.681 4.340 0.164 0.000 0.208 210 L C 1.805 178.729 176.870 0.090 0.000 1.077 210 L CA 1.753 56.718 54.840 0.207 0.000 0.747 210 L CB -0.420 41.738 42.059 0.165 0.000 0.896 210 L HN 0.004 nan 8.230 nan 0.000 0.432 211 K N -0.537 119.877 120.400 0.024 0.000 2.444 211 K HA 0.213 4.631 4.320 0.164 0.000 0.193 211 K C 1.296 177.895 176.600 -0.001 0.000 1.024 211 K CA 0.820 57.104 56.287 -0.005 0.000 1.077 211 K CB 0.012 32.483 32.500 -0.048 0.000 0.833 211 K HN 0.543 nan 8.250 nan 0.000 0.517 212 S N -0.743 114.965 115.700 0.013 0.000 2.664 212 S HA 0.195 4.763 4.470 0.164 0.000 0.245 212 S C 1.289 175.892 174.600 0.006 0.000 1.019 212 S CA -0.462 57.741 58.200 0.005 0.000 0.996 212 S CB 0.147 63.349 63.200 0.003 0.000 0.878 212 S HN -0.077 nan 8.310 nan 0.000 0.493 213 M N 3.227 122.838 119.600 0.018 0.000 2.394 213 M HA -0.041 4.537 4.480 0.164 0.000 0.264 213 M C 1.821 178.120 176.300 -0.003 0.000 1.073 213 M CA 1.028 56.334 55.300 0.010 0.000 1.111 213 M CB -1.108 31.509 32.600 0.029 0.000 1.401 213 M HN 0.605 nan 8.290 nan 0.000 0.448 214 D N 0.575 120.974 120.400 -0.001 0.000 2.182 214 D HA -0.216 4.522 4.640 0.164 0.000 0.201 214 D C 0.722 177.016 176.300 -0.009 0.000 0.986 214 D CA 1.608 55.606 54.000 -0.004 0.000 0.847 214 D CB -0.629 40.169 40.800 -0.003 0.000 0.942 214 D HN 0.434 nan 8.370 nan 0.000 0.467 215 D N -0.045 120.347 120.400 -0.014 0.000 2.328 215 D HA -0.015 4.723 4.640 0.164 0.000 0.221 215 D C 0.236 176.521 176.300 -0.024 0.000 1.072 215 D CA -0.128 53.862 54.000 -0.017 0.000 0.850 215 D CB -0.008 40.781 40.800 -0.018 0.000 0.922 215 D HN -0.108 nan 8.370 nan 0.000 0.516 216 K N 0.409 120.792 120.400 -0.028 0.000 2.218 216 K HA 0.455 4.873 4.320 0.164 0.000 0.276 216 K C -0.489 176.100 176.600 -0.020 0.000 1.022 216 K CA -0.786 55.477 56.287 -0.040 0.000 0.946 216 K CB 2.350 34.810 32.500 -0.066 0.000 1.000 216 K HN -0.088 nan 8.250 nan 0.000 0.468 217 V N 2.696 122.600 119.914 -0.017 0.000 2.524 217 V HA 0.113 4.331 4.120 0.164 0.000 0.297 217 V C -0.160 175.941 176.094 0.011 0.000 1.035 217 V CA -1.142 61.157 62.300 -0.001 0.000 0.867 217 V CB 1.970 33.788 31.823 -0.008 0.000 1.004 217 V HN 0.442 nan 8.190 nan 0.000 0.426 218 V N 4.912 124.850 119.914 0.040 0.000 2.557 218 V HA 0.357 4.575 4.120 0.164 0.000 0.301 218 V C 1.536 177.629 176.094 -0.001 0.000 1.026 218 V CA 1.910 64.246 62.300 0.058 0.000 1.137 218 V CB 0.314 32.195 31.823 0.095 0.000 0.917 218 V HN 1.356 nan 8.190 nan 0.000 0.484 219 G N 4.074 112.854 108.800 -0.032 0.000 2.175 219 G HA2 -0.303 3.755 3.960 0.164 0.000 0.244 219 G HA3 -0.303 3.755 3.960 0.164 0.000 0.244 219 G C 1.059 175.939 174.900 -0.035 0.000 0.982 219 G CA 0.833 45.905 45.100 -0.047 0.000 0.641 219 G HN 1.174 nan 8.290 nan 0.000 0.527 220 S N 0.896 116.579 115.700 -0.028 0.000 2.481 220 S HA -0.064 4.504 4.470 0.164 0.000 0.231 220 S C 1.781 176.361 174.600 -0.033 0.000 0.996 220 S CA 1.550 59.734 58.200 -0.028 0.000 0.942 220 S CB -0.265 62.920 63.200 -0.025 0.000 0.768 220 S HN 1.086 nan 8.310 nan 0.000 0.520 221 N N 1.116 119.792 118.700 -0.039 0.000 2.280 221 N HA 0.079 4.917 4.740 0.164 0.000 0.192 221 N C 0.135 175.621 175.510 -0.039 0.000 1.109 221 N CA 0.121 53.146 53.050 -0.042 0.000 0.855 221 N CB -0.558 37.898 38.487 -0.051 0.000 0.974 221 N HN 0.489 nan 8.380 nan 0.000 0.482 222 K N -1.028 119.350 120.400 -0.037 0.000 3.209 222 K HA -0.216 4.202 4.320 0.164 0.000 0.289 222 K C -0.736 175.849 176.600 -0.026 0.000 1.191 222 K CA 0.919 57.187 56.287 -0.032 0.000 0.851 222 K CB -1.516 30.969 32.500 -0.026 0.000 1.242 222 K HN 0.448 nan 8.250 nan 0.000 0.480 223 K N 0.307 120.690 120.400 -0.027 0.000 2.306 223 K HA 0.621 5.039 4.320 0.164 0.000 0.236 223 K C -0.057 176.544 176.600 0.002 0.000 1.013 223 K CA -0.930 55.354 56.287 -0.005 0.000 0.857 223 K CB 1.584 34.075 32.500 -0.014 0.000 1.214 223 K HN -0.021 nan 8.250 nan 0.000 0.449 224 I N 2.166 122.767 120.570 0.051 0.000 2.378 224 I HA 0.196 4.464 4.170 0.164 0.000 0.291 224 I C -0.437 175.763 176.117 0.137 0.000 0.992 224 I CA -0.998 60.337 61.300 0.059 0.000 1.154 224 I CB 1.385 39.408 38.000 0.038 0.000 1.315 224 I HN 0.428 nan 8.210 nan 0.000 0.448 225 N N 6.906 125.703 118.700 0.161 0.000 2.530 225 N HA 0.357 5.195 4.740 0.164 0.000 0.273 225 N C -0.643 175.007 175.510 0.232 0.000 1.173 225 N CA -0.083 53.111 53.050 0.241 0.000 0.967 225 N CB 1.541 40.246 38.487 0.364 0.000 1.109 225 N HN 0.344 nan 8.380 nan 0.000 0.453 226 I N 1.991 122.706 120.570 0.242 0.000 2.436 226 I HA 0.273 4.541 4.170 0.164 0.000 0.289 226 I C -0.309 175.908 176.117 0.167 0.000 1.010 226 I CA -0.767 60.648 61.300 0.192 0.000 1.098 226 I CB 1.490 39.600 38.000 0.182 0.000 1.266 226 I HN 0.026 nan 8.210 nan 0.000 0.434 227 V N 8.855 128.817 119.914 0.080 0.000 2.334 227 V HA 0.312 4.530 4.120 0.164 0.000 0.281 227 V C -1.419 174.615 176.094 -0.099 0.000 1.016 227 V CA -0.970 61.309 62.300 -0.035 0.000 0.832 227 V CB 1.791 33.490 31.823 -0.206 0.000 0.999 227 V HN 0.583 nan 8.190 nan 0.000 0.439 228 P HA 0.147 nan 4.420 nan 0.000 0.230 228 P C 0.808 177.853 177.300 -0.426 0.000 1.168 228 P CA 1.241 64.252 63.100 -0.149 0.000 0.793 228 P CB 0.637 32.384 31.700 0.079 0.000 0.851 229 G N 0.865 109.105 108.800 -0.933 0.000 2.698 229 G HA2 -0.279 3.779 3.960 0.164 0.000 0.233 229 G HA3 -0.279 3.779 3.960 0.164 0.000 0.233 229 G C -0.880 173.183 174.900 -1.396 0.000 1.352 229 G CA -0.426 43.806 45.100 -1.447 0.000 0.879 229 G HN 0.285 nan 8.290 nan 0.000 0.567 230 F N 1.780 121.138 119.950 -0.987 0.000 2.502 230 F HA 0.557 5.177 4.527 0.155 0.000 0.371 230 F C 0.408 176.066 175.800 -0.236 0.000 1.083 230 F CA 0.466 58.119 58.000 -0.578 0.000 1.174 230 F CB 0.907 39.681 39.000 -0.377 0.000 1.096 230 F HN 0.682 nan 8.300 nan 0.000 0.545 231 E N 3.419 123.416 120.200 -0.338 0.000 2.274 231 E HA 0.280 4.728 4.350 0.164 0.000 0.269 231 E C -0.364 176.138 176.600 -0.163 0.000 0.891 231 E CA -0.405 55.851 56.400 -0.240 0.000 0.784 231 E CB 1.342 30.777 29.700 -0.441 0.000 1.225 231 E HN 0.500 nan 8.360 nan 0.000 0.412 232 T N 0.790 115.253 114.554 -0.151 0.000 3.200 232 T HA 0.305 4.753 4.350 0.164 0.000 0.284 232 T C -0.396 174.347 174.700 0.073 0.000 1.009 232 T CA -0.165 61.916 62.100 -0.031 0.000 0.907 232 T CB -0.357 68.204 68.868 -0.511 0.000 1.120 232 T HN 0.257 nan 8.240 nan 0.000 0.534 233 Y N 1.323 121.707 120.300 0.140 0.000 2.334 233 Y HA 0.540 5.192 4.550 0.170 0.000 0.336 233 Y C 1.250 177.235 175.900 0.142 0.000 0.960 233 Y CA -1.736 56.452 58.100 0.146 0.000 1.164 233 Y CB 1.313 39.783 38.460 0.016 0.000 1.155 233 Y HN -0.028 nan 8.280 nan 0.000 0.478 234 L N 2.107 123.598 121.223 0.447 0.000 2.083 234 L HA -0.152 4.286 4.340 0.164 0.000 0.209 234 L C 2.268 179.298 176.870 0.267 0.000 1.083 234 L CA 1.607 56.699 54.840 0.420 0.000 0.752 234 L CB -0.483 41.774 42.059 0.330 0.000 0.899 234 L HN 0.945 nan 8.230 nan 0.000 0.433 235 G N -0.469 108.431 108.800 0.165 0.000 2.498 235 G HA2 -0.221 3.838 3.960 0.164 0.000 0.219 235 G HA3 -0.221 3.838 3.960 0.164 0.000 0.219 235 G C 1.366 176.263 174.900 -0.004 0.000 1.119 235 G CA 0.432 45.571 45.100 0.064 0.000 0.766 235 G HN 0.323 nan 8.290 nan 0.000 0.552 236 N N 0.435 119.097 118.700 -0.064 0.000 2.171 236 N HA -0.022 4.816 4.740 0.164 0.000 0.184 236 N C 1.764 177.142 175.510 -0.219 0.000 1.021 236 N CA 0.619 53.545 53.050 -0.207 0.000 0.854 236 N CB -0.424 37.892 38.487 -0.285 0.000 0.994 236 N HN 0.324 nan 8.380 nan 0.000 0.426 237 F N 1.533 121.488 119.950 0.009 0.000 2.134 237 F HA -0.000 4.623 4.527 0.160 0.000 0.299 237 F C 2.371 178.160 175.800 -0.018 0.000 1.097 237 F CA 0.911 58.907 58.000 -0.007 0.000 1.264 237 F CB -0.357 38.650 39.000 0.012 0.000 1.001 237 F HN -0.051 nan 8.300 nan 0.000 0.479 238 R N -0.355 120.247 120.500 0.169 0.000 2.092 238 R HA -0.087 4.351 4.340 0.164 0.000 0.231 238 R C 2.298 178.611 176.300 0.021 0.000 1.119 238 R CA 1.166 57.321 56.100 0.092 0.000 0.970 238 R CB -0.918 29.434 30.300 0.086 0.000 0.864 238 R HN 0.210 nan 8.270 nan 0.000 0.440 239 V N 1.332 121.235 119.914 -0.019 0.000 2.427 239 V HA -0.178 4.041 4.120 0.164 0.000 0.248 239 V C 1.995 178.039 176.094 -0.084 0.000 1.051 239 V CA 1.412 63.678 62.300 -0.057 0.000 1.048 239 V CB -0.192 31.575 31.823 -0.094 0.000 0.666 239 V HN 0.226 nan 8.190 nan 0.000 0.456 240 I N 0.033 120.540 120.570 -0.106 0.000 2.179 240 I HA -0.198 4.070 4.170 0.164 0.000 0.242 240 I C 2.482 178.494 176.117 -0.176 0.000 1.088 240 I CA 1.718 62.939 61.300 -0.132 0.000 1.357 240 I CB -1.283 36.634 38.000 -0.139 0.000 1.051 240 I HN 0.366 nan 8.210 nan 0.000 0.409 241 K N 0.089 120.392 120.400 -0.161 0.000 2.057 241 K HA -0.171 4.248 4.320 0.164 0.000 0.207 241 K C 2.271 178.802 176.600 -0.115 0.000 1.049 241 K CA 0.837 56.982 56.287 -0.238 0.000 0.931 241 K CB -0.159 32.349 32.500 0.013 0.000 0.714 241 K HN 0.193 nan 8.250 nan 0.000 0.440 242 R N 1.267 121.743 120.500 -0.040 0.000 2.075 242 R HA -0.067 4.371 4.340 0.164 0.000 0.232 242 R C 2.133 178.427 176.300 -0.009 0.000 1.126 242 R CA 1.455 57.553 56.100 -0.003 0.000 0.963 242 R CB -0.174 30.129 30.300 0.005 0.000 0.858 242 R HN 0.197 nan 8.270 nan 0.000 0.435 243 M N 0.495 120.080 119.600 -0.025 0.000 2.132 243 M HA -0.139 4.439 4.480 0.164 0.000 0.263 243 M C 2.349 178.650 176.300 0.001 0.000 1.065 243 M CA 1.481 56.785 55.300 0.005 0.000 1.122 243 M CB -0.246 32.365 32.600 0.018 0.000 1.365 243 M HN 0.098 nan 8.290 nan 0.000 0.411 244 L N -0.853 120.334 121.223 -0.061 0.000 2.046 244 L HA -0.192 4.246 4.340 0.164 0.000 0.208 244 L C 2.794 179.684 176.870 0.034 0.000 1.077 244 L CA 1.281 56.083 54.840 -0.062 0.000 0.747 244 L CB -0.810 41.086 42.059 -0.272 0.000 0.896 244 L HN 0.348 nan 8.230 nan 0.000 0.432 245 S N -0.140 115.595 115.700 0.059 0.000 2.368 245 S HA -0.218 4.350 4.470 0.164 0.000 0.225 245 S C 1.844 176.486 174.600 0.071 0.000 1.030 245 S CA 1.494 59.767 58.200 0.121 0.000 0.999 245 S CB -0.149 63.127 63.200 0.126 0.000 0.844 245 S HN 0.440 nan 8.310 nan 0.000 0.459 246 E N 0.144 120.373 120.200 0.049 0.000 2.153 246 E HA -0.061 4.387 4.350 0.164 0.000 0.194 246 E C 1.916 178.539 176.600 0.039 0.000 0.988 246 E CA 1.157 57.582 56.400 0.042 0.000 0.811 246 E CB -0.156 29.568 29.700 0.040 0.000 0.746 246 E HN 0.602 nan 8.360 nan 0.000 0.466 247 M N -0.731 118.891 119.600 0.037 0.000 2.595 247 M HA 0.065 4.643 4.480 0.164 0.000 0.248 247 M C 1.080 177.398 176.300 0.031 0.000 1.119 247 M CA 0.672 55.989 55.300 0.029 0.000 1.079 247 M CB 0.473 33.083 32.600 0.017 0.000 1.472 247 M HN 0.232 nan 8.290 nan 0.000 0.501 248 G N 1.427 110.254 108.800 0.046 0.000 2.176 248 G HA2 -0.200 3.858 3.960 0.164 0.000 0.252 248 G HA3 -0.200 3.858 3.960 0.164 0.000 0.252 248 G C -0.141 174.790 174.900 0.052 0.000 1.024 248 G CA -0.200 44.927 45.100 0.046 0.000 0.755 248 G HN 0.337 nan 8.290 nan 0.000 0.507 249 V N 0.586 120.546 119.914 0.077 0.000 2.407 249 V HA 0.690 4.908 4.120 0.164 0.000 0.278 249 V C 1.286 177.477 176.094 0.162 0.000 1.037 249 V CA -0.075 62.276 62.300 0.085 0.000 0.900 249 V CB 1.548 33.408 31.823 0.061 0.000 0.983 249 V HN 0.728 nan 8.190 nan 0.000 0.459 250 G N 4.560 113.416 108.800 0.094 0.000 2.406 250 G HA2 0.432 4.490 3.960 0.164 0.000 0.251 250 G HA3 0.432 4.490 3.960 0.164 0.000 0.251 250 G C -0.887 174.090 174.900 0.129 0.000 1.271 250 G CA 0.126 45.261 45.100 0.058 0.000 0.859 250 G HN 0.933 nan 8.290 nan 0.000 0.540 251 Y N -0.941 119.366 120.300 0.011 0.000 2.638 251 Y HA 0.756 5.404 4.550 0.163 0.000 0.335 251 Y C -0.576 175.344 175.900 0.034 0.000 1.155 251 Y CA -1.561 56.556 58.100 0.027 0.000 1.046 251 Y CB 1.199 39.684 38.460 0.043 0.000 1.303 251 Y HN 0.395 nan 8.280 nan 0.000 0.460 252 S N 2.630 118.414 115.700 0.141 0.000 2.756 252 S HA 0.405 4.973 4.470 0.164 0.000 0.303 252 S C -1.588 173.171 174.600 0.265 0.000 1.135 252 S CA -0.532 57.724 58.200 0.093 0.000 1.066 252 S CB 1.227 64.462 63.200 0.058 0.000 1.008 252 S HN 0.747 nan 8.310 nan 0.000 0.482 253 L N 5.144 126.544 121.223 0.296 0.000 2.325 253 L HA 0.447 4.885 4.340 0.164 0.000 0.284 253 L C -0.973 176.001 176.870 0.174 0.000 1.089 253 L CA 0.001 54.997 54.840 0.261 0.000 0.836 253 L CB -0.042 42.173 42.059 0.260 0.000 1.184 253 L HN 0.596 nan 8.230 nan 0.000 0.444 254 L N 5.633 126.999 121.223 0.239 0.000 2.270 254 L HA 0.414 4.852 4.340 0.164 0.000 0.286 254 L C 0.373 177.426 176.870 0.305 0.000 1.059 254 L CA -0.535 54.500 54.840 0.324 0.000 0.839 254 L CB 0.513 42.945 42.059 0.621 0.000 1.221 254 L HN 0.867 nan 8.230 nan 0.000 0.431 255 S N 2.555 118.146 115.700 -0.182 0.000 3.581 255 S HA -0.139 4.429 4.470 0.164 0.000 0.763 255 S C -0.807 173.697 174.600 -0.160 0.000 0.502 255 S CA -0.325 57.665 58.200 -0.350 0.000 1.470 255 S CB -0.380 62.929 63.200 0.183 0.000 0.924 255 S HN 0.855 nan 8.310 nan 0.000 1.062 256 D N 5.480 125.670 120.400 -0.350 0.000 2.378 256 D HA 0.435 5.173 4.640 0.164 0.000 0.265 256 D C -1.605 174.407 176.300 -0.479 0.000 1.229 256 D CA -1.685 52.085 54.000 -0.384 0.000 0.914 256 D CB 1.253 41.923 40.800 -0.217 0.000 1.140 256 D HN 0.312 nan 8.370 nan 0.000 0.516 257 P HA 0.061 nan 4.420 nan 0.000 0.261 257 P C 0.770 177.780 177.300 -0.484 0.000 1.352 257 P CA 0.146 62.950 63.100 -0.495 0.000 0.891 257 P CB 0.355 31.780 31.700 -0.457 0.000 1.383 258 E N 0.577 120.452 120.200 -0.543 0.000 2.110 258 E HA -0.206 4.243 4.350 0.164 0.000 0.193 258 E C 1.630 178.146 176.600 -0.141 0.000 0.988 258 E CA 1.197 57.428 56.400 -0.282 0.000 0.804 258 E CB -0.674 28.939 29.700 -0.147 0.000 0.745 258 E HN 0.071 nan 8.360 nan 0.000 0.458 259 E N 0.591 120.710 120.200 -0.136 0.000 2.072 259 E HA -0.101 4.348 4.350 0.164 0.000 0.190 259 E C 2.284 178.834 176.600 -0.083 0.000 0.982 259 E CA 1.147 57.500 56.400 -0.079 0.000 0.803 259 E CB -0.383 29.279 29.700 -0.063 0.000 0.755 259 E HN 0.261 nan 8.360 nan 0.000 0.453 260 V N 1.009 120.852 119.914 -0.118 0.000 2.970 260 V HA -0.100 4.118 4.120 0.164 0.000 0.260 260 V C 1.766 177.780 176.094 -0.134 0.000 1.100 260 V CA 0.828 63.065 62.300 -0.105 0.000 1.122 260 V CB -0.156 31.613 31.823 -0.089 0.000 0.721 260 V HN 0.147 nan 8.190 nan 0.000 0.483 261 L N -0.139 120.966 121.223 -0.196 0.000 2.685 261 L HA 0.352 4.791 4.340 0.164 0.000 0.233 261 L C 0.359 177.194 176.870 -0.059 0.000 1.173 261 L CA 0.314 55.005 54.840 -0.249 0.000 0.961 261 L CB 0.187 41.929 42.059 -0.528 0.000 1.217 261 L HN 0.235 nan 8.230 nan 0.000 0.478 262 D N -0.202 120.192 120.400 -0.011 0.000 3.404 262 D HA 0.018 4.756 4.640 0.164 0.000 0.329 262 D C 0.341 176.665 176.300 0.040 0.000 1.421 262 D CA -0.090 53.945 54.000 0.058 0.000 0.742 262 D CB 0.453 41.300 40.800 0.078 0.000 1.290 262 D HN 0.048 nan 8.370 nan 0.000 0.600 263 T N -0.486 114.087 114.554 0.031 0.000 2.898 263 T HA 0.537 4.985 4.350 0.164 0.000 0.301 263 T C -1.843 172.884 174.700 0.046 0.000 1.049 263 T CA -1.036 61.081 62.100 0.027 0.000 1.095 263 T CB 1.145 70.024 68.868 0.018 0.000 0.976 263 T HN 0.010 nan 8.240 nan 0.000 0.539 264 P HA 0.379 nan 4.420 nan 0.000 0.274 264 P C -0.949 176.381 177.300 0.050 0.000 1.231 264 P CA -0.699 62.425 63.100 0.039 0.000 0.790 264 P CB 0.585 32.301 31.700 0.027 0.000 0.951 265 A N 2.206 125.057 122.820 0.051 0.000 2.650 265 A HA 0.293 4.711 4.320 0.164 0.000 0.320 265 A C 0.446 178.056 177.584 0.045 0.000 1.466 265 A CA -0.339 51.732 52.037 0.056 0.000 1.099 265 A CB -0.732 18.302 19.000 0.056 0.000 1.136 265 A HN 0.595 nan 8.150 nan 0.000 0.532 266 D N 1.007 121.434 120.400 0.045 0.000 2.540 266 D HA 0.275 5.013 4.640 0.164 0.000 0.229 266 D C 0.858 177.181 176.300 0.038 0.000 1.250 266 D CA 0.556 54.577 54.000 0.036 0.000 0.817 266 D CB -0.143 40.675 40.800 0.029 0.000 1.060 266 D HN 1.029 nan 8.370 nan 0.000 0.508 267 G N 0.894 109.722 108.800 0.048 0.000 2.179 267 G HA2 -0.217 3.842 3.960 0.164 0.000 0.220 267 G HA3 -0.217 3.842 3.960 0.164 0.000 0.220 267 G C -0.068 174.869 174.900 0.062 0.000 0.990 267 G CA 0.166 45.295 45.100 0.049 0.000 0.646 267 G HN 0.710 nan 8.290 nan 0.000 0.517 268 Q N -0.720 119.123 119.800 0.072 0.000 2.372 268 Q HA 0.736 5.174 4.340 0.164 0.000 0.273 268 Q C -1.056 175.025 176.000 0.136 0.000 1.078 268 Q CA -1.372 54.485 55.803 0.090 0.000 0.806 268 Q CB 2.141 30.910 28.738 0.052 0.000 1.332 268 Q HN 0.536 nan 8.270 nan 0.000 0.435 269 F N 2.305 122.260 119.950 0.009 0.000 2.420 269 F HA 0.469 5.097 4.527 0.167 0.000 0.352 269 F C -0.800 174.996 175.800 -0.006 0.000 1.108 269 F CA -0.743 57.257 58.000 0.000 0.000 1.162 269 F CB 1.068 40.067 39.000 -0.001 0.000 1.118 269 F HN 0.564 nan 8.300 nan 0.000 0.510 270 R N 7.509 127.655 120.500 -0.589 0.000 2.275 270 R HA 0.239 4.677 4.340 0.164 0.000 0.326 270 R C 1.071 176.791 176.300 -0.967 0.000 0.973 270 R CA -0.463 55.274 56.100 -0.606 0.000 0.854 270 R CB 1.403 31.560 30.300 -0.239 0.000 1.156 270 R HN 0.949 nan 8.270 nan 0.000 0.487 271 M N 2.278 121.167 119.600 -1.186 0.000 2.159 271 M HA -0.055 4.523 4.480 0.164 0.000 0.263 271 M C -0.607 175.281 176.300 -0.686 0.000 1.063 271 M CA 1.793 56.498 55.300 -0.992 0.000 1.110 271 M CB 0.398 32.462 32.600 -0.894 0.000 1.374 271 M HN 0.406 nan 8.290 nan 0.000 0.411 272 Y N -0.404 119.786 120.300 -0.182 0.000 2.485 272 Y HA 0.724 5.374 4.550 0.165 0.000 0.345 272 Y C -0.463 175.373 175.900 -0.105 0.000 0.998 272 Y CA -1.318 56.722 58.100 -0.100 0.000 1.059 272 Y CB 1.556 39.986 38.460 -0.050 0.000 1.234 272 Y HN 0.040 nan 8.280 nan 0.000 0.461 273 A N 1.213 124.074 122.820 0.069 0.000 2.555 273 A HA 0.709 5.127 4.320 0.164 0.000 0.297 273 A C 0.113 177.687 177.584 -0.017 0.000 1.060 273 A CA -0.191 51.850 52.037 0.008 0.000 0.710 273 A CB 0.764 19.746 19.000 -0.029 0.000 1.282 273 A HN 1.696 nan 8.150 nan 0.000 0.399 274 G N 1.011 109.796 108.800 -0.025 0.000 2.552 274 G HA2 0.494 4.553 3.960 0.164 0.000 0.265 274 G HA3 0.494 4.553 3.960 0.164 0.000 0.265 274 G C 1.453 176.313 174.900 -0.066 0.000 1.234 274 G CA 1.201 46.271 45.100 -0.050 0.000 0.944 274 G HN 3.237 nan 8.290 nan 0.000 0.568 275 G N -3.479 105.258 108.800 -0.106 0.000 2.662 275 G HA2 0.395 4.454 3.960 0.164 0.000 0.686 275 G HA3 0.395 4.454 3.960 0.164 0.000 0.686 275 G C -0.106 174.708 174.900 -0.145 0.000 1.271 275 G CA 0.366 45.376 45.100 -0.150 0.000 0.816 275 G HN 2.036 nan 8.290 nan 0.000 0.608 276 T N 1.758 116.175 114.554 -0.228 0.000 2.888 276 T HA 0.491 4.939 4.350 0.164 0.000 0.301 276 T C 1.347 176.016 174.700 -0.052 0.000 1.001 276 T CA 0.881 62.880 62.100 -0.168 0.000 1.147 276 T CB 0.605 69.284 68.868 -0.315 0.000 0.931 276 T HN 1.431 nan 8.240 nan 0.000 0.541 277 T N 1.688 116.209 114.554 -0.056 0.000 2.882 277 T HA 0.212 4.660 4.350 0.164 0.000 0.287 277 T C 1.316 175.935 174.700 -0.135 0.000 1.014 277 T CA -0.801 61.254 62.100 -0.075 0.000 1.049 277 T CB 0.979 69.796 68.868 -0.085 0.000 1.001 277 T HN 0.588 nan 8.240 nan 0.000 0.525 278 Q N 0.373 120.043 119.800 -0.217 0.000 2.124 278 Q HA -0.149 4.289 4.340 0.164 0.000 0.202 278 Q C 2.108 177.878 176.000 -0.382 0.000 0.977 278 Q CA 1.795 57.309 55.803 -0.482 0.000 0.850 278 Q CB -0.176 28.333 28.738 -0.381 0.000 0.901 278 Q HN 0.797 nan 8.270 nan 0.000 0.429 279 E N 1.052 121.129 120.200 -0.204 0.000 2.110 279 E HA -0.189 4.259 4.350 0.164 0.000 0.193 279 E C 1.653 178.172 176.600 -0.136 0.000 0.988 279 E CA 1.162 57.476 56.400 -0.143 0.000 0.804 279 E CB -0.023 29.619 29.700 -0.096 0.000 0.745 279 E HN 0.372 nan 8.360 nan 0.000 0.458 280 E N -0.242 119.884 120.200 -0.123 0.000 2.106 280 E HA -0.181 4.267 4.350 0.164 0.000 0.192 280 E C 1.890 178.444 176.600 -0.077 0.000 0.984 280 E CA 1.095 57.444 56.400 -0.084 0.000 0.806 280 E CB -0.078 29.593 29.700 -0.048 0.000 0.750 280 E HN 0.149 nan 8.360 nan 0.000 0.458 281 M N 1.179 120.704 119.600 -0.126 0.000 2.132 281 M HA -0.112 4.466 4.480 0.164 0.000 0.263 281 M C 1.603 177.847 176.300 -0.092 0.000 1.065 281 M CA 1.700 56.952 55.300 -0.080 0.000 1.122 281 M CB 0.139 32.649 32.600 -0.149 0.000 1.365 281 M HN -0.186 nan 8.290 nan 0.000 0.411 282 K N -0.643 119.663 120.400 -0.157 0.000 2.147 282 K HA -0.166 4.253 4.320 0.164 0.000 0.205 282 K C 1.358 177.891 176.600 -0.112 0.000 1.049 282 K CA 1.549 57.799 56.287 -0.061 0.000 0.936 282 K CB -0.261 32.212 32.500 -0.044 0.000 0.722 282 K HN 0.360 nan 8.250 nan 0.000 0.446 283 D N -0.048 120.272 120.400 -0.133 0.000 2.349 283 D HA 0.082 4.820 4.640 0.164 0.000 0.215 283 D C 1.470 177.643 176.300 -0.212 0.000 1.016 283 D CA 0.284 54.196 54.000 -0.146 0.000 0.870 283 D CB 0.246 40.982 40.800 -0.106 0.000 0.917 283 D HN 0.158 nan 8.370 nan 0.000 0.524 284 A N 1.056 123.702 122.820 -0.291 0.000 1.978 284 A HA -0.080 4.338 4.320 0.164 0.000 0.220 284 A C -0.322 176.869 177.584 -0.656 0.000 1.170 284 A CA 0.915 52.709 52.037 -0.404 0.000 0.636 284 A CB -1.331 17.418 19.000 -0.418 0.000 0.810 284 A HN 0.253 nan 8.150 nan 0.000 0.448 285 P HA -0.060 nan 4.420 nan 0.000 0.226 285 P C 0.697 177.913 177.300 -0.139 0.000 1.153 285 P CA 0.755 63.392 63.100 -0.772 0.000 0.777 285 P CB -0.066 31.190 31.700 -0.740 0.000 0.794 286 N N -0.544 118.075 118.700 -0.135 0.000 2.521 286 N HA 0.041 4.879 4.740 0.164 0.000 0.188 286 N C 0.781 176.275 175.510 -0.026 0.000 1.146 286 N CA 0.159 53.178 53.050 -0.051 0.000 0.893 286 N CB -0.352 38.091 38.487 -0.073 0.000 0.975 286 N HN 0.085 nan 8.380 nan 0.000 0.451 287 A N 0.287 123.102 122.820 -0.009 0.000 2.386 287 A HA 0.172 4.590 4.320 0.164 0.000 0.246 287 A C 1.578 179.049 177.584 -0.188 0.000 1.089 287 A CA -0.305 51.696 52.037 -0.061 0.000 0.790 287 A CB 0.256 19.253 19.000 -0.005 0.000 1.042 287 A HN 0.175 nan 8.150 nan 0.000 0.497 288 L N 0.206 121.327 121.223 -0.171 0.000 2.042 288 L HA -0.104 4.334 4.340 0.164 0.000 0.210 288 L C 1.118 177.776 176.870 -0.353 0.000 1.076 288 L CA 1.542 56.265 54.840 -0.195 0.000 0.749 288 L CB -0.375 41.617 42.059 -0.111 0.000 0.893 288 L HN 0.833 nan 8.230 nan 0.000 0.432 289 N N -2.676 115.769 118.700 -0.425 0.000 3.356 289 N HA 0.192 5.030 4.740 0.164 0.000 0.246 289 N C -1.485 173.964 175.510 -0.101 0.000 1.480 289 N CA -0.383 52.434 53.050 -0.388 0.000 0.877 289 N CB 1.491 39.893 38.487 -0.142 0.000 1.431 289 N HN -0.328 nan 8.380 nan 0.000 0.500 290 T N 0.397 115.033 114.554 0.136 0.000 2.841 290 T HA 0.536 4.985 4.350 0.164 0.000 0.285 290 T C -0.848 173.942 174.700 0.150 0.000 0.991 290 T CA -0.362 61.900 62.100 0.269 0.000 0.966 290 T CB 1.417 70.586 68.868 0.501 0.000 0.962 290 T HN 0.187 nan 8.240 nan 0.000 0.438 291 V N 4.808 124.798 119.914 0.125 0.000 2.398 291 V HA 0.465 4.683 4.120 0.164 0.000 0.286 291 V C -0.244 175.896 176.094 0.077 0.000 1.026 291 V CA -0.861 61.493 62.300 0.090 0.000 0.868 291 V CB 1.434 33.321 31.823 0.107 0.000 0.982 291 V HN 0.719 nan 8.190 nan 0.000 0.443 292 L N 5.704 126.938 121.223 0.019 0.000 2.257 292 L HA 0.396 4.834 4.340 0.164 0.000 0.290 292 L C 1.057 177.879 176.870 -0.079 0.000 1.044 292 L CA -0.343 54.465 54.840 -0.054 0.000 0.810 292 L CB 1.196 43.200 42.059 -0.091 0.000 1.193 292 L HN 0.607 nan 8.230 nan 0.000 0.425 293 L N 2.310 123.464 121.223 -0.115 0.000 2.217 293 L HA -0.044 4.394 4.340 0.164 0.000 0.211 293 L C 0.733 177.500 176.870 -0.172 0.000 1.107 293 L CA 1.150 55.904 54.840 -0.143 0.000 0.783 293 L CB -0.132 41.820 42.059 -0.178 0.000 0.919 293 L HN 0.715 nan 8.230 nan 0.000 0.442 294 Q N -0.003 119.643 119.800 -0.256 0.000 3.122 294 Q HA 0.183 4.621 4.340 0.164 0.000 0.282 294 Q C -1.806 173.986 176.000 -0.347 0.000 0.947 294 Q CA -1.389 54.229 55.803 -0.309 0.000 0.812 294 Q CB 1.385 29.822 28.738 -0.503 0.000 1.333 294 Q HN 0.068 nan 8.270 nan 0.000 0.430 295 P HA -0.147 nan 4.420 nan 0.000 0.223 295 P C 0.397 177.533 177.300 -0.273 0.000 1.151 295 P CA 0.922 63.865 63.100 -0.262 0.000 0.787 295 P CB 0.151 31.664 31.700 -0.312 0.000 0.788 296 W N 0.734 122.001 121.300 -0.054 0.000 2.825 296 W HA -0.039 4.718 4.660 0.162 0.000 0.243 296 W C 2.005 178.546 176.519 0.035 0.000 1.293 296 W CA 0.648 58.010 57.345 0.028 0.000 1.403 296 W CB -0.679 28.850 29.460 0.115 0.000 1.134 296 W HN 0.287 nan 8.180 nan 0.000 0.666 297 H N -2.331 116.797 119.070 0.096 0.000 2.649 297 H HA 0.359 5.015 4.556 0.166 0.000 0.258 297 H C 0.354 175.705 175.328 0.037 0.000 1.165 297 H CA -0.159 55.915 56.048 0.042 0.000 1.006 297 H CB -0.478 29.276 29.762 -0.014 0.000 1.743 297 H HN 0.181 nan 8.280 nan 0.000 0.609 298 L N 1.144 122.362 121.223 -0.009 0.000 3.288 298 L HA 0.232 4.670 4.340 0.164 0.000 0.293 298 L C 1.107 177.981 176.870 0.008 0.000 1.294 298 L CA -0.029 54.818 54.840 0.011 0.000 1.006 298 L CB 0.681 42.677 42.059 -0.106 0.000 1.407 298 L HN 0.168 nan 8.230 nan 0.000 0.592 299 E N 0.608 120.818 120.200 0.017 0.000 2.152 299 E HA -0.195 4.253 4.350 0.164 0.000 0.192 299 E C 1.759 178.374 176.600 0.025 0.000 0.983 299 E CA 0.778 57.172 56.400 -0.011 0.000 0.818 299 E CB 0.335 30.030 29.700 -0.008 0.000 0.758 299 E HN 0.365 nan 8.360 nan 0.000 0.467 300 K N 0.764 121.202 120.400 0.062 0.000 2.062 300 K HA -0.090 4.328 4.320 0.164 0.000 0.205 300 K C 2.141 178.792 176.600 0.085 0.000 1.051 300 K CA 1.373 57.699 56.287 0.065 0.000 0.941 300 K CB 0.046 32.587 32.500 0.068 0.000 0.719 300 K HN -0.049 nan 8.250 nan 0.000 0.440 301 T N 1.374 116.003 114.554 0.125 0.000 2.684 301 T HA -0.186 4.262 4.350 0.164 0.000 0.267 301 T C 1.718 176.468 174.700 0.082 0.000 1.036 301 T CA 1.714 63.915 62.100 0.169 0.000 1.148 301 T CB -0.134 68.893 68.868 0.264 0.000 0.863 301 T HN 0.326 nan 8.240 nan 0.000 0.436 302 K N 0.959 121.378 120.400 0.030 0.000 2.032 302 K HA -0.146 4.272 4.320 0.164 0.000 0.209 302 K C 2.252 178.834 176.600 -0.031 0.000 1.048 302 K CA 1.381 57.657 56.287 -0.017 0.000 0.927 302 K CB -0.045 32.426 32.500 -0.048 0.000 0.712 302 K HN 0.239 nan 8.250 nan 0.000 0.441 303 K N -0.342 120.055 120.400 -0.006 0.000 2.057 303 K HA -0.177 4.242 4.320 0.164 0.000 0.207 303 K C 2.063 178.646 176.600 -0.028 0.000 1.049 303 K CA 1.565 57.846 56.287 -0.011 0.000 0.931 303 K CB -0.277 32.232 32.500 0.015 0.000 0.714 303 K HN 0.159 nan 8.250 nan 0.000 0.440 304 F N 1.521 121.378 119.950 -0.155 0.000 2.113 304 F HA -0.186 4.440 4.527 0.165 0.000 0.297 304 F C 1.987 177.541 175.800 -0.410 0.000 1.103 304 F CA 1.027 58.877 58.000 -0.249 0.000 1.248 304 F CB -0.250 38.592 39.000 -0.263 0.000 0.999 304 F HN -0.296 nan 8.300 nan 0.000 0.475 305 V N 0.477 120.086 119.914 -0.509 0.000 2.407 305 V HA -0.274 3.944 4.120 0.164 0.000 0.248 305 V C 2.250 178.129 176.094 -0.357 0.000 1.055 305 V CA 2.290 64.186 62.300 -0.674 0.000 1.049 305 V CB -0.636 30.988 31.823 -0.332 0.000 0.662 305 V HN 0.369 nan 8.190 nan 0.000 0.455 306 E N 0.072 120.151 120.200 -0.201 0.000 2.076 306 E HA -0.077 4.371 4.350 0.164 0.000 0.190 306 E C 2.317 178.835 176.600 -0.137 0.000 0.979 306 E CA 1.120 57.459 56.400 -0.101 0.000 0.807 306 E CB -0.345 29.320 29.700 -0.057 0.000 0.761 306 E HN 0.633 nan 8.360 nan 0.000 0.454 307 G N 0.237 108.922 108.800 -0.192 0.000 2.408 307 G HA2 -0.147 3.911 3.960 0.164 0.000 0.215 307 G HA3 -0.147 3.911 3.960 0.164 0.000 0.215 307 G C 1.527 176.300 174.900 -0.212 0.000 1.156 307 G CA 0.982 45.987 45.100 -0.157 0.000 0.793 307 G HN 0.147 nan 8.290 nan 0.000 0.535 308 T N -0.732 113.571 114.554 -0.418 0.000 3.044 308 T HA 0.033 4.481 4.350 0.164 0.000 0.237 308 T C 1.823 176.422 174.700 -0.168 0.000 1.001 308 T CA 0.222 62.084 62.100 -0.396 0.000 1.160 308 T CB -0.038 68.348 68.868 -0.802 0.000 0.889 308 T HN 0.342 nan 8.240 nan 0.000 0.442 309 W N 2.020 123.019 121.300 -0.503 0.000 2.905 309 W HA 0.322 5.080 4.660 0.163 0.000 0.251 309 W C 0.487 176.806 176.519 -0.334 0.000 1.305 309 W CA -0.272 56.789 57.345 -0.474 0.000 1.465 309 W CB -0.391 28.603 29.460 -0.777 0.000 1.122 309 W HN 0.166 nan 8.180 nan 0.000 0.659 310 K N -0.466 119.923 120.400 -0.019 0.000 3.192 310 K HA -0.250 4.168 4.320 0.164 0.000 0.278 310 K C -0.454 176.273 176.600 0.211 0.000 1.164 310 K CA 0.813 57.137 56.287 0.061 0.000 0.816 310 K CB -2.712 29.826 32.500 0.063 0.000 1.256 310 K HN 0.443 nan 8.250 nan 0.000 0.497 311 H N 0.679 119.808 119.070 0.098 0.000 2.502 311 H HA 0.216 4.870 4.556 0.163 0.000 0.327 311 H C 0.202 175.555 175.328 0.043 0.000 1.099 311 H CA -0.629 55.475 56.048 0.094 0.000 1.323 311 H CB 0.856 30.719 29.762 0.169 0.000 1.450 311 H HN 0.059 nan 8.280 nan 0.000 0.502 312 E N 2.941 123.229 120.200 0.148 0.000 1.964 312 E HA 0.095 4.543 4.350 0.164 0.000 0.264 312 E C -0.455 176.175 176.600 0.048 0.000 1.120 312 E CA -0.417 56.023 56.400 0.066 0.000 1.061 312 E CB 0.465 30.183 29.700 0.031 0.000 1.190 312 E HN 0.271 nan 8.360 nan 0.000 0.459 313 V N 4.608 124.556 119.914 0.058 0.000 2.557 313 V HA -0.014 4.204 4.120 0.164 0.000 0.301 313 V C -1.576 174.516 176.094 -0.003 0.000 1.026 313 V CA -0.934 61.388 62.300 0.038 0.000 1.137 313 V CB -0.215 31.625 31.823 0.028 0.000 0.917 313 V HN 0.479 nan 8.190 nan 0.000 0.484 314 P HA 0.176 nan 4.420 nan 0.000 0.274 314 P C -0.574 176.696 177.300 -0.051 0.000 1.237 314 P CA -0.609 62.472 63.100 -0.033 0.000 0.793 314 P CB 0.595 32.272 31.700 -0.038 0.000 0.977 315 K N 2.521 122.885 120.400 -0.060 0.000 2.150 315 K HA 0.308 4.726 4.320 0.164 0.000 0.261 315 K C -0.872 175.668 176.600 -0.100 0.000 1.127 315 K CA -0.194 56.041 56.287 -0.087 0.000 0.989 315 K CB -0.720 31.736 32.500 -0.075 0.000 1.475 315 K HN 0.432 nan 8.250 nan 0.000 0.391 316 L N 3.278 124.434 121.223 -0.112 0.000 2.365 316 L HA 0.365 4.803 4.340 0.164 0.000 0.273 316 L C -0.237 176.505 176.870 -0.214 0.000 1.000 316 L CA -1.131 53.633 54.840 -0.127 0.000 0.819 316 L CB 2.040 44.083 42.059 -0.027 0.000 1.284 316 L HN 0.566 nan 8.230 nan 0.000 0.418 317 N N 1.591 120.051 118.700 -0.401 0.000 2.424 317 N HA 0.295 5.133 4.740 0.164 0.000 0.257 317 N C -0.014 175.317 175.510 -0.299 0.000 1.250 317 N CA -0.559 52.149 53.050 -0.571 0.000 0.946 317 N CB 0.997 38.503 38.487 -1.635 0.000 1.175 317 N HN 0.481 nan 8.380 nan 0.000 0.477 318 I N 2.023 122.501 120.570 -0.154 0.000 2.919 318 I HA -0.053 4.215 4.170 0.164 0.000 0.303 318 I C -1.807 174.326 176.117 0.027 0.000 1.221 318 I CA -0.990 60.293 61.300 -0.029 0.000 1.444 318 I CB 0.653 38.702 38.000 0.082 0.000 1.331 318 I HN 0.469 nan 8.210 nan 0.000 0.572 319 P HA 0.188 nan 4.420 nan 0.000 0.238 319 P C -1.040 176.181 177.300 -0.133 0.000 1.794 319 P CA 0.142 63.144 63.100 -0.164 0.000 1.088 319 P CB 0.018 31.361 31.700 -0.595 0.000 1.923 320 M N 1.389 121.012 119.600 0.039 0.000 2.395 320 M HA 0.578 5.156 4.480 0.164 0.000 0.307 320 M C 0.601 176.803 176.300 -0.164 0.000 1.091 320 M CA 0.065 55.312 55.300 -0.089 0.000 0.919 320 M CB 2.637 35.220 32.600 -0.029 0.000 1.662 320 M HN 0.400 nan 8.290 nan 0.000 0.440 321 G N 1.199 109.749 108.800 -0.418 0.000 2.725 321 G HA2 -0.224 3.834 3.960 0.164 0.000 0.220 321 G HA3 -0.224 3.834 3.960 0.164 0.000 0.220 321 G C -0.315 174.467 174.900 -0.196 0.000 1.357 321 G CA -0.079 44.728 45.100 -0.488 0.000 0.866 321 G HN 0.732 nan 8.290 nan 0.000 0.548 322 L N -0.575 120.634 121.223 -0.024 0.000 2.034 322 L HA 0.233 4.671 4.340 0.164 0.000 0.203 322 L C 2.457 179.404 176.870 0.128 0.000 1.074 322 L CA 2.765 57.678 54.840 0.121 0.000 0.748 322 L CB -0.744 41.395 42.059 0.133 0.000 0.905 322 L HN 0.617 nan 8.230 nan 0.000 0.439 323 D N -0.844 119.586 120.400 0.051 0.000 2.123 323 D HA -0.215 4.523 4.640 0.164 0.000 0.196 323 D C 1.958 178.420 176.300 0.270 0.000 0.992 323 D CA 1.352 55.420 54.000 0.114 0.000 0.833 323 D CB -0.305 40.527 40.800 0.053 0.000 0.954 323 D HN 0.447 nan 8.370 nan 0.000 0.455 324 W N 1.049 122.366 121.300 0.028 0.000 2.584 324 W HA 0.056 4.813 4.660 0.162 0.000 0.264 324 W C 2.259 178.772 176.519 -0.010 0.000 1.264 324 W CA 0.410 57.763 57.345 0.014 0.000 1.306 324 W CB -1.247 28.211 29.460 -0.004 0.000 1.110 324 W HN -0.057 nan 8.180 nan 0.000 0.606 325 T N 0.151 114.779 114.554 0.122 0.000 2.770 325 T HA -0.151 4.297 4.350 0.164 0.000 0.263 325 T C 1.243 175.981 174.700 0.064 0.000 1.039 325 T CA 1.714 63.773 62.100 -0.068 0.000 1.142 325 T CB -0.318 68.269 68.868 -0.468 0.000 0.868 325 T HN -0.080 nan 8.240 nan 0.000 0.435 326 D N 1.306 121.806 120.400 0.167 0.000 2.116 326 D HA -0.097 4.641 4.640 0.164 0.000 0.193 326 D C 2.203 178.599 176.300 0.159 0.000 0.998 326 D CA 1.159 55.281 54.000 0.204 0.000 0.836 326 D CB -0.257 40.663 40.800 0.199 0.000 0.951 326 D HN 0.513 nan 8.370 nan 0.000 0.449 327 E N -0.583 119.724 120.200 0.178 0.000 2.110 327 E HA -0.144 4.304 4.350 0.164 0.000 0.193 327 E C 1.906 178.571 176.600 0.108 0.000 0.988 327 E CA 0.318 56.798 56.400 0.132 0.000 0.804 327 E CB -0.182 29.605 29.700 0.145 0.000 0.745 327 E HN 0.257 nan 8.360 nan 0.000 0.458 328 F N 1.424 121.370 119.950 -0.006 0.000 2.075 328 F HA -0.204 4.422 4.527 0.165 0.000 0.297 328 F C 1.872 177.650 175.800 -0.037 0.000 1.113 328 F CA 1.413 59.388 58.000 -0.041 0.000 1.218 328 F CB -0.167 38.793 39.000 -0.067 0.000 0.984 328 F HN -0.090 nan 8.300 nan 0.000 0.472 329 L N -0.331 120.909 121.223 0.028 0.000 2.046 329 L HA -0.261 4.177 4.340 0.164 0.000 0.208 329 L C 2.587 179.401 176.870 -0.094 0.000 1.077 329 L CA 1.549 56.350 54.840 -0.066 0.000 0.747 329 L CB -0.648 41.455 42.059 0.073 0.000 0.896 329 L HN 0.268 nan 8.230 nan 0.000 0.432 330 M N -0.560 119.021 119.600 -0.032 0.000 2.159 330 M HA -0.204 4.374 4.480 0.164 0.000 0.263 330 M C 2.320 178.575 176.300 -0.076 0.000 1.063 330 M CA 1.505 56.787 55.300 -0.031 0.000 1.110 330 M CB -0.222 32.382 32.600 0.007 0.000 1.374 330 M HN 0.028 nan 8.290 nan 0.000 0.411 331 K N 0.556 120.887 120.400 -0.115 0.000 2.062 331 K HA -0.040 4.379 4.320 0.164 0.000 0.205 331 K C 1.545 178.033 176.600 -0.187 0.000 1.051 331 K CA 1.173 57.381 56.287 -0.132 0.000 0.941 331 K CB -0.513 31.911 32.500 -0.127 0.000 0.719 331 K HN 0.105 nan 8.250 nan 0.000 0.440 332 V N 0.640 120.367 119.914 -0.312 0.000 2.332 332 V HA -0.247 3.971 4.120 0.164 0.000 0.248 332 V C 2.395 178.391 176.094 -0.163 0.000 1.055 332 V CA 2.124 64.244 62.300 -0.300 0.000 1.038 332 V CB -0.748 30.788 31.823 -0.479 0.000 0.651 332 V HN 0.520 nan 8.190 nan 0.000 0.450 333 S N -0.721 114.901 115.700 -0.130 0.000 2.370 333 S HA -0.291 4.278 4.470 0.164 0.000 0.226 333 S C 2.112 176.676 174.600 -0.060 0.000 1.033 333 S CA 2.162 60.318 58.200 -0.073 0.000 1.011 333 S CB -0.297 62.874 63.200 -0.048 0.000 0.852 333 S HN 0.743 nan 8.310 nan 0.000 0.457 334 E N 0.064 120.225 120.200 -0.065 0.000 2.077 334 E HA -0.119 4.329 4.350 0.164 0.000 0.193 334 E C 2.054 178.623 176.600 -0.053 0.000 0.989 334 E CA 1.439 57.809 56.400 -0.050 0.000 0.800 334 E CB -0.234 29.437 29.700 -0.048 0.000 0.746 334 E HN 0.661 nan 8.360 nan 0.000 0.452 335 I N 0.936 121.464 120.570 -0.070 0.000 2.315 335 I HA -0.216 4.052 4.170 0.164 0.000 0.248 335 I C 2.601 178.684 176.117 -0.057 0.000 1.117 335 I CA 1.327 62.587 61.300 -0.067 0.000 1.404 335 I CB -0.151 37.798 38.000 -0.084 0.000 1.071 335 I HN 0.176 nan 8.210 nan 0.000 0.419 336 S N -0.028 115.638 115.700 -0.057 0.000 2.478 336 S HA 0.146 4.714 4.470 0.164 0.000 0.222 336 S C 1.812 176.393 174.600 -0.030 0.000 1.008 336 S CA 0.483 58.659 58.200 -0.041 0.000 0.928 336 S CB 0.352 63.530 63.200 -0.037 0.000 0.781 336 S HN 0.561 nan 8.310 nan 0.000 0.518 337 G N 0.773 109.554 108.800 -0.032 0.000 2.168 337 G HA2 -0.221 3.837 3.960 0.164 0.000 0.263 337 G HA3 -0.221 3.837 3.960 0.164 0.000 0.263 337 G C -0.119 174.771 174.900 -0.018 0.000 0.977 337 G CA 0.264 45.350 45.100 -0.023 0.000 0.659 337 G HN 0.547 nan 8.290 nan 0.000 0.533 338 Q N 0.743 120.532 119.800 -0.019 0.000 2.256 338 Q HA 0.427 4.865 4.340 0.164 0.000 0.254 338 Q C -2.164 173.829 176.000 -0.012 0.000 0.916 338 Q CA -1.709 54.087 55.803 -0.011 0.000 0.932 338 Q CB 1.895 30.629 28.738 -0.007 0.000 1.207 338 Q HN 0.313 nan 8.270 nan 0.000 0.426 339 P HA 0.221 nan 4.420 nan 0.000 0.274 339 P C -0.072 177.231 177.300 0.005 0.000 1.237 339 P CA -0.322 62.777 63.100 -0.001 0.000 0.793 339 P CB 0.791 32.492 31.700 0.003 0.000 0.977 340 I N 3.509 124.085 120.570 0.010 0.000 2.533 340 I HA 0.104 4.372 4.170 0.164 0.000 0.284 340 I C -1.363 174.770 176.117 0.027 0.000 1.109 340 I CA -1.452 59.863 61.300 0.025 0.000 1.412 340 I CB 0.104 38.129 38.000 0.040 0.000 1.396 340 I HN 0.253 nan 8.210 nan 0.000 0.543 341 P HA 0.194 nan 4.420 nan 0.000 0.278 341 P C 0.292 177.608 177.300 0.027 0.000 1.266 341 P CA -0.487 62.628 63.100 0.026 0.000 0.807 341 P CB 1.134 32.850 31.700 0.027 0.000 1.094 342 A N 1.554 124.386 122.820 0.019 0.000 1.917 342 A HA -0.211 4.207 4.320 0.164 0.000 0.219 342 A C 2.292 179.884 177.584 0.014 0.000 1.182 342 A CA 2.612 54.657 52.037 0.012 0.000 0.633 342 A CB -1.806 17.199 19.000 0.008 0.000 0.819 342 A HN 0.701 nan 8.150 nan 0.000 0.448 343 S N 0.096 115.808 115.700 0.021 0.000 2.359 343 S HA -0.143 4.425 4.470 0.164 0.000 0.224 343 S C 1.876 176.498 174.600 0.036 0.000 1.035 343 S CA 1.627 59.842 58.200 0.025 0.000 1.018 343 S CB -0.773 62.445 63.200 0.030 0.000 0.876 343 S HN 0.453 nan 8.310 nan 0.000 0.448 344 L N 1.129 122.388 121.223 0.061 0.000 2.109 344 L HA -0.046 4.392 4.340 0.164 0.000 0.207 344 L C 2.960 179.869 176.870 0.066 0.000 1.086 344 L CA 1.435 56.343 54.840 0.113 0.000 0.760 344 L CB -1.132 41.023 42.059 0.161 0.000 0.910 344 L HN 0.378 nan 8.230 nan 0.000 0.437 345 T N -0.533 114.037 114.554 0.028 0.000 2.746 345 T HA -0.245 4.203 4.350 0.164 0.000 0.267 345 T C 1.909 176.565 174.700 -0.072 0.000 1.039 345 T CA 1.493 63.580 62.100 -0.022 0.000 1.142 345 T CB -0.074 68.791 68.868 -0.005 0.000 0.866 345 T HN 0.241 nan 8.240 nan 0.000 0.444 346 K N 1.000 121.373 120.400 -0.045 0.000 2.057 346 K HA -0.107 4.311 4.320 0.164 0.000 0.206 346 K C 2.376 178.923 176.600 -0.088 0.000 1.050 346 K CA 1.399 57.653 56.287 -0.054 0.000 0.935 346 K CB -0.074 32.410 32.500 -0.026 0.000 0.715 346 K HN 0.379 nan 8.250 nan 0.000 0.439 347 E N 0.696 120.850 120.200 -0.076 0.000 2.085 347 E HA -0.261 4.187 4.350 0.164 0.000 0.194 347 E C 2.178 178.602 176.600 -0.292 0.000 0.994 347 E CA 1.095 57.443 56.400 -0.088 0.000 0.801 347 E CB -0.028 29.696 29.700 0.039 0.000 0.743 347 E HN 0.241 nan 8.360 nan 0.000 0.453 348 R N -0.234 119.919 120.500 -0.579 0.000 2.083 348 R HA -0.130 4.308 4.340 0.164 0.000 0.237 348 R C 2.340 178.387 176.300 -0.422 0.000 1.137 348 R CA 1.722 57.241 56.100 -0.968 0.000 0.951 348 R CB -0.593 29.203 30.300 -0.840 0.000 0.851 348 R HN 0.258 nan 8.270 nan 0.000 0.434 349 G N 0.147 108.797 108.800 -0.250 0.000 2.443 349 G HA2 -0.208 3.850 3.960 0.164 0.000 0.219 349 G HA3 -0.208 3.850 3.960 0.164 0.000 0.219 349 G C 1.375 176.213 174.900 -0.103 0.000 1.131 349 G CA 0.277 45.293 45.100 -0.140 0.000 0.775 349 G HN 0.329 nan 8.290 nan 0.000 0.547 350 R N -0.681 119.756 120.500 -0.105 0.000 2.075 350 R HA 0.040 4.479 4.340 0.164 0.000 0.232 350 R C 2.412 178.681 176.300 -0.052 0.000 1.126 350 R CA 1.002 57.064 56.100 -0.063 0.000 0.963 350 R CB -0.486 29.785 30.300 -0.048 0.000 0.858 350 R HN 0.369 nan 8.270 nan 0.000 0.435 351 L N 0.828 122.002 121.223 -0.081 0.000 2.012 351 L HA -0.157 4.281 4.340 0.164 0.000 0.210 351 L C 2.017 178.880 176.870 -0.012 0.000 1.073 351 L CA 1.676 56.496 54.840 -0.032 0.000 0.748 351 L CB -0.396 41.640 42.059 -0.038 0.000 0.891 351 L HN -0.088 nan 8.230 nan 0.000 0.431 352 V N 0.010 119.893 119.914 -0.051 0.000 2.343 352 V HA -0.320 3.898 4.120 0.164 0.000 0.247 352 V C 2.346 178.432 176.094 -0.014 0.000 1.051 352 V CA 1.995 64.278 62.300 -0.029 0.000 1.036 352 V CB -0.886 30.906 31.823 -0.051 0.000 0.654 352 V HN 0.597 nan 8.190 nan 0.000 0.451 353 D N -0.516 119.872 120.400 -0.021 0.000 2.104 353 D HA -0.265 4.473 4.640 0.164 0.000 0.194 353 D C 2.190 178.499 176.300 0.015 0.000 0.994 353 D CA 1.832 55.829 54.000 -0.005 0.000 0.830 353 D CB -0.144 40.649 40.800 -0.011 0.000 0.959 353 D HN 0.358 nan 8.370 nan 0.000 0.452 354 M N -0.644 118.967 119.600 0.018 0.000 2.159 354 M HA -0.152 4.426 4.480 0.164 0.000 0.263 354 M C 1.949 178.277 176.300 0.048 0.000 1.063 354 M CA 1.210 56.531 55.300 0.033 0.000 1.110 354 M CB -0.013 32.610 32.600 0.038 0.000 1.374 354 M HN 0.146 nan 8.290 nan 0.000 0.411 355 M N -0.487 119.141 119.600 0.045 0.000 2.086 355 M HA -0.187 4.391 4.480 0.164 0.000 0.261 355 M C 2.252 178.596 176.300 0.075 0.000 1.067 355 M CA 2.336 57.661 55.300 0.041 0.000 1.116 355 M CB -0.781 31.832 32.600 0.021 0.000 1.348 355 M HN 0.495 nan 8.290 nan 0.000 0.407 356 T N -1.801 112.788 114.554 0.059 0.000 2.788 356 T HA -0.167 4.281 4.350 0.164 0.000 0.268 356 T C 1.349 176.171 174.700 0.203 0.000 1.044 356 T CA 1.692 63.858 62.100 0.109 0.000 1.139 356 T CB -0.540 68.348 68.868 0.033 0.000 0.867 356 T HN 0.252 nan 8.240 nan 0.000 0.454 357 D N 1.304 121.768 120.400 0.106 0.000 2.144 357 D HA 0.015 4.753 4.640 0.164 0.000 0.199 357 D C 1.937 178.279 176.300 0.071 0.000 0.984 357 D CA 1.180 55.227 54.000 0.078 0.000 0.834 357 D CB -0.235 40.597 40.800 0.053 0.000 0.955 357 D HN 0.465 nan 8.370 nan 0.000 0.465 358 S N -0.564 115.186 115.700 0.084 0.000 2.559 358 S HA -0.023 4.545 4.470 0.164 0.000 0.226 358 S C 1.501 176.136 174.600 0.059 0.000 1.000 358 S CA -0.499 57.754 58.200 0.089 0.000 0.948 358 S CB 0.114 63.362 63.200 0.080 0.000 0.870 358 S HN 0.461 nan 8.310 nan 0.000 0.497 359 H N 1.520 120.596 119.070 0.009 0.000 2.457 359 H HA -0.062 4.592 4.556 0.163 0.000 0.294 359 H C 1.980 177.302 175.328 -0.010 0.000 1.064 359 H CA 1.794 57.835 56.048 -0.012 0.000 1.330 359 H CB -0.933 28.804 29.762 -0.041 0.000 1.395 359 H HN 0.455 nan 8.280 nan 0.000 0.541 360 T N -2.319 111.842 114.554 -0.655 0.000 2.867 360 T HA -0.155 4.294 4.350 0.164 0.000 0.268 360 T C 1.785 176.263 174.700 -0.370 0.000 1.057 360 T CA 0.963 62.713 62.100 -0.583 0.000 1.136 360 T CB -0.747 67.668 68.868 -0.755 0.000 0.874 360 T HN 0.536 nan 8.240 nan 0.000 0.466 361 W N 0.638 121.888 121.300 -0.084 0.000 2.576 361 W HA 0.434 5.192 4.660 0.164 0.000 0.270 361 W C 2.069 178.600 176.519 0.019 0.000 1.255 361 W CA -0.538 56.793 57.345 -0.023 0.000 1.314 361 W CB -0.043 29.397 29.460 -0.034 0.000 1.101 361 W HN 0.182 nan 8.180 nan 0.000 0.595 362 L N -0.750 120.602 121.223 0.214 0.000 2.240 362 L HA -0.056 4.382 4.340 0.164 0.000 0.211 362 L C 1.477 178.429 176.870 0.137 0.000 1.106 362 L CA 0.450 55.382 54.840 0.154 0.000 0.793 362 L CB -0.842 41.254 42.059 0.062 0.000 0.927 362 L HN -0.015 nan 8.230 nan 0.000 0.446 363 H N 0.837 119.936 119.070 0.048 0.000 3.070 363 H HA -0.015 4.639 4.556 0.164 0.000 0.313 363 H C 1.133 176.517 175.328 0.093 0.000 0.997 363 H CA 1.156 57.236 56.048 0.054 0.000 1.438 363 H CB 0.685 30.484 29.762 0.061 0.000 1.455 363 H HN 0.362 nan 8.280 nan 0.000 0.575 364 G N 4.856 113.444 108.800 -0.353 0.000 2.205 364 G HA2 -0.258 3.800 3.960 0.164 0.000 0.261 364 G HA3 -0.258 3.800 3.960 0.164 0.000 0.261 364 G C 0.295 175.176 174.900 -0.032 0.000 0.980 364 G CA 0.194 45.190 45.100 -0.172 0.000 0.632 364 G HN 0.555 nan 8.290 nan 0.000 0.533 365 K N 0.886 121.298 120.400 0.020 0.000 2.448 365 K HA 0.300 4.718 4.320 0.164 0.000 0.278 365 K C 0.759 177.290 176.600 -0.115 0.000 1.009 365 K CA 0.127 56.396 56.287 -0.029 0.000 0.995 365 K CB 0.581 33.111 32.500 0.049 0.000 0.917 365 K HN 0.444 nan 8.250 nan 0.000 0.481 366 R N 2.145 122.476 120.500 -0.282 0.000 2.346 366 R HA 0.413 4.852 4.340 0.164 0.000 0.311 366 R C -0.604 175.429 176.300 -0.445 0.000 0.983 366 R CA -0.426 55.542 56.100 -0.220 0.000 0.880 366 R CB 0.705 30.919 30.300 -0.143 0.000 1.100 366 R HN 0.342 nan 8.270 nan 0.000 0.453 367 F N 0.769 120.750 119.950 0.051 0.000 2.551 367 F HA 0.576 5.200 4.527 0.163 0.000 0.316 367 F C 0.162 176.032 175.800 0.117 0.000 1.089 367 F CA -0.926 57.136 58.000 0.104 0.000 0.915 367 F CB 2.046 41.098 39.000 0.086 0.000 1.186 367 F HN 0.486 nan 8.300 nan 0.000 0.456 368 A N 3.256 126.301 122.820 0.376 0.000 2.303 368 A HA 0.944 5.363 4.320 0.164 0.000 0.317 368 A C -1.218 176.636 177.584 0.449 0.000 1.149 368 A CA -0.495 51.802 52.037 0.433 0.000 0.822 368 A CB 0.886 20.164 19.000 0.463 0.000 1.131 368 A HN 0.840 nan 8.150 nan 0.000 0.493 369 L N -1.533 119.974 121.223 0.473 0.000 2.582 369 L HA 0.993 5.432 4.340 0.164 0.000 0.257 369 L C -1.033 176.186 176.870 0.581 0.000 0.974 369 L CA -0.687 54.387 54.840 0.390 0.000 0.851 369 L CB 1.004 43.178 42.059 0.190 0.000 1.424 369 L HN 1.037 nan 8.230 nan 0.000 0.412 370 W N 0.304 121.768 121.300 0.273 0.000 3.025 370 W HA 0.992 5.746 4.660 0.157 0.000 0.343 370 W C -0.245 176.489 176.519 0.358 0.000 1.246 370 W CA -0.320 57.193 57.345 0.280 0.000 1.178 370 W CB 0.911 30.508 29.460 0.228 0.000 1.463 370 W HN 1.162 nan 8.180 nan 0.000 0.578 371 G N 0.293 109.419 108.800 0.544 0.000 2.350 371 G HA2 0.195 4.253 3.960 0.164 0.000 0.276 371 G HA3 0.195 4.253 3.960 0.164 0.000 0.276 371 G C -1.704 173.391 174.900 0.325 0.000 1.313 371 G CA -0.851 44.499 45.100 0.417 0.000 0.903 371 G HN 0.601 nan 8.290 nan 0.000 0.490 372 D N 0.972 121.537 120.400 0.275 0.000 2.344 372 D HA 0.410 5.149 4.640 0.164 0.000 0.244 372 D C -1.148 175.205 176.300 0.089 0.000 1.134 372 D CA -1.254 52.822 54.000 0.128 0.000 0.930 372 D CB 1.439 42.305 40.800 0.110 0.000 1.175 372 D HN -0.019 nan 8.370 nan 0.000 0.437 373 P HA -0.124 nan 4.420 nan 0.000 0.215 373 P C 0.720 178.105 177.300 0.141 0.000 1.157 373 P CA 1.274 64.080 63.100 -0.489 0.000 0.868 373 P CB 0.339 31.459 31.700 -0.967 0.000 0.788 374 D N -1.286 119.267 120.400 0.256 0.000 2.097 374 D HA -0.163 4.575 4.640 0.164 0.000 0.197 374 D C 1.898 178.402 176.300 0.341 0.000 0.984 374 D CA 0.956 55.163 54.000 0.346 0.000 0.826 374 D CB -0.695 40.257 40.800 0.253 0.000 0.973 374 D HN 0.117 nan 8.370 nan 0.000 0.460 375 F N 2.372 122.436 119.950 0.189 0.000 2.095 375 F HA -0.236 4.392 4.527 0.169 0.000 0.298 375 F C 2.239 178.155 175.800 0.195 0.000 1.104 375 F CA 1.150 59.250 58.000 0.167 0.000 1.232 375 F CB -0.459 38.631 39.000 0.150 0.000 0.987 375 F HN -0.262 nan 8.300 nan 0.000 0.475 376 V N 2.259 122.279 119.914 0.176 0.000 2.343 376 V HA -0.368 3.850 4.120 0.164 0.000 0.247 376 V C 2.613 178.797 176.094 0.150 0.000 1.051 376 V CA 2.247 64.617 62.300 0.116 0.000 1.036 376 V CB -0.808 31.244 31.823 0.382 0.000 0.654 376 V HN 0.633 nan 8.190 nan 0.000 0.451 377 M N 0.211 120.018 119.600 0.344 0.000 2.229 377 M HA 0.019 4.597 4.480 0.164 0.000 0.264 377 M C 2.054 178.498 176.300 0.240 0.000 1.063 377 M CA 2.400 57.876 55.300 0.294 0.000 1.114 377 M CB -1.135 31.684 32.600 0.364 0.000 1.387 377 M HN 0.204 nan 8.290 nan 0.000 0.420 378 G N 1.458 110.406 108.800 0.247 0.000 2.402 378 G HA2 -0.163 3.895 3.960 0.164 0.000 0.216 378 G HA3 -0.163 3.895 3.960 0.164 0.000 0.216 378 G C 1.416 176.240 174.900 -0.126 0.000 1.162 378 G CA 0.859 46.031 45.100 0.120 0.000 0.777 378 G HN 0.416 nan 8.290 nan 0.000 0.539 379 L N 0.831 121.911 121.223 -0.238 0.000 2.017 379 L HA -0.001 4.437 4.340 0.164 0.000 0.208 379 L C 2.939 179.706 176.870 -0.173 0.000 1.073 379 L CA 1.387 56.062 54.840 -0.275 0.000 0.745 379 L CB -0.607 41.160 42.059 -0.486 0.000 0.894 379 L HN 0.084 nan 8.230 nan 0.000 0.432 380 V N -0.160 119.676 119.914 -0.129 0.000 2.287 380 V HA -0.316 3.902 4.120 0.164 0.000 0.248 380 V C 2.678 178.675 176.094 -0.160 0.000 1.053 380 V CA 2.066 64.305 62.300 -0.102 0.000 1.027 380 V CB -0.665 31.133 31.823 -0.042 0.000 0.646 380 V HN 0.494 nan 8.190 nan 0.000 0.447 381 K N 0.107 120.354 120.400 -0.256 0.000 2.032 381 K HA -0.214 4.204 4.320 0.164 0.000 0.209 381 K C 1.940 178.373 176.600 -0.279 0.000 1.048 381 K CA 1.919 57.944 56.287 -0.435 0.000 0.927 381 K CB -0.662 31.185 32.500 -1.090 0.000 0.712 381 K HN 0.335 nan 8.250 nan 0.000 0.441 382 F N 0.872 120.594 119.950 -0.380 0.000 2.186 382 F HA 0.017 4.642 4.527 0.163 0.000 0.299 382 F C 1.579 177.227 175.800 -0.252 0.000 1.090 382 F CA 1.091 58.915 58.000 -0.294 0.000 1.307 382 F CB -0.330 38.517 39.000 -0.255 0.000 1.019 382 F HN -0.001 nan 8.300 nan 0.000 0.489 383 L N -0.420 120.622 121.223 -0.301 0.000 2.042 383 L HA -0.269 4.169 4.340 0.164 0.000 0.210 383 L C 2.519 179.202 176.870 -0.310 0.000 1.076 383 L CA 1.304 55.923 54.840 -0.369 0.000 0.749 383 L CB -0.805 41.089 42.059 -0.275 0.000 0.893 383 L HN 0.178 nan 8.230 nan 0.000 0.432 384 L N -0.608 120.482 121.223 -0.222 0.000 2.083 384 L HA -0.216 4.222 4.340 0.164 0.000 0.209 384 L C 2.461 179.172 176.870 -0.264 0.000 1.083 384 L CA 1.279 56.009 54.840 -0.183 0.000 0.752 384 L CB -0.528 41.477 42.059 -0.090 0.000 0.899 384 L HN 0.296 nan 8.230 nan 0.000 0.433 385 E N 0.152 120.205 120.200 -0.246 0.000 2.204 385 E HA -0.186 4.262 4.350 0.164 0.000 0.195 385 E C 2.092 178.514 176.600 -0.297 0.000 0.990 385 E CA 0.908 57.181 56.400 -0.212 0.000 0.821 385 E CB -0.051 29.592 29.700 -0.094 0.000 0.750 385 E HN 0.505 nan 8.360 nan 0.000 0.477 386 L N -0.534 120.432 121.223 -0.428 0.000 2.558 386 L HA 0.137 4.575 4.340 0.164 0.000 0.225 386 L C 1.287 177.939 176.870 -0.363 0.000 1.128 386 L CA 0.289 54.884 54.840 -0.409 0.000 0.868 386 L CB -0.001 41.737 42.059 -0.535 0.000 1.006 386 L HN 0.257 nan 8.230 nan 0.000 0.454 387 G N -0.265 108.177 108.800 -0.596 0.000 2.160 387 G HA2 -0.254 3.804 3.960 0.164 0.000 0.244 387 G HA3 -0.254 3.804 3.960 0.164 0.000 0.244 387 G C 0.149 174.657 174.900 -0.654 0.000 1.022 387 G CA 0.076 44.556 45.100 -1.033 0.000 0.741 387 G HN 0.350 nan 8.290 nan 0.000 0.508 388 C N -0.079 119.009 119.300 -0.354 0.000 2.335 388 C HA 0.686 5.244 4.460 0.164 0.000 0.363 388 C C 0.575 175.598 174.990 0.055 0.000 1.198 388 C CA -0.765 58.225 59.018 -0.047 0.000 2.279 388 C CB 1.439 29.222 27.740 0.071 0.000 2.334 388 C HN 0.530 nan 8.230 nan 0.000 0.559 389 E N 2.331 122.620 120.200 0.148 0.000 2.073 389 E HA 0.216 4.665 4.350 0.164 0.000 0.269 389 E C -2.443 174.246 176.600 0.148 0.000 0.917 389 E CA -1.342 55.134 56.400 0.126 0.000 0.757 389 E CB 1.144 30.886 29.700 0.069 0.000 1.111 389 E HN 0.418 nan 8.360 nan 0.000 0.410 390 P HA -0.013 nan 4.420 nan 0.000 0.241 390 P C 1.022 178.365 177.300 0.071 0.000 1.780 390 P CA -0.063 63.111 63.100 0.123 0.000 1.111 390 P CB 0.376 32.115 31.700 0.065 0.000 1.852 391 V N -0.169 119.743 119.914 -0.003 0.000 2.358 391 V HA -0.039 4.179 4.120 0.164 0.000 0.246 391 V C 0.589 176.594 176.094 -0.148 0.000 1.047 391 V CA 1.321 63.521 62.300 -0.167 0.000 1.035 391 V CB -1.313 30.321 31.823 -0.315 0.000 0.658 391 V HN 0.350 nan 8.190 nan 0.000 0.452 392 H N 0.637 119.841 119.070 0.223 0.000 2.638 392 H HA 0.642 5.296 4.556 0.163 0.000 0.317 392 H C -0.892 174.633 175.328 0.328 0.000 1.006 392 H CA -1.021 55.210 56.048 0.306 0.000 1.222 392 H CB 1.325 31.228 29.762 0.235 0.000 1.419 392 H HN 0.356 nan 8.280 nan 0.000 0.489 393 I N 4.638 125.492 120.570 0.474 0.000 2.390 393 I HA 0.179 4.447 4.170 0.164 0.000 0.283 393 I C -0.464 175.949 176.117 0.493 0.000 1.016 393 I CA -0.370 61.169 61.300 0.398 0.000 1.151 393 I CB 1.700 39.853 38.000 0.255 0.000 1.293 393 I HN 0.231 nan 8.210 nan 0.000 0.458 394 L N 6.873 128.387 121.223 0.486 0.000 2.333 394 L HA 0.611 5.049 4.340 0.164 0.000 0.280 394 L C -1.191 175.921 176.870 0.404 0.000 1.004 394 L CA 0.003 55.106 54.840 0.439 0.000 0.820 394 L CB 1.300 43.556 42.059 0.329 0.000 1.247 394 L HN 0.657 nan 8.230 nan 0.000 0.416 395 C N 3.742 123.234 119.300 0.321 0.000 2.534 395 C HA 0.255 4.813 4.460 0.164 0.000 0.309 395 C C 1.287 176.368 174.990 0.151 0.000 1.072 395 C CA -0.452 58.654 59.018 0.146 0.000 1.441 395 C CB 0.217 27.807 27.740 -0.249 0.000 1.906 395 C HN 1.040 nan 8.230 nan 0.000 0.429 396 H N 2.946 122.059 119.070 0.072 0.000 2.387 396 H HA -0.117 4.537 4.556 0.163 0.000 0.299 396 H C 1.629 176.961 175.328 0.006 0.000 1.090 396 H CA 1.878 57.955 56.048 0.049 0.000 1.332 396 H CB 0.457 30.251 29.762 0.054 0.000 1.386 396 H HN 0.741 nan 8.280 nan 0.000 0.516 397 N N 0.594 119.321 118.700 0.044 0.000 2.313 397 N HA 0.072 4.910 4.740 0.164 0.000 0.207 397 N C 0.467 175.889 175.510 -0.146 0.000 1.141 397 N CA 0.364 53.363 53.050 -0.086 0.000 0.830 397 N CB -0.135 38.260 38.487 -0.153 0.000 1.008 397 N HN 0.219 nan 8.380 nan 0.000 0.481 398 G N 0.432 109.131 108.800 -0.168 0.000 2.616 398 G HA2 0.375 4.433 3.960 0.164 0.000 0.268 398 G HA3 0.375 4.433 3.960 0.164 0.000 0.268 398 G C -0.161 174.732 174.900 -0.013 0.000 1.213 398 G CA -0.524 44.405 45.100 -0.285 0.000 0.926 398 G HN 0.576 nan 8.290 nan 0.000 0.523 399 N N -2.150 116.610 118.700 0.099 0.000 2.697 399 N HA 0.242 5.080 4.740 0.164 0.000 0.272 399 N C 0.745 176.380 175.510 0.209 0.000 1.381 399 N CA -0.949 52.195 53.050 0.157 0.000 0.797 399 N CB 1.876 40.460 38.487 0.162 0.000 1.523 399 N HN 0.442 nan 8.380 nan 0.000 0.518 400 K N 0.051 120.546 120.400 0.158 0.000 2.063 400 K HA -0.045 4.373 4.320 0.164 0.000 0.208 400 K C 1.366 178.036 176.600 0.116 0.000 1.048 400 K CA 1.247 57.608 56.287 0.123 0.000 0.928 400 K CB -0.037 32.522 32.500 0.099 0.000 0.713 400 K HN 0.526 nan 8.250 nan 0.000 0.442 401 R N -0.748 119.855 120.500 0.172 0.000 2.075 401 R HA -0.159 4.279 4.340 0.164 0.000 0.232 401 R C 2.091 178.430 176.300 0.065 0.000 1.126 401 R CA 1.700 57.928 56.100 0.214 0.000 0.963 401 R CB -0.457 30.078 30.300 0.393 0.000 0.858 401 R HN 0.406 nan 8.270 nan 0.000 0.435 402 W N 2.439 123.515 121.300 -0.375 0.000 2.355 402 W HA -0.190 4.570 4.660 0.167 0.000 0.309 402 W C 2.133 178.379 176.519 -0.454 0.000 1.206 402 W CA 1.417 58.179 57.345 -0.971 0.000 1.284 402 W CB -0.094 28.835 29.460 -0.885 0.000 1.145 402 W HN -0.097 nan 8.180 nan 0.000 0.502 403 K N 0.738 121.032 120.400 -0.176 0.000 2.063 403 K HA -0.239 4.179 4.320 0.164 0.000 0.208 403 K C 2.064 178.479 176.600 -0.307 0.000 1.048 403 K CA 1.944 58.056 56.287 -0.292 0.000 0.928 403 K CB -0.317 32.180 32.500 -0.004 0.000 0.713 403 K HN 0.104 nan 8.250 nan 0.000 0.442 404 K N -0.082 120.214 120.400 -0.174 0.000 2.097 404 K HA -0.116 4.303 4.320 0.164 0.000 0.206 404 K C 2.167 178.675 176.600 -0.154 0.000 1.049 404 K CA 1.204 57.421 56.287 -0.117 0.000 0.933 404 K CB -0.134 32.351 32.500 -0.025 0.000 0.717 404 K HN 0.244 nan 8.250 nan 0.000 0.442 405 A N 0.973 123.662 122.820 -0.218 0.000 1.898 405 A HA -0.106 4.312 4.320 0.164 0.000 0.216 405 A C 2.343 179.762 177.584 -0.274 0.000 1.181 405 A CA 1.305 53.235 52.037 -0.178 0.000 0.620 405 A CB -0.522 18.410 19.000 -0.113 0.000 0.819 405 A HN 0.066 nan 8.150 nan 0.000 0.442 406 V N 0.518 120.105 119.914 -0.546 0.000 2.358 406 V HA -0.205 4.013 4.120 0.164 0.000 0.246 406 V C 2.075 178.009 176.094 -0.267 0.000 1.047 406 V CA 2.127 64.138 62.300 -0.481 0.000 1.035 406 V CB -0.789 30.538 31.823 -0.827 0.000 0.658 406 V HN 0.459 nan 8.190 nan 0.000 0.452 407 D N 0.472 120.722 120.400 -0.250 0.000 2.178 407 D HA -0.109 4.629 4.640 0.164 0.000 0.201 407 D C 2.199 178.442 176.300 -0.094 0.000 0.980 407 D CA 1.548 55.458 54.000 -0.150 0.000 0.842 407 D CB -0.149 40.571 40.800 -0.134 0.000 0.948 407 D HN 0.449 nan 8.370 nan 0.000 0.472 408 A N 0.497 123.267 122.820 -0.083 0.000 1.930 408 A HA -0.103 4.315 4.320 0.164 0.000 0.217 408 A C 2.343 179.921 177.584 -0.009 0.000 1.175 408 A CA 0.682 52.699 52.037 -0.033 0.000 0.627 408 A CB -0.563 18.430 19.000 -0.011 0.000 0.815 408 A HN 0.183 nan 8.150 nan 0.000 0.443 409 I N -0.312 120.254 120.570 -0.008 0.000 2.226 409 I HA -0.256 4.013 4.170 0.164 0.000 0.245 409 I C 2.288 178.400 176.117 -0.007 0.000 1.100 409 I CA 1.079 62.394 61.300 0.026 0.000 1.374 409 I CB -0.292 37.742 38.000 0.058 0.000 1.057 409 I HN 0.278 nan 8.210 nan 0.000 0.413 410 L N 0.402 121.603 121.223 -0.037 0.000 2.131 410 L HA -0.177 4.261 4.340 0.164 0.000 0.210 410 L C 2.743 179.601 176.870 -0.021 0.000 1.092 410 L CA 1.176 55.997 54.840 -0.033 0.000 0.759 410 L CB -0.672 41.355 42.059 -0.052 0.000 0.903 410 L HN 0.237 nan 8.230 nan 0.000 0.435 411 A N -0.103 122.703 122.820 -0.023 0.000 2.067 411 A HA -0.027 4.391 4.320 0.164 0.000 0.219 411 A C 2.371 179.953 177.584 -0.004 0.000 1.158 411 A CA 1.351 53.379 52.037 -0.016 0.000 0.661 411 A CB -0.471 18.519 19.000 -0.017 0.000 0.801 411 A HN 0.375 nan 8.150 nan 0.000 0.452 412 A N -1.219 121.606 122.820 0.008 0.000 2.206 412 A HA 0.364 4.782 4.320 0.164 0.000 0.211 412 A C 1.149 178.747 177.584 0.024 0.000 1.158 412 A CA 0.953 53.002 52.037 0.020 0.000 0.761 412 A CB -0.256 18.765 19.000 0.036 0.000 0.801 412 A HN 0.468 nan 8.150 nan 0.000 0.473 413 S N -1.035 114.680 115.700 0.024 0.000 2.526 413 S HA 0.539 5.107 4.470 0.164 0.000 0.293 413 S C -2.189 172.413 174.600 0.003 0.000 1.092 413 S CA -1.411 56.819 58.200 0.049 0.000 0.980 413 S CB 1.663 64.924 63.200 0.101 0.000 1.048 413 S HN 0.035 nan 8.310 nan 0.000 0.483 414 P HA -0.041 nan 4.420 nan 0.000 0.222 414 P C 0.477 177.596 177.300 -0.302 0.000 1.147 414 P CA 1.029 64.011 63.100 -0.197 0.000 0.790 414 P CB -0.153 31.378 31.700 -0.282 0.000 0.780 415 Y N -0.092 120.184 120.300 -0.041 0.000 2.578 415 Y HA 0.154 4.802 4.550 0.164 0.000 0.297 415 Y C 2.552 178.421 175.900 -0.051 0.000 1.176 415 Y CA 0.905 58.971 58.100 -0.055 0.000 1.315 415 Y CB -0.880 37.540 38.460 -0.067 0.000 1.031 415 Y HN -0.001 nan 8.280 nan 0.000 0.524 416 G N -0.579 108.245 108.800 0.039 0.000 3.042 416 G HA2 -0.062 3.996 3.960 0.164 0.000 0.212 416 G HA3 -0.062 3.996 3.960 0.164 0.000 0.212 416 G C 1.517 176.402 174.900 -0.025 0.000 1.166 416 G CA -0.112 44.991 45.100 0.005 0.000 0.767 416 G HN 0.276 nan 8.290 nan 0.000 0.546 417 K N 0.552 120.925 120.400 -0.046 0.000 2.211 417 K HA -0.001 4.417 4.320 0.164 0.000 0.203 417 K C 0.904 177.478 176.600 -0.043 0.000 1.050 417 K CA 0.644 56.900 56.287 -0.052 0.000 0.945 417 K CB 0.121 32.577 32.500 -0.073 0.000 0.732 417 K HN 0.137 nan 8.250 nan 0.000 0.451 418 N N 0.074 118.752 118.700 -0.038 0.000 2.275 418 N HA 0.111 4.949 4.740 0.164 0.000 0.236 418 N C -0.787 174.704 175.510 -0.032 0.000 1.154 418 N CA 0.015 53.045 53.050 -0.034 0.000 0.866 418 N CB 1.192 39.655 38.487 -0.039 0.000 1.093 418 N HN 0.036 nan 8.380 nan 0.000 0.515 419 A N 0.209 123.013 122.820 -0.026 0.000 2.303 419 A HA 0.734 5.152 4.320 0.164 0.000 0.317 419 A C 0.040 177.611 177.584 -0.022 0.000 1.149 419 A CA -0.058 51.970 52.037 -0.014 0.000 0.822 419 A CB 0.853 19.848 19.000 -0.008 0.000 1.131 419 A HN 0.025 nan 8.150 nan 0.000 0.493 420 T N 1.069 115.625 114.554 0.003 0.000 2.893 420 T HA 0.514 4.962 4.350 0.164 0.000 0.293 420 T C -0.733 173.857 174.700 -0.182 0.000 1.027 420 T CA -0.374 61.642 62.100 -0.140 0.000 0.988 420 T CB 1.519 70.274 68.868 -0.189 0.000 1.043 420 T HN 0.470 nan 8.240 nan 0.000 0.461 421 V N 3.379 123.117 119.914 -0.292 0.000 2.427 421 V HA 0.473 4.691 4.120 0.164 0.000 0.286 421 V C -1.217 174.687 176.094 -0.317 0.000 1.034 421 V CA -0.750 61.452 62.300 -0.164 0.000 0.893 421 V CB 0.505 32.251 31.823 -0.130 0.000 0.982 421 V HN 0.811 nan 8.190 nan 0.000 0.452 422 Y N 5.124 125.540 120.300 0.194 0.000 2.341 422 Y HA 0.720 5.368 4.550 0.164 0.000 0.338 422 Y C 0.241 176.260 175.900 0.199 0.000 0.965 422 Y CA -0.836 57.368 58.100 0.173 0.000 1.108 422 Y CB 1.683 40.241 38.460 0.163 0.000 1.180 422 Y HN 0.622 nan 8.280 nan 0.000 0.458 423 I N -1.100 119.636 120.570 0.276 0.000 2.646 423 I HA 0.889 5.157 4.170 0.164 0.000 0.299 423 I C 0.812 177.024 176.117 0.159 0.000 1.036 423 I CA -0.926 60.509 61.300 0.224 0.000 1.074 423 I CB 2.149 40.281 38.000 0.219 0.000 1.258 423 I HN 0.735 nan 8.210 nan 0.000 0.430 424 G N 2.908 111.812 108.800 0.172 0.000 2.184 424 G HA2 -0.205 3.853 3.960 0.164 0.000 0.264 424 G HA3 -0.205 3.853 3.960 0.164 0.000 0.264 424 G C 0.127 175.033 174.900 0.010 0.000 0.975 424 G CA 0.011 45.216 45.100 0.174 0.000 0.642 424 G HN 0.626 nan 8.290 nan 0.000 0.536 425 K N 1.138 121.470 120.400 -0.114 0.000 2.118 425 K HA 0.592 5.010 4.320 0.164 0.000 0.254 425 K C 0.175 176.545 176.600 -0.383 0.000 0.961 425 K CA -0.093 56.019 56.287 -0.292 0.000 0.876 425 K CB 1.728 33.994 32.500 -0.390 0.000 1.077 425 K HN 0.487 nan 8.250 nan 0.000 0.440 426 D N -0.632 119.666 120.400 -0.170 0.000 2.616 426 D HA 0.214 4.952 4.640 0.164 0.000 0.260 426 D C 1.024 177.193 176.300 -0.219 0.000 1.158 426 D CA -0.707 53.075 54.000 -0.363 0.000 1.085 426 D CB 0.304 40.886 40.800 -0.363 0.000 1.222 426 D HN 0.256 nan 8.370 nan 0.000 0.626 427 L N -0.909 120.176 121.223 -0.230 0.000 2.376 427 L HA 0.060 4.498 4.340 0.164 0.000 0.219 427 L C 1.825 178.617 176.870 -0.130 0.000 1.133 427 L CA 0.249 54.927 54.840 -0.270 0.000 0.816 427 L CB -0.217 41.649 42.059 -0.322 0.000 0.933 427 L HN 0.457 nan 8.230 nan 0.000 0.449 428 W N 0.820 121.950 121.300 -0.283 0.000 2.418 428 W HA -0.138 4.620 4.660 0.163 0.000 0.292 428 W C 2.298 178.642 176.519 -0.292 0.000 1.213 428 W CA 1.380 58.568 57.345 -0.262 0.000 1.283 428 W CB -0.101 29.182 29.460 -0.294 0.000 1.119 428 W HN 0.296 nan 8.180 nan 0.000 0.542 429 H N 0.017 118.925 119.070 -0.270 0.000 2.319 429 H HA -0.244 4.410 4.556 0.164 0.000 0.299 429 H C 2.076 177.215 175.328 -0.316 0.000 1.092 429 H CA 2.217 57.973 56.048 -0.487 0.000 1.302 429 H CB -0.635 28.642 29.762 -0.808 0.000 1.373 429 H HN 0.045 nan 8.280 nan 0.000 0.497 430 L N 1.062 122.173 121.223 -0.187 0.000 2.083 430 L HA -0.136 4.302 4.340 0.164 0.000 0.209 430 L C 2.461 179.189 176.870 -0.238 0.000 1.083 430 L CA 1.468 56.179 54.840 -0.215 0.000 0.752 430 L CB -0.501 41.408 42.059 -0.251 0.000 0.899 430 L HN 0.122 nan 8.230 nan 0.000 0.433 431 R N -1.114 119.213 120.500 -0.290 0.000 2.103 431 R HA -0.179 4.259 4.340 0.164 0.000 0.242 431 R C 2.218 178.385 176.300 -0.221 0.000 1.142 431 R CA 1.882 57.791 56.100 -0.318 0.000 0.960 431 R CB -0.328 29.674 30.300 -0.496 0.000 0.858 431 R HN 0.415 nan 8.270 nan 0.000 0.439 432 S N 0.949 116.519 115.700 -0.216 0.000 2.356 432 S HA -0.102 4.467 4.470 0.164 0.000 0.223 432 S C 1.904 176.463 174.600 -0.069 0.000 1.032 432 S CA 1.371 59.532 58.200 -0.065 0.000 1.005 432 S CB -0.208 62.997 63.200 0.009 0.000 0.867 432 S HN 0.299 nan 8.310 nan 0.000 0.449 433 L N 1.468 122.588 121.223 -0.173 0.000 2.079 433 L HA -0.105 4.334 4.340 0.164 0.000 0.210 433 L C 2.421 179.099 176.870 -0.319 0.000 1.081 433 L CA 1.205 55.814 54.840 -0.385 0.000 0.752 433 L CB -0.859 40.740 42.059 -0.768 0.000 0.896 433 L HN 0.354 nan 8.230 nan 0.000 0.433 434 V N -4.939 114.833 119.914 -0.238 0.000 3.217 434 V HA -0.095 4.124 4.120 0.164 0.000 0.264 434 V C 2.068 178.050 176.094 -0.186 0.000 1.135 434 V CA 0.888 63.096 62.300 -0.153 0.000 1.142 434 V CB -0.648 31.076 31.823 -0.164 0.000 0.754 434 V HN 0.135 nan 8.190 nan 0.000 0.484 435 F N 2.595 122.483 119.950 -0.103 0.000 2.147 435 F HA 0.054 4.679 4.527 0.163 0.000 0.291 435 F C 2.871 178.614 175.800 -0.095 0.000 1.093 435 F CA 1.976 59.903 58.000 -0.122 0.000 1.263 435 F CB -0.959 37.909 39.000 -0.219 0.000 1.036 435 F HN 0.333 nan 8.300 nan 0.000 0.481 436 T N -3.525 111.083 114.554 0.090 0.000 3.043 436 T HA -0.040 4.408 4.350 0.164 0.000 0.263 436 T C 0.516 175.251 174.700 0.058 0.000 1.094 436 T CA 1.050 63.171 62.100 0.035 0.000 1.127 436 T CB -0.074 68.784 68.868 -0.018 0.000 0.905 436 T HN 0.034 nan 8.240 nan 0.000 0.490 437 D N 0.900 121.357 120.400 0.095 0.000 2.735 437 D HA 0.204 4.943 4.640 0.164 0.000 0.291 437 D C -0.715 175.718 176.300 0.221 0.000 1.205 437 D CA -0.523 53.576 54.000 0.165 0.000 0.777 437 D CB 0.422 41.374 40.800 0.254 0.000 1.234 437 D HN 0.298 nan 8.370 nan 0.000 0.520 438 K N 2.548 123.025 120.400 0.129 0.000 2.447 438 K HA 0.164 4.582 4.320 0.164 0.000 0.281 438 K C -2.193 174.438 176.600 0.051 0.000 1.031 438 K CA -0.764 55.578 56.287 0.091 0.000 1.019 438 K CB 0.679 33.233 32.500 0.091 0.000 0.918 438 K HN 0.205 nan 8.250 nan 0.000 0.476 439 P HA 0.166 nan 4.420 nan 0.000 0.287 439 P C -0.436 176.767 177.300 -0.163 0.000 1.296 439 P CA -0.393 62.675 63.100 -0.053 0.000 0.811 439 P CB 0.827 32.534 31.700 0.011 0.000 1.211 440 D N -1.032 119.204 120.400 -0.274 0.000 2.137 440 D HA 0.067 4.805 4.640 0.164 0.000 0.202 440 D C 0.285 176.096 176.300 -0.814 0.000 0.970 440 D CA 1.651 55.370 54.000 -0.469 0.000 0.837 440 D CB -0.037 40.558 40.800 -0.341 0.000 0.981 440 D HN 0.301 nan 8.370 nan 0.000 0.475 441 F N -0.975 118.841 119.950 -0.223 0.000 2.662 441 F HA 0.412 5.036 4.527 0.162 0.000 0.312 441 F C -0.210 175.664 175.800 0.124 0.000 1.113 441 F CA -0.960 57.024 58.000 -0.026 0.000 0.951 441 F CB 1.559 40.597 39.000 0.062 0.000 1.344 441 F HN -0.424 nan 8.300 nan 0.000 0.462 442 M N 2.541 122.367 119.600 0.376 0.000 2.404 442 M HA 0.569 5.147 4.480 0.164 0.000 0.338 442 M C -1.211 175.254 176.300 0.276 0.000 1.150 442 M CA -0.476 55.045 55.300 0.368 0.000 1.016 442 M CB 1.952 34.786 32.600 0.390 0.000 1.672 442 M HN 0.349 nan 8.290 nan 0.000 0.448 443 I N 2.122 122.779 120.570 0.146 0.000 2.354 443 I HA 0.738 5.007 4.170 0.164 0.000 0.286 443 I C 0.278 176.128 176.117 -0.446 0.000 1.007 443 I CA -0.247 61.022 61.300 -0.051 0.000 1.167 443 I CB 1.386 39.367 38.000 -0.031 0.000 1.320 443 I HN 0.850 nan 8.210 nan 0.000 0.458 444 G N 4.497 112.929 108.800 -0.614 0.000 2.490 444 G HA2 0.260 4.318 3.960 0.164 0.000 0.308 444 G HA3 0.260 4.318 3.960 0.164 0.000 0.308 444 G C -1.567 172.999 174.900 -0.556 0.000 1.286 444 G CA -0.701 43.607 45.100 -1.321 0.000 0.825 444 G HN 0.556 nan 8.290 nan 0.000 0.479 445 N N -1.080 117.398 118.700 -0.369 0.000 2.476 445 N HA 0.350 5.188 4.740 0.164 0.000 0.287 445 N C 1.186 176.674 175.510 -0.036 0.000 1.262 445 N CA 0.272 53.242 53.050 -0.135 0.000 0.980 445 N CB 0.745 39.158 38.487 -0.123 0.000 1.163 445 N HN 0.235 nan 8.380 nan 0.000 0.592 446 S N -1.361 114.180 115.700 -0.265 0.000 2.442 446 S HA -0.084 4.484 4.470 0.164 0.000 0.236 446 S C 1.133 175.636 174.600 -0.162 0.000 1.007 446 S CA 0.682 58.728 58.200 -0.255 0.000 0.965 446 S CB -0.722 62.260 63.200 -0.363 0.000 0.773 446 S HN 0.506 nan 8.310 nan 0.000 0.504 447 Y N 1.638 122.011 120.300 0.122 0.000 2.483 447 Y HA 0.004 4.642 4.550 0.148 0.000 0.291 447 Y C 2.478 178.519 175.900 0.235 0.000 1.143 447 Y CA 0.150 58.380 58.100 0.217 0.000 1.289 447 Y CB -1.177 37.427 38.460 0.240 0.000 0.983 447 Y HN 0.319 nan 8.280 nan 0.000 0.556 448 G N 0.653 109.746 108.800 0.489 0.000 2.498 448 G HA2 -0.262 3.796 3.960 0.164 0.000 0.219 448 G HA3 -0.262 3.796 3.960 0.164 0.000 0.219 448 G C 1.728 176.739 174.900 0.185 0.000 1.119 448 G CA 0.881 46.269 45.100 0.480 0.000 0.766 448 G HN 0.547 nan 8.290 nan 0.000 0.552 449 K N -0.383 119.990 120.400 -0.044 0.000 2.147 449 K HA -0.029 4.389 4.320 0.164 0.000 0.205 449 K C 1.842 178.355 176.600 -0.146 0.000 1.049 449 K CA 1.064 57.239 56.287 -0.186 0.000 0.936 449 K CB -0.458 31.810 32.500 -0.386 0.000 0.722 449 K HN 0.241 nan 8.250 nan 0.000 0.446 450 F N 1.887 121.925 119.950 0.147 0.000 2.234 450 F HA 0.050 4.669 4.527 0.153 0.000 0.299 450 F C 2.121 177.993 175.800 0.119 0.000 1.087 450 F CA 0.440 58.520 58.000 0.134 0.000 1.340 450 F CB -0.401 38.693 39.000 0.156 0.000 1.031 450 F HN -0.088 nan 8.300 nan 0.000 0.500 451 I N -0.333 120.375 120.570 0.230 0.000 2.252 451 I HA -0.290 3.978 4.170 0.164 0.000 0.245 451 I C 2.586 178.739 176.117 0.060 0.000 1.102 451 I CA 1.342 62.701 61.300 0.099 0.000 1.385 451 I CB -0.596 37.421 38.000 0.028 0.000 1.064 451 I HN 0.183 nan 8.210 nan 0.000 0.414 452 Q N 1.427 121.275 119.800 0.080 0.000 2.084 452 Q HA -0.267 4.171 4.340 0.164 0.000 0.202 452 Q C 2.443 178.492 176.000 0.081 0.000 0.978 452 Q CA 1.602 57.438 55.803 0.056 0.000 0.844 452 Q CB -0.105 28.666 28.738 0.056 0.000 0.898 452 Q HN 0.333 nan 8.270 nan 0.000 0.426 453 R N 0.157 120.726 120.500 0.115 0.000 2.094 453 R HA -0.200 4.239 4.340 0.164 0.000 0.239 453 R C 1.463 177.876 176.300 0.187 0.000 1.137 453 R CA 2.141 58.325 56.100 0.141 0.000 0.943 453 R CB -0.288 30.121 30.300 0.181 0.000 0.850 453 R HN 0.367 nan 8.270 nan 0.000 0.433 454 D N -0.303 120.241 120.400 0.240 0.000 2.117 454 D HA -0.143 4.595 4.640 0.164 0.000 0.197 454 D C 1.968 178.581 176.300 0.522 0.000 0.987 454 D CA 2.161 56.403 54.000 0.403 0.000 0.829 454 D CB -0.542 40.515 40.800 0.429 0.000 0.961 454 D HN 0.506 nan 8.370 nan 0.000 0.460 455 T N -0.372 114.302 114.554 0.200 0.000 2.746 455 T HA -0.163 4.285 4.350 0.164 0.000 0.267 455 T C 2.043 176.915 174.700 0.286 0.000 1.039 455 T CA 0.819 62.990 62.100 0.119 0.000 1.142 455 T CB -0.610 68.148 68.868 -0.183 0.000 0.866 455 T HN 0.064 nan 8.240 nan 0.000 0.444 456 L N 1.241 122.586 121.223 0.203 0.000 2.079 456 L HA -0.041 4.397 4.340 0.164 0.000 0.210 456 L C 2.446 179.446 176.870 0.217 0.000 1.081 456 L CA 2.072 57.020 54.840 0.179 0.000 0.752 456 L CB -1.205 40.925 42.059 0.117 0.000 0.896 456 L HN 0.457 nan 8.230 nan 0.000 0.433 457 H N -0.232 118.906 119.070 0.113 0.000 2.387 457 H HA -0.195 4.460 4.556 0.165 0.000 0.299 457 H C 2.323 177.680 175.328 0.048 0.000 1.090 457 H CA 2.248 58.273 56.048 -0.039 0.000 1.332 457 H CB 0.014 29.590 29.762 -0.310 0.000 1.386 457 H HN 0.374 nan 8.280 nan 0.000 0.516 458 K N -0.593 119.975 120.400 0.280 0.000 2.057 458 K HA 0.010 4.428 4.320 0.164 0.000 0.207 458 K C 0.193 176.983 176.600 0.317 0.000 1.049 458 K CA 1.096 57.559 56.287 0.292 0.000 0.931 458 K CB -0.007 32.697 32.500 0.340 0.000 0.714 458 K HN 0.474 nan 8.250 nan 0.000 0.440 459 G N -0.602 108.446 108.800 0.413 0.000 2.358 459 G HA2 0.013 4.071 3.960 0.164 0.000 0.301 459 G HA3 0.013 4.071 3.960 0.164 0.000 0.301 459 G C -0.767 174.246 174.900 0.188 0.000 1.539 459 G CA -0.376 44.907 45.100 0.306 0.000 0.893 459 G HN -0.055 nan 8.290 nan 0.000 0.636 460 K N 0.498 120.929 120.400 0.053 0.000 2.103 460 K HA -0.126 4.293 4.320 0.164 0.000 0.207 460 K C 2.244 178.786 176.600 -0.096 0.000 1.048 460 K CA 2.700 58.982 56.287 -0.007 0.000 0.930 460 K CB -0.126 32.359 32.500 -0.025 0.000 0.716 460 K HN 0.718 nan 8.250 nan 0.000 0.444 461 E N -1.158 118.893 120.200 -0.249 0.000 2.418 461 E HA -0.147 4.301 4.350 0.164 0.000 0.197 461 E C 0.831 177.107 176.600 -0.540 0.000 1.026 461 E CA 0.740 56.876 56.400 -0.440 0.000 0.862 461 E CB -0.234 29.096 29.700 -0.615 0.000 0.799 461 E HN 0.324 nan 8.360 nan 0.000 0.518 462 F N 1.553 121.513 119.950 0.016 0.000 2.721 462 F HA 0.249 4.874 4.527 0.163 0.000 0.301 462 F C 0.955 176.740 175.800 -0.025 0.000 1.096 462 F CA -0.478 57.537 58.000 0.024 0.000 1.308 462 F CB 0.121 39.192 39.000 0.118 0.000 1.086 462 F HN -0.039 nan 8.300 nan 0.000 0.587 463 E N 1.611 121.858 120.200 0.078 0.000 2.415 463 E HA 0.189 4.637 4.350 0.164 0.000 0.263 463 E C -0.860 175.699 176.600 -0.070 0.000 0.995 463 E CA -0.054 56.357 56.400 0.017 0.000 0.915 463 E CB 0.804 30.509 29.700 0.007 0.000 0.951 463 E HN -0.092 nan 8.360 nan 0.000 0.449 464 V N 7.713 127.580 119.914 -0.079 0.000 2.313 464 V HA 0.271 4.489 4.120 0.164 0.000 0.278 464 V C -2.229 173.835 176.094 -0.050 0.000 1.017 464 V CA -1.872 60.355 62.300 -0.121 0.000 0.823 464 V CB 1.092 32.859 31.823 -0.094 0.000 1.010 464 V HN 0.723 nan 8.190 nan 0.000 0.443 465 P HA 0.199 nan 4.420 nan 0.000 0.271 465 P C -0.550 176.880 177.300 0.217 0.000 1.218 465 P CA -0.392 62.763 63.100 0.091 0.000 0.780 465 P CB 0.772 32.576 31.700 0.173 0.000 0.901 466 L N 4.400 125.729 121.223 0.177 0.000 2.305 466 L HA 0.368 4.806 4.340 0.164 0.000 0.281 466 L C -0.676 176.283 176.870 0.149 0.000 1.085 466 L CA 0.028 54.971 54.840 0.173 0.000 0.813 466 L CB -0.051 42.080 42.059 0.120 0.000 1.157 466 L HN 0.240 nan 8.230 nan 0.000 0.436 467 I N 5.545 126.193 120.570 0.130 0.000 2.330 467 I HA 0.382 4.650 4.170 0.164 0.000 0.289 467 I C -0.009 176.109 176.117 0.002 0.000 1.001 467 I CA -0.585 60.747 61.300 0.053 0.000 1.193 467 I CB 0.939 38.959 38.000 0.032 0.000 1.345 467 I HN 0.514 nan 8.210 nan 0.000 0.461 468 R N 7.367 127.864 120.500 -0.006 0.000 2.248 468 R HA 0.584 5.022 4.340 0.164 0.000 0.337 468 R C -0.900 175.410 176.300 0.016 0.000 1.106 468 R CA 0.038 56.123 56.100 -0.025 0.000 0.959 468 R CB 0.366 30.651 30.300 -0.024 0.000 1.075 468 R HN 0.562 nan 8.270 nan 0.000 0.480 469 I N 2.179 122.757 120.570 0.014 0.000 2.548 469 I HA 0.561 4.830 4.170 0.164 0.000 0.287 469 I C 0.445 176.588 176.117 0.043 0.000 1.103 469 I CA -0.582 60.805 61.300 0.145 0.000 1.049 469 I CB 2.123 40.243 38.000 0.200 0.000 1.232 469 I HN 0.822 nan 8.210 nan 0.000 0.429 470 G N 5.175 113.958 108.800 -0.028 0.000 2.250 470 G HA2 0.137 4.195 3.960 0.164 0.000 0.252 470 G HA3 0.137 4.195 3.960 0.164 0.000 0.252 470 G C -2.069 172.681 174.900 -0.250 0.000 1.325 470 G CA -0.681 44.191 45.100 -0.380 0.000 1.091 470 G HN 0.525 nan 8.290 nan 0.000 0.476 471 F N 2.154 121.860 119.950 -0.407 0.000 2.596 471 F HA 0.742 5.367 4.527 0.164 0.000 0.311 471 F C -2.375 173.193 175.800 -0.388 0.000 1.116 471 F CA -1.763 55.945 58.000 -0.487 0.000 0.957 471 F CB 2.640 41.361 39.000 -0.465 0.000 1.250 471 F HN 0.494 nan 8.300 nan 0.000 0.444 472 P HA 0.443 nan 4.420 nan 0.000 0.284 472 P C -0.993 175.661 177.300 -1.077 0.000 1.258 472 P CA -0.240 61.760 63.100 -1.834 0.000 0.824 472 P CB 2.138 32.192 31.700 -2.743 0.000 1.038 473 I N 2.510 122.755 120.570 -0.543 0.000 2.390 473 I HA 0.216 4.485 4.170 0.164 0.000 0.283 473 I C 0.235 176.196 176.117 -0.259 0.000 1.016 473 I CA -0.408 60.671 61.300 -0.369 0.000 1.151 473 I CB 0.673 38.572 38.000 -0.169 0.000 1.293 473 I HN 0.177 nan 8.210 nan 0.000 0.458 474 F N 2.516 122.325 119.950 -0.236 0.000 2.727 474 F HA 0.069 4.737 4.527 0.234 0.000 0.302 474 F C 1.670 177.392 175.800 -0.131 0.000 1.107 474 F CA -0.275 57.600 58.000 -0.209 0.000 1.277 474 F CB -0.026 38.835 39.000 -0.233 0.000 1.079 474 F HN 0.487 nan 8.300 nan 0.000 0.594 475 D N -0.888 119.549 120.400 0.060 0.000 2.440 475 D HA 0.120 4.858 4.640 0.164 0.000 0.216 475 D C 0.496 176.825 176.300 0.048 0.000 1.150 475 D CA 0.198 54.224 54.000 0.043 0.000 0.832 475 D CB 0.355 41.150 40.800 -0.009 0.000 0.992 475 D HN -0.056 nan 8.370 nan 0.000 0.502 476 R N -0.104 120.431 120.500 0.059 0.000 2.837 476 R HA 0.419 4.857 4.340 0.164 0.000 0.271 476 R C -0.642 175.740 176.300 0.136 0.000 0.993 476 R CA -0.572 55.577 56.100 0.082 0.000 0.931 476 R CB 1.240 31.555 30.300 0.026 0.000 1.206 476 R HN 0.221 nan 8.270 nan 0.000 0.474 477 H N 1.635 120.630 119.070 -0.124 0.000 2.457 477 H HA 0.258 4.914 4.556 0.167 0.000 0.335 477 H C -0.138 175.049 175.328 -0.236 0.000 1.115 477 H CA -0.519 55.341 56.048 -0.313 0.000 1.219 477 H CB 1.127 30.649 29.762 -0.400 0.000 1.471 477 H HN 0.627 nan 8.280 nan 0.000 0.491 478 H N 1.441 120.617 119.070 0.176 0.000 3.109 478 H HA -0.162 4.495 4.556 0.167 0.000 0.245 478 H C 1.097 176.392 175.328 -0.056 0.000 1.187 478 H CA 0.519 56.601 56.048 0.057 0.000 1.136 478 H CB -1.433 28.356 29.762 0.046 0.000 1.243 478 H HN 0.663 nan 8.280 nan 0.000 0.328 479 L N 0.914 122.180 121.223 0.072 0.000 2.376 479 L HA -0.097 4.341 4.340 0.164 0.000 0.219 479 L C 2.750 179.702 176.870 0.138 0.000 1.133 479 L CA 1.295 56.188 54.840 0.089 0.000 0.816 479 L CB -0.469 41.648 42.059 0.097 0.000 0.933 479 L HN 0.478 nan 8.230 nan 0.000 0.449 480 H N 0.380 119.448 119.070 -0.003 0.000 2.543 480 H HA -0.095 4.564 4.556 0.171 0.000 0.286 480 H C 1.586 177.078 175.328 0.273 0.000 1.037 480 H CA 0.604 56.664 56.048 0.021 0.000 1.250 480 H CB -0.307 29.325 29.762 -0.216 0.000 1.373 480 H HN 0.377 nan 8.280 nan 0.000 0.580 481 R N 0.963 121.276 120.500 -0.311 0.000 2.299 481 R HA 0.114 4.553 4.340 0.164 0.000 0.197 481 R C 0.619 176.943 176.300 0.039 0.000 0.971 481 R CA 0.077 56.099 56.100 -0.130 0.000 1.030 481 R CB 0.337 30.532 30.300 -0.174 0.000 0.932 481 R HN 0.130 nan 8.270 nan 0.000 0.477 482 S N 0.376 116.139 115.700 0.104 0.000 2.606 482 S HA 0.137 4.705 4.470 0.164 0.000 0.257 482 S C 0.347 174.883 174.600 -0.106 0.000 1.327 482 S CA 0.010 58.197 58.200 -0.021 0.000 0.984 482 S CB 1.175 64.320 63.200 -0.093 0.000 0.941 482 S HN 0.050 nan 8.310 nan 0.000 0.576 483 T N 0.731 115.150 114.554 -0.225 0.000 2.861 483 T HA 0.506 4.954 4.350 0.164 0.000 0.287 483 T C 0.870 175.369 174.700 -0.336 0.000 1.003 483 T CA -0.676 61.278 62.100 -0.244 0.000 0.977 483 T CB 1.658 70.443 68.868 -0.138 0.000 0.996 483 T HN 0.738 nan 8.240 nan 0.000 0.448 484 T N -0.186 114.169 114.554 -0.331 0.000 2.959 484 T HA 0.383 4.831 4.350 0.164 0.000 0.254 484 T C 0.534 175.114 174.700 -0.199 0.000 1.003 484 T CA -0.178 61.775 62.100 -0.245 0.000 0.950 484 T CB -0.052 68.715 68.868 -0.168 0.000 1.090 484 T HN 0.359 nan 8.240 nan 0.000 0.503 485 L N 1.692 122.794 121.223 -0.202 0.000 2.399 485 L HA 0.655 5.093 4.340 0.164 0.000 0.265 485 L C 1.300 178.011 176.870 -0.265 0.000 1.089 485 L CA -0.011 54.690 54.840 -0.231 0.000 0.802 485 L CB 0.584 42.491 42.059 -0.253 0.000 1.180 485 L HN 0.588 nan 8.230 nan 0.000 0.454 486 G N 0.146 108.750 108.800 -0.326 0.000 2.750 486 G HA2 -0.308 3.750 3.960 0.164 0.000 0.228 486 G HA3 -0.308 3.750 3.960 0.164 0.000 0.228 486 G C -0.117 174.587 174.900 -0.326 0.000 1.367 486 G CA 0.197 45.062 45.100 -0.392 0.000 0.871 486 G HN 0.548 nan 8.290 nan 0.000 0.560 487 Y N 0.209 120.433 120.300 -0.128 0.000 2.293 487 Y HA 0.033 4.682 4.550 0.164 0.000 0.291 487 Y C 2.797 178.620 175.900 -0.128 0.000 1.137 487 Y CA 1.847 59.871 58.100 -0.127 0.000 1.202 487 Y CB -0.429 37.990 38.460 -0.068 0.000 0.990 487 Y HN 0.792 nan 8.280 nan 0.000 0.537 488 E N 0.030 120.243 120.200 0.021 0.000 2.051 488 E HA -0.157 4.291 4.350 0.164 0.000 0.192 488 E C 2.570 179.121 176.600 -0.082 0.000 0.991 488 E CA 1.202 57.588 56.400 -0.023 0.000 0.799 488 E CB -0.530 29.149 29.700 -0.034 0.000 0.748 488 E HN 0.461 nan 8.360 nan 0.000 0.449 489 G N 0.680 109.394 108.800 -0.143 0.000 2.418 489 G HA2 -0.275 3.784 3.960 0.164 0.000 0.217 489 G HA3 -0.275 3.784 3.960 0.164 0.000 0.217 489 G C 1.665 176.434 174.900 -0.219 0.000 1.158 489 G CA 1.014 46.001 45.100 -0.190 0.000 0.771 489 G HN 0.429 nan 8.290 nan 0.000 0.545 490 A N 0.558 123.195 122.820 -0.305 0.000 1.902 490 A HA 0.043 4.462 4.320 0.164 0.000 0.217 490 A C 2.467 179.990 177.584 -0.103 0.000 1.181 490 A CA 1.767 53.495 52.037 -0.514 0.000 0.623 490 A CB -0.354 18.214 19.000 -0.720 0.000 0.818 490 A HN 0.388 nan 8.150 nan 0.000 0.443 491 M N -0.951 118.624 119.600 -0.042 0.000 2.117 491 M HA -0.240 4.339 4.480 0.164 0.000 0.262 491 M C 2.467 178.773 176.300 0.009 0.000 1.065 491 M CA 1.760 57.071 55.300 0.020 0.000 1.114 491 M CB -0.462 32.143 32.600 0.009 0.000 1.361 491 M HN 0.496 nan 8.290 nan 0.000 0.408 492 Q N 0.223 120.003 119.800 -0.032 0.000 2.079 492 Q HA -0.122 4.316 4.340 0.164 0.000 0.200 492 Q C 2.037 178.020 176.000 -0.028 0.000 0.974 492 Q CA 1.310 57.088 55.803 -0.042 0.000 0.840 492 Q CB -0.172 28.517 28.738 -0.082 0.000 0.898 492 Q HN 0.558 nan 8.270 nan 0.000 0.430 493 I N 0.758 121.320 120.570 -0.013 0.000 2.179 493 I HA -0.302 3.966 4.170 0.164 0.000 0.242 493 I C 2.427 178.582 176.117 0.063 0.000 1.088 493 I CA 0.928 62.247 61.300 0.031 0.000 1.357 493 I CB -0.287 37.763 38.000 0.083 0.000 1.051 493 I HN 0.238 nan 8.210 nan 0.000 0.409 494 L N 0.257 121.575 121.223 0.159 0.000 2.012 494 L HA -0.256 4.182 4.340 0.164 0.000 0.210 494 L C 2.588 179.460 176.870 0.004 0.000 1.073 494 L CA 1.893 56.780 54.840 0.079 0.000 0.748 494 L CB -0.432 41.721 42.059 0.155 0.000 0.891 494 L HN 0.241 nan 8.230 nan 0.000 0.431 495 T N -0.872 113.686 114.554 0.008 0.000 2.708 495 T HA -0.184 4.264 4.350 0.164 0.000 0.266 495 T C 1.736 176.410 174.700 -0.044 0.000 1.037 495 T CA 1.990 64.080 62.100 -0.018 0.000 1.146 495 T CB -0.439 68.420 68.868 -0.014 0.000 0.865 495 T HN 0.459 nan 8.240 nan 0.000 0.435 496 T N 2.455 116.981 114.554 -0.047 0.000 2.746 496 T HA 0.037 4.485 4.350 0.164 0.000 0.267 496 T C 1.988 176.625 174.700 -0.107 0.000 1.039 496 T CA 0.871 62.931 62.100 -0.067 0.000 1.142 496 T CB -0.434 68.400 68.868 -0.057 0.000 0.866 496 T HN 0.251 nan 8.240 nan 0.000 0.444 497 L N 0.387 121.542 121.223 -0.113 0.000 2.005 497 L HA -0.038 4.400 4.340 0.164 0.000 0.207 497 L C 2.717 179.498 176.870 -0.148 0.000 1.072 497 L CA 0.925 55.671 54.840 -0.156 0.000 0.744 497 L CB -0.757 41.201 42.059 -0.169 0.000 0.895 497 L HN 0.126 nan 8.230 nan 0.000 0.433 498 V N 0.387 120.245 119.914 -0.093 0.000 2.427 498 V HA -0.270 3.949 4.120 0.164 0.000 0.248 498 V C 1.903 177.913 176.094 -0.139 0.000 1.051 498 V CA 2.225 64.482 62.300 -0.072 0.000 1.048 498 V CB -0.441 31.372 31.823 -0.017 0.000 0.666 498 V HN 0.526 nan 8.190 nan 0.000 0.456 499 N N -0.670 117.952 118.700 -0.130 0.000 2.331 499 N HA -0.102 4.737 4.740 0.164 0.000 0.180 499 N C 1.905 177.325 175.510 -0.150 0.000 1.019 499 N CA 1.147 54.114 53.050 -0.138 0.000 0.881 499 N CB -0.056 38.372 38.487 -0.098 0.000 0.972 499 N HN 0.392 nan 8.380 nan 0.000 0.435 500 S N 1.027 116.614 115.700 -0.188 0.000 2.356 500 S HA -0.048 4.520 4.470 0.164 0.000 0.223 500 S C 1.932 176.400 174.600 -0.221 0.000 1.032 500 S CA 0.766 58.826 58.200 -0.233 0.000 1.005 500 S CB -0.148 62.813 63.200 -0.399 0.000 0.867 500 S HN 0.249 nan 8.310 nan 0.000 0.449 501 I N 1.385 121.778 120.570 -0.294 0.000 2.163 501 I HA -0.200 4.069 4.170 0.164 0.000 0.243 501 I C 2.035 178.080 176.117 -0.121 0.000 1.085 501 I CA 1.202 62.456 61.300 -0.078 0.000 1.347 501 I CB -0.335 37.637 38.000 -0.046 0.000 1.044 501 I HN 0.229 nan 8.210 nan 0.000 0.408 502 L N 0.007 121.074 121.223 -0.260 0.000 2.141 502 L HA -0.173 4.265 4.340 0.164 0.000 0.209 502 L C 2.429 179.177 176.870 -0.204 0.000 1.094 502 L CA 1.214 55.836 54.840 -0.363 0.000 0.763 502 L CB -0.554 41.244 42.059 -0.435 0.000 0.908 502 L HN 0.246 nan 8.230 nan 0.000 0.437 503 E N -0.092 120.036 120.200 -0.121 0.000 2.051 503 E HA -0.270 4.178 4.350 0.164 0.000 0.192 503 E C 2.225 178.819 176.600 -0.009 0.000 0.991 503 E CA 1.130 57.496 56.400 -0.056 0.000 0.799 503 E CB -0.034 29.648 29.700 -0.030 0.000 0.748 503 E HN 0.190 nan 8.360 nan 0.000 0.449 504 R N 0.955 121.481 120.500 0.042 0.000 2.075 504 R HA -0.118 4.320 4.340 0.164 0.000 0.232 504 R C 2.153 178.462 176.300 0.015 0.000 1.126 504 R CA 0.915 57.059 56.100 0.073 0.000 0.963 504 R CB -0.665 29.754 30.300 0.198 0.000 0.858 504 R HN 0.174 nan 8.270 nan 0.000 0.435 505 L N 0.706 121.914 121.223 -0.024 0.000 2.083 505 L HA -0.130 4.308 4.340 0.164 0.000 0.209 505 L C 1.303 178.156 176.870 -0.029 0.000 1.083 505 L CA 2.041 56.850 54.840 -0.052 0.000 0.752 505 L CB -0.692 41.278 42.059 -0.148 0.000 0.899 505 L HN 0.185 nan 8.230 nan 0.000 0.433 506 D N -0.413 119.963 120.400 -0.039 0.000 2.097 506 D HA -0.241 4.498 4.640 0.164 0.000 0.195 506 D C 2.065 178.440 176.300 0.124 0.000 0.989 506 D CA 1.477 55.517 54.000 0.066 0.000 0.827 506 D CB -0.025 40.777 40.800 0.004 0.000 0.966 506 D HN 0.561 nan 8.370 nan 0.000 0.456 507 E N 0.694 120.920 120.200 0.044 0.000 2.085 507 E HA -0.206 4.242 4.350 0.164 0.000 0.194 507 E C 1.588 178.180 176.600 -0.013 0.000 0.994 507 E CA 1.055 57.464 56.400 0.016 0.000 0.801 507 E CB 0.073 29.777 29.700 0.008 0.000 0.743 507 E HN 0.338 nan 8.360 nan 0.000 0.453 508 E N -0.633 119.558 120.200 -0.015 0.000 2.347 508 E HA -0.094 4.355 4.350 0.164 0.000 0.196 508 E C 1.469 178.032 176.600 -0.061 0.000 1.008 508 E CA 1.336 57.713 56.400 -0.038 0.000 0.852 508 E CB 0.157 29.836 29.700 -0.036 0.000 0.783 508 E HN 0.342 nan 8.360 nan 0.000 0.505 509 T N -2.291 112.240 114.554 -0.039 0.000 3.134 509 T HA 0.208 4.656 4.350 0.164 0.000 0.260 509 T C 1.290 175.850 174.700 -0.235 0.000 1.027 509 T CA -0.454 61.598 62.100 -0.079 0.000 0.913 509 T CB 0.279 69.150 68.868 0.005 0.000 1.046 509 T HN -0.078 nan 8.240 nan 0.000 0.553 510 R N 0.888 121.208 120.500 -0.299 0.000 2.310 510 R HA 0.278 4.716 4.340 0.164 0.000 0.202 510 R C 1.040 177.145 176.300 -0.326 0.000 0.933 510 R CA -0.055 55.717 56.100 -0.547 0.000 1.054 510 R CB -0.253 29.866 30.300 -0.301 0.000 0.985 510 R HN 0.452 nan 8.270 nan 0.000 0.489 511 G N 1.242 109.918 108.800 -0.206 0.000 2.351 511 G HA2 0.181 4.239 3.960 0.164 0.000 0.287 511 G HA3 0.181 4.239 3.960 0.164 0.000 0.287 511 G C -0.160 174.681 174.900 -0.099 0.000 1.159 511 G CA -0.528 44.499 45.100 -0.122 0.000 0.929 511 G HN 0.174 nan 8.290 nan 0.000 0.435 512 M N 1.890 121.443 119.600 -0.078 0.000 2.284 512 M HA 0.007 4.585 4.480 0.164 0.000 0.351 512 M C 1.120 177.413 176.300 -0.012 0.000 1.443 512 M CA 0.777 56.049 55.300 -0.046 0.000 1.031 512 M CB 0.478 33.056 32.600 -0.036 0.000 1.893 512 M HN 0.824 nan 8.290 nan 0.000 0.456 513 Q N 0.916 120.723 119.800 0.012 0.000 2.480 513 Q HA -0.307 4.132 4.340 0.164 0.000 0.265 513 Q C -0.232 175.799 176.000 0.052 0.000 1.072 513 Q CA 0.864 56.691 55.803 0.039 0.000 1.018 513 Q CB -0.606 28.147 28.738 0.025 0.000 1.433 513 Q HN 0.938 nan 8.270 nan 0.000 0.513 514 A N -1.766 121.086 122.820 0.053 0.000 1.876 514 A HA 0.180 4.598 4.320 0.164 0.000 0.193 514 A C 1.321 178.971 177.584 0.110 0.000 1.883 514 A CA 0.816 52.893 52.037 0.067 0.000 1.052 514 A CB 0.063 19.075 19.000 0.020 0.000 1.049 514 A HN 0.646 nan 8.150 nan 0.000 0.615 515 T N -1.743 112.799 114.554 -0.019 0.000 3.003 515 T HA 0.076 4.524 4.350 0.164 0.000 0.261 515 T C 0.852 175.322 174.700 -0.384 0.000 1.003 515 T CA 0.931 62.904 62.100 -0.212 0.000 0.917 515 T CB 0.084 68.852 68.868 -0.167 0.000 1.084 515 T HN 0.393 nan 8.240 nan 0.000 0.522 516 D N 1.815 122.106 120.400 -0.181 0.000 2.378 516 D HA -0.145 4.593 4.640 0.164 0.000 0.227 516 D C 1.647 177.927 176.300 -0.033 0.000 1.012 516 D CA 0.262 54.185 54.000 -0.127 0.000 0.905 516 D CB -0.747 39.979 40.800 -0.123 0.000 0.895 516 D HN 0.685 nan 8.370 nan 0.000 0.532 517 Y N 0.524 120.848 120.300 0.040 0.000 2.315 517 Y HA -0.100 4.549 4.550 0.164 0.000 0.288 517 Y C 1.389 177.329 175.900 0.067 0.000 1.154 517 Y CA 1.298 59.426 58.100 0.046 0.000 1.229 517 Y CB -1.205 37.274 38.460 0.031 0.000 0.980 517 Y HN -0.027 nan 8.280 nan 0.000 0.540 518 N N -0.418 118.087 118.700 -0.326 0.000 2.279 518 N HA -0.034 4.804 4.740 0.164 0.000 0.226 518 N C -0.555 174.944 175.510 -0.019 0.000 1.126 518 N CA -0.186 52.788 53.050 -0.127 0.000 0.846 518 N CB -0.597 37.758 38.487 -0.220 0.000 1.050 518 N HN 0.383 nan 8.380 nan 0.000 0.502 519 H N 0.301 119.308 119.070 -0.106 0.000 2.768 519 H HA 0.215 4.869 4.556 0.163 0.000 0.219 519 H C -0.789 174.521 175.328 -0.031 0.000 1.898 519 H CA -0.529 55.476 56.048 -0.072 0.000 1.313 519 H CB -0.764 28.957 29.762 -0.068 0.000 1.701 519 H HN 0.132 nan 8.280 nan 0.000 0.534 520 D N 1.501 121.855 120.400 -0.077 0.000 2.414 520 D HA -0.082 4.656 4.640 0.164 0.000 0.242 520 D C 1.496 177.728 176.300 -0.113 0.000 1.129 520 D CA -0.230 53.742 54.000 -0.046 0.000 0.885 520 D CB 1.178 41.986 40.800 0.013 0.000 1.198 520 D HN 0.366 nan 8.370 nan 0.000 0.437 521 L N 3.189 124.375 121.223 -0.063 0.000 2.046 521 L HA -0.075 4.363 4.340 0.164 0.000 0.208 521 L C 0.183 177.020 176.870 -0.054 0.000 1.077 521 L CA 1.558 56.359 54.840 -0.065 0.000 0.747 521 L CB 0.258 42.301 42.059 -0.027 0.000 0.896 521 L HN 0.208 nan 8.230 nan 0.000 0.432 522 V N 1.860 121.763 119.914 -0.019 0.000 2.459 522 V HA 0.551 4.769 4.120 0.164 0.000 0.295 522 V C 0.024 176.142 176.094 0.041 0.000 1.029 522 V CA -0.827 61.476 62.300 0.006 0.000 0.874 522 V CB 1.357 33.193 31.823 0.021 0.000 0.985 522 V HN 0.203 nan 8.190 nan 0.000 0.438 523 R N 0.000 120.532 120.500 0.053 0.000 2.786 523 R HA 0.000 4.438 4.340 0.164 0.000 0.208 523 R CA 0.000 56.201 56.100 0.168 0.000 0.921 523 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535