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 2brk_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LXXXXXXXXX XXXXXMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVXXX DATA SEQUENCE XXGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.572 174.600 -0.047 0.000 1.055 1 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 1 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 2 M N 3.103 122.669 119.600 -0.057 0.000 2.228 2 M HA 0.265 4.744 4.480 -0.001 0.000 0.351 2 M C 1.843 178.040 176.300 -0.172 0.000 1.233 2 M CA 0.011 55.264 55.300 -0.078 0.000 1.129 2 M CB 0.659 33.234 32.600 -0.042 0.000 1.604 2 M HN 1.047 nan 8.290 nan 0.000 0.457 3 S N 2.407 117.944 115.700 -0.271 0.000 2.419 3 S HA -0.058 4.412 4.470 -0.001 0.000 0.233 3 S C 0.119 174.335 174.600 -0.642 0.000 1.016 3 S CA 0.836 58.764 58.200 -0.453 0.000 0.974 3 S CB -0.152 62.705 63.200 -0.573 0.000 0.786 3 S HN 0.665 nan 8.310 nan 0.000 0.492 4 Y N -0.548 119.588 120.300 -0.274 0.000 2.597 4 Y HA 0.560 5.110 4.550 -0.001 0.000 0.340 4 Y C -0.220 175.380 175.900 -0.501 0.000 1.097 4 Y CA -1.031 56.788 58.100 -0.468 0.000 1.037 4 Y CB 2.070 40.147 38.460 -0.638 0.000 1.305 4 Y HN -0.162 nan 8.280 nan 0.000 0.463 5 T N 1.268 115.541 114.554 -0.468 0.000 2.876 5 T HA 0.445 4.794 4.350 -0.001 0.000 0.289 5 T C -1.545 172.824 174.700 -0.552 0.000 1.014 5 T CA -0.786 61.096 62.100 -0.364 0.000 0.986 5 T CB 0.773 69.563 68.868 -0.131 0.000 1.021 5 T HN 0.458 nan 8.240 nan 0.000 0.458 6 W N 0.971 122.322 121.300 0.085 0.000 2.761 6 W HA 0.408 5.068 4.660 0.000 0.000 0.340 6 W C 1.436 177.982 176.519 0.045 0.000 1.072 6 W CA -0.913 56.467 57.345 0.057 0.000 1.215 6 W CB 1.242 30.720 29.460 0.030 0.000 1.420 6 W HN 0.777 nan 8.180 nan 0.000 0.519 7 T N -2.363 112.364 114.554 0.288 0.000 3.031 7 T HA 0.328 4.677 4.350 -0.001 0.000 0.254 7 T C 1.425 176.208 174.700 0.138 0.000 1.060 7 T CA 1.072 63.270 62.100 0.164 0.000 1.135 7 T CB 0.024 68.969 68.868 0.128 0.000 0.896 7 T HN 1.088 nan 8.240 nan 0.000 0.472 8 G N 1.296 110.186 108.800 0.149 0.000 2.428 8 G HA2 0.118 4.077 3.960 -0.001 0.000 0.199 8 G HA3 0.118 4.077 3.960 -0.001 0.000 0.199 8 G C 0.392 175.325 174.900 0.056 0.000 1.005 8 G CA -0.123 45.026 45.100 0.083 0.000 0.671 8 G HN 0.997 nan 8.290 nan 0.000 0.485 9 A N 1.046 123.911 122.820 0.075 0.000 2.483 9 A HA 0.612 4.931 4.320 -0.001 0.000 0.238 9 A C 0.702 178.307 177.584 0.035 0.000 1.070 9 A CA 0.391 52.460 52.037 0.054 0.000 0.770 9 A CB 0.111 19.150 19.000 0.065 0.000 1.008 9 A HN 0.877 nan 8.150 nan 0.000 0.497 10 L N 1.458 122.687 121.223 0.010 0.000 2.379 10 L HA 0.360 4.699 4.340 -0.001 0.000 0.269 10 L C -0.075 176.789 176.870 -0.010 0.000 1.084 10 L CA -0.488 54.339 54.840 -0.021 0.000 0.802 10 L CB 0.948 42.995 42.059 -0.020 0.000 1.175 10 L HN 0.561 nan 8.230 nan 0.000 0.448 11 I N 1.583 122.129 120.570 -0.041 0.000 2.363 11 I HA 0.071 4.240 4.170 -0.001 0.000 0.292 11 I C 0.593 176.708 176.117 -0.003 0.000 1.075 11 I CA 0.054 61.344 61.300 -0.016 0.000 1.333 11 I CB 0.749 38.722 38.000 -0.045 0.000 1.415 11 I HN 0.659 nan 8.210 nan 0.000 0.502 12 T N 4.979 119.542 114.554 0.015 0.000 2.943 12 T HA 0.578 4.927 4.350 -0.001 0.000 0.284 12 T C -2.447 172.272 174.700 0.032 0.000 1.015 12 T CA -2.034 60.078 62.100 0.019 0.000 1.042 12 T CB 1.664 70.544 68.868 0.019 0.000 1.055 12 T HN 0.239 nan 8.240 nan 0.000 0.500 13 P HA 0.260 nan 4.420 nan 0.000 0.276 13 P C 0.761 178.088 177.300 0.045 0.000 1.244 13 P CA -0.766 62.361 63.100 0.045 0.000 0.801 13 P CB 0.719 32.445 31.700 0.043 0.000 1.006 14 C N -0.749 118.583 119.300 0.054 0.000 3.065 14 C HA 0.763 5.222 4.460 -0.001 0.000 0.285 14 C C 0.798 175.814 174.990 0.043 0.000 1.257 14 C CA 0.069 59.117 59.018 0.050 0.000 1.691 14 C CB -0.906 26.873 27.740 0.065 0.000 2.089 14 C HN 0.656 nan 8.230 nan 0.000 0.630 15 A N 0.457 123.304 122.820 0.045 0.000 2.564 15 A HA 0.831 5.150 4.320 -0.001 0.000 0.288 15 A C -0.257 177.355 177.584 0.046 0.000 1.164 15 A CA 0.086 52.148 52.037 0.042 0.000 0.712 15 A CB 0.091 19.117 19.000 0.043 0.000 1.303 15 A HN 1.300 nan 8.150 nan 0.000 0.418 16 A N 0.538 123.385 122.820 0.045 0.000 2.545 16 A HA 0.467 4.786 4.320 -0.001 0.000 0.253 16 A C 0.204 177.829 177.584 0.067 0.000 1.074 16 A CA 0.480 52.547 52.037 0.051 0.000 0.760 16 A CB -0.497 18.530 19.000 0.046 0.000 1.005 16 A HN 0.682 nan 8.150 nan 0.000 0.506 17 E N 0.960 121.205 120.200 0.074 0.000 2.239 17 E HA 0.631 4.980 4.350 -0.001 0.000 0.261 17 E C 0.159 176.832 176.600 0.123 0.000 1.016 17 E CA -0.098 56.361 56.400 0.098 0.000 0.882 17 E CB 1.266 31.019 29.700 0.088 0.000 1.190 17 E HN 0.803 nan 8.360 nan 0.000 0.415 18 E N 0.021 120.330 120.200 0.183 0.000 2.278 18 E HA 0.254 4.603 4.350 -0.001 0.000 0.272 18 E C -0.295 176.503 176.600 0.330 0.000 0.890 18 E CA -0.507 56.028 56.400 0.225 0.000 0.770 18 E CB 1.645 31.480 29.700 0.226 0.000 1.212 18 E HN 0.384 nan 8.360 nan 0.000 0.415 19 S N 0.076 115.938 115.700 0.270 0.000 2.554 19 S HA 0.496 4.965 4.470 -0.001 0.000 0.226 19 S C 0.680 175.502 174.600 0.371 0.000 0.980 19 S CA 1.257 59.640 58.200 0.305 0.000 0.939 19 S CB -0.492 62.830 63.200 0.203 0.000 0.832 19 S HN 1.372 nan 8.310 nan 0.000 0.486 20 K N -1.023 119.577 120.400 0.333 0.000 2.571 20 K HA 0.812 5.131 4.320 -0.001 0.000 0.289 20 K C -0.419 176.159 176.600 -0.036 0.000 1.028 20 K CA -0.170 56.262 56.287 0.243 0.000 0.895 20 K CB -0.141 32.450 32.500 0.152 0.000 1.534 20 K HN 0.811 nan 8.250 nan 0.000 0.421 37 V N 1.241 121.303 119.914 0.246 0.000 2.383 37 V HA 0.682 4.801 4.120 -0.001 0.000 0.275 37 V C -1.274 175.069 176.094 0.414 0.000 1.036 37 V CA -0.357 62.116 62.300 0.288 0.000 0.889 37 V CB 0.290 32.273 31.823 0.266 0.000 0.985 37 V HN 0.618 nan 8.190 nan 0.000 0.459 38 Y N 3.415 123.854 120.300 0.231 0.000 2.524 38 Y HA 0.960 5.510 4.550 0.001 0.000 0.344 38 Y C -0.100 175.846 175.900 0.077 0.000 1.012 38 Y CA -0.982 57.258 58.100 0.232 0.000 1.068 38 Y CB 1.743 40.301 38.460 0.164 0.000 1.249 38 Y HN 0.915 nan 8.280 nan 0.000 0.468 39 A N 1.868 124.733 122.820 0.075 0.000 2.324 39 A HA 0.609 4.928 4.320 -0.001 0.000 0.330 39 A C -0.010 177.650 177.584 0.125 0.000 1.165 39 A CA -0.438 51.483 52.037 -0.194 0.000 0.813 39 A CB 0.300 19.064 19.000 -0.394 0.000 1.197 39 A HN 0.957 nan 8.150 nan 0.000 0.484 40 T N 0.266 114.887 114.554 0.112 0.000 2.918 40 T HA 0.538 4.887 4.350 -0.001 0.000 0.302 40 T C 0.375 175.143 174.700 0.114 0.000 1.045 40 T CA 0.378 62.591 62.100 0.188 0.000 1.114 40 T CB 0.615 69.608 68.868 0.209 0.000 0.965 40 T HN 1.334 nan 8.240 nan 0.000 0.540 41 T N -1.633 112.988 114.554 0.112 0.000 2.865 41 T HA 0.479 4.828 4.350 -0.001 0.000 0.294 41 T C 1.414 176.150 174.700 0.059 0.000 1.119 41 T CA -0.313 61.836 62.100 0.082 0.000 1.007 41 T CB 1.271 70.192 68.868 0.088 0.000 1.225 41 T HN 0.628 nan 8.240 nan 0.000 0.515 42 S N 0.466 116.193 115.700 0.046 0.000 2.420 42 S HA -0.201 4.268 4.470 -0.001 0.000 0.237 42 S C 1.853 176.458 174.600 0.007 0.000 1.023 42 S CA 0.853 59.067 58.200 0.023 0.000 0.991 42 S CB -0.734 62.481 63.200 0.024 0.000 0.792 42 S HN 0.748 nan 8.310 nan 0.000 0.488 43 R N 1.706 122.218 120.500 0.019 0.000 2.139 43 R HA -0.073 4.266 4.340 -0.001 0.000 0.243 43 R C 2.258 178.554 176.300 -0.006 0.000 1.145 43 R CA 1.621 57.726 56.100 0.008 0.000 0.976 43 R CB -0.604 29.709 30.300 0.022 0.000 0.866 43 R HN 0.720 nan 8.270 nan 0.000 0.449 44 S N -0.458 115.244 115.700 0.002 0.000 2.575 44 S HA 0.231 4.701 4.470 -0.001 0.000 0.215 44 S C 1.862 176.438 174.600 -0.040 0.000 0.966 44 S CA 0.200 58.392 58.200 -0.012 0.000 0.911 44 S CB 0.733 63.941 63.200 0.014 0.000 0.780 44 S HN 0.300 nan 8.310 nan 0.000 0.514 45 A N 2.386 125.175 122.820 -0.053 0.000 1.917 45 A HA 0.084 4.403 4.320 -0.001 0.000 0.219 45 A C 2.316 179.797 177.584 -0.172 0.000 1.182 45 A CA 1.711 53.690 52.037 -0.098 0.000 0.633 45 A CB -1.729 17.210 19.000 -0.102 0.000 0.819 45 A HN 0.621 nan 8.150 nan 0.000 0.448 46 G N -0.234 108.463 108.800 -0.172 0.000 2.442 46 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.219 46 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.219 46 G C 1.536 176.336 174.900 -0.167 0.000 1.141 46 G CA 1.115 46.088 45.100 -0.212 0.000 0.763 46 G HN 0.467 nan 8.290 nan 0.000 0.554 47 L N -0.492 120.668 121.223 -0.105 0.000 2.056 47 L HA -0.013 4.326 4.340 -0.001 0.000 0.207 47 L C 2.914 179.749 176.870 -0.058 0.000 1.078 47 L CA 1.201 56.001 54.840 -0.068 0.000 0.749 47 L CB -0.344 41.688 42.059 -0.046 0.000 0.901 47 L HN 0.131 nan 8.230 nan 0.000 0.433 48 R N 0.466 120.927 120.500 -0.066 0.000 2.070 48 R HA -0.170 4.169 4.340 -0.001 0.000 0.233 48 R C 2.299 178.557 176.300 -0.070 0.000 1.137 48 R CA 1.643 57.718 56.100 -0.042 0.000 0.945 48 R CB -0.450 29.829 30.300 -0.034 0.000 0.845 48 R HN 0.342 nan 8.270 nan 0.000 0.430 49 Q N -0.015 119.661 119.800 -0.207 0.000 2.112 49 Q HA -0.220 4.120 4.340 -0.001 0.000 0.206 49 Q C 1.957 177.893 176.000 -0.106 0.000 0.987 49 Q CA 1.699 57.298 55.803 -0.341 0.000 0.858 49 Q CB -0.188 28.023 28.738 -0.879 0.000 0.905 49 Q HN 0.143 nan 8.270 nan 0.000 0.420 50 K N 1.282 121.630 120.400 -0.087 0.000 2.026 50 K HA -0.173 4.146 4.320 -0.001 0.000 0.208 50 K C 1.929 178.604 176.600 0.124 0.000 1.048 50 K CA 1.343 57.644 56.287 0.024 0.000 0.929 50 K CB -0.109 32.387 32.500 -0.005 0.000 0.713 50 K HN 0.053 nan 8.250 nan 0.000 0.439 51 K N 0.721 121.186 120.400 0.108 0.000 2.097 51 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 51 K C 1.761 178.561 176.600 0.334 0.000 1.050 51 K CA 1.374 57.763 56.287 0.170 0.000 0.938 51 K CB 0.086 32.652 32.500 0.110 0.000 0.718 51 K HN 0.131 nan 8.250 nan 0.000 0.442 52 V N -1.296 118.792 119.914 0.291 0.000 3.623 52 V HA 0.097 4.216 4.120 -0.001 0.000 0.271 52 V C 0.159 176.403 176.094 0.249 0.000 1.248 52 V CA 0.195 62.707 62.300 0.353 0.000 1.156 52 V CB 0.085 32.054 31.823 0.244 0.000 0.870 52 V HN -0.013 nan 8.190 nan 0.000 0.453 53 T N 4.322 119.075 114.554 0.332 0.000 2.753 53 T HA 0.725 5.074 4.350 -0.001 0.000 0.297 53 T C -0.749 174.139 174.700 0.314 0.000 0.981 53 T CA -0.030 62.237 62.100 0.277 0.000 0.956 53 T CB 0.183 69.313 68.868 0.436 0.000 0.936 53 T HN 0.640 nan 8.240 nan 0.000 0.463 54 F N -0.148 119.903 119.950 0.169 0.000 2.807 54 F HA 0.620 5.146 4.527 -0.002 0.000 0.316 54 F C -1.270 174.571 175.800 0.068 0.000 1.162 54 F CA -1.672 56.391 58.000 0.103 0.000 0.910 54 F CB 0.734 39.786 39.000 0.086 0.000 1.314 54 F HN 0.205 nan 8.300 nan 0.000 0.454 55 D N 0.845 121.421 120.400 0.293 0.000 2.264 55 D HA 0.447 5.086 4.640 -0.001 0.000 0.250 55 D C -0.811 175.635 176.300 0.245 0.000 1.113 55 D CA -0.121 53.979 54.000 0.166 0.000 0.871 55 D CB 0.921 41.790 40.800 0.116 0.000 1.167 55 D HN 0.540 nan 8.370 nan 0.000 0.447 56 R N 2.151 122.738 120.500 0.145 0.000 2.265 56 R HA 0.492 4.831 4.340 -0.001 0.000 0.319 56 R C -0.738 175.607 176.300 0.075 0.000 1.006 56 R CA -0.745 55.443 56.100 0.146 0.000 0.880 56 R CB 0.924 31.275 30.300 0.085 0.000 1.077 56 R HN 0.495 nan 8.270 nan 0.000 0.454 57 L N 0.904 122.167 121.223 0.067 0.000 2.313 57 L HA 0.574 4.913 4.340 -0.001 0.000 0.283 57 L C -0.888 175.993 176.870 0.020 0.000 1.013 57 L CA -0.259 54.599 54.840 0.030 0.000 0.816 57 L CB 1.667 43.738 42.059 0.021 0.000 1.236 57 L HN 0.617 nan 8.230 nan 0.000 0.419 58 Q N 3.782 123.583 119.800 0.002 0.000 2.274 58 Q HA 0.623 4.962 4.340 -0.001 0.000 0.268 58 Q C -2.090 173.895 176.000 -0.025 0.000 1.015 58 Q CA -0.758 55.040 55.803 -0.007 0.000 0.775 58 Q CB 2.496 31.223 28.738 -0.020 0.000 1.256 58 Q HN 0.712 nan 8.270 nan 0.000 0.442 59 V N 5.777 125.679 119.914 -0.019 0.000 2.409 59 V HA 0.384 4.504 4.120 -0.001 0.000 0.290 59 V C -0.173 175.927 176.094 0.010 0.000 1.017 59 V CA -0.611 61.674 62.300 -0.024 0.000 0.841 59 V CB 1.249 33.056 31.823 -0.027 0.000 1.003 59 V HN 0.782 nan 8.190 nan 0.000 0.426 60 L N 4.691 125.881 121.223 -0.054 0.000 2.439 60 L HA 0.672 5.012 4.340 -0.001 0.000 0.261 60 L C 0.042 176.937 176.870 0.041 0.000 1.153 60 L CA -0.268 54.515 54.840 -0.094 0.000 0.808 60 L CB 1.158 42.980 42.059 -0.396 0.000 1.126 60 L HN 0.786 nan 8.230 nan 0.000 0.460 61 D N -1.937 118.549 120.400 0.143 0.000 2.732 61 D HA 0.153 4.792 4.640 -0.001 0.000 0.292 61 D C -0.069 176.290 176.300 0.098 0.000 1.135 61 D CA -0.597 53.470 54.000 0.111 0.000 1.071 61 D CB 0.593 41.473 40.800 0.133 0.000 1.457 61 D HN 0.296 nan 8.370 nan 0.000 0.547 62 D N -1.323 119.069 120.400 -0.013 0.000 2.224 62 D HA -0.112 4.527 4.640 -0.001 0.000 0.205 62 D C 1.533 177.818 176.300 -0.025 0.000 0.965 62 D CA 0.935 54.905 54.000 -0.049 0.000 0.852 62 D CB -0.027 40.699 40.800 -0.122 0.000 0.947 62 D HN 0.378 nan 8.370 nan 0.000 0.494 63 H N -0.108 119.024 119.070 0.104 0.000 2.321 63 H HA -0.158 4.398 4.556 -0.001 0.000 0.300 63 H C 1.996 177.352 175.328 0.045 0.000 1.087 63 H CA 0.957 57.055 56.048 0.083 0.000 1.319 63 H CB -0.821 29.016 29.762 0.125 0.000 1.379 63 H HN 0.312 nan 8.280 nan 0.000 0.501 64 Y N 1.925 122.242 120.300 0.029 0.000 2.128 64 Y HA -0.256 4.293 4.550 -0.001 0.000 0.284 64 Y C 2.735 178.584 175.900 -0.085 0.000 1.154 64 Y CA 1.707 59.706 58.100 -0.167 0.000 1.149 64 Y CB -0.045 38.206 38.460 -0.348 0.000 0.976 64 Y HN -0.017 nan 8.280 nan 0.000 0.505 65 R N -0.012 120.579 120.500 0.152 0.000 2.096 65 R HA -0.154 4.186 4.340 -0.001 0.000 0.235 65 R C 1.746 178.037 176.300 -0.015 0.000 1.127 65 R CA 1.506 57.646 56.100 0.066 0.000 0.968 65 R CB -0.304 30.045 30.300 0.082 0.000 0.861 65 R HN 0.426 nan 8.270 nan 0.000 0.440 66 D N 0.063 120.466 120.400 0.005 0.000 2.117 66 D HA -0.108 4.531 4.640 -0.001 0.000 0.198 66 D C 1.995 178.279 176.300 -0.027 0.000 0.982 66 D CA 0.979 54.982 54.000 0.004 0.000 0.828 66 D CB -0.235 40.593 40.800 0.047 0.000 0.967 66 D HN -0.012 nan 8.370 nan 0.000 0.464 67 V N 1.293 121.169 119.914 -0.063 0.000 2.295 67 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 67 V C 2.477 178.497 176.094 -0.123 0.000 1.049 67 V CA 1.069 63.310 62.300 -0.098 0.000 1.024 67 V CB -0.476 31.248 31.823 -0.166 0.000 0.648 67 V HN 0.137 nan 8.190 nan 0.000 0.447 68 L N 0.329 121.421 121.223 -0.219 0.000 2.042 68 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 68 L C 2.366 179.177 176.870 -0.097 0.000 1.076 68 L CA 1.998 56.715 54.840 -0.205 0.000 0.749 68 L CB -0.832 41.062 42.059 -0.275 0.000 0.893 68 L HN 0.234 nan 8.230 nan 0.000 0.432 69 K N -0.450 119.911 120.400 -0.066 0.000 2.063 69 K HA -0.200 4.119 4.320 -0.001 0.000 0.208 69 K C 1.963 178.548 176.600 -0.024 0.000 1.048 69 K CA 1.957 58.224 56.287 -0.034 0.000 0.928 69 K CB -0.199 32.290 32.500 -0.019 0.000 0.713 69 K HN 0.489 nan 8.250 nan 0.000 0.442 70 E N 0.520 120.709 120.200 -0.018 0.000 2.077 70 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 70 E C 2.039 178.637 176.600 -0.003 0.000 0.989 70 E CA 1.327 57.726 56.400 -0.002 0.000 0.800 70 E CB -0.073 29.636 29.700 0.014 0.000 0.746 70 E HN 0.272 nan 8.360 nan 0.000 0.452 71 M N 0.638 120.234 119.600 -0.007 0.000 2.117 71 M HA -0.186 4.293 4.480 -0.001 0.000 0.262 71 M C 2.129 178.407 176.300 -0.037 0.000 1.065 71 M CA 1.529 56.818 55.300 -0.018 0.000 1.114 71 M CB -0.197 32.392 32.600 -0.018 0.000 1.361 71 M HN -0.050 nan 8.290 nan 0.000 0.408 72 K N 0.361 120.737 120.400 -0.039 0.000 2.097 72 K HA -0.091 4.228 4.320 -0.001 0.000 0.206 72 K C 2.147 178.733 176.600 -0.024 0.000 1.049 72 K CA 1.431 57.697 56.287 -0.034 0.000 0.933 72 K CB -0.318 32.163 32.500 -0.032 0.000 0.717 72 K HN 0.310 nan 8.250 nan 0.000 0.442 73 A N 1.987 124.795 122.820 -0.019 0.000 1.902 73 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 73 A C 1.917 179.490 177.584 -0.018 0.000 1.181 73 A CA 1.582 53.611 52.037 -0.015 0.000 0.623 73 A CB -0.290 18.704 19.000 -0.010 0.000 0.818 73 A HN 0.199 nan 8.150 nan 0.000 0.443 74 K N -0.297 120.089 120.400 -0.024 0.000 2.026 74 K HA -0.046 4.273 4.320 -0.001 0.000 0.208 74 K C 2.289 178.866 176.600 -0.038 0.000 1.048 74 K CA 1.185 57.452 56.287 -0.034 0.000 0.929 74 K CB -0.362 32.111 32.500 -0.046 0.000 0.713 74 K HN 0.420 nan 8.250 nan 0.000 0.439 75 A N 1.382 124.179 122.820 -0.038 0.000 1.978 75 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 75 A C 2.133 179.708 177.584 -0.015 0.000 1.170 75 A CA 2.064 54.084 52.037 -0.028 0.000 0.636 75 A CB -0.709 18.280 19.000 -0.018 0.000 0.810 75 A HN 0.399 nan 8.150 nan 0.000 0.448 76 S N -0.009 115.682 115.700 -0.014 0.000 2.474 76 S HA -0.121 4.349 4.470 -0.001 0.000 0.235 76 S C 1.647 176.241 174.600 -0.010 0.000 0.997 76 S CA 1.796 59.991 58.200 -0.008 0.000 0.949 76 S CB -1.046 62.149 63.200 -0.007 0.000 0.766 76 S HN 0.804 nan 8.310 nan 0.000 0.517 77 T N -0.737 113.806 114.554 -0.017 0.000 3.129 77 T HA 0.356 4.706 4.350 -0.001 0.000 0.251 77 T C 0.287 174.974 174.700 -0.022 0.000 1.117 77 T CA -0.275 61.814 62.100 -0.018 0.000 1.034 77 T CB -0.238 68.617 68.868 -0.022 0.000 0.968 77 T HN 0.153 nan 8.240 nan 0.000 0.526 78 V N 1.587 121.487 119.914 -0.022 0.000 2.427 78 V HA 0.467 4.586 4.120 -0.001 0.000 0.286 78 V C -0.037 176.047 176.094 -0.016 0.000 1.034 78 V CA -1.039 61.246 62.300 -0.026 0.000 0.893 78 V CB 1.592 33.394 31.823 -0.035 0.000 0.982 78 V HN 0.335 nan 8.190 nan 0.000 0.452 79 K N 3.335 123.725 120.400 -0.017 0.000 2.274 79 K HA 0.794 5.113 4.320 -0.001 0.000 0.262 79 K C -0.653 175.939 176.600 -0.013 0.000 0.961 79 K CA -0.349 55.932 56.287 -0.010 0.000 0.833 79 K CB 1.537 34.033 32.500 -0.008 0.000 1.102 79 K HN 0.854 nan 8.250 nan 0.000 0.436 80 A N 3.741 126.557 122.820 -0.007 0.000 2.401 80 A HA 0.534 4.853 4.320 -0.001 0.000 0.310 80 A C -1.303 176.284 177.584 0.006 0.000 1.075 80 A CA -0.929 51.103 52.037 -0.008 0.000 0.746 80 A CB 1.093 20.080 19.000 -0.021 0.000 1.277 80 A HN 0.842 nan 8.150 nan 0.000 0.425 81 K N 1.495 121.900 120.400 0.008 0.000 2.185 81 K HA 0.781 5.100 4.320 -0.001 0.000 0.240 81 K C -1.140 175.471 176.600 0.019 0.000 0.983 81 K CA -0.706 55.588 56.287 0.012 0.000 0.873 81 K CB 1.111 33.612 32.500 0.003 0.000 1.118 81 K HN 0.523 nan 8.250 nan 0.000 0.441 82 L N 2.148 123.381 121.223 0.016 0.000 2.380 82 L HA 0.155 4.494 4.340 -0.001 0.000 0.273 82 L C -0.207 176.630 176.870 -0.054 0.000 1.138 82 L CA -0.938 53.898 54.840 -0.006 0.000 0.832 82 L CB 0.461 42.515 42.059 -0.010 0.000 1.124 82 L HN 0.513 nan 8.230 nan 0.000 0.454 83 L N 2.457 123.628 121.223 -0.086 0.000 2.397 83 L HA 0.174 4.513 4.340 -0.001 0.000 0.271 83 L C 0.664 177.406 176.870 -0.214 0.000 1.148 83 L CA 0.499 55.258 54.840 -0.135 0.000 0.825 83 L CB 1.410 43.380 42.059 -0.149 0.000 1.117 83 L HN 0.746 nan 8.230 nan 0.000 0.456 84 S N 1.651 117.235 115.700 -0.193 0.000 2.608 84 S HA 0.194 4.663 4.470 -0.001 0.000 0.261 84 S C 1.325 175.755 174.600 -0.283 0.000 1.314 84 S CA -0.654 57.414 58.200 -0.221 0.000 0.992 84 S CB 0.723 63.835 63.200 -0.147 0.000 0.935 84 S HN 0.330 nan 8.310 nan 0.000 0.564 85 V N 1.454 121.172 119.914 -0.326 0.000 2.392 85 V HA -0.169 3.950 4.120 -0.001 0.000 0.249 85 V C 2.609 178.546 176.094 -0.261 0.000 1.059 85 V CA 2.398 64.474 62.300 -0.373 0.000 1.051 85 V CB -1.358 30.132 31.823 -0.555 0.000 0.658 85 V HN 0.854 nan 8.190 nan 0.000 0.455 86 E N -0.009 120.071 120.200 -0.199 0.000 2.072 86 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 86 E C 2.218 178.723 176.600 -0.158 0.000 0.985 86 E CA 1.185 57.492 56.400 -0.155 0.000 0.801 86 E CB -0.221 29.411 29.700 -0.113 0.000 0.750 86 E HN 0.670 nan 8.360 nan 0.000 0.452 87 E N 0.319 120.418 120.200 -0.170 0.000 2.051 87 E HA -0.181 4.168 4.350 -0.001 0.000 0.192 87 E C 2.075 178.537 176.600 -0.229 0.000 0.991 87 E CA 1.049 57.336 56.400 -0.188 0.000 0.799 87 E CB -0.192 29.397 29.700 -0.185 0.000 0.748 87 E HN 0.275 nan 8.360 nan 0.000 0.449 88 A N 0.721 123.403 122.820 -0.231 0.000 1.933 88 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 88 A C 2.416 179.893 177.584 -0.178 0.000 1.175 88 A CA 1.292 53.195 52.037 -0.222 0.000 0.628 88 A CB -0.903 17.976 19.000 -0.202 0.000 0.814 88 A HN 0.381 nan 8.150 nan 0.000 0.444 89 C N -0.727 118.475 119.300 -0.164 0.000 2.429 89 C HA -0.087 4.372 4.460 -0.001 0.000 0.277 89 C C 2.659 177.575 174.990 -0.123 0.000 1.262 89 C CA 1.412 60.354 59.018 -0.127 0.000 1.733 89 C CB -1.058 26.606 27.740 -0.127 0.000 2.010 89 C HN 0.618 nan 8.230 nan 0.000 0.483 90 K N 0.330 120.645 120.400 -0.142 0.000 2.288 90 K HA 0.042 4.361 4.320 -0.001 0.000 0.201 90 K C 1.343 177.851 176.600 -0.153 0.000 1.048 90 K CA 0.884 57.090 56.287 -0.134 0.000 0.956 90 K CB -0.084 32.338 32.500 -0.130 0.000 0.746 90 K HN 0.508 nan 8.250 nan 0.000 0.461 91 L N 0.628 121.735 121.223 -0.194 0.000 2.607 91 L HA 0.066 4.405 4.340 -0.001 0.000 0.228 91 L C 0.242 177.022 176.870 -0.150 0.000 1.123 91 L CA -0.106 54.604 54.840 -0.216 0.000 0.890 91 L CB 0.187 42.010 42.059 -0.393 0.000 1.103 91 L HN -0.063 nan 8.230 nan 0.000 0.468 92 T N 2.580 117.062 114.554 -0.120 0.000 2.853 92 T HA 0.146 4.495 4.350 -0.001 0.000 0.298 92 T C -2.225 172.417 174.700 -0.097 0.000 0.978 92 T CA -0.825 61.227 62.100 -0.079 0.000 1.152 92 T CB 0.581 69.419 68.868 -0.051 0.000 0.914 92 T HN -0.067 nan 8.240 nan 0.000 0.539 93 P HA 0.144 nan 4.420 nan 0.000 0.268 93 P C -1.755 175.432 177.300 -0.188 0.000 1.204 93 P CA -1.557 61.460 63.100 -0.137 0.000 0.768 93 P CB 0.193 31.834 31.700 -0.099 0.000 0.842 94 P HA -0.161 nan 4.420 nan 0.000 0.222 94 P C 0.573 177.630 177.300 -0.405 0.000 1.147 94 P CA 1.758 64.611 63.100 -0.411 0.000 0.790 94 P CB -0.064 31.266 31.700 -0.617 0.000 0.780 95 H N -1.098 117.949 119.070 -0.040 0.000 2.542 95 H HA 0.207 4.762 4.556 -0.001 0.000 0.283 95 H C 0.952 176.249 175.328 -0.052 0.000 1.059 95 H CA -0.157 55.868 56.048 -0.038 0.000 1.162 95 H CB -0.222 29.517 29.762 -0.038 0.000 1.539 95 H HN 0.176 nan 8.280 nan 0.000 0.543 96 S N 0.809 116.504 115.700 -0.008 0.000 2.584 96 S HA 0.387 4.856 4.470 -0.001 0.000 0.270 96 S C 0.772 175.347 174.600 -0.041 0.000 1.346 96 S CA -0.433 57.737 58.200 -0.050 0.000 1.018 96 S CB 1.394 64.558 63.200 -0.061 0.000 0.899 96 S HN 0.360 nan 8.310 nan 0.000 0.542 97 A N 2.178 124.942 122.820 -0.094 0.000 2.488 97 A HA 0.341 4.660 4.320 -0.001 0.000 0.249 97 A C 0.746 178.333 177.584 0.006 0.000 1.083 97 A CA -0.628 51.383 52.037 -0.044 0.000 0.768 97 A CB -0.370 18.590 19.000 -0.066 0.000 1.017 97 A HN 0.936 nan 8.150 nan 0.000 0.496 98 K N 2.229 122.630 120.400 0.003 0.000 2.440 98 K HA 0.256 4.575 4.320 -0.001 0.000 0.270 98 K C 0.398 176.950 176.600 -0.081 0.000 0.980 98 K CA 0.129 56.394 56.287 -0.037 0.000 0.953 98 K CB 0.321 32.800 32.500 -0.036 0.000 0.925 98 K HN 0.424 nan 8.250 nan 0.000 0.497 99 S N 0.430 115.979 115.700 -0.251 0.000 2.593 99 S HA 0.042 4.511 4.470 -0.001 0.000 0.269 99 S C 0.645 175.092 174.600 -0.255 0.000 1.334 99 S CA -0.513 57.502 58.200 -0.308 0.000 1.015 99 S CB 0.610 63.294 63.200 -0.861 0.000 0.912 99 S HN 0.695 nan 8.310 nan 0.000 0.541 100 K N 1.763 122.026 120.400 -0.228 0.000 2.365 100 K HA 0.031 4.350 4.320 -0.001 0.000 0.199 100 K C 0.228 176.485 176.600 -0.573 0.000 1.045 100 K CA 1.021 57.068 56.287 -0.401 0.000 0.962 100 K CB -0.093 32.091 32.500 -0.527 0.000 0.759 100 K HN 0.597 nan 8.250 nan 0.000 0.469 101 F N 0.369 120.146 119.950 -0.287 0.000 2.713 101 F HA 0.230 4.756 4.527 -0.001 0.000 0.294 101 F C 1.059 176.774 175.800 -0.143 0.000 1.152 101 F CA -0.143 57.699 58.000 -0.264 0.000 1.385 101 F CB 0.644 39.325 39.000 -0.532 0.000 0.981 101 F HN 0.091 nan 8.300 nan 0.000 0.514 102 G N 0.226 108.990 108.800 -0.060 0.000 2.130 102 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.216 102 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.216 102 G C -0.360 174.633 174.900 0.156 0.000 0.999 102 G CA 0.002 45.130 45.100 0.047 0.000 0.686 102 G HN 0.529 nan 8.290 nan 0.000 0.515 103 Y N -2.405 117.916 120.300 0.035 0.000 2.638 103 Y HA 0.799 5.348 4.550 -0.001 0.000 0.335 103 Y C 0.350 176.278 175.900 0.046 0.000 1.155 103 Y CA -1.098 57.025 58.100 0.039 0.000 1.046 103 Y CB 0.670 39.159 38.460 0.048 0.000 1.303 103 Y HN 0.700 nan 8.280 nan 0.000 0.460 104 G N -0.253 108.661 108.800 0.189 0.000 3.042 104 G HA2 0.536 4.495 3.960 -0.001 0.000 0.278 104 G HA3 0.536 4.495 3.960 -0.001 0.000 0.278 104 G C 0.277 175.273 174.900 0.161 0.000 1.371 104 G CA -0.771 44.391 45.100 0.103 0.000 1.009 104 G HN 1.206 nan 8.290 nan 0.000 0.523 105 A N -0.277 122.594 122.820 0.085 0.000 1.927 105 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 105 A C 2.132 179.737 177.584 0.034 0.000 1.185 105 A CA 2.456 54.524 52.037 0.052 0.000 0.639 105 A CB -0.511 18.488 19.000 -0.002 0.000 0.820 105 A HN 0.626 nan 8.150 nan 0.000 0.451 106 K N -0.649 119.772 120.400 0.035 0.000 2.097 106 K HA -0.186 4.133 4.320 -0.001 0.000 0.205 106 K C 1.261 177.877 176.600 0.026 0.000 1.050 106 K CA 1.599 57.896 56.287 0.017 0.000 0.938 106 K CB -0.242 32.272 32.500 0.024 0.000 0.718 106 K HN 0.468 nan 8.250 nan 0.000 0.442 107 D N 0.580 121.018 120.400 0.064 0.000 2.097 107 D HA -0.146 4.493 4.640 -0.001 0.000 0.195 107 D C 2.081 178.388 176.300 0.012 0.000 0.989 107 D CA 1.067 55.099 54.000 0.054 0.000 0.827 107 D CB -0.322 40.549 40.800 0.119 0.000 0.966 107 D HN 0.047 nan 8.370 nan 0.000 0.456 108 V N 1.428 121.370 119.914 0.048 0.000 2.231 108 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 108 V C 2.558 178.627 176.094 -0.041 0.000 1.054 108 V CA 1.822 64.120 62.300 -0.003 0.000 1.015 108 V CB -0.449 31.412 31.823 0.064 0.000 0.638 108 V HN 0.126 nan 8.190 nan 0.000 0.444 109 R N 0.002 120.482 120.500 -0.033 0.000 2.127 109 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 109 R C 1.530 177.798 176.300 -0.054 0.000 1.134 109 R CA 1.750 57.817 56.100 -0.056 0.000 0.975 109 R CB -0.325 29.939 30.300 -0.061 0.000 0.865 109 R HN 0.607 nan 8.270 nan 0.000 0.447 110 N N 0.235 118.911 118.700 -0.040 0.000 2.268 110 N HA 0.173 4.912 4.740 -0.001 0.000 0.204 110 N C -0.623 174.861 175.510 -0.043 0.000 1.124 110 N CA -0.044 52.984 53.050 -0.037 0.000 0.838 110 N CB 0.451 38.924 38.487 -0.023 0.000 0.994 110 N HN 0.021 nan 8.380 nan 0.000 0.489 111 L N 0.534 121.722 121.223 -0.059 0.000 3.597 111 L HA -0.238 4.101 4.340 -0.001 0.000 0.440 111 L C 0.091 176.923 176.870 -0.063 0.000 1.277 111 L CA -0.133 54.664 54.840 -0.070 0.000 0.852 111 L CB -2.387 39.633 42.059 -0.064 0.000 1.708 111 L HN 0.259 nan 8.230 nan 0.000 0.885 112 S N -0.417 115.243 115.700 -0.065 0.000 2.549 112 S HA 0.287 4.756 4.470 -0.001 0.000 0.283 112 S C 1.518 176.068 174.600 -0.084 0.000 1.320 112 S CA 0.011 58.175 58.200 -0.059 0.000 1.058 112 S CB 1.730 64.904 63.200 -0.043 0.000 0.882 112 S HN 0.512 nan 8.310 nan 0.000 0.498 113 S N 4.124 119.792 115.700 -0.053 0.000 2.382 113 S HA -0.180 4.289 4.470 -0.001 0.000 0.228 113 S C 1.749 176.313 174.600 -0.061 0.000 1.027 113 S CA 1.150 59.324 58.200 -0.043 0.000 0.991 113 S CB -0.609 62.581 63.200 -0.017 0.000 0.823 113 S HN 0.871 nan 8.310 nan 0.000 0.469 114 K N 1.718 122.080 120.400 -0.064 0.000 2.032 114 K HA -0.093 4.226 4.320 -0.001 0.000 0.209 114 K C 2.312 178.760 176.600 -0.254 0.000 1.048 114 K CA 1.398 57.641 56.287 -0.073 0.000 0.927 114 K CB -0.625 31.871 32.500 -0.007 0.000 0.712 114 K HN 0.472 nan 8.250 nan 0.000 0.441 115 A N 0.300 122.842 122.820 -0.463 0.000 1.897 115 A HA -0.060 4.259 4.320 -0.001 0.000 0.215 115 A C 2.229 179.545 177.584 -0.447 0.000 1.181 115 A CA 1.303 52.786 52.037 -0.922 0.000 0.620 115 A CB -0.515 18.032 19.000 -0.755 0.000 0.821 115 A HN 0.166 nan 8.150 nan 0.000 0.443 116 V N 1.073 120.833 119.914 -0.257 0.000 2.343 116 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 116 V C 2.297 178.329 176.094 -0.104 0.000 1.051 116 V CA 2.264 64.449 62.300 -0.192 0.000 1.036 116 V CB -0.972 30.785 31.823 -0.110 0.000 0.654 116 V HN 0.541 nan 8.190 nan 0.000 0.451 117 N N -0.828 117.860 118.700 -0.019 0.000 2.188 117 N HA -0.152 4.587 4.740 -0.001 0.000 0.184 117 N C 1.843 177.389 175.510 0.059 0.000 1.018 117 N CA 1.365 54.454 53.050 0.066 0.000 0.858 117 N CB -0.522 37.994 38.487 0.048 0.000 0.989 117 N HN 0.645 nan 8.380 nan 0.000 0.426 118 H N 0.395 119.416 119.070 -0.081 0.000 2.357 118 H HA 0.036 4.591 4.556 -0.001 0.000 0.301 118 H C 1.961 177.263 175.328 -0.043 0.000 1.082 118 H CA 1.043 57.056 56.048 -0.057 0.000 1.342 118 H CB 0.052 29.821 29.762 0.012 0.000 1.389 118 H HN 0.127 nan 8.280 nan 0.000 0.511 119 I N 0.416 120.869 120.570 -0.195 0.000 2.179 119 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 119 I C 2.650 178.679 176.117 -0.147 0.000 1.088 119 I CA 1.045 62.215 61.300 -0.217 0.000 1.357 119 I CB -0.482 37.389 38.000 -0.216 0.000 1.051 119 I HN 0.340 nan 8.210 nan 0.000 0.409 120 H N 0.557 119.582 119.070 -0.075 0.000 2.353 120 H HA -0.171 4.384 4.556 -0.001 0.000 0.298 120 H C 2.617 177.958 175.328 0.022 0.000 1.103 120 H CA 2.021 58.063 56.048 -0.011 0.000 1.293 120 H CB -0.407 29.337 29.762 -0.029 0.000 1.372 120 H HN 0.426 nan 8.280 nan 0.000 0.501 121 S N 0.008 115.745 115.700 0.061 0.000 2.387 121 S HA -0.067 4.403 4.470 -0.001 0.000 0.226 121 S C 2.407 176.962 174.600 -0.073 0.000 1.026 121 S CA 1.049 59.244 58.200 -0.008 0.000 0.972 121 S CB -0.764 62.419 63.200 -0.030 0.000 0.814 121 S HN 0.104 nan 8.310 nan 0.000 0.477 122 V N 1.049 120.850 119.914 -0.189 0.000 2.295 122 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 122 V C 2.236 178.333 176.094 0.005 0.000 1.049 122 V CA 1.942 64.147 62.300 -0.157 0.000 1.024 122 V CB -1.103 30.583 31.823 -0.228 0.000 0.648 122 V HN 0.699 nan 8.190 nan 0.000 0.447 123 W N 1.357 122.591 121.300 -0.111 0.000 2.335 123 W HA -0.283 4.376 4.660 -0.002 0.000 0.311 123 W C 2.614 179.110 176.519 -0.038 0.000 1.213 123 W CA 2.444 59.754 57.345 -0.058 0.000 1.274 123 W CB -0.123 29.322 29.460 -0.025 0.000 1.148 123 W HN 0.254 nan 8.180 nan 0.000 0.498 124 K N 0.578 121.029 120.400 0.086 0.000 2.063 124 K HA -0.278 4.041 4.320 -0.001 0.000 0.208 124 K C 1.736 178.275 176.600 -0.103 0.000 1.048 124 K CA 2.316 58.590 56.287 -0.021 0.000 0.928 124 K CB -0.654 31.871 32.500 0.041 0.000 0.713 124 K HN 0.014 nan 8.250 nan 0.000 0.442 125 D N 0.294 120.643 120.400 -0.084 0.000 2.117 125 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 125 D C 1.996 178.208 176.300 -0.147 0.000 0.987 125 D CA 1.059 55.001 54.000 -0.097 0.000 0.829 125 D CB 0.036 40.790 40.800 -0.077 0.000 0.961 125 D HN 0.224 nan 8.370 nan 0.000 0.460 126 L N -0.048 121.051 121.223 -0.207 0.000 2.042 126 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 126 L C 2.393 179.065 176.870 -0.329 0.000 1.076 126 L CA 0.755 55.427 54.840 -0.279 0.000 0.749 126 L CB -0.340 41.493 42.059 -0.378 0.000 0.893 126 L HN 0.254 nan 8.230 nan 0.000 0.432 127 L N -1.028 119.953 121.223 -0.403 0.000 2.217 127 L HA -0.139 4.200 4.340 -0.001 0.000 0.211 127 L C 2.108 178.866 176.870 -0.186 0.000 1.107 127 L CA 1.012 55.655 54.840 -0.328 0.000 0.783 127 L CB -0.309 41.547 42.059 -0.338 0.000 0.919 127 L HN 0.305 nan 8.230 nan 0.000 0.442 128 E N -1.075 119.035 120.200 -0.150 0.000 2.364 128 E HA -0.026 4.323 4.350 -0.001 0.000 0.196 128 E C 0.057 176.609 176.600 -0.082 0.000 0.990 128 E CA 0.068 56.411 56.400 -0.095 0.000 0.886 128 E CB 0.521 30.177 29.700 -0.072 0.000 0.866 128 E HN 0.156 nan 8.360 nan 0.000 0.493 129 D N 0.351 120.695 120.400 -0.094 0.000 2.549 129 D HA 0.047 4.686 4.640 -0.001 0.000 0.251 129 D C 0.055 176.303 176.300 -0.087 0.000 1.153 129 D CA -0.329 53.626 54.000 -0.074 0.000 0.861 129 D CB 1.490 42.255 40.800 -0.059 0.000 1.207 129 D HN -0.045 nan 8.370 nan 0.000 0.543 130 T N 0.332 114.843 114.554 -0.073 0.000 3.134 130 T HA 0.225 4.574 4.350 -0.001 0.000 0.260 130 T C 0.931 175.597 174.700 -0.056 0.000 1.027 130 T CA -0.047 62.008 62.100 -0.075 0.000 0.913 130 T CB 0.307 69.134 68.868 -0.069 0.000 1.046 130 T HN 0.153 nan 8.240 nan 0.000 0.553 131 V N 0.464 120.350 119.914 -0.046 0.000 3.159 131 V HA 0.205 4.324 4.120 -0.001 0.000 0.234 131 V C 0.857 176.938 176.094 -0.020 0.000 1.313 131 V CA 0.457 62.739 62.300 -0.029 0.000 1.271 131 V CB 0.572 32.381 31.823 -0.023 0.000 1.053 131 V HN 0.464 nan 8.190 nan 0.000 0.476 132 T N 4.200 118.741 114.554 -0.022 0.000 2.784 132 T HA 0.178 4.527 4.350 -0.001 0.000 0.291 132 T C -2.442 172.254 174.700 -0.007 0.000 0.942 132 T CA -0.523 61.573 62.100 -0.007 0.000 1.161 132 T CB 0.760 69.624 68.868 -0.007 0.000 0.885 132 T HN 0.181 nan 8.240 nan 0.000 0.534 133 P HA 0.140 nan 4.420 nan 0.000 0.265 133 P C -0.281 177.014 177.300 -0.009 0.000 1.187 133 P CA -0.015 63.090 63.100 0.009 0.000 0.766 133 P CB 0.403 32.149 31.700 0.076 0.000 0.820 134 I N 2.010 122.556 120.570 -0.039 0.000 2.437 134 I HA 0.200 4.369 4.170 -0.001 0.000 0.298 134 I C 0.693 176.789 176.117 -0.035 0.000 0.984 134 I CA -0.611 60.673 61.300 -0.027 0.000 1.214 134 I CB 1.200 39.176 38.000 -0.040 0.000 1.365 134 I HN 0.287 nan 8.210 nan 0.000 0.469 135 D N 3.997 124.394 120.400 -0.006 0.000 2.389 135 D HA 0.214 4.853 4.640 -0.001 0.000 0.247 135 D C -0.435 175.835 176.300 -0.050 0.000 1.128 135 D CA 0.213 54.199 54.000 -0.024 0.000 0.884 135 D CB 0.831 41.636 40.800 0.008 0.000 1.194 135 D HN 0.582 nan 8.370 nan 0.000 0.441 136 T N -0.237 114.257 114.554 -0.100 0.000 2.908 136 T HA 0.596 4.945 4.350 -0.001 0.000 0.290 136 T C -0.122 174.435 174.700 -0.238 0.000 1.034 136 T CA -0.967 61.035 62.100 -0.164 0.000 1.010 136 T CB 1.532 70.320 68.868 -0.134 0.000 1.068 136 T HN 0.216 nan 8.240 nan 0.000 0.481 137 T N 2.090 116.356 114.554 -0.479 0.000 2.875 137 T HA 0.589 4.939 4.350 -0.001 0.000 0.284 137 T C -0.373 174.060 174.700 -0.445 0.000 0.995 137 T CA -0.568 61.228 62.100 -0.507 0.000 1.060 137 T CB 0.667 69.066 68.868 -0.782 0.000 0.967 137 T HN 0.710 nan 8.240 nan 0.000 0.476 138 I N 3.688 124.160 120.570 -0.164 0.000 2.433 138 I HA 0.549 4.718 4.170 -0.001 0.000 0.292 138 I C -1.074 175.071 176.117 0.048 0.000 1.001 138 I CA -0.776 60.517 61.300 -0.011 0.000 1.119 138 I CB 0.782 38.834 38.000 0.088 0.000 1.289 138 I HN 0.421 nan 8.210 nan 0.000 0.438 139 M N 6.241 125.917 119.600 0.125 0.000 2.550 139 M HA 0.522 5.001 4.480 -0.001 0.000 0.292 139 M C -0.570 175.803 176.300 0.121 0.000 1.221 139 M CA -0.613 54.773 55.300 0.143 0.000 0.873 139 M CB 1.876 34.618 32.600 0.238 0.000 1.727 139 M HN 0.614 nan 8.290 nan 0.000 0.459 140 A N 1.993 124.865 122.820 0.087 0.000 2.366 140 A HA 0.448 4.767 4.320 -0.001 0.000 0.272 140 A C -0.077 177.557 177.584 0.083 0.000 1.135 140 A CA -0.359 51.721 52.037 0.073 0.000 0.804 140 A CB 0.294 19.323 19.000 0.049 0.000 1.064 140 A HN 0.783 nan 8.150 nan 0.000 0.499 141 K N 1.666 122.116 120.400 0.084 0.000 2.298 141 K HA 0.115 4.434 4.320 -0.001 0.000 0.280 141 K C -0.513 176.116 176.600 0.048 0.000 1.032 141 K CA 0.130 56.459 56.287 0.069 0.000 0.958 141 K CB 0.247 32.795 32.500 0.080 0.000 0.978 141 K HN 0.813 nan 8.250 nan 0.000 0.472 142 N N 3.507 122.214 118.700 0.012 0.000 2.589 142 N HA 0.099 4.838 4.740 -0.001 0.000 0.232 142 N C -1.352 174.082 175.510 -0.127 0.000 1.015 142 N CA -0.334 52.699 53.050 -0.028 0.000 0.931 142 N CB 0.940 39.419 38.487 -0.013 0.000 1.150 142 N HN 0.412 nan 8.380 nan 0.000 0.512 143 E N 1.030 121.133 120.200 -0.163 0.000 2.266 143 E HA 0.351 4.700 4.350 -0.001 0.000 0.268 143 E C -0.766 175.463 176.600 -0.619 0.000 0.879 143 E CA -0.940 55.240 56.400 -0.367 0.000 0.762 143 E CB 2.558 32.081 29.700 -0.295 0.000 1.199 143 E HN 0.093 nan 8.360 nan 0.000 0.422 144 V N 3.555 122.957 119.914 -0.854 0.000 2.498 144 V HA 0.356 4.476 4.120 -0.001 0.000 0.279 144 V C -0.482 174.983 176.094 -1.048 0.000 1.048 144 V CA 0.015 61.760 62.300 -0.925 0.000 0.967 144 V CB -0.185 31.075 31.823 -0.939 0.000 0.988 144 V HN 0.536 nan 8.190 nan 0.000 0.473 145 F N 2.304 121.845 119.950 -0.681 0.000 2.679 145 F HA 0.696 5.222 4.527 -0.002 0.000 0.341 145 F C 0.189 175.714 175.800 -0.458 0.000 1.095 145 F CA -0.572 57.072 58.000 -0.592 0.000 1.004 145 F CB 1.602 40.174 39.000 -0.712 0.000 1.388 145 F HN 0.530 nan 8.300 nan 0.000 0.505 146 C N 1.075 120.427 119.300 0.087 0.000 2.614 146 C HA 0.772 5.231 4.460 -0.001 0.000 0.320 146 C C 0.436 175.630 174.990 0.340 0.000 1.200 146 C CA -0.565 58.560 59.018 0.178 0.000 1.700 146 C CB 0.879 28.681 27.740 0.103 0.000 2.275 146 C HN 0.629 nan 8.230 nan 0.000 0.492 154 R N 1.904 122.271 120.500 -0.222 0.000 2.537 154 R HA 0.300 4.639 4.340 -0.001 0.000 0.280 154 R C 0.176 176.383 176.300 -0.154 0.000 1.058 154 R CA -0.040 55.836 56.100 -0.373 0.000 1.057 154 R CB 0.640 30.581 30.300 -0.598 0.000 0.973 154 R HN 0.567 nan 8.270 nan 0.000 0.438 155 K N 4.013 124.389 120.400 -0.039 0.000 2.205 155 K HA 0.343 4.662 4.320 -0.001 0.000 0.279 155 K C -2.329 174.277 176.600 0.010 0.000 1.027 155 K CA -1.806 54.443 56.287 -0.064 0.000 0.932 155 K CB 1.083 33.453 32.500 -0.216 0.000 1.032 155 K HN 0.259 nan 8.250 nan 0.000 0.466 156 P HA 0.019 nan 4.420 nan 0.000 0.272 156 P C -0.554 176.780 177.300 0.057 0.000 1.240 156 P CA -0.410 62.705 63.100 0.025 0.000 0.791 156 P CB 0.485 32.183 31.700 -0.004 0.000 0.978 157 A N 2.383 125.247 122.820 0.073 0.000 2.498 157 A HA 0.100 4.419 4.320 -0.001 0.000 0.239 157 A C 0.582 178.212 177.584 0.077 0.000 1.068 157 A CA -0.042 52.051 52.037 0.093 0.000 0.766 157 A CB -0.400 18.645 19.000 0.075 0.000 1.003 157 A HN 0.453 nan 8.150 nan 0.000 0.497 158 R N 0.680 121.244 120.500 0.107 0.000 2.539 158 R HA 0.420 4.759 4.340 -0.001 0.000 0.275 158 R C -0.678 175.682 176.300 0.101 0.000 1.077 158 R CA -0.234 55.931 56.100 0.108 0.000 1.097 158 R CB 0.479 30.860 30.300 0.135 0.000 1.018 158 R HN 0.661 nan 8.270 nan 0.000 0.483 159 L N 3.377 124.663 121.223 0.105 0.000 2.292 159 L HA 0.428 4.767 4.340 -0.001 0.000 0.284 159 L C -0.190 176.777 176.870 0.162 0.000 1.065 159 L CA -0.677 54.232 54.840 0.115 0.000 0.806 159 L CB 1.091 43.204 42.059 0.090 0.000 1.175 159 L HN 0.480 nan 8.230 nan 0.000 0.431 160 I N 3.411 124.093 120.570 0.187 0.000 2.404 160 I HA 0.434 4.604 4.170 -0.001 0.000 0.293 160 I C -0.756 175.539 176.117 0.296 0.000 0.992 160 I CA -0.287 61.162 61.300 0.249 0.000 1.149 160 I CB 1.718 39.869 38.000 0.251 0.000 1.315 160 I HN 0.210 nan 8.210 nan 0.000 0.446 161 V N 8.907 128.994 119.914 0.288 0.000 2.407 161 V HA 0.553 4.672 4.120 -0.001 0.000 0.291 161 V C -0.786 175.460 176.094 0.254 0.000 1.018 161 V CA -0.474 61.934 62.300 0.180 0.000 0.842 161 V CB 0.958 32.876 31.823 0.158 0.000 0.996 161 V HN 0.591 nan 8.190 nan 0.000 0.426 162 F N 5.083 125.082 119.950 0.083 0.000 2.601 162 F HA 0.942 5.468 4.527 -0.002 0.000 0.309 162 F C -3.025 172.817 175.800 0.071 0.000 1.089 162 F CA -2.549 55.500 58.000 0.081 0.000 0.940 162 F CB 1.832 40.878 39.000 0.076 0.000 1.273 162 F HN 0.290 nan 8.300 nan 0.000 0.450 163 P HA 0.192 nan 4.420 nan 0.000 0.284 163 P C -1.101 176.331 177.300 0.220 0.000 1.292 163 P CA -0.169 62.995 63.100 0.108 0.000 0.800 163 P CB 1.132 32.900 31.700 0.113 0.000 1.188 164 D N -1.005 119.506 120.400 0.185 0.000 2.400 164 D HA -0.038 4.601 4.640 -0.001 0.000 0.238 164 D C 1.359 177.799 176.300 0.234 0.000 1.157 164 D CA -0.290 53.848 54.000 0.231 0.000 0.889 164 D CB 0.255 41.227 40.800 0.287 0.000 1.199 164 D HN 0.089 nan 8.370 nan 0.000 0.436 165 L N 3.310 124.655 121.223 0.203 0.000 2.089 165 L HA -0.048 4.291 4.340 -0.001 0.000 0.213 165 L C 1.996 179.009 176.870 0.238 0.000 1.079 165 L CA 2.564 57.514 54.840 0.183 0.000 0.758 165 L CB -1.014 41.116 42.059 0.117 0.000 0.891 165 L HN 0.662 nan 8.230 nan 0.000 0.433 166 G N -1.493 107.501 108.800 0.323 0.000 2.402 166 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 166 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 166 G C 1.522 176.500 174.900 0.130 0.000 1.162 166 G CA 0.942 46.222 45.100 0.300 0.000 0.777 166 G HN 0.344 nan 8.290 nan 0.000 0.539 167 V N 0.809 120.804 119.914 0.134 0.000 2.407 167 V HA -0.175 3.945 4.120 -0.001 0.000 0.248 167 V C 2.899 179.068 176.094 0.124 0.000 1.055 167 V CA 1.886 64.249 62.300 0.105 0.000 1.049 167 V CB -0.467 31.414 31.823 0.098 0.000 0.662 167 V HN 0.323 nan 8.190 nan 0.000 0.455 168 R N -0.376 120.210 120.500 0.143 0.000 2.115 168 R HA -0.084 4.255 4.340 -0.001 0.000 0.230 168 R C 2.219 178.582 176.300 0.105 0.000 1.111 168 R CA 1.235 57.417 56.100 0.136 0.000 0.976 168 R CB -0.476 29.907 30.300 0.138 0.000 0.870 168 R HN 0.441 nan 8.270 nan 0.000 0.445 169 V N 0.391 120.357 119.914 0.087 0.000 2.307 169 V HA -0.285 3.835 4.120 -0.001 0.000 0.245 169 V C 2.471 178.578 176.094 0.021 0.000 1.045 169 V CA 1.540 63.858 62.300 0.030 0.000 1.024 169 V CB -0.502 31.323 31.823 0.003 0.000 0.651 169 V HN 0.427 nan 8.190 nan 0.000 0.449 170 C N 0.001 119.347 119.300 0.077 0.000 2.411 170 C HA -0.157 4.302 4.460 -0.001 0.000 0.279 170 C C 2.670 177.806 174.990 0.243 0.000 1.288 170 C CA 0.981 60.113 59.018 0.190 0.000 1.764 170 C CB -1.094 26.830 27.740 0.307 0.000 1.974 170 C HN 0.624 nan 8.230 nan 0.000 0.498 171 E N 0.664 120.973 120.200 0.181 0.000 2.077 171 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 171 E C 2.217 178.917 176.600 0.167 0.000 0.989 171 E CA 1.022 57.541 56.400 0.199 0.000 0.800 171 E CB -0.116 29.711 29.700 0.211 0.000 0.746 171 E HN 0.625 nan 8.360 nan 0.000 0.452 172 K N 0.319 120.792 120.400 0.122 0.000 2.057 172 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 172 K C 2.198 178.834 176.600 0.060 0.000 1.049 172 K CA 1.333 57.689 56.287 0.114 0.000 0.931 172 K CB -0.148 32.373 32.500 0.035 0.000 0.714 172 K HN 0.131 nan 8.250 nan 0.000 0.440 173 M N 0.368 119.949 119.600 -0.032 0.000 2.065 173 M HA -0.207 4.272 4.480 -0.001 0.000 0.259 173 M C 2.442 178.734 176.300 -0.012 0.000 1.069 173 M CA 1.953 57.150 55.300 -0.173 0.000 1.110 173 M CB -0.389 31.877 32.600 -0.557 0.000 1.328 173 M HN 0.214 nan 8.290 nan 0.000 0.405 174 A N -0.715 122.227 122.820 0.202 0.000 1.968 174 A HA 0.017 4.337 4.320 -0.001 0.000 0.217 174 A C 1.848 179.513 177.584 0.136 0.000 1.169 174 A CA 1.277 53.495 52.037 0.301 0.000 0.638 174 A CB -0.235 18.994 19.000 0.381 0.000 0.812 174 A HN 0.523 nan 8.150 nan 0.000 0.446 175 L N -3.456 117.824 121.223 0.094 0.000 3.360 175 L HA 0.193 4.532 4.340 -0.001 0.000 0.303 175 L C 1.707 178.557 176.870 -0.034 0.000 1.218 175 L CA -0.014 54.817 54.840 -0.016 0.000 1.059 175 L CB 0.138 42.169 42.059 -0.046 0.000 1.468 175 L HN 0.455 nan 8.230 nan 0.000 0.614 176 Y N 1.404 121.666 120.300 -0.062 0.000 2.145 176 Y HA -0.309 4.240 4.550 -0.002 0.000 0.286 176 Y C 2.216 178.066 175.900 -0.084 0.000 1.145 176 Y CA 2.293 60.350 58.100 -0.073 0.000 1.148 176 Y CB 0.206 38.628 38.460 -0.064 0.000 0.981 176 Y HN 0.202 nan 8.280 nan 0.000 0.507 177 D N -0.641 119.814 120.400 0.093 0.000 2.178 177 D HA -0.170 4.470 4.640 -0.001 0.000 0.201 177 D C 2.123 178.351 176.300 -0.119 0.000 0.980 177 D CA 1.427 55.427 54.000 -0.000 0.000 0.842 177 D CB -0.143 40.680 40.800 0.039 0.000 0.948 177 D HN 0.281 nan 8.370 nan 0.000 0.472 178 V N 0.302 120.130 119.914 -0.143 0.000 2.307 178 V HA -0.196 3.923 4.120 -0.001 0.000 0.245 178 V C 2.670 178.605 176.094 -0.266 0.000 1.045 178 V CA 1.698 63.879 62.300 -0.199 0.000 1.024 178 V CB -0.619 31.041 31.823 -0.272 0.000 0.651 178 V HN 0.315 nan 8.190 nan 0.000 0.449 179 V N -0.387 119.333 119.914 -0.323 0.000 2.809 179 V HA -0.052 4.067 4.120 -0.001 0.000 0.256 179 V C 2.141 178.055 176.094 -0.300 0.000 1.080 179 V CA 1.825 63.940 62.300 -0.308 0.000 1.102 179 V CB -0.564 31.087 31.823 -0.285 0.000 0.705 179 V HN 0.618 nan 8.190 nan 0.000 0.475 180 S N -1.468 114.007 115.700 -0.375 0.000 2.575 180 S HA 0.117 4.586 4.470 -0.001 0.000 0.215 180 S C 1.339 175.810 174.600 -0.215 0.000 0.966 180 S CA 0.629 58.627 58.200 -0.337 0.000 0.911 180 S CB 0.181 63.056 63.200 -0.542 0.000 0.780 180 S HN 0.618 nan 8.310 nan 0.000 0.514 181 T N 1.138 115.569 114.554 -0.205 0.000 3.176 181 T HA 0.326 4.676 4.350 -0.001 0.000 0.259 181 T C 1.375 175.964 174.700 -0.185 0.000 0.978 181 T CA 0.203 62.207 62.100 -0.160 0.000 1.050 181 T CB -0.313 68.484 68.868 -0.119 0.000 1.136 181 T HN 0.261 nan 8.240 nan 0.000 0.465 182 L N 2.169 123.277 121.223 -0.191 0.000 2.027 182 L HA 0.059 4.398 4.340 -0.001 0.000 0.206 182 L C -1.068 175.643 176.870 -0.265 0.000 1.074 182 L CA 1.349 56.087 54.840 -0.170 0.000 0.745 182 L CB -0.725 41.281 42.059 -0.087 0.000 0.898 182 L HN 0.118 nan 8.230 nan 0.000 0.433 183 P HA -0.238 nan 4.420 nan 0.000 0.215 183 P C 1.302 178.143 177.300 -0.764 0.000 1.153 183 P CA 1.467 64.162 63.100 -0.675 0.000 0.853 183 P CB -0.015 31.014 31.700 -1.118 0.000 0.788 184 Q N -0.274 119.101 119.800 -0.709 0.000 2.124 184 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 184 Q C 1.850 177.705 176.000 -0.242 0.000 0.977 184 Q CA 1.439 57.024 55.803 -0.363 0.000 0.850 184 Q CB -0.678 27.956 28.738 -0.174 0.000 0.901 184 Q HN -0.017 nan 8.270 nan 0.000 0.429 185 V N -0.600 119.181 119.914 -0.222 0.000 2.379 185 V HA -0.190 3.929 4.120 -0.001 0.000 0.245 185 V C 2.108 178.104 176.094 -0.163 0.000 1.044 185 V CA 1.414 63.621 62.300 -0.155 0.000 1.036 185 V CB -0.133 31.616 31.823 -0.122 0.000 0.664 185 V HN 0.275 nan 8.190 nan 0.000 0.453 186 V N -0.834 118.951 119.914 -0.215 0.000 2.407 186 V HA -0.139 3.980 4.120 -0.001 0.000 0.245 186 V C 2.008 177.916 176.094 -0.311 0.000 1.041 186 V CA 1.938 64.108 62.300 -0.217 0.000 1.040 186 V CB -0.375 31.317 31.823 -0.217 0.000 0.671 186 V HN 0.461 nan 8.190 nan 0.000 0.455 187 M N -1.125 118.225 119.600 -0.418 0.000 2.382 187 M HA 0.357 4.836 4.480 -0.001 0.000 0.247 187 M C 1.507 177.659 176.300 -0.247 0.000 1.104 187 M CA 0.720 55.686 55.300 -0.556 0.000 1.030 187 M CB 0.456 32.634 32.600 -0.703 0.000 1.424 187 M HN 0.453 nan 8.290 nan 0.000 0.486 188 G N 1.707 110.399 108.800 -0.179 0.000 2.634 188 G HA2 -0.420 3.539 3.960 -0.001 0.000 0.309 188 G HA3 -0.420 3.539 3.960 -0.001 0.000 0.309 188 G C 0.910 175.739 174.900 -0.118 0.000 1.265 188 G CA 1.077 46.112 45.100 -0.108 0.000 0.998 188 G HN 0.535 nan 8.290 nan 0.000 0.551 189 S N -0.676 114.964 115.700 -0.100 0.000 2.469 189 S HA 0.018 4.487 4.470 -0.001 0.000 0.238 189 S C 2.190 176.561 174.600 -0.382 0.000 0.998 189 S CA 2.059 60.116 58.200 -0.239 0.000 0.957 189 S CB -0.233 62.889 63.200 -0.131 0.000 0.764 189 S HN 1.115 nan 8.310 nan 0.000 0.514 190 S N 0.182 115.817 115.700 -0.108 0.000 2.561 190 S HA 0.112 4.582 4.470 -0.001 0.000 0.225 190 S C 0.228 174.823 174.600 -0.008 0.000 0.977 190 S CA -0.154 58.057 58.200 0.018 0.000 0.926 190 S CB -0.463 62.877 63.200 0.233 0.000 0.769 190 S HN 0.697 nan 8.310 nan 0.000 0.533 191 Y N 3.514 123.663 120.300 -0.252 0.000 2.640 191 Y HA 0.453 5.002 4.550 -0.001 0.000 0.355 191 Y C 1.314 177.012 175.900 -0.335 0.000 1.088 191 Y CA -1.562 56.378 58.100 -0.267 0.000 1.443 191 Y CB -0.340 37.958 38.460 -0.269 0.000 1.224 191 Y HN 0.084 nan 8.280 nan 0.000 0.516 192 G N 4.586 113.079 108.800 -0.512 0.000 2.469 192 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.220 192 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.220 192 G C 1.301 175.777 174.900 -0.707 0.000 1.136 192 G CA 0.590 45.380 45.100 -0.516 0.000 0.759 192 G HN 0.711 nan 8.290 nan 0.000 0.562 193 F N 1.308 120.713 119.950 -0.908 0.000 2.604 193 F HA -0.006 4.520 4.527 -0.002 0.000 0.298 193 F C 2.939 178.334 175.800 -0.674 0.000 1.131 193 F CA 1.037 58.589 58.000 -0.746 0.000 1.457 193 F CB 0.086 38.653 39.000 -0.722 0.000 1.095 193 F HN 0.319 nan 8.300 nan 0.000 0.574 194 Q N -0.217 119.181 119.800 -0.669 0.000 2.435 194 Q HA -0.075 4.264 4.340 -0.001 0.000 0.207 194 Q C -0.465 175.270 176.000 -0.441 0.000 0.956 194 Q CA 0.721 56.223 55.803 -0.501 0.000 0.917 194 Q CB -0.342 28.069 28.738 -0.546 0.000 0.997 194 Q HN 0.413 nan 8.270 nan 0.000 0.497 195 Y N 1.892 122.061 120.300 -0.219 0.000 2.342 195 Y HA 0.269 4.819 4.550 -0.002 0.000 0.334 195 Y C 0.742 176.560 175.900 -0.137 0.000 1.067 195 Y CA -1.060 56.947 58.100 -0.156 0.000 1.128 195 Y CB 1.475 39.853 38.460 -0.136 0.000 1.200 195 Y HN 0.095 nan 8.280 nan 0.000 0.464 196 S N 2.502 118.250 115.700 0.080 0.000 2.606 196 S HA 0.145 4.614 4.470 -0.001 0.000 0.257 196 S C -2.021 172.645 174.600 0.109 0.000 1.327 196 S CA -0.982 57.271 58.200 0.089 0.000 0.984 196 S CB 1.001 64.227 63.200 0.043 0.000 0.941 196 S HN 0.450 nan 8.310 nan 0.000 0.576 197 P HA 0.060 nan 4.420 nan 0.000 0.216 197 P C 1.703 179.049 177.300 0.077 0.000 1.153 197 P CA 1.548 64.699 63.100 0.085 0.000 0.848 197 P CB -0.514 31.236 31.700 0.085 0.000 0.787 198 G N -0.338 108.523 108.800 0.101 0.000 2.408 198 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 198 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 198 G C 1.545 176.462 174.900 0.029 0.000 1.150 198 G CA 0.516 45.669 45.100 0.089 0.000 0.776 198 G HN 0.297 nan 8.290 nan 0.000 0.542 199 Q N -0.527 119.286 119.800 0.021 0.000 2.119 199 Q HA 0.020 4.359 4.340 -0.001 0.000 0.201 199 Q C 2.601 178.442 176.000 -0.265 0.000 0.972 199 Q CA 0.831 56.619 55.803 -0.026 0.000 0.847 199 Q CB -0.130 28.688 28.738 0.134 0.000 0.903 199 Q HN 0.440 nan 8.270 nan 0.000 0.433 200 R N 0.390 120.752 120.500 -0.229 0.000 2.083 200 R HA -0.154 4.185 4.340 -0.001 0.000 0.237 200 R C 2.114 178.302 176.300 -0.185 0.000 1.137 200 R CA 1.402 57.311 56.100 -0.318 0.000 0.951 200 R CB -0.266 29.987 30.300 -0.077 0.000 0.851 200 R HN 0.105 nan 8.270 nan 0.000 0.434 201 V N 1.418 121.272 119.914 -0.099 0.000 2.332 201 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 201 V C 2.381 178.405 176.094 -0.118 0.000 1.055 201 V CA 2.310 64.558 62.300 -0.087 0.000 1.038 201 V CB -0.568 31.246 31.823 -0.015 0.000 0.651 201 V HN 0.516 nan 8.190 nan 0.000 0.450 202 E N -0.617 119.528 120.200 -0.091 0.000 2.072 202 E HA -0.247 4.102 4.350 -0.001 0.000 0.191 202 E C 2.143 178.694 176.600 -0.082 0.000 0.985 202 E CA 1.401 57.756 56.400 -0.074 0.000 0.801 202 E CB -0.201 29.483 29.700 -0.027 0.000 0.750 202 E HN 0.524 nan 8.360 nan 0.000 0.452 203 F N 1.450 121.224 119.950 -0.294 0.000 2.075 203 F HA -0.162 4.364 4.527 -0.002 0.000 0.297 203 F C 1.931 177.618 175.800 -0.188 0.000 1.113 203 F CA 1.406 59.239 58.000 -0.279 0.000 1.218 203 F CB -0.441 38.249 39.000 -0.516 0.000 0.984 203 F HN 0.013 nan 8.300 nan 0.000 0.472 204 L N -0.788 120.266 121.223 -0.281 0.000 2.017 204 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 204 L C 2.404 179.110 176.870 -0.274 0.000 1.073 204 L CA 1.296 55.948 54.840 -0.313 0.000 0.745 204 L CB -0.911 41.029 42.059 -0.198 0.000 0.894 204 L HN -0.003 nan 8.230 nan 0.000 0.432 205 V N -0.015 119.733 119.914 -0.277 0.000 2.295 205 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 205 V C 2.197 178.171 176.094 -0.199 0.000 1.049 205 V CA 1.844 63.957 62.300 -0.312 0.000 1.024 205 V CB -0.694 30.793 31.823 -0.561 0.000 0.648 205 V HN 0.477 nan 8.190 nan 0.000 0.447 206 N N 0.004 118.585 118.700 -0.198 0.000 2.166 206 N HA -0.127 4.612 4.740 -0.001 0.000 0.186 206 N C 1.903 177.312 175.510 -0.168 0.000 1.019 206 N CA 1.840 54.803 53.050 -0.145 0.000 0.856 206 N CB -0.559 37.869 38.487 -0.098 0.000 0.993 206 N HN 0.461 nan 8.380 nan 0.000 0.426 207 T N 0.381 114.763 114.554 -0.288 0.000 2.737 207 T HA -0.130 4.220 4.350 -0.001 0.000 0.265 207 T C 1.503 176.118 174.700 -0.141 0.000 1.038 207 T CA 0.600 62.520 62.100 -0.300 0.000 1.144 207 T CB -0.227 68.300 68.868 -0.567 0.000 0.866 207 T HN 0.418 nan 8.240 nan 0.000 0.434 208 W N 2.309 123.444 121.300 -0.275 0.000 2.335 208 W HA -0.112 4.547 4.660 -0.001 0.000 0.311 208 W C 1.772 178.200 176.519 -0.152 0.000 1.213 208 W CA 1.275 58.499 57.345 -0.202 0.000 1.274 208 W CB -0.166 29.169 29.460 -0.209 0.000 1.148 208 W HN 0.254 nan 8.180 nan 0.000 0.498 209 K N 0.193 120.596 120.400 0.005 0.000 2.365 209 K HA -0.106 4.213 4.320 -0.001 0.000 0.199 209 K C 2.111 178.651 176.600 -0.100 0.000 1.045 209 K CA 1.415 57.675 56.287 -0.044 0.000 0.962 209 K CB -0.212 32.282 32.500 -0.011 0.000 0.759 209 K HN 0.058 nan 8.250 nan 0.000 0.469 210 S N 0.559 116.189 115.700 -0.117 0.000 2.522 210 S HA 0.011 4.481 4.470 -0.001 0.000 0.227 210 S C 0.527 175.046 174.600 -0.134 0.000 0.986 210 S CA 0.224 58.359 58.200 -0.108 0.000 0.929 210 S CB 0.047 63.188 63.200 -0.098 0.000 0.769 210 S HN -0.034 nan 8.310 nan 0.000 0.529 211 K N 1.784 122.062 120.400 -0.204 0.000 2.143 211 K HA 0.371 4.690 4.320 -0.001 0.000 0.272 211 K C 0.444 176.921 176.600 -0.205 0.000 1.001 211 K CA -0.355 55.799 56.287 -0.222 0.000 0.915 211 K CB 1.183 33.490 32.500 -0.321 0.000 1.047 211 K HN 0.145 nan 8.250 nan 0.000 0.458 212 K N 1.005 121.316 120.400 -0.148 0.000 2.025 212 K HA -0.027 4.292 4.320 -0.001 0.000 0.207 212 K C 0.215 176.736 176.600 -0.131 0.000 1.049 212 K CA 1.090 57.308 56.287 -0.115 0.000 0.933 212 K CB 0.170 32.623 32.500 -0.078 0.000 0.714 212 K HN 0.451 nan 8.250 nan 0.000 0.438 213 N N 1.526 120.138 118.700 -0.147 0.000 2.716 213 N HA 0.195 4.935 4.740 -0.001 0.000 0.253 213 N C -2.880 172.501 175.510 -0.215 0.000 1.170 213 N CA -1.138 51.828 53.050 -0.141 0.000 0.807 213 N CB 1.686 40.129 38.487 -0.073 0.000 1.183 213 N HN 0.015 nan 8.380 nan 0.000 0.524 214 P HA 0.135 nan 4.420 nan 0.000 0.271 214 P C -0.292 176.693 177.300 -0.526 0.000 1.216 214 P CA -0.233 62.404 63.100 -0.773 0.000 0.771 214 P CB 1.222 31.826 31.700 -1.826 0.000 0.864 215 M N 2.401 121.790 119.600 -0.352 0.000 2.518 215 M HA 0.707 5.186 4.480 -0.001 0.000 0.300 215 M C -0.943 175.329 176.300 -0.048 0.000 1.175 215 M CA -0.369 54.823 55.300 -0.180 0.000 0.890 215 M CB 2.456 35.011 32.600 -0.075 0.000 1.710 215 M HN 0.602 nan 8.290 nan 0.000 0.453 216 G N 3.074 111.939 108.800 0.108 0.000 2.684 216 G HA2 0.808 4.767 3.960 -0.001 0.000 0.290 216 G HA3 0.808 4.767 3.960 -0.001 0.000 0.290 216 G C -2.121 172.856 174.900 0.129 0.000 1.425 216 G CA -0.678 44.495 45.100 0.121 0.000 0.822 216 G HN 0.870 nan 8.290 nan 0.000 0.482 217 F N -0.623 119.289 119.950 -0.063 0.000 2.678 217 F HA 0.774 5.300 4.527 -0.002 0.000 0.308 217 F C -0.276 175.496 175.800 -0.046 0.000 1.118 217 F CA -1.208 56.746 58.000 -0.076 0.000 0.959 217 F CB 1.407 40.344 39.000 -0.104 0.000 1.305 217 F HN 0.686 nan 8.300 nan 0.000 0.443 218 S N 1.575 117.378 115.700 0.172 0.000 2.578 218 S HA 0.683 5.152 4.470 -0.001 0.000 0.283 218 S C -1.432 173.380 174.600 0.354 0.000 1.195 218 S CA -0.558 57.718 58.200 0.127 0.000 1.050 218 S CB 1.685 64.925 63.200 0.067 0.000 1.012 218 S HN 0.878 nan 8.310 nan 0.000 0.511 219 Y N 0.759 121.165 120.300 0.176 0.000 2.499 219 Y HA 0.585 5.134 4.550 -0.001 0.000 0.347 219 Y C -1.067 174.926 175.900 0.154 0.000 0.987 219 Y CA -0.599 57.643 58.100 0.237 0.000 1.044 219 Y CB 1.928 40.619 38.460 0.385 0.000 1.245 219 Y HN 0.886 nan 8.280 nan 0.000 0.461 220 D N 2.984 123.394 120.400 0.017 0.000 2.990 220 D HA 0.196 4.836 4.640 -0.001 0.000 0.227 220 D C -1.464 174.841 176.300 0.009 0.000 1.249 220 D CA -0.276 53.774 54.000 0.083 0.000 0.891 220 D CB 2.408 43.232 40.800 0.040 0.000 1.647 220 D HN 0.568 nan 8.370 nan 0.000 0.530 221 T N 2.451 117.143 114.554 0.232 0.000 2.856 221 T HA 0.208 4.557 4.350 -0.001 0.000 0.292 221 T C 0.528 175.364 174.700 0.226 0.000 0.980 221 T CA -0.389 61.902 62.100 0.318 0.000 1.091 221 T CB 0.961 70.216 68.868 0.645 0.000 0.936 221 T HN 0.236 nan 8.240 nan 0.000 0.503 222 R N 2.097 122.687 120.500 0.150 0.000 2.343 222 R HA 0.177 4.516 4.340 -0.001 0.000 0.326 222 R C -0.310 176.109 176.300 0.197 0.000 1.055 222 R CA -0.210 55.957 56.100 0.112 0.000 0.961 222 R CB -0.778 29.533 30.300 0.019 0.000 0.978 222 R HN 0.931 nan 8.270 nan 0.000 0.443 223 C N 5.466 124.911 119.300 0.241 0.000 3.690 223 C HA -0.158 4.301 4.460 -0.001 0.000 0.295 223 C C 1.242 176.448 174.990 0.361 0.000 1.283 223 C CA 0.098 59.310 59.018 0.323 0.000 2.212 223 C CB -2.996 25.002 27.740 0.431 0.000 1.407 223 C HN 1.010 nan 8.230 nan 0.000 0.595 224 F N 1.929 122.011 119.950 0.220 0.000 2.069 224 F HA -0.141 4.385 4.527 -0.002 0.000 0.298 224 F C 1.949 177.870 175.800 0.201 0.000 1.113 224 F CA 2.389 60.517 58.000 0.213 0.000 1.214 224 F CB -0.068 39.048 39.000 0.194 0.000 0.978 224 F HN 0.445 nan 8.300 nan 0.000 0.474 225 D N -0.349 120.212 120.400 0.268 0.000 2.133 225 D HA -0.176 4.463 4.640 -0.001 0.000 0.195 225 D C 2.453 178.762 176.300 0.015 0.000 0.997 225 D CA 1.752 55.841 54.000 0.147 0.000 0.840 225 D CB -0.474 40.462 40.800 0.228 0.000 0.947 225 D HN 0.258 nan 8.370 nan 0.000 0.452 226 S N -0.665 115.083 115.700 0.080 0.000 2.428 226 S HA -0.100 4.369 4.470 -0.001 0.000 0.230 226 S C 2.015 176.563 174.600 -0.088 0.000 1.014 226 S CA 1.350 59.515 58.200 -0.058 0.000 0.957 226 S CB -0.242 62.916 63.200 -0.069 0.000 0.784 226 S HN 0.523 nan 8.310 nan 0.000 0.499 227 T N -0.101 114.480 114.554 0.045 0.000 3.072 227 T HA 0.086 4.436 4.350 -0.001 0.000 0.266 227 T C 0.637 175.248 174.700 -0.148 0.000 1.127 227 T CA 0.130 62.251 62.100 0.036 0.000 1.107 227 T CB -0.487 68.395 68.868 0.022 0.000 0.910 227 T HN 0.052 nan 8.240 nan 0.000 0.513 228 V N 3.912 123.669 119.914 -0.262 0.000 2.470 228 V HA 0.320 4.439 4.120 -0.001 0.000 0.276 228 V C 1.143 177.162 176.094 -0.125 0.000 1.040 228 V CA -0.357 61.807 62.300 -0.227 0.000 1.008 228 V CB 0.189 31.881 31.823 -0.217 0.000 0.990 228 V HN 0.703 nan 8.190 nan 0.000 0.477 229 T N 0.904 115.410 114.554 -0.080 0.000 2.881 229 T HA 0.281 4.630 4.350 -0.001 0.000 0.278 229 T C 1.066 175.742 174.700 -0.040 0.000 0.982 229 T CA -0.314 61.751 62.100 -0.059 0.000 0.989 229 T CB 1.459 70.303 68.868 -0.039 0.000 1.058 229 T HN 0.706 nan 8.240 nan 0.000 0.529 230 E N 0.476 120.655 120.200 -0.035 0.000 2.085 230 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 230 E C 1.858 178.456 176.600 -0.005 0.000 0.994 230 E CA 1.572 57.963 56.400 -0.015 0.000 0.801 230 E CB -0.205 29.487 29.700 -0.014 0.000 0.743 230 E HN 0.721 nan 8.360 nan 0.000 0.453 231 N N 0.788 119.482 118.700 -0.010 0.000 2.120 231 N HA -0.164 4.575 4.740 -0.001 0.000 0.188 231 N C 1.377 176.895 175.510 0.014 0.000 1.024 231 N CA 1.756 54.805 53.050 -0.003 0.000 0.852 231 N CB -0.139 38.338 38.487 -0.017 0.000 1.003 231 N HN 0.163 nan 8.380 nan 0.000 0.424 232 D N -0.022 120.386 120.400 0.013 0.000 2.104 232 D HA -0.111 4.528 4.640 -0.001 0.000 0.194 232 D C 1.926 178.235 176.300 0.016 0.000 0.994 232 D CA 0.886 54.907 54.000 0.035 0.000 0.830 232 D CB -0.260 40.551 40.800 0.018 0.000 0.959 232 D HN 0.391 nan 8.370 nan 0.000 0.452 233 I N 0.440 121.016 120.570 0.009 0.000 2.394 233 I HA -0.181 3.989 4.170 -0.001 0.000 0.251 233 I C 2.380 178.504 176.117 0.013 0.000 1.136 233 I CA 0.901 62.212 61.300 0.018 0.000 1.425 233 I CB 0.007 38.036 38.000 0.049 0.000 1.079 233 I HN -0.099 nan 8.210 nan 0.000 0.425 234 R N -0.295 120.212 120.500 0.013 0.000 2.153 234 R HA -0.030 4.309 4.340 -0.001 0.000 0.218 234 R C 2.274 178.560 176.300 -0.023 0.000 1.072 234 R CA 0.739 56.843 56.100 0.007 0.000 0.990 234 R CB -0.215 30.092 30.300 0.012 0.000 0.889 234 R HN 0.199 nan 8.270 nan 0.000 0.452 235 V N 1.383 121.285 119.914 -0.019 0.000 2.358 235 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 235 V C 1.893 177.909 176.094 -0.130 0.000 1.047 235 V CA 1.787 64.067 62.300 -0.032 0.000 1.035 235 V CB -0.306 31.540 31.823 0.039 0.000 0.658 235 V HN 0.318 nan 8.190 nan 0.000 0.452 236 E N -0.369 119.723 120.200 -0.180 0.000 2.077 236 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 236 E C 2.361 178.552 176.600 -0.682 0.000 0.989 236 E CA 1.329 57.473 56.400 -0.426 0.000 0.800 236 E CB -0.177 29.304 29.700 -0.364 0.000 0.746 236 E HN 0.544 nan 8.360 nan 0.000 0.452 237 E N 0.652 120.663 120.200 -0.315 0.000 2.110 237 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 237 E C 2.103 178.647 176.600 -0.095 0.000 0.988 237 E CA 1.577 57.907 56.400 -0.118 0.000 0.804 237 E CB 0.016 29.750 29.700 0.058 0.000 0.745 237 E HN 0.248 nan 8.360 nan 0.000 0.458 238 S N 0.228 115.867 115.700 -0.101 0.000 2.402 238 S HA -0.091 4.378 4.470 -0.001 0.000 0.229 238 S C 2.202 176.761 174.600 -0.070 0.000 1.021 238 S CA 0.777 58.945 58.200 -0.053 0.000 0.974 238 S CB -0.543 62.634 63.200 -0.038 0.000 0.800 238 S HN 0.271 nan 8.310 nan 0.000 0.484 239 I N 0.601 121.079 120.570 -0.154 0.000 2.142 239 I HA -0.205 3.964 4.170 -0.001 0.000 0.240 239 I C 2.442 178.545 176.117 -0.024 0.000 1.078 239 I CA 1.814 63.034 61.300 -0.134 0.000 1.343 239 I CB -0.639 37.231 38.000 -0.217 0.000 1.046 239 I HN 0.303 nan 8.210 nan 0.000 0.405 240 Y N 0.522 120.814 120.300 -0.013 0.000 2.207 240 Y HA -0.252 4.297 4.550 -0.002 0.000 0.287 240 Y C 2.665 178.565 175.900 -0.001 0.000 1.156 240 Y CA 0.263 58.357 58.100 -0.010 0.000 1.182 240 Y CB -0.271 38.194 38.460 0.009 0.000 0.979 240 Y HN 0.248 nan 8.280 nan 0.000 0.521 241 Q N -0.814 119.074 119.800 0.148 0.000 2.488 241 Q HA -0.106 4.233 4.340 -0.001 0.000 0.211 241 Q C 2.139 178.170 176.000 0.051 0.000 0.967 241 Q CA 0.619 56.474 55.803 0.087 0.000 0.926 241 Q CB -0.398 28.377 28.738 0.061 0.000 0.992 241 Q HN 0.557 nan 8.270 nan 0.000 0.506 242 C N 0.200 119.525 119.300 0.041 0.000 2.448 242 C HA -0.003 4.456 4.460 -0.001 0.000 0.280 242 C C 1.520 176.523 174.990 0.023 0.000 1.398 242 C CA -0.712 58.318 59.018 0.021 0.000 1.774 242 C CB -0.640 27.102 27.740 0.004 0.000 1.888 242 C HN 0.413 nan 8.230 nan 0.000 0.519 243 C N 2.032 121.355 119.300 0.038 0.000 2.703 243 C HA 0.070 4.529 4.460 -0.001 0.000 0.411 243 C C 0.619 175.623 174.990 0.023 0.000 1.290 243 C CA -0.138 58.896 59.018 0.027 0.000 2.054 243 C CB -0.346 27.414 27.740 0.033 0.000 2.732 243 C HN 0.499 nan 8.230 nan 0.000 0.650 244 D N 2.184 122.591 120.400 0.013 0.000 2.383 244 D HA 0.366 5.005 4.640 -0.001 0.000 0.245 244 D C -0.428 175.882 176.300 0.017 0.000 1.263 244 D CA 0.379 54.387 54.000 0.013 0.000 0.936 244 D CB -0.122 40.682 40.800 0.006 0.000 1.053 244 D HN 0.376 nan 8.370 nan 0.000 0.507 245 L N 1.922 123.160 121.223 0.025 0.000 2.319 245 L HA 0.671 5.011 4.340 -0.001 0.000 0.267 245 L C 0.589 177.481 176.870 0.036 0.000 1.011 245 L CA -1.461 53.399 54.840 0.034 0.000 0.818 245 L CB 1.718 43.805 42.059 0.046 0.000 1.316 245 L HN 0.277 nan 8.230 nan 0.000 0.432 246 A N 1.827 124.673 122.820 0.045 0.000 2.445 246 A HA 0.355 4.674 4.320 -0.001 0.000 0.242 246 A C -1.755 175.862 177.584 0.054 0.000 1.075 246 A CA -0.989 51.078 52.037 0.049 0.000 0.777 246 A CB -0.096 18.941 19.000 0.060 0.000 1.013 246 A HN 0.613 nan 8.150 nan 0.000 0.493 247 P HA -0.198 nan 4.420 nan 0.000 0.216 247 P C 1.159 178.484 177.300 0.041 0.000 1.154 247 P CA 1.714 64.835 63.100 0.035 0.000 0.865 247 P CB 0.184 31.900 31.700 0.027 0.000 0.789 248 E N -0.927 119.317 120.200 0.074 0.000 2.106 248 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 248 E C 2.079 178.746 176.600 0.112 0.000 0.984 248 E CA 0.999 57.458 56.400 0.098 0.000 0.806 248 E CB -0.426 29.404 29.700 0.218 0.000 0.750 248 E HN 0.101 nan 8.360 nan 0.000 0.458 249 A N 1.405 124.319 122.820 0.157 0.000 1.883 249 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 249 A C 2.042 179.672 177.584 0.077 0.000 1.186 249 A CA 1.375 53.508 52.037 0.160 0.000 0.624 249 A CB -0.439 18.641 19.000 0.134 0.000 0.822 249 A HN 0.118 nan 8.150 nan 0.000 0.444 250 R N -1.107 119.424 120.500 0.052 0.000 2.091 250 R HA -0.207 4.132 4.340 -0.001 0.000 0.238 250 R C 2.500 178.801 176.300 0.002 0.000 1.136 250 R CA 1.796 57.917 56.100 0.035 0.000 0.959 250 R CB -0.291 30.026 30.300 0.028 0.000 0.856 250 R HN 0.695 nan 8.270 nan 0.000 0.437 251 Q N 0.571 120.350 119.800 -0.034 0.000 2.083 251 Q HA -0.048 4.291 4.340 -0.001 0.000 0.198 251 Q C 1.926 177.835 176.000 -0.151 0.000 0.969 251 Q CA 1.822 57.573 55.803 -0.087 0.000 0.838 251 Q CB -0.139 28.534 28.738 -0.109 0.000 0.900 251 Q HN 0.322 nan 8.270 nan 0.000 0.436 252 A N 0.111 122.800 122.820 -0.218 0.000 1.930 252 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 252 A C 2.094 179.602 177.584 -0.127 0.000 1.175 252 A CA 1.296 53.137 52.037 -0.327 0.000 0.627 252 A CB -0.631 18.016 19.000 -0.589 0.000 0.815 252 A HN 0.482 nan 8.150 nan 0.000 0.443 253 I N -0.547 120.014 120.570 -0.013 0.000 2.202 253 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 253 I C 2.540 178.693 176.117 0.059 0.000 1.091 253 I CA 1.751 63.096 61.300 0.075 0.000 1.368 253 I CB -0.215 37.863 38.000 0.131 0.000 1.058 253 I HN 0.386 nan 8.210 nan 0.000 0.410 254 K N 0.573 120.985 120.400 0.020 0.000 2.032 254 K HA -0.244 4.076 4.320 -0.001 0.000 0.209 254 K C 2.362 178.938 176.600 -0.041 0.000 1.048 254 K CA 2.070 58.359 56.287 0.005 0.000 0.927 254 K CB -0.176 32.317 32.500 -0.012 0.000 0.712 254 K HN 0.146 nan 8.250 nan 0.000 0.441 255 S N 0.692 116.338 115.700 -0.089 0.000 2.348 255 S HA -0.113 4.356 4.470 -0.001 0.000 0.221 255 S C 2.032 176.536 174.600 -0.159 0.000 1.033 255 S CA 1.277 59.402 58.200 -0.125 0.000 1.010 255 S CB -0.335 62.762 63.200 -0.172 0.000 0.891 255 S HN 0.377 nan 8.310 nan 0.000 0.442 256 L N 0.794 121.896 121.223 -0.201 0.000 2.079 256 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 256 L C 2.796 179.369 176.870 -0.496 0.000 1.081 256 L CA 1.632 56.241 54.840 -0.385 0.000 0.752 256 L CB -1.005 40.807 42.059 -0.413 0.000 0.896 256 L HN 0.355 nan 8.230 nan 0.000 0.433 257 T N -1.166 113.288 114.554 -0.166 0.000 2.737 257 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 257 T C 1.832 176.521 174.700 -0.019 0.000 1.038 257 T CA 1.156 63.276 62.100 0.032 0.000 1.144 257 T CB -0.063 68.897 68.868 0.153 0.000 0.866 257 T HN 0.243 nan 8.240 nan 0.000 0.434 258 E N 0.921 121.095 120.200 -0.044 0.000 2.152 258 E HA 0.022 4.371 4.350 -0.001 0.000 0.192 258 E C 2.328 178.899 176.600 -0.048 0.000 0.983 258 E CA 0.923 57.304 56.400 -0.031 0.000 0.818 258 E CB -0.073 29.607 29.700 -0.033 0.000 0.758 258 E HN 0.435 nan 8.360 nan 0.000 0.467 259 R N -0.790 119.652 120.500 -0.096 0.000 2.237 259 R HA 0.139 4.478 4.340 -0.001 0.000 0.195 259 R C 1.794 178.023 176.300 -0.119 0.000 0.956 259 R CA 0.249 56.293 56.100 -0.093 0.000 1.029 259 R CB 0.335 30.573 30.300 -0.104 0.000 0.972 259 R HN 0.032 nan 8.270 nan 0.000 0.493 260 L N -2.069 119.039 121.223 -0.192 0.000 2.664 260 L HA 0.194 4.534 4.340 -0.001 0.000 0.198 260 L C 1.218 178.052 176.870 -0.060 0.000 1.057 260 L CA 0.752 55.481 54.840 -0.186 0.000 0.871 260 L CB -0.070 41.804 42.059 -0.309 0.000 1.364 260 L HN -0.117 nan 8.230 nan 0.000 0.483 261 Y N 1.109 121.414 120.300 0.009 0.000 2.263 261 Y HA -0.005 4.544 4.550 -0.002 0.000 0.292 261 Y C 2.458 178.352 175.900 -0.011 0.000 1.130 261 Y CA 1.362 59.472 58.100 0.018 0.000 1.179 261 Y CB -1.017 37.475 38.460 0.054 0.000 0.998 261 Y HN 0.340 nan 8.280 nan 0.000 0.532 262 I N -2.519 118.121 120.570 0.117 0.000 2.830 262 I HA 0.337 4.506 4.170 -0.001 0.000 0.263 262 I C 1.074 177.186 176.117 -0.008 0.000 1.230 262 I CA 1.042 62.370 61.300 0.047 0.000 1.480 262 I CB -0.383 37.639 38.000 0.037 0.000 1.095 262 I HN 0.115 nan 8.210 nan 0.000 0.455 263 G N -0.460 108.315 108.800 -0.042 0.000 2.359 263 G HA2 0.465 4.424 3.960 -0.001 0.000 0.293 263 G HA3 0.465 4.424 3.960 -0.001 0.000 0.293 263 G C -0.787 173.953 174.900 -0.266 0.000 1.300 263 G CA -0.312 44.694 45.100 -0.156 0.000 0.888 263 G HN 0.788 nan 8.290 nan 0.000 0.541 264 G N -1.064 107.330 108.800 -0.677 0.000 2.320 264 G HA2 0.718 4.677 3.960 -0.001 0.000 0.297 264 G HA3 0.718 4.677 3.960 -0.001 0.000 0.297 264 G C -3.483 170.777 174.900 -1.067 0.000 1.344 264 G CA 0.204 44.847 45.100 -0.762 0.000 0.851 264 G HN 0.835 nan 8.290 nan 0.000 0.567 265 P HA 0.529 nan 4.420 nan 0.000 0.274 265 P C -0.582 176.610 177.300 -0.180 0.000 1.231 265 P CA -0.231 62.716 63.100 -0.255 0.000 0.790 265 P CB 1.232 32.921 31.700 -0.018 0.000 0.951 266 L N 1.577 122.742 121.223 -0.096 0.000 2.346 266 L HA 0.549 4.889 4.340 -0.001 0.000 0.276 266 L C 0.327 177.194 176.870 -0.005 0.000 1.006 266 L CA -0.312 54.500 54.840 -0.046 0.000 0.817 266 L CB 1.978 44.044 42.059 0.012 0.000 1.272 266 L HN 0.266 nan 8.230 nan 0.000 0.421 267 T N 0.989 115.526 114.554 -0.029 0.000 2.848 267 T HA 0.334 4.684 4.350 -0.001 0.000 0.285 267 T C -0.333 174.353 174.700 -0.023 0.000 0.995 267 T CA -0.841 61.248 62.100 -0.018 0.000 0.970 267 T CB 1.602 70.446 68.868 -0.041 0.000 0.976 267 T HN 0.687 nan 8.240 nan 0.000 0.441 268 N N 0.647 119.351 118.700 0.007 0.000 2.364 268 N HA 0.147 4.886 4.740 -0.001 0.000 0.264 268 N C 1.467 176.975 175.510 -0.003 0.000 1.263 268 N CA -0.254 52.801 53.050 0.009 0.000 0.959 268 N CB 0.110 38.612 38.487 0.027 0.000 1.204 268 N HN 0.445 nan 8.380 nan 0.000 0.550 269 S N -1.475 114.233 115.700 0.014 0.000 2.442 269 S HA -0.099 4.370 4.470 -0.001 0.000 0.236 269 S C 0.854 175.460 174.600 0.009 0.000 1.007 269 S CA 0.600 58.812 58.200 0.020 0.000 0.965 269 S CB -0.394 62.831 63.200 0.041 0.000 0.773 269 S HN 0.565 nan 8.310 nan 0.000 0.504 270 K N 0.945 121.349 120.400 0.007 0.000 2.437 270 K HA 0.264 4.583 4.320 -0.001 0.000 0.198 270 K C 1.184 177.782 176.600 -0.004 0.000 1.024 270 K CA 0.475 56.764 56.287 0.003 0.000 1.148 270 K CB -0.108 32.397 32.500 0.008 0.000 0.860 270 K HN 0.555 nan 8.250 nan 0.000 0.515 271 G N 2.034 110.828 108.800 -0.010 0.000 2.153 271 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.252 271 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.252 271 G C -0.147 174.751 174.900 -0.004 0.000 0.994 271 G CA 0.218 45.308 45.100 -0.016 0.000 0.698 271 G HN 0.425 nan 8.290 nan 0.000 0.521 272 Q N -0.452 119.352 119.800 0.007 0.000 2.214 272 Q HA 0.448 4.788 4.340 -0.001 0.000 0.251 272 Q C 0.039 176.057 176.000 0.030 0.000 0.936 272 Q CA -0.874 54.940 55.803 0.019 0.000 0.894 272 Q CB 0.922 29.675 28.738 0.025 0.000 1.252 272 Q HN 0.194 nan 8.270 nan 0.000 0.448 273 N N 0.621 119.345 118.700 0.039 0.000 2.405 273 N HA 0.039 4.778 4.740 -0.001 0.000 0.260 273 N C -0.289 175.272 175.510 0.085 0.000 1.152 273 N CA -0.054 53.028 53.050 0.054 0.000 0.948 273 N CB 0.470 38.989 38.487 0.053 0.000 1.111 273 N HN 0.583 nan 8.380 nan 0.000 0.485 274 C N 2.278 121.645 119.300 0.112 0.000 2.495 274 C HA 0.482 4.941 4.460 -0.001 0.000 0.275 274 C C 1.286 176.433 174.990 0.262 0.000 1.392 274 C CA 0.747 59.887 59.018 0.203 0.000 1.766 274 C CB -1.503 26.390 27.740 0.256 0.000 1.933 274 C HN 0.905 nan 8.230 nan 0.000 0.519 275 G N -1.737 107.144 108.800 0.134 0.000 2.339 275 G HA2 0.261 4.220 3.960 -0.001 0.000 0.275 275 G HA3 0.261 4.220 3.960 -0.001 0.000 0.275 275 G C -2.061 172.847 174.900 0.013 0.000 1.323 275 G CA -0.525 44.600 45.100 0.042 0.000 0.927 275 G HN 0.025 nan 8.290 nan 0.000 0.486 276 Y N 0.514 120.678 120.300 -0.225 0.000 2.477 276 Y HA 0.785 5.335 4.550 -0.002 0.000 0.347 276 Y C 0.137 175.883 175.900 -0.257 0.000 0.981 276 Y CA -0.875 57.113 58.100 -0.188 0.000 1.033 276 Y CB 2.074 40.441 38.460 -0.154 0.000 1.245 276 Y HN 0.716 nan 8.280 nan 0.000 0.455 277 R N 4.517 124.751 120.500 -0.443 0.000 2.445 277 R HA 0.555 4.894 4.340 -0.001 0.000 0.308 277 R C -0.845 175.241 176.300 -0.356 0.000 0.961 277 R CA -0.617 55.203 56.100 -0.467 0.000 0.862 277 R CB 1.008 31.084 30.300 -0.373 0.000 1.144 277 R HN 0.907 nan 8.270 nan 0.000 0.447 278 R N 3.196 123.474 120.500 -0.371 0.000 2.659 278 R HA 0.215 4.554 4.340 -0.001 0.000 0.418 278 R C -0.475 175.675 176.300 -0.249 0.000 1.076 278 R CA -0.270 55.711 56.100 -0.199 0.000 1.093 278 R CB 0.502 30.733 30.300 -0.114 0.000 1.400 278 R HN 0.795 nan 8.270 nan 0.000 0.583 279 C N -1.807 117.295 119.300 -0.330 0.000 3.295 279 C HA 0.622 5.081 4.460 -0.001 0.000 0.370 279 C C -0.369 174.528 174.990 -0.154 0.000 1.974 279 C CA -1.445 57.416 59.018 -0.261 0.000 1.282 279 C CB 1.202 28.718 27.740 -0.374 0.000 2.380 279 C HN 0.355 nan 8.230 nan 0.000 0.443 280 R N 1.176 121.628 120.500 -0.080 0.000 2.537 280 R HA 0.541 4.880 4.340 -0.001 0.000 0.280 280 R C 0.080 176.412 176.300 0.055 0.000 1.058 280 R CA 0.862 56.970 56.100 0.013 0.000 1.057 280 R CB 0.198 30.534 30.300 0.061 0.000 0.973 280 R HN 1.191 nan 8.270 nan 0.000 0.438 281 A N 3.124 125.997 122.820 0.089 0.000 2.363 281 A HA 0.228 4.547 4.320 -0.001 0.000 0.270 281 A C 0.879 178.557 177.584 0.158 0.000 1.121 281 A CA 0.082 52.199 52.037 0.133 0.000 0.800 281 A CB 0.546 19.633 19.000 0.145 0.000 1.052 281 A HN 1.011 nan 8.150 nan 0.000 0.493 282 S N 1.574 117.384 115.700 0.184 0.000 2.528 282 S HA 0.130 4.600 4.470 -0.001 0.000 0.219 282 S C 1.084 175.785 174.600 0.169 0.000 0.985 282 S CA 0.686 58.993 58.200 0.179 0.000 0.914 282 S CB 0.095 63.408 63.200 0.190 0.000 0.776 282 S HN 1.248 nan 8.310 nan 0.000 0.526 283 G N 1.659 110.581 108.800 0.203 0.000 3.805 283 G HA2 0.498 4.457 3.960 -0.001 0.000 0.290 283 G HA3 0.498 4.457 3.960 -0.001 0.000 0.290 283 G C 0.030 175.058 174.900 0.213 0.000 1.077 283 G CA 0.081 45.313 45.100 0.220 0.000 0.852 283 G HN 0.587 nan 8.290 nan 0.000 0.531 284 V N -2.603 117.419 119.914 0.180 0.000 2.994 284 V HA 0.597 4.716 4.120 -0.001 0.000 0.318 284 V C 1.465 177.631 176.094 0.119 0.000 1.085 284 V CA -0.927 61.493 62.300 0.200 0.000 0.998 284 V CB 1.748 33.755 31.823 0.305 0.000 1.063 284 V HN 0.028 nan 8.190 nan 0.000 0.447 285 L N 2.398 123.700 121.223 0.131 0.000 2.083 285 L HA -0.053 4.286 4.340 -0.001 0.000 0.209 285 L C 2.326 179.179 176.870 -0.027 0.000 1.083 285 L CA 3.005 57.882 54.840 0.061 0.000 0.752 285 L CB -0.668 41.448 42.059 0.096 0.000 0.899 285 L HN 1.085 nan 8.230 nan 0.000 0.433 286 T N -5.644 108.844 114.554 -0.110 0.000 3.148 286 T HA 0.000 4.350 4.350 -0.001 0.000 0.253 286 T C 1.550 176.201 174.700 -0.080 0.000 1.134 286 T CA 0.722 62.720 62.100 -0.170 0.000 1.051 286 T CB -0.740 67.885 68.868 -0.404 0.000 0.959 286 T HN 0.286 nan 8.240 nan 0.000 0.525 287 T N 2.089 116.627 114.554 -0.027 0.000 2.652 287 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 287 T C 2.240 176.988 174.700 0.081 0.000 1.039 287 T CA 1.858 63.984 62.100 0.045 0.000 1.153 287 T CB -0.665 68.250 68.868 0.078 0.000 0.863 287 T HN 0.576 nan 8.240 nan 0.000 0.428 288 S N -0.166 115.557 115.700 0.038 0.000 2.368 288 S HA -0.133 4.336 4.470 -0.001 0.000 0.224 288 S C 2.459 177.150 174.600 0.151 0.000 1.029 288 S CA 1.414 59.646 58.200 0.053 0.000 0.988 288 S CB -0.911 62.186 63.200 -0.171 0.000 0.838 288 S HN 0.679 nan 8.310 nan 0.000 0.462 289 C N 1.291 120.648 119.300 0.096 0.000 2.453 289 C HA 0.199 4.658 4.460 -0.001 0.000 0.277 289 C C 2.855 177.941 174.990 0.160 0.000 1.262 289 C CA 0.988 60.087 59.018 0.136 0.000 1.718 289 C CB -1.787 25.975 27.740 0.036 0.000 2.031 289 C HN 0.676 nan 8.230 nan 0.000 0.480 290 G N 0.811 109.699 108.800 0.147 0.000 2.446 290 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 290 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 290 G C 1.518 176.538 174.900 0.201 0.000 1.168 290 G CA 1.190 46.376 45.100 0.144 0.000 0.771 290 G HN 0.597 nan 8.290 nan 0.000 0.551 291 N N 0.276 119.126 118.700 0.249 0.000 2.120 291 N HA -0.072 4.667 4.740 -0.001 0.000 0.188 291 N C 2.398 178.028 175.510 0.200 0.000 1.024 291 N CA 1.569 54.830 53.050 0.352 0.000 0.852 291 N CB -0.721 37.937 38.487 0.285 0.000 1.003 291 N HN 0.240 nan 8.380 nan 0.000 0.424 292 T N 1.538 116.213 114.554 0.202 0.000 2.708 292 T HA 0.009 4.358 4.350 -0.001 0.000 0.266 292 T C 2.120 176.932 174.700 0.187 0.000 1.037 292 T CA 0.612 62.830 62.100 0.197 0.000 1.146 292 T CB -0.242 68.829 68.868 0.337 0.000 0.865 292 T HN 0.123 nan 8.240 nan 0.000 0.435 293 L N 0.523 121.840 121.223 0.156 0.000 2.046 293 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 293 L C 2.895 179.868 176.870 0.171 0.000 1.077 293 L CA 1.192 56.100 54.840 0.113 0.000 0.747 293 L CB -0.741 41.340 42.059 0.037 0.000 0.896 293 L HN 0.278 nan 8.230 nan 0.000 0.432 294 T N -1.624 113.053 114.554 0.205 0.000 2.812 294 T HA -0.206 4.143 4.350 -0.001 0.000 0.264 294 T C 1.989 176.875 174.700 0.310 0.000 1.042 294 T CA 1.330 63.580 62.100 0.251 0.000 1.140 294 T CB -0.341 68.724 68.868 0.328 0.000 0.870 294 T HN 0.481 nan 8.240 nan 0.000 0.445 295 C N 0.802 120.298 119.300 0.328 0.000 2.429 295 C HA -0.100 4.359 4.460 -0.001 0.000 0.277 295 C C 2.391 177.487 174.990 0.178 0.000 1.262 295 C CA 0.634 59.789 59.018 0.229 0.000 1.733 295 C CB -1.433 26.307 27.740 0.000 0.000 2.010 295 C HN 0.667 nan 8.230 nan 0.000 0.483 296 Y N 1.117 121.456 120.300 0.065 0.000 2.181 296 Y HA -0.115 4.434 4.550 -0.002 0.000 0.288 296 Y C 2.143 178.048 175.900 0.009 0.000 1.146 296 Y CA 2.111 60.234 58.100 0.039 0.000 1.164 296 Y CB -0.537 37.940 38.460 0.027 0.000 0.982 296 Y HN 0.357 nan 8.280 nan 0.000 0.515 297 L N 0.965 122.232 121.223 0.074 0.000 2.005 297 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 297 L C 2.087 178.843 176.870 -0.190 0.000 1.072 297 L CA 1.958 56.727 54.840 -0.119 0.000 0.744 297 L CB -0.853 41.120 42.059 -0.143 0.000 0.895 297 L HN 0.124 nan 8.230 nan 0.000 0.433 298 K N -0.287 120.087 120.400 -0.042 0.000 2.057 298 K HA -0.047 4.272 4.320 -0.001 0.000 0.206 298 K C 2.121 178.726 176.600 0.008 0.000 1.050 298 K CA 1.329 57.612 56.287 -0.006 0.000 0.935 298 K CB -0.465 32.144 32.500 0.181 0.000 0.715 298 K HN 0.477 nan 8.250 nan 0.000 0.439 299 A N 1.233 124.052 122.820 -0.002 0.000 1.902 299 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 299 A C 2.213 179.805 177.584 0.014 0.000 1.181 299 A CA 1.936 53.998 52.037 0.042 0.000 0.623 299 A CB -0.589 18.478 19.000 0.112 0.000 0.818 299 A HN 0.198 nan 8.150 nan 0.000 0.443 300 S N 0.143 115.730 115.700 -0.188 0.000 2.368 300 S HA -0.045 4.424 4.470 -0.001 0.000 0.225 300 S C 2.293 176.830 174.600 -0.105 0.000 1.030 300 S CA 1.204 59.269 58.200 -0.226 0.000 0.999 300 S CB -0.512 62.405 63.200 -0.472 0.000 0.844 300 S HN 0.804 nan 8.310 nan 0.000 0.459 301 A N 1.712 124.478 122.820 -0.090 0.000 1.902 301 A HA 0.144 4.463 4.320 -0.001 0.000 0.217 301 A C 2.379 180.019 177.584 0.092 0.000 1.181 301 A CA 1.647 53.695 52.037 0.019 0.000 0.623 301 A CB -1.118 17.874 19.000 -0.014 0.000 0.818 301 A HN 0.520 nan 8.150 nan 0.000 0.443 302 A N -1.078 121.801 122.820 0.099 0.000 1.972 302 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 302 A C 2.247 179.849 177.584 0.029 0.000 1.169 302 A CA 1.645 53.615 52.037 -0.111 0.000 0.635 302 A CB -1.231 17.323 19.000 -0.744 0.000 0.810 302 A HN 0.600 nan 8.150 nan 0.000 0.446 303 C N -1.014 118.402 119.300 0.193 0.000 2.422 303 C HA -0.050 4.410 4.460 -0.001 0.000 0.279 303 C C 2.851 177.863 174.990 0.036 0.000 1.305 303 C CA 0.983 60.143 59.018 0.237 0.000 1.757 303 C CB -1.276 26.555 27.740 0.153 0.000 1.962 303 C HN 0.591 nan 8.230 nan 0.000 0.499 304 R N 0.885 121.317 120.500 -0.113 0.000 2.073 304 R HA -0.037 4.303 4.340 -0.001 0.000 0.229 304 R C 2.435 178.472 176.300 -0.437 0.000 1.120 304 R CA 1.426 57.330 56.100 -0.328 0.000 0.967 304 R CB -0.460 29.516 30.300 -0.541 0.000 0.862 304 R HN 0.523 nan 8.270 nan 0.000 0.436 305 A N 1.434 124.038 122.820 -0.360 0.000 1.877 305 A HA -0.106 4.213 4.320 -0.001 0.000 0.216 305 A C 2.328 179.898 177.584 -0.023 0.000 1.186 305 A CA 1.700 53.670 52.037 -0.111 0.000 0.620 305 A CB -0.603 18.404 19.000 0.013 0.000 0.822 305 A HN 0.381 nan 8.150 nan 0.000 0.443 306 A N -1.280 121.550 122.820 0.016 0.000 2.121 306 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 306 A C 1.183 178.795 177.584 0.048 0.000 1.154 306 A CA 1.359 53.439 52.037 0.072 0.000 0.679 306 A CB -0.499 18.615 19.000 0.190 0.000 0.795 306 A HN 0.550 nan 8.150 nan 0.000 0.458 307 K N -1.568 118.840 120.400 0.014 0.000 3.117 307 K HA -0.160 4.159 4.320 -0.001 0.000 0.269 307 K C -0.792 175.823 176.600 0.025 0.000 1.098 307 K CA 0.468 56.761 56.287 0.010 0.000 0.785 307 K CB -2.038 30.473 32.500 0.018 0.000 1.242 307 K HN 0.554 nan 8.250 nan 0.000 0.491 308 L N 1.122 122.370 121.223 0.042 0.000 2.453 308 L HA 0.073 4.412 4.340 -0.001 0.000 0.272 308 L C 1.036 177.917 176.870 0.019 0.000 1.182 308 L CA 0.206 55.073 54.840 0.044 0.000 0.858 308 L CB 0.488 42.593 42.059 0.077 0.000 1.120 308 L HN 0.222 nan 8.230 nan 0.000 0.474 309 Q N 2.404 122.209 119.800 0.008 0.000 2.243 309 Q HA 0.033 4.372 4.340 -0.001 0.000 0.252 309 Q C -0.295 175.693 176.000 -0.021 0.000 0.909 309 Q CA -0.536 55.263 55.803 -0.006 0.000 0.922 309 Q CB 0.896 29.628 28.738 -0.010 0.000 1.215 309 Q HN 0.557 nan 8.270 nan 0.000 0.427 310 D N 1.895 122.283 120.400 -0.021 0.000 2.735 310 D HA -0.193 4.446 4.640 -0.001 0.000 0.235 310 D C -1.317 174.959 176.300 -0.040 0.000 1.175 310 D CA 0.315 54.296 54.000 -0.031 0.000 0.683 310 D CB -1.089 39.684 40.800 -0.045 0.000 1.008 310 D HN 0.470 nan 8.370 nan 0.000 0.416 311 C N 0.710 119.994 119.300 -0.026 0.000 2.637 311 C HA 0.502 4.961 4.460 -0.001 0.000 0.418 311 C C 0.878 175.854 174.990 -0.024 0.000 1.319 311 C CA 0.068 59.066 59.018 -0.033 0.000 1.949 311 C CB 0.480 28.210 27.740 -0.016 0.000 2.639 311 C HN 0.458 nan 8.230 nan 0.000 0.594 312 T N 5.938 120.467 114.554 -0.041 0.000 2.861 312 T HA 0.528 4.877 4.350 -0.001 0.000 0.287 312 T C -0.502 174.205 174.700 0.012 0.000 1.003 312 T CA -0.345 61.761 62.100 0.010 0.000 0.977 312 T CB 1.177 70.018 68.868 -0.045 0.000 0.996 312 T HN 0.547 nan 8.240 nan 0.000 0.448 313 M N 2.921 122.590 119.600 0.115 0.000 2.528 313 M HA 0.633 5.112 4.480 -0.001 0.000 0.321 313 M C -1.446 175.003 176.300 0.248 0.000 1.153 313 M CA -1.111 54.251 55.300 0.104 0.000 0.951 313 M CB 2.219 34.870 32.600 0.085 0.000 1.705 313 M HN 0.331 nan 8.290 nan 0.000 0.451 314 L N 2.806 124.133 121.223 0.173 0.000 2.406 314 L HA 0.693 5.032 4.340 -0.001 0.000 0.272 314 L C -1.506 175.403 176.870 0.066 0.000 0.980 314 L CA -0.513 54.437 54.840 0.184 0.000 0.831 314 L CB 1.929 44.125 42.059 0.229 0.000 1.253 314 L HN 0.482 nan 8.230 nan 0.000 0.406 315 V N 4.280 124.213 119.914 0.032 0.000 2.531 315 V HA 0.586 4.705 4.120 -0.001 0.000 0.301 315 V C -0.848 175.119 176.094 -0.212 0.000 1.034 315 V CA -0.634 61.655 62.300 -0.018 0.000 0.865 315 V CB 1.890 33.778 31.823 0.108 0.000 0.995 315 V HN 0.807 nan 8.190 nan 0.000 0.424 316 N N 3.617 122.148 118.700 -0.282 0.000 2.576 316 N HA 0.633 5.372 4.740 -0.001 0.000 0.269 316 N C 0.599 176.001 175.510 -0.180 0.000 1.058 316 N CA 0.468 53.159 53.050 -0.599 0.000 0.860 316 N CB 1.820 39.913 38.487 -0.655 0.000 1.249 316 N HN 1.037 nan 8.380 nan 0.000 0.525 317 G N 2.499 111.326 108.800 0.045 0.000 2.629 317 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.313 317 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.313 317 G C 0.430 175.211 174.900 -0.197 0.000 1.217 317 G CA 0.854 45.986 45.100 0.052 0.000 0.994 317 G HN 0.659 nan 8.290 nan 0.000 0.549 318 D N 1.623 121.822 120.400 -0.336 0.000 2.363 318 D HA 0.198 4.837 4.640 -0.001 0.000 0.214 318 D C -0.007 176.244 176.300 -0.081 0.000 1.093 318 D CA 0.528 54.267 54.000 -0.436 0.000 0.837 318 D CB -0.242 40.096 40.800 -0.771 0.000 0.948 318 D HN 0.391 nan 8.370 nan 0.000 0.507 319 D N 0.988 121.365 120.400 -0.037 0.000 2.336 319 D HA 0.310 4.949 4.640 -0.001 0.000 0.249 319 D C -0.550 175.758 176.300 0.014 0.000 1.213 319 D CA -0.312 53.698 54.000 0.018 0.000 0.870 319 D CB 1.293 42.096 40.800 0.006 0.000 1.076 319 D HN 0.131 nan 8.370 nan 0.000 0.483 320 L N 3.437 124.706 121.223 0.076 0.000 2.334 320 L HA 0.616 4.955 4.340 -0.001 0.000 0.276 320 L C -1.369 175.494 176.870 -0.012 0.000 1.014 320 L CA -0.695 54.176 54.840 0.052 0.000 0.815 320 L CB 1.766 43.898 42.059 0.123 0.000 1.268 320 L HN 0.157 nan 8.230 nan 0.000 0.428 321 V N 5.185 125.052 119.914 -0.079 0.000 2.540 321 V HA 0.593 4.712 4.120 -0.001 0.000 0.302 321 V C -0.626 175.289 176.094 -0.298 0.000 1.035 321 V CA -0.677 61.511 62.300 -0.187 0.000 0.873 321 V CB 1.914 33.670 31.823 -0.111 0.000 0.992 321 V HN 0.547 nan 8.190 nan 0.000 0.428 322 V N 6.125 125.661 119.914 -0.630 0.000 2.495 322 V HA 0.567 4.686 4.120 -0.001 0.000 0.298 322 V C -0.392 175.427 176.094 -0.458 0.000 1.031 322 V CA -0.403 61.517 62.300 -0.633 0.000 0.871 322 V CB 1.850 33.002 31.823 -1.119 0.000 0.988 322 V HN 0.696 nan 8.190 nan 0.000 0.432 323 I N 5.191 125.622 120.570 -0.232 0.000 2.436 323 I HA 0.702 4.871 4.170 -0.001 0.000 0.289 323 I C -0.068 175.968 176.117 -0.134 0.000 1.010 323 I CA -0.316 60.909 61.300 -0.126 0.000 1.098 323 I CB 1.731 39.702 38.000 -0.048 0.000 1.266 323 I HN 0.883 nan 8.210 nan 0.000 0.434 324 C N 2.458 121.682 119.300 -0.127 0.000 3.335 324 C HA 0.569 5.029 4.460 -0.001 0.000 0.356 324 C C -0.724 174.189 174.990 -0.128 0.000 1.570 324 C CA -0.893 58.064 59.018 -0.102 0.000 1.271 324 C CB 1.882 29.596 27.740 -0.044 0.000 1.873 324 C HN 0.638 nan 8.230 nan 0.000 0.439 325 E N 1.877 122.023 120.200 -0.091 0.000 2.223 325 E HA 0.276 4.625 4.350 -0.001 0.000 0.282 325 E C 0.089 176.667 176.600 -0.037 0.000 1.046 325 E CA 0.452 56.800 56.400 -0.087 0.000 0.857 325 E CB 1.685 31.345 29.700 -0.067 0.000 1.055 325 E HN 0.726 nan 8.360 nan 0.000 0.409 326 S N 2.046 117.736 115.700 -0.018 0.000 2.549 326 S HA 0.145 4.614 4.470 -0.001 0.000 0.286 326 S C 0.706 175.327 174.600 0.034 0.000 1.314 326 S CA 0.148 58.385 58.200 0.063 0.000 1.062 326 S CB 0.567 63.852 63.200 0.143 0.000 0.865 326 S HN 0.538 nan 8.310 nan 0.000 0.498 327 A N 3.802 126.650 122.820 0.046 0.000 2.387 327 A HA 0.633 4.952 4.320 -0.001 0.000 0.234 327 A C 1.032 178.629 177.584 0.020 0.000 1.253 327 A CA 0.311 52.363 52.037 0.024 0.000 0.894 327 A CB -1.000 18.014 19.000 0.023 0.000 0.963 327 A HN 1.939 nan 8.150 nan 0.000 0.508 328 G N -2.060 106.757 108.800 0.028 0.000 2.515 328 G HA2 0.003 3.962 3.960 -0.001 0.000 0.686 328 G HA3 0.003 3.962 3.960 -0.001 0.000 0.686 328 G C 0.360 175.280 174.900 0.033 0.000 1.274 328 G CA -0.182 44.919 45.100 0.002 0.000 0.874 328 G HN 0.300 nan 8.290 nan 0.000 0.631 329 T N 0.563 115.113 114.554 -0.006 0.000 2.643 329 T HA -0.120 4.229 4.350 -0.001 0.000 0.264 329 T C 2.416 177.151 174.700 0.059 0.000 1.045 329 T CA 2.104 64.222 62.100 0.030 0.000 1.155 329 T CB -0.247 68.604 68.868 -0.028 0.000 0.863 329 T HN 0.509 nan 8.240 nan 0.000 0.420 330 Q N 0.812 120.629 119.800 0.028 0.000 2.167 330 Q HA -0.041 4.298 4.340 -0.001 0.000 0.202 330 Q C 2.294 178.311 176.000 0.027 0.000 0.970 330 Q CA 1.230 57.048 55.803 0.025 0.000 0.855 330 Q CB -0.361 28.384 28.738 0.012 0.000 0.911 330 Q HN 0.578 nan 8.270 nan 0.000 0.438 331 E N 0.743 120.960 120.200 0.029 0.000 2.077 331 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 331 E C 1.627 178.248 176.600 0.036 0.000 0.989 331 E CA 1.214 57.631 56.400 0.028 0.000 0.800 331 E CB -0.083 29.632 29.700 0.025 0.000 0.746 331 E HN 0.283 nan 8.360 nan 0.000 0.452 332 D N -0.003 120.433 120.400 0.060 0.000 2.117 332 D HA -0.086 4.553 4.640 -0.001 0.000 0.198 332 D C 1.846 178.158 176.300 0.020 0.000 0.982 332 D CA 1.410 55.447 54.000 0.063 0.000 0.828 332 D CB -0.350 40.538 40.800 0.148 0.000 0.967 332 D HN 0.194 nan 8.370 nan 0.000 0.464 333 A N 1.012 123.852 122.820 0.034 0.000 1.902 333 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 333 A C 2.292 179.870 177.584 -0.010 0.000 1.181 333 A CA 2.262 54.303 52.037 0.006 0.000 0.623 333 A CB -0.689 18.325 19.000 0.023 0.000 0.818 333 A HN 0.238 nan 8.150 nan 0.000 0.443 334 A N 0.135 122.958 122.820 0.004 0.000 1.968 334 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 334 A C 2.491 180.077 177.584 0.005 0.000 1.169 334 A CA 2.100 54.139 52.037 0.004 0.000 0.638 334 A CB -0.869 18.136 19.000 0.010 0.000 0.812 334 A HN 0.977 nan 8.150 nan 0.000 0.446 335 S N -0.391 115.312 115.700 0.005 0.000 2.383 335 S HA -0.106 4.363 4.470 -0.001 0.000 0.227 335 S C 1.730 176.333 174.600 0.005 0.000 1.026 335 S CA 1.472 59.682 58.200 0.016 0.000 0.981 335 S CB -0.523 62.691 63.200 0.025 0.000 0.818 335 S HN 0.225 nan 8.310 nan 0.000 0.472 336 L N 1.684 122.859 121.223 -0.081 0.000 2.141 336 L HA 0.140 4.479 4.340 -0.001 0.000 0.209 336 L C 2.878 179.736 176.870 -0.021 0.000 1.094 336 L CA 1.442 56.174 54.840 -0.180 0.000 0.763 336 L CB -0.644 41.200 42.059 -0.358 0.000 0.908 336 L HN 0.292 nan 8.230 nan 0.000 0.437 337 R N -1.426 119.069 120.500 -0.007 0.000 2.075 337 R HA -0.093 4.246 4.340 -0.001 0.000 0.232 337 R C 2.147 178.468 176.300 0.034 0.000 1.126 337 R CA 1.301 57.413 56.100 0.019 0.000 0.963 337 R CB -0.455 29.847 30.300 0.004 0.000 0.858 337 R HN 0.208 nan 8.270 nan 0.000 0.435 338 V N 0.738 120.673 119.914 0.035 0.000 2.427 338 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 338 V C 1.905 178.018 176.094 0.032 0.000 1.051 338 V CA 1.606 63.921 62.300 0.025 0.000 1.048 338 V CB -0.572 31.267 31.823 0.027 0.000 0.666 338 V HN 0.212 nan 8.190 nan 0.000 0.456 339 F N 1.581 121.498 119.950 -0.055 0.000 2.069 339 F HA -0.249 4.277 4.527 -0.002 0.000 0.298 339 F C 2.491 178.263 175.800 -0.048 0.000 1.113 339 F CA 2.448 60.416 58.000 -0.052 0.000 1.214 339 F CB -0.584 38.374 39.000 -0.069 0.000 0.978 339 F HN 0.095 nan 8.300 nan 0.000 0.474 340 T N 0.006 114.680 114.554 0.199 0.000 2.759 340 T HA -0.212 4.137 4.350 -0.001 0.000 0.269 340 T C 1.706 176.409 174.700 0.005 0.000 1.042 340 T CA 1.806 64.023 62.100 0.195 0.000 1.140 340 T CB -0.359 68.664 68.868 0.259 0.000 0.864 340 T HN 0.388 nan 8.240 nan 0.000 0.455 341 E N 0.819 120.996 120.200 -0.038 0.000 2.077 341 E HA -0.076 4.273 4.350 -0.001 0.000 0.193 341 E C 2.520 179.000 176.600 -0.201 0.000 0.989 341 E CA 1.056 57.404 56.400 -0.087 0.000 0.800 341 E CB -0.211 29.448 29.700 -0.067 0.000 0.746 341 E HN 0.481 nan 8.360 nan 0.000 0.452 342 A N 0.956 123.600 122.820 -0.293 0.000 1.898 342 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 342 A C 2.138 179.304 177.584 -0.697 0.000 1.181 342 A CA 1.211 52.930 52.037 -0.530 0.000 0.620 342 A CB -0.311 18.430 19.000 -0.431 0.000 0.819 342 A HN 0.129 nan 8.150 nan 0.000 0.442 343 M N -0.233 119.089 119.600 -0.464 0.000 2.108 343 M HA -0.123 4.357 4.480 -0.001 0.000 0.261 343 M C 2.181 178.432 176.300 -0.082 0.000 1.066 343 M CA 2.076 57.236 55.300 -0.232 0.000 1.107 343 M CB -1.897 30.527 32.600 -0.294 0.000 1.356 343 M HN 0.457 nan 8.290 nan 0.000 0.406 344 T N 0.015 114.520 114.554 -0.082 0.000 2.746 344 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 344 T C 1.970 176.620 174.700 -0.083 0.000 1.039 344 T CA 1.090 63.172 62.100 -0.031 0.000 1.142 344 T CB -0.214 68.639 68.868 -0.023 0.000 0.866 344 T HN 0.376 nan 8.240 nan 0.000 0.444 345 R N -0.002 120.373 120.500 -0.207 0.000 2.105 345 R HA -0.080 4.259 4.340 -0.001 0.000 0.239 345 R C 1.871 178.094 176.300 -0.128 0.000 1.135 345 R CA 1.282 57.251 56.100 -0.219 0.000 0.967 345 R CB -0.307 29.780 30.300 -0.354 0.000 0.861 345 R HN 0.446 nan 8.270 nan 0.000 0.442 346 Y N -0.904 119.366 120.300 -0.050 0.000 2.529 346 Y HA 0.085 4.635 4.550 -0.001 0.000 0.290 346 Y C 1.276 177.159 175.900 -0.028 0.000 1.177 346 Y CA -0.005 58.056 58.100 -0.064 0.000 1.305 346 Y CB 0.311 38.759 38.460 -0.020 0.000 1.047 346 Y HN 0.010 nan 8.280 nan 0.000 0.522 347 S N -1.797 113.976 115.700 0.121 0.000 2.042 347 S HA -0.088 4.382 4.470 -0.001 0.000 0.252 347 S C 0.072 174.743 174.600 0.118 0.000 1.373 347 S CA 0.395 58.652 58.200 0.094 0.000 1.133 347 S CB -1.566 61.675 63.200 0.069 0.000 1.435 347 S HN 0.498 nan 8.310 nan 0.000 0.649 348 A N 2.233 125.153 122.820 0.165 0.000 2.938 348 A HA 0.642 4.961 4.320 -0.001 0.000 0.344 348 A C -2.435 175.329 177.584 0.300 0.000 1.142 348 A CA -1.269 50.922 52.037 0.256 0.000 0.841 348 A CB 0.653 19.880 19.000 0.377 0.000 1.083 348 A HN 0.366 nan 8.150 nan 0.000 0.479 349 P HA 0.328 nan 4.420 nan 0.000 0.274 349 P C -2.958 174.425 177.300 0.138 0.000 1.237 349 P CA -1.266 61.930 63.100 0.160 0.000 0.793 349 P CB 0.727 32.447 31.700 0.032 0.000 0.977 350 P HA 0.136 nan 4.420 nan 0.000 0.284 350 P C 0.995 178.215 177.300 -0.135 0.000 1.258 350 P CA -0.126 62.812 63.100 -0.269 0.000 0.824 350 P CB 0.738 32.084 31.700 -0.591 0.000 1.038 351 G N 1.266 109.995 108.800 -0.118 0.000 2.402 351 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.216 351 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.216 351 G C -0.011 174.844 174.900 -0.076 0.000 1.162 351 G CA 0.591 45.653 45.100 -0.064 0.000 0.777 351 G HN 0.516 nan 8.290 nan 0.000 0.539 352 D N -0.033 120.303 120.400 -0.105 0.000 2.738 352 D HA 0.363 5.002 4.640 -0.001 0.000 0.237 352 D C -2.843 173.387 176.300 -0.117 0.000 1.123 352 D CA -1.228 52.721 54.000 -0.086 0.000 0.856 352 D CB 2.132 42.896 40.800 -0.060 0.000 1.552 352 D HN -0.106 nan 8.370 nan 0.000 0.480 353 P HA 0.119 nan 4.420 nan 0.000 0.265 353 P C -2.263 175.000 177.300 -0.061 0.000 1.193 353 P CA -0.688 62.373 63.100 -0.064 0.000 0.765 353 P CB -0.214 31.466 31.700 -0.032 0.000 0.823 354 P HA 0.116 nan 4.420 nan 0.000 0.269 354 P C -0.742 176.509 177.300 -0.081 0.000 1.215 354 P CA 0.030 63.111 63.100 -0.032 0.000 0.780 354 P CB 0.611 32.289 31.700 -0.036 0.000 0.898 355 Q N 1.972 121.748 119.800 -0.041 0.000 2.337 355 Q HA 0.475 4.814 4.340 -0.001 0.000 0.270 355 Q C -2.551 173.428 176.000 -0.034 0.000 1.043 355 Q CA -2.323 53.456 55.803 -0.039 0.000 0.794 355 Q CB 1.453 30.186 28.738 -0.008 0.000 1.281 355 Q HN 0.259 nan 8.270 nan 0.000 0.446 356 P HA 0.118 nan 4.420 nan 0.000 0.268 356 P C -0.854 176.308 177.300 -0.231 0.000 1.204 356 P CA 0.005 63.020 63.100 -0.141 0.000 0.768 356 P CB 0.713 32.335 31.700 -0.131 0.000 0.842 357 E N 2.077 122.096 120.200 -0.302 0.000 2.222 357 E HA 0.216 4.565 4.350 -0.001 0.000 0.267 357 E C -0.425 175.956 176.600 -0.365 0.000 0.884 357 E CA -0.433 55.827 56.400 -0.233 0.000 0.764 357 E CB 1.346 31.007 29.700 -0.065 0.000 1.169 357 E HN 0.448 nan 8.360 nan 0.000 0.413 358 Y N -0.202 120.242 120.300 0.239 0.000 2.507 358 Y HA 0.160 4.709 4.550 -0.002 0.000 0.254 358 Y C 0.393 176.546 175.900 0.421 0.000 1.171 358 Y CA -0.363 57.941 58.100 0.341 0.000 1.238 358 Y CB 0.984 39.547 38.460 0.171 0.000 1.148 358 Y HN 0.238 nan 8.280 nan 0.000 0.525 359 D N 0.589 121.137 120.400 0.247 0.000 2.471 359 D HA 0.131 4.770 4.640 -0.001 0.000 0.245 359 D C 0.797 176.853 176.300 -0.407 0.000 1.116 359 D CA -0.200 53.801 54.000 0.002 0.000 0.853 359 D CB 1.390 42.207 40.800 0.029 0.000 1.123 359 D HN 0.146 nan 8.370 nan 0.000 0.540 360 L N 3.190 123.820 121.223 -0.989 0.000 2.081 360 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 360 L C 1.889 178.430 176.870 -0.548 0.000 1.080 360 L CA 1.490 55.617 54.840 -1.188 0.000 0.754 360 L CB 0.034 41.229 42.059 -1.440 0.000 0.893 360 L HN 0.607 nan 8.230 nan 0.000 0.433 361 E N -0.120 119.861 120.200 -0.364 0.000 2.209 361 E HA -0.233 4.116 4.350 -0.001 0.000 0.196 361 E C 2.034 178.535 176.600 -0.164 0.000 0.993 361 E CA 0.859 57.130 56.400 -0.215 0.000 0.819 361 E CB -0.008 29.612 29.700 -0.133 0.000 0.745 361 E HN 0.576 nan 8.360 nan 0.000 0.477 362 L N 0.811 121.938 121.223 -0.159 0.000 2.591 362 L HA 0.170 4.509 4.340 -0.001 0.000 0.228 362 L C 0.547 177.359 176.870 -0.098 0.000 1.133 362 L CA -0.153 54.627 54.840 -0.099 0.000 0.880 362 L CB 0.170 42.193 42.059 -0.060 0.000 1.033 362 L HN 0.075 nan 8.230 nan 0.000 0.450 363 I N 0.369 120.853 120.570 -0.143 0.000 2.337 363 I HA 0.105 4.275 4.170 -0.001 0.000 0.291 363 I C -0.102 175.962 176.117 -0.088 0.000 1.046 363 I CA 0.215 61.450 61.300 -0.110 0.000 1.324 363 I CB 0.994 38.903 38.000 -0.152 0.000 1.409 363 I HN -0.078 nan 8.210 nan 0.000 0.494 364 T N 4.892 119.417 114.554 -0.049 0.000 2.770 364 T HA 0.422 4.771 4.350 -0.001 0.000 0.283 364 T C -0.313 174.380 174.700 -0.011 0.000 0.988 364 T CA -0.482 61.598 62.100 -0.032 0.000 0.957 364 T CB 1.327 70.178 68.868 -0.028 0.000 0.930 364 T HN 0.630 nan 8.240 nan 0.000 0.443 365 S N 1.305 117.003 115.700 -0.005 0.000 2.541 365 S HA 0.393 4.862 4.470 -0.001 0.000 0.271 365 S C 0.096 174.712 174.600 0.026 0.000 1.133 365 S CA -0.512 57.694 58.200 0.010 0.000 0.876 365 S CB 0.703 63.901 63.200 -0.003 0.000 1.105 365 S HN 0.955 nan 8.310 nan 0.000 0.470 366 C N 2.934 122.257 119.300 0.037 0.000 4.268 366 C HA -0.153 4.306 4.460 -0.001 0.000 0.299 366 C C 1.203 176.248 174.990 0.091 0.000 1.429 366 C CA 0.818 59.876 59.018 0.067 0.000 2.018 366 C CB -3.295 24.482 27.740 0.063 0.000 1.277 366 C HN 1.584 nan 8.230 nan 0.000 0.767 367 S N -1.685 114.053 115.700 0.064 0.000 3.319 367 S HA -0.233 4.236 4.470 -0.001 0.000 0.319 367 S C 0.341 174.965 174.600 0.040 0.000 1.236 367 S CA 1.409 59.636 58.200 0.046 0.000 0.964 367 S CB -1.449 61.784 63.200 0.055 0.000 1.040 367 S HN 2.012 nan 8.310 nan 0.000 0.620 368 S N 0.993 116.729 115.700 0.061 0.000 2.632 368 S HA 0.811 5.280 4.470 -0.001 0.000 0.289 368 S C -0.942 173.673 174.600 0.025 0.000 1.115 368 S CA -0.480 57.770 58.200 0.084 0.000 0.889 368 S CB 2.283 65.612 63.200 0.215 0.000 1.116 368 S HN 0.559 nan 8.310 nan 0.000 0.486 369 N N -0.312 118.392 118.700 0.006 0.000 2.610 369 N HA 0.416 5.155 4.740 -0.001 0.000 0.264 369 N C -1.543 173.905 175.510 -0.103 0.000 1.348 369 N CA -0.706 52.307 53.050 -0.063 0.000 0.819 369 N CB 1.515 39.951 38.487 -0.085 0.000 1.521 369 N HN 0.482 nan 8.380 nan 0.000 0.497 370 V N 0.459 120.277 119.914 -0.159 0.000 2.649 370 V HA 0.449 4.569 4.120 -0.001 0.000 0.292 370 V C 0.462 176.408 176.094 -0.247 0.000 1.055 370 V CA -0.011 62.167 62.300 -0.203 0.000 1.023 370 V CB 0.967 32.667 31.823 -0.205 0.000 0.992 370 V HN 0.852 nan 8.190 nan 0.000 0.480 371 S N 2.463 117.918 115.700 -0.408 0.000 2.732 371 S HA 0.832 5.301 4.470 -0.001 0.000 0.293 371 S C -1.004 173.431 174.600 -0.274 0.000 1.159 371 S CA -0.277 57.717 58.200 -0.343 0.000 0.847 371 S CB 2.071 65.069 63.200 -0.337 0.000 1.169 371 S HN 1.072 nan 8.310 nan 0.000 0.501 372 V N -0.119 119.754 119.914 -0.069 0.000 2.680 372 V HA 1.068 5.187 4.120 -0.001 0.000 0.309 372 V C -0.196 175.904 176.094 0.011 0.000 1.052 372 V CA -0.105 62.118 62.300 -0.128 0.000 0.908 372 V CB 0.733 32.352 31.823 -0.341 0.000 1.001 372 V HN 1.272 nan 8.190 nan 0.000 0.431 373 A N 3.131 125.826 122.820 -0.210 0.000 2.566 373 A HA 0.969 5.288 4.320 -0.001 0.000 0.291 373 A C -1.221 175.929 177.584 -0.723 0.000 1.278 373 A CA -0.746 51.016 52.037 -0.458 0.000 0.711 373 A CB 1.484 20.017 19.000 -0.778 0.000 1.332 373 A HN 1.128 nan 8.150 nan 0.000 0.478 374 H N -0.079 118.661 119.070 -0.549 0.000 2.690 374 H HA 0.500 5.055 4.556 -0.002 0.000 0.368 374 H C -0.821 174.260 175.328 -0.412 0.000 1.150 374 H CA -0.289 55.465 56.048 -0.489 0.000 1.174 374 H CB 1.466 30.873 29.762 -0.593 0.000 1.684 374 H HN 0.808 nan 8.280 nan 0.000 0.538 375 D N 0.829 121.185 120.400 -0.074 0.000 2.511 375 D HA 0.259 4.899 4.640 -0.001 0.000 0.276 375 D C 1.274 177.698 176.300 0.207 0.000 1.220 375 D CA -0.294 53.728 54.000 0.036 0.000 1.077 375 D CB 0.301 41.103 40.800 0.003 0.000 1.126 375 D HN 0.502 nan 8.370 nan 0.000 0.583 376 A N -0.186 122.725 122.820 0.151 0.000 1.908 376 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 376 A C 2.085 179.735 177.584 0.110 0.000 1.181 376 A CA 2.618 54.728 52.037 0.122 0.000 0.627 376 A CB -1.278 17.764 19.000 0.069 0.000 0.818 376 A HN 0.663 nan 8.150 nan 0.000 0.445 377 S N -1.722 114.033 115.700 0.091 0.000 2.555 377 S HA 0.313 4.782 4.470 -0.001 0.000 0.230 377 S C 1.477 176.129 174.600 0.086 0.000 0.978 377 S CA 1.239 59.482 58.200 0.071 0.000 0.934 377 S CB -0.431 62.800 63.200 0.051 0.000 0.766 377 S HN 2.006 nan 8.310 nan 0.000 0.533 378 G N 0.820 109.701 108.800 0.134 0.000 2.175 378 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.244 378 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.244 378 G C -0.024 174.957 174.900 0.135 0.000 0.982 378 G CA 0.203 45.378 45.100 0.125 0.000 0.641 378 G HN 0.723 nan 8.290 nan 0.000 0.527 379 K N 1.066 121.514 120.400 0.081 0.000 2.412 379 K HA 0.354 4.673 4.320 -0.001 0.000 0.281 379 K C 0.882 177.444 176.600 -0.063 0.000 1.027 379 K CA -0.594 55.713 56.287 0.033 0.000 0.989 379 K CB 0.233 32.739 32.500 0.010 0.000 0.935 379 K HN 0.315 nan 8.250 nan 0.000 0.475 380 R N 2.051 122.459 120.500 -0.153 0.000 2.502 380 R HA 0.054 4.394 4.340 -0.001 0.000 0.292 380 R C -0.686 175.361 176.300 -0.421 0.000 0.998 380 R CA -0.083 55.730 56.100 -0.479 0.000 1.056 380 R CB 0.524 30.566 30.300 -0.430 0.000 0.939 380 R HN 0.259 nan 8.270 nan 0.000 0.411 381 V N 5.176 124.784 119.914 -0.509 0.000 2.531 381 V HA 0.270 4.390 4.120 -0.001 0.000 0.301 381 V C -0.933 174.955 176.094 -0.343 0.000 1.034 381 V CA -0.886 61.235 62.300 -0.299 0.000 0.865 381 V CB 1.390 33.107 31.823 -0.176 0.000 0.995 381 V HN 0.564 nan 8.190 nan 0.000 0.424 382 Y N 5.067 125.362 120.300 -0.008 0.000 2.334 382 Y HA 0.690 5.239 4.550 -0.002 0.000 0.328 382 Y C 0.004 175.954 175.900 0.083 0.000 1.130 382 Y CA -0.470 57.628 58.100 -0.004 0.000 1.163 382 Y CB 1.188 39.602 38.460 -0.077 0.000 1.207 382 Y HN 0.729 nan 8.280 nan 0.000 0.471 383 Y N 0.175 120.522 120.300 0.077 0.000 2.625 383 Y HA 0.717 5.266 4.550 -0.002 0.000 0.338 383 Y C -2.114 173.830 175.900 0.073 0.000 1.123 383 Y CA -1.850 56.275 58.100 0.041 0.000 1.046 383 Y CB 0.892 39.340 38.460 -0.019 0.000 1.299 383 Y HN 0.474 nan 8.280 nan 0.000 0.464 384 L N 2.065 123.326 121.223 0.063 0.000 2.292 384 L HA 0.723 5.062 4.340 -0.001 0.000 0.284 384 L C -0.004 177.033 176.870 0.278 0.000 1.065 384 L CA 0.421 55.306 54.840 0.076 0.000 0.806 384 L CB 1.467 43.609 42.059 0.138 0.000 1.175 384 L HN 1.010 nan 8.230 nan 0.000 0.431 385 T N 4.247 118.928 114.554 0.211 0.000 2.716 385 T HA 0.857 5.206 4.350 -0.001 0.000 0.286 385 T C -1.173 173.637 174.700 0.183 0.000 1.052 385 T CA -0.623 61.684 62.100 0.346 0.000 1.024 385 T CB 1.146 70.186 68.868 0.287 0.000 1.349 385 T HN 0.832 nan 8.240 nan 0.000 0.525 386 R N 0.414 120.940 120.500 0.044 0.000 2.733 386 R HA 0.469 4.808 4.340 -0.001 0.000 0.272 386 R C -1.496 174.576 176.300 -0.380 0.000 1.029 386 R CA -0.997 54.995 56.100 -0.179 0.000 0.888 386 R CB 0.398 30.523 30.300 -0.291 0.000 1.251 386 R HN 0.511 nan 8.270 nan 0.000 0.464 387 D N 1.598 121.796 120.400 -0.336 0.000 2.487 387 D HA 0.046 4.685 4.640 -0.001 0.000 0.243 387 D C -1.417 174.490 176.300 -0.654 0.000 1.154 387 D CA -1.230 52.534 54.000 -0.393 0.000 0.876 387 D CB 1.275 41.937 40.800 -0.230 0.000 1.161 387 D HN 0.319 nan 8.370 nan 0.000 0.478 388 P HA 0.024 nan 4.420 nan 0.000 0.249 388 P C 1.168 178.151 177.300 -0.528 0.000 1.229 388 P CA 0.159 62.602 63.100 -1.096 0.000 0.788 388 P CB 0.295 31.313 31.700 -1.138 0.000 1.072 389 T N -0.422 113.928 114.554 -0.340 0.000 2.607 389 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 389 T C 1.751 176.373 174.700 -0.129 0.000 1.049 389 T CA 2.352 64.346 62.100 -0.178 0.000 1.162 389 T CB -1.138 67.661 68.868 -0.114 0.000 0.863 389 T HN 0.180 nan 8.240 nan 0.000 0.424 390 T N 2.135 116.612 114.554 -0.129 0.000 2.737 390 T HA -0.039 4.310 4.350 -0.001 0.000 0.265 390 T C -0.601 174.043 174.700 -0.093 0.000 1.038 390 T CA 1.134 63.183 62.100 -0.085 0.000 1.144 390 T CB -1.141 67.698 68.868 -0.048 0.000 0.866 390 T HN 0.337 nan 8.240 nan 0.000 0.434 391 P HA 0.007 nan 4.420 nan 0.000 0.216 391 P C 1.450 178.784 177.300 0.055 0.000 1.150 391 P CA 0.883 63.978 63.100 -0.008 0.000 0.837 391 P CB -0.172 31.524 31.700 -0.007 0.000 0.786 392 L N -1.241 119.972 121.223 -0.016 0.000 2.072 392 L HA -0.096 4.244 4.340 -0.001 0.000 0.205 392 L C 2.488 179.396 176.870 0.063 0.000 1.079 392 L CA 1.436 56.294 54.840 0.030 0.000 0.752 392 L CB -1.124 40.913 42.059 -0.038 0.000 0.906 392 L HN -0.056 nan 8.230 nan 0.000 0.436 393 A N 0.076 122.916 122.820 0.033 0.000 1.933 393 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 393 A C 2.377 180.023 177.584 0.103 0.000 1.175 393 A CA 1.359 53.434 52.037 0.064 0.000 0.628 393 A CB -0.414 18.602 19.000 0.027 0.000 0.814 393 A HN 0.307 nan 8.150 nan 0.000 0.444 394 R N -0.711 119.820 120.500 0.052 0.000 2.090 394 R HA -0.004 4.336 4.340 -0.001 0.000 0.228 394 R C 2.455 178.886 176.300 0.218 0.000 1.110 394 R CA 1.055 57.189 56.100 0.057 0.000 0.973 394 R CB -0.386 29.891 30.300 -0.039 0.000 0.869 394 R HN 0.503 nan 8.270 nan 0.000 0.440 395 A N 1.234 124.211 122.820 0.263 0.000 1.930 395 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 395 A C 2.330 180.152 177.584 0.397 0.000 1.175 395 A CA 1.544 53.833 52.037 0.419 0.000 0.627 395 A CB -0.471 18.848 19.000 0.532 0.000 0.815 395 A HN 0.380 nan 8.150 nan 0.000 0.443 396 A N -0.992 121.985 122.820 0.262 0.000 1.858 396 A HA -0.198 4.122 4.320 -0.001 0.000 0.216 396 A C 2.092 179.819 177.584 0.238 0.000 1.190 396 A CA 1.419 53.570 52.037 0.190 0.000 0.617 396 A CB -1.012 18.072 19.000 0.139 0.000 0.827 396 A HN 0.831 nan 8.150 nan 0.000 0.443 397 W N 1.135 122.484 121.300 0.081 0.000 2.321 397 W HA -0.193 4.465 4.660 -0.003 0.000 0.306 397 W C 1.335 177.912 176.519 0.096 0.000 1.217 397 W CA 2.110 59.496 57.345 0.069 0.000 1.257 397 W CB -0.279 29.202 29.460 0.035 0.000 1.145 397 W HN 0.543 nan 8.180 nan 0.000 0.509 398 E N -0.913 119.554 120.200 0.444 0.000 2.502 398 E HA -0.065 4.285 4.350 -0.001 0.000 0.194 398 E C 1.816 178.573 176.600 0.261 0.000 1.062 398 E CA 0.753 57.369 56.400 0.359 0.000 0.867 398 E CB 0.069 30.011 29.700 0.404 0.000 0.888 398 E HN 0.057 nan 8.360 nan 0.000 0.510 399 T N 0.004 114.692 114.554 0.225 0.000 2.978 399 T HA 0.030 4.379 4.350 -0.001 0.000 0.262 399 T C 1.748 176.478 174.700 0.049 0.000 1.063 399 T CA 0.934 63.118 62.100 0.141 0.000 1.140 399 T CB 0.188 69.121 68.868 0.108 0.000 0.886 399 T HN 0.228 nan 8.240 nan 0.000 0.470 400 A N 1.494 124.307 122.820 -0.012 0.000 1.881 400 A HA 0.210 4.529 4.320 -0.001 0.000 0.210 400 A C 2.079 179.601 177.584 -0.104 0.000 1.239 400 A CA 0.265 52.246 52.037 -0.093 0.000 0.629 400 A CB 0.010 18.893 19.000 -0.195 0.000 0.906 400 A HN 0.142 nan 8.150 nan 0.000 0.460 401 R N -0.767 119.635 120.500 -0.164 0.000 0.731 401 R HA 0.469 4.808 4.340 -0.001 0.000 0.058 401 R C 0.456 176.789 176.300 0.055 0.000 0.705 401 R CA 1.089 57.139 56.100 -0.083 0.000 2.145 401 R CB -1.290 28.933 30.300 -0.127 0.000 0.622 401 R HN 1.039 nan 8.270 nan 0.000 0.779 402 H N -1.436 117.722 119.070 0.147 0.000 2.796 402 H HA 0.278 4.834 4.556 -0.001 0.000 0.258 402 H C -0.563 174.861 175.328 0.161 0.000 1.221 402 H CA -0.594 55.545 56.048 0.153 0.000 1.791 402 H CB -0.514 29.308 29.762 0.099 0.000 1.855 402 H HN 0.761 nan 8.280 nan 0.000 0.487 403 T N -0.641 113.995 114.554 0.136 0.000 2.812 403 T HA 0.741 5.090 4.350 -0.001 0.000 0.294 403 T C -2.162 172.553 174.700 0.025 0.000 1.159 403 T CA -0.719 61.436 62.100 0.093 0.000 1.008 403 T CB 1.672 70.602 68.868 0.103 0.000 1.289 403 T HN 0.522 nan 8.240 nan 0.000 0.514 404 P HA 0.185 nan 4.420 nan 0.000 0.221 404 P C 1.467 178.730 177.300 -0.062 0.000 1.155 404 P CA 0.193 63.246 63.100 -0.079 0.000 0.812 404 P CB -0.032 31.598 31.700 -0.116 0.000 0.801 405 V N -0.426 119.461 119.914 -0.044 0.000 2.788 405 V HA -0.028 4.091 4.120 -0.001 0.000 0.251 405 V C 0.489 176.526 176.094 -0.094 0.000 1.068 405 V CA 0.401 62.668 62.300 -0.055 0.000 1.090 405 V CB -1.298 30.493 31.823 -0.053 0.000 0.710 405 V HN 0.261 nan 8.190 nan 0.000 0.467 406 N N 1.283 119.934 118.700 -0.082 0.000 2.678 406 N HA -0.218 4.522 4.740 -0.001 0.000 0.268 406 N C 1.557 176.911 175.510 -0.260 0.000 1.010 406 N CA 0.765 53.707 53.050 -0.179 0.000 0.784 406 N CB -0.387 37.878 38.487 -0.370 0.000 0.905 406 N HN 0.695 nan 8.380 nan 0.000 0.552 407 S N 0.034 115.680 115.700 -0.090 0.000 2.402 407 S HA -0.189 4.280 4.470 -0.001 0.000 0.233 407 S C 1.939 176.531 174.600 -0.012 0.000 1.030 407 S CA 1.121 59.289 58.200 -0.053 0.000 1.003 407 S CB -0.482 62.711 63.200 -0.011 0.000 0.813 407 S HN 0.705 nan 8.310 nan 0.000 0.477 408 W N 1.275 122.513 121.300 -0.103 0.000 2.318 408 W HA -0.165 4.494 4.660 -0.001 0.000 0.313 408 W C 1.782 178.201 176.519 -0.168 0.000 1.221 408 W CA 0.935 58.175 57.345 -0.174 0.000 1.266 408 W CB -1.121 27.993 29.460 -0.577 0.000 1.150 408 W HN 0.421 nan 8.180 nan 0.000 0.496 409 L N 2.734 123.385 121.223 -0.952 0.000 2.131 409 L HA 0.224 4.563 4.340 -0.001 0.000 0.206 409 L C 2.705 179.309 176.870 -0.443 0.000 1.087 409 L CA 2.642 56.857 54.840 -1.042 0.000 0.767 409 L CB -1.334 39.798 42.059 -1.544 0.000 0.917 409 L HN 0.069 nan 8.230 nan 0.000 0.441 410 G N -0.481 108.114 108.800 -0.341 0.000 2.418 410 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.217 410 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.217 410 G C 1.472 176.314 174.900 -0.097 0.000 1.158 410 G CA 0.788 45.761 45.100 -0.212 0.000 0.771 410 G HN 0.427 nan 8.290 nan 0.000 0.545 411 N N 0.512 119.227 118.700 0.025 0.000 2.188 411 N HA -0.002 4.738 4.740 -0.001 0.000 0.184 411 N C 2.252 177.843 175.510 0.134 0.000 1.018 411 N CA 0.531 53.709 53.050 0.214 0.000 0.858 411 N CB -0.166 38.527 38.487 0.343 0.000 0.989 411 N HN 0.328 nan 8.380 nan 0.000 0.426 412 I N 0.819 121.429 120.570 0.066 0.000 2.208 412 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 412 I C 1.917 178.033 176.117 -0.002 0.000 1.097 412 I CA 0.999 62.327 61.300 0.046 0.000 1.363 412 I CB -0.101 37.968 38.000 0.115 0.000 1.051 412 I HN 0.058 nan 8.210 nan 0.000 0.413 413 I N -0.311 120.230 120.570 -0.049 0.000 2.193 413 I HA -0.272 3.898 4.170 -0.001 0.000 0.240 413 I C 2.447 178.563 176.117 -0.001 0.000 1.084 413 I CA 1.114 62.379 61.300 -0.059 0.000 1.365 413 I CB -0.233 37.660 38.000 -0.177 0.000 1.064 413 I HN 0.152 nan 8.210 nan 0.000 0.410 414 M N -0.733 118.799 119.600 -0.112 0.000 2.319 414 M HA -0.121 4.358 4.480 -0.001 0.000 0.265 414 M C 1.095 177.196 176.300 -0.332 0.000 1.068 414 M CA 1.770 56.925 55.300 -0.242 0.000 1.118 414 M CB -0.766 31.563 32.600 -0.451 0.000 1.395 414 M HN 0.250 nan 8.290 nan 0.000 0.435 415 Y N -0.856 119.410 120.300 -0.056 0.000 2.720 415 Y HA 0.431 4.980 4.550 -0.001 0.000 0.268 415 Y C 1.837 177.470 175.900 -0.446 0.000 1.142 415 Y CA -0.243 57.712 58.100 -0.242 0.000 1.193 415 Y CB -0.357 37.910 38.460 -0.322 0.000 1.176 415 Y HN 0.163 nan 8.280 nan 0.000 0.542 416 A N 1.120 123.783 122.820 -0.261 0.000 1.958 416 A HA -0.192 4.127 4.320 -0.001 0.000 0.221 416 A C -0.522 176.821 177.584 -0.402 0.000 1.178 416 A CA 1.783 53.648 52.037 -0.287 0.000 0.642 416 A CB -1.403 17.512 19.000 -0.141 0.000 0.816 416 A HN 0.286 nan 8.150 nan 0.000 0.453 417 P HA 0.024 nan 4.420 nan 0.000 0.233 417 P C 0.638 177.666 177.300 -0.453 0.000 1.167 417 P CA 1.210 64.026 63.100 -0.473 0.000 0.770 417 P CB -0.338 31.071 31.700 -0.486 0.000 0.837 418 T N -2.732 111.560 114.554 -0.437 0.000 2.899 418 T HA 0.138 4.487 4.350 -0.001 0.000 0.295 418 T C 1.173 175.477 174.700 -0.660 0.000 1.033 418 T CA -0.658 61.148 62.100 -0.490 0.000 1.084 418 T CB 0.688 69.085 68.868 -0.785 0.000 0.979 418 T HN -0.077 nan 8.240 nan 0.000 0.532 419 L N 2.002 122.764 121.223 -0.768 0.000 2.046 419 L HA 0.002 4.342 4.340 -0.001 0.000 0.208 419 L C 2.468 179.042 176.870 -0.494 0.000 1.077 419 L CA 1.454 55.816 54.840 -0.798 0.000 0.747 419 L CB -0.465 41.008 42.059 -0.976 0.000 0.896 419 L HN 0.928 nan 8.230 nan 0.000 0.432 420 W N -0.360 120.739 121.300 -0.335 0.000 2.436 420 W HA 0.032 4.691 4.660 -0.000 0.000 0.284 420 W C 2.014 178.404 176.519 -0.215 0.000 1.225 420 W CA 0.660 57.843 57.345 -0.271 0.000 1.271 420 W CB -1.225 28.105 29.460 -0.218 0.000 1.114 420 W HN 0.290 nan 8.180 nan 0.000 0.559 421 A N 1.845 124.234 122.820 -0.718 0.000 1.897 421 A HA -0.077 4.242 4.320 -0.001 0.000 0.215 421 A C 2.261 179.699 177.584 -0.244 0.000 1.181 421 A CA 1.432 53.181 52.037 -0.480 0.000 0.620 421 A CB -0.726 17.857 19.000 -0.695 0.000 0.821 421 A HN 0.246 nan 8.150 nan 0.000 0.443 422 R N -1.003 119.282 120.500 -0.358 0.000 2.066 422 R HA 0.020 4.360 4.340 -0.001 0.000 0.232 422 R C 2.243 178.414 176.300 -0.215 0.000 1.131 422 R CA 1.764 57.684 56.100 -0.299 0.000 0.955 422 R CB -0.311 29.660 30.300 -0.547 0.000 0.851 422 R HN 0.498 nan 8.270 nan 0.000 0.432 423 M N -0.612 118.741 119.600 -0.411 0.000 2.248 423 M HA -0.001 4.478 4.480 -0.001 0.000 0.265 423 M C 1.717 177.984 176.300 -0.054 0.000 1.079 423 M CA 1.421 56.553 55.300 -0.280 0.000 1.150 423 M CB 0.139 32.493 32.600 -0.409 0.000 1.366 423 M HN 0.072 nan 8.290 nan 0.000 0.433 424 I N -0.616 119.760 120.570 -0.324 0.000 2.900 424 I HA -0.075 4.094 4.170 -0.001 0.000 0.251 424 I C 2.039 177.985 176.117 -0.285 0.000 1.102 424 I CA 0.513 61.356 61.300 -0.762 0.000 1.457 424 I CB -0.304 37.173 38.000 -0.870 0.000 1.285 424 I HN 0.082 nan 8.210 nan 0.000 0.459 425 L N -0.192 121.028 121.223 -0.004 0.000 2.056 425 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 425 L C 2.578 179.716 176.870 0.446 0.000 1.078 425 L CA 1.605 56.609 54.840 0.274 0.000 0.749 425 L CB -0.396 41.861 42.059 0.331 0.000 0.901 425 L HN 0.281 nan 8.230 nan 0.000 0.433 426 M N -1.046 118.787 119.600 0.388 0.000 2.077 426 M HA -0.165 4.314 4.480 -0.001 0.000 0.261 426 M C 2.349 179.122 176.300 0.788 0.000 1.070 426 M CA 1.911 57.556 55.300 0.575 0.000 1.125 426 M CB -0.523 32.272 32.600 0.325 0.000 1.339 426 M HN 0.219 nan 8.290 nan 0.000 0.409 427 T N -1.081 113.916 114.554 0.738 0.000 2.597 427 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 427 T C 1.696 176.721 174.700 0.542 0.000 1.053 427 T CA 2.121 64.670 62.100 0.748 0.000 1.165 427 T CB -0.650 68.690 68.868 0.787 0.000 0.863 427 T HN 0.431 nan 8.240 nan 0.000 0.427 428 H N 0.004 119.258 119.070 0.307 0.000 2.353 428 H HA 0.031 4.587 4.556 -0.001 0.000 0.300 428 H C 1.831 177.065 175.328 -0.157 0.000 1.090 428 H CA 1.467 57.566 56.048 0.085 0.000 1.327 428 H CB -0.460 29.199 29.762 -0.172 0.000 1.383 428 H HN 0.421 nan 8.280 nan 0.000 0.508 429 F N -1.538 118.461 119.950 0.081 0.000 2.234 429 F HA -0.029 4.498 4.527 -0.002 0.000 0.296 429 F C 1.815 177.512 175.800 -0.173 0.000 1.089 429 F CA 0.423 58.253 58.000 -0.282 0.000 1.343 429 F CB -0.249 38.302 39.000 -0.749 0.000 1.040 429 F HN 0.116 nan 8.300 nan 0.000 0.498 430 F N -0.196 119.911 119.950 0.262 0.000 2.365 430 F HA -0.193 4.333 4.527 -0.001 0.000 0.300 430 F C 2.676 178.507 175.800 0.052 0.000 1.090 430 F CA 1.231 59.358 58.000 0.211 0.000 1.408 430 F CB -0.525 38.679 39.000 0.341 0.000 1.060 430 F HN -0.023 nan 8.300 nan 0.000 0.534 431 S N 0.400 116.180 115.700 0.132 0.000 2.357 431 S HA -0.141 4.328 4.470 -0.001 0.000 0.221 431 S C 2.029 176.571 174.600 -0.097 0.000 1.031 431 S CA 1.038 59.233 58.200 -0.008 0.000 0.982 431 S CB -0.630 62.547 63.200 -0.038 0.000 0.853 431 S HN 0.382 nan 8.310 nan 0.000 0.458 432 I N 1.052 121.490 120.570 -0.219 0.000 2.493 432 I HA -0.089 4.080 4.170 -0.001 0.000 0.254 432 I C 2.130 178.193 176.117 -0.091 0.000 1.160 432 I CA 0.957 62.127 61.300 -0.217 0.000 1.445 432 I CB -0.209 37.589 38.000 -0.336 0.000 1.086 432 I HN 0.342 nan 8.210 nan 0.000 0.433 433 L N -0.330 120.865 121.223 -0.047 0.000 2.209 433 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 433 L C 2.391 179.279 176.870 0.029 0.000 1.094 433 L CA 0.725 55.562 54.840 -0.004 0.000 0.790 433 L CB -0.255 41.788 42.059 -0.028 0.000 0.932 433 L HN 0.212 nan 8.230 nan 0.000 0.447 434 L N -0.212 121.039 121.223 0.047 0.000 2.027 434 L HA -0.171 4.168 4.340 -0.001 0.000 0.206 434 L C 2.824 179.700 176.870 0.010 0.000 1.074 434 L CA 1.257 56.124 54.840 0.045 0.000 0.745 434 L CB -0.563 41.521 42.059 0.042 0.000 0.898 434 L HN 0.229 nan 8.230 nan 0.000 0.433 435 A N -0.923 121.889 122.820 -0.013 0.000 1.969 435 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 435 A C 1.998 179.572 177.584 -0.016 0.000 1.169 435 A CA 1.269 53.291 52.037 -0.025 0.000 0.635 435 A CB -0.206 18.764 19.000 -0.049 0.000 0.810 435 A HN 0.538 nan 8.150 nan 0.000 0.445 436 Q N -1.699 118.094 119.800 -0.010 0.000 2.247 436 Q HA 0.158 4.497 4.340 -0.001 0.000 0.211 436 Q C -0.429 175.578 176.000 0.011 0.000 0.861 436 Q CA 0.298 56.100 55.803 -0.002 0.000 0.949 436 Q CB 0.513 29.250 28.738 -0.002 0.000 1.115 436 Q HN 0.738 nan 8.270 nan 0.000 0.507 437 E N 0.529 120.739 120.200 0.017 0.000 3.170 437 E HA -0.221 4.128 4.350 -0.001 0.000 0.284 437 E C 0.040 176.661 176.600 0.035 0.000 0.967 437 E CA 0.476 56.892 56.400 0.026 0.000 0.919 437 E CB -0.557 29.155 29.700 0.020 0.000 1.469 437 E HN 0.404 nan 8.360 nan 0.000 0.444 438 Q N -0.106 119.716 119.800 0.037 0.000 2.225 438 Q HA 0.056 4.395 4.340 -0.001 0.000 0.222 438 Q C 1.408 177.441 176.000 0.054 0.000 0.887 438 Q CA -0.146 55.683 55.803 0.044 0.000 0.958 438 Q CB 0.355 29.121 28.738 0.046 0.000 1.058 438 Q HN 0.233 nan 8.270 nan 0.000 0.459 439 L N 1.139 122.401 121.223 0.064 0.000 2.043 439 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 439 L C 1.637 178.556 176.870 0.082 0.000 1.075 439 L CA 1.984 56.876 54.840 0.087 0.000 0.752 439 L CB -0.168 41.965 42.059 0.123 0.000 0.891 439 L HN 0.283 nan 8.230 nan 0.000 0.432 440 E N -1.355 118.886 120.200 0.068 0.000 2.479 440 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 440 E C 0.544 177.174 176.600 0.051 0.000 1.049 440 E CA -0.134 56.302 56.400 0.061 0.000 0.870 440 E CB 0.260 29.991 29.700 0.053 0.000 0.944 440 E HN 0.235 nan 8.360 nan 0.000 0.492 441 K N 1.737 122.168 120.400 0.051 0.000 2.312 441 K HA 0.330 4.649 4.320 -0.001 0.000 0.287 441 K C -0.464 176.164 176.600 0.046 0.000 1.062 441 K CA -0.344 55.972 56.287 0.047 0.000 0.934 441 K CB 0.825 33.355 32.500 0.050 0.000 1.027 441 K HN -0.084 nan 8.250 nan 0.000 0.478 442 A N 4.940 127.782 122.820 0.037 0.000 2.445 442 A HA 0.360 4.679 4.320 -0.001 0.000 0.242 442 A C -0.570 177.029 177.584 0.025 0.000 1.075 442 A CA -0.290 51.764 52.037 0.028 0.000 0.777 442 A CB 0.134 19.150 19.000 0.027 0.000 1.013 442 A HN 0.764 nan 8.150 nan 0.000 0.493 443 L N 1.414 122.639 121.223 0.003 0.000 2.354 443 L HA 0.385 4.724 4.340 -0.001 0.000 0.269 443 L C -0.881 175.969 176.870 -0.033 0.000 1.005 443 L CA -1.038 53.796 54.840 -0.011 0.000 0.819 443 L CB 2.023 44.060 42.059 -0.037 0.000 1.311 443 L HN 0.564 nan 8.230 nan 0.000 0.423 444 D N 0.892 121.277 120.400 -0.026 0.000 2.350 444 D HA 0.325 4.964 4.640 -0.001 0.000 0.249 444 D C -0.839 175.425 176.300 -0.060 0.000 1.119 444 D CA 0.191 54.179 54.000 -0.019 0.000 0.886 444 D CB 1.461 42.243 40.800 -0.030 0.000 1.195 444 D HN 0.379 nan 8.370 nan 0.000 0.437 445 C N 3.207 122.492 119.300 -0.024 0.000 2.599 445 C HA 0.302 4.761 4.460 -0.001 0.000 0.354 445 C C -0.939 174.073 174.990 0.036 0.000 1.092 445 C CA -0.673 58.305 59.018 -0.066 0.000 1.280 445 C CB 0.639 28.285 27.740 -0.155 0.000 1.829 445 C HN 0.529 nan 8.230 nan 0.000 0.454 446 Q N 4.858 124.658 119.800 0.000 0.000 2.389 446 Q HA 0.694 5.033 4.340 -0.001 0.000 0.244 446 Q C -0.879 175.132 176.000 0.017 0.000 1.056 446 Q CA 0.490 56.316 55.803 0.038 0.000 0.908 446 Q CB 0.132 28.875 28.738 0.008 0.000 1.273 446 Q HN 0.732 nan 8.270 nan 0.000 0.471 447 I N 3.626 124.250 120.570 0.091 0.000 2.498 447 I HA 0.246 4.415 4.170 -0.001 0.000 0.290 447 I C -0.865 175.337 176.117 0.141 0.000 1.032 447 I CA -1.200 60.072 61.300 -0.046 0.000 1.073 447 I CB 1.369 39.213 38.000 -0.259 0.000 1.251 447 I HN 0.510 nan 8.210 nan 0.000 0.426 448 Y N 4.969 125.310 120.300 0.068 0.000 3.477 448 Y HA -0.220 4.329 4.550 -0.001 0.000 0.216 448 Y C 1.404 177.322 175.900 0.030 0.000 1.296 448 Y CA 1.095 59.225 58.100 0.050 0.000 1.535 448 Y CB -1.920 36.580 38.460 0.066 0.000 1.482 448 Y HN 1.011 nan 8.280 nan 0.000 0.597 449 G N -2.071 106.819 108.800 0.150 0.000 2.267 449 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.257 449 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.257 449 G C 0.406 175.327 174.900 0.035 0.000 0.998 449 G CA 0.341 45.475 45.100 0.057 0.000 0.620 449 G HN 1.625 nan 8.290 nan 0.000 0.529 450 A N -0.965 121.891 122.820 0.061 0.000 2.320 450 A HA 0.692 5.011 4.320 -0.001 0.000 0.334 450 A C 0.292 177.803 177.584 -0.120 0.000 1.147 450 A CA 0.278 52.260 52.037 -0.091 0.000 0.820 450 A CB 1.546 20.405 19.000 -0.235 0.000 1.218 450 A HN 1.552 nan 8.150 nan 0.000 0.482 451 C N 2.475 121.648 119.300 -0.213 0.000 2.239 451 C HA 0.720 5.179 4.460 -0.001 0.000 0.325 451 C C -0.976 173.870 174.990 -0.239 0.000 1.231 451 C CA -0.681 58.278 59.018 -0.099 0.000 1.652 451 C CB -2.012 25.746 27.740 0.030 0.000 2.284 451 C HN 0.605 nan 8.230 nan 0.000 0.499 452 Y N 3.082 123.373 120.300 -0.016 0.000 2.376 452 Y HA 0.426 4.975 4.550 -0.002 0.000 0.325 452 Y C 0.855 176.739 175.900 -0.026 0.000 1.199 452 Y CA -0.254 57.830 58.100 -0.026 0.000 1.206 452 Y CB 1.340 39.770 38.460 -0.049 0.000 1.229 452 Y HN 0.581 nan 8.280 nan 0.000 0.480 453 S N 3.754 119.532 115.700 0.130 0.000 2.466 453 S HA 0.511 4.980 4.470 -0.001 0.000 0.313 453 S C -0.796 173.838 174.600 0.057 0.000 1.078 453 S CA -0.511 57.731 58.200 0.070 0.000 1.115 453 S CB -1.010 62.220 63.200 0.050 0.000 1.006 453 S HN 0.528 nan 8.310 nan 0.000 0.487 454 I N 3.902 124.482 120.570 0.016 0.000 2.359 454 I HA 0.334 4.503 4.170 -0.001 0.000 0.294 454 I C 0.318 176.424 176.117 -0.019 0.000 0.987 454 I CA -0.546 60.742 61.300 -0.019 0.000 1.225 454 I CB 1.518 39.463 38.000 -0.091 0.000 1.366 454 I HN 0.513 nan 8.210 nan 0.000 0.466 455 E N 7.677 127.880 120.200 0.005 0.000 2.130 455 E HA 0.167 4.516 4.350 -0.001 0.000 0.284 455 E C -1.735 174.886 176.600 0.036 0.000 1.018 455 E CA -1.603 54.812 56.400 0.025 0.000 0.817 455 E CB 1.232 30.956 29.700 0.040 0.000 1.078 455 E HN 0.352 nan 8.360 nan 0.000 0.396 456 P HA -0.207 nan 4.420 nan 0.000 0.217 456 P C 0.828 178.251 177.300 0.205 0.000 1.148 456 P CA 1.183 64.318 63.100 0.058 0.000 0.834 456 P CB 0.229 31.908 31.700 -0.036 0.000 0.783 457 L N -1.184 120.149 121.223 0.183 0.000 2.465 457 L HA -0.079 4.260 4.340 -0.001 0.000 0.224 457 L C 1.432 178.384 176.870 0.138 0.000 1.145 457 L CA 0.925 55.886 54.840 0.203 0.000 0.834 457 L CB -0.652 41.498 42.059 0.152 0.000 0.944 457 L HN -0.055 nan 8.230 nan 0.000 0.451 458 D N 0.012 120.472 120.400 0.100 0.000 2.363 458 D HA -0.046 4.593 4.640 -0.001 0.000 0.220 458 D C 2.260 178.601 176.300 0.068 0.000 0.994 458 D CA 0.516 54.553 54.000 0.062 0.000 0.890 458 D CB 0.244 41.064 40.800 0.033 0.000 0.906 458 D HN 0.289 nan 8.370 nan 0.000 0.530 459 L N 0.819 122.116 121.223 0.123 0.000 2.042 459 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 459 L C -0.529 176.431 176.870 0.150 0.000 1.076 459 L CA 1.380 56.304 54.840 0.141 0.000 0.749 459 L CB -1.194 41.016 42.059 0.252 0.000 0.893 459 L HN 0.048 nan 8.230 nan 0.000 0.432 460 P HA -0.190 nan 4.420 nan 0.000 0.216 460 P C 1.263 178.638 177.300 0.125 0.000 1.150 460 P CA 1.240 64.396 63.100 0.093 0.000 0.837 460 P CB 0.086 31.690 31.700 -0.159 0.000 0.786 461 Q N -1.051 118.770 119.800 0.035 0.000 2.096 461 Q HA -0.013 4.326 4.340 -0.001 0.000 0.197 461 Q C 2.170 178.179 176.000 0.016 0.000 0.964 461 Q CA 1.060 56.869 55.803 0.010 0.000 0.838 461 Q CB -0.850 27.882 28.738 -0.010 0.000 0.906 461 Q HN 0.241 nan 8.270 nan 0.000 0.444 462 I N -0.065 120.513 120.570 0.013 0.000 2.226 462 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 462 I C 1.867 177.962 176.117 -0.037 0.000 1.100 462 I CA 1.205 62.484 61.300 -0.034 0.000 1.374 462 I CB -0.193 37.771 38.000 -0.059 0.000 1.057 462 I HN 0.187 nan 8.210 nan 0.000 0.413 463 I N 0.307 120.906 120.570 0.049 0.000 2.353 463 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 463 I C 2.625 178.714 176.117 -0.047 0.000 1.119 463 I CA 1.228 62.556 61.300 0.046 0.000 1.417 463 I CB -0.301 37.790 38.000 0.152 0.000 1.078 463 I HN 0.270 nan 8.210 nan 0.000 0.421 464 E N 1.369 121.583 120.200 0.023 0.000 2.051 464 E HA -0.302 4.047 4.350 -0.001 0.000 0.192 464 E C 2.376 178.947 176.600 -0.047 0.000 0.991 464 E CA 1.287 57.676 56.400 -0.018 0.000 0.799 464 E CB -0.033 29.714 29.700 0.078 0.000 0.748 464 E HN 0.295 nan 8.360 nan 0.000 0.449 465 R N 0.068 120.540 120.500 -0.046 0.000 2.091 465 R HA -0.174 4.165 4.340 -0.001 0.000 0.238 465 R C 2.464 178.698 176.300 -0.110 0.000 1.136 465 R CA 1.546 57.609 56.100 -0.062 0.000 0.959 465 R CB -0.277 29.989 30.300 -0.055 0.000 0.856 465 R HN 0.287 nan 8.270 nan 0.000 0.437 466 L N -0.604 120.503 121.223 -0.193 0.000 2.209 466 L HA -0.028 4.311 4.340 -0.001 0.000 0.207 466 L C 1.349 177.951 176.870 -0.447 0.000 1.094 466 L CA 1.725 56.355 54.840 -0.351 0.000 0.790 466 L CB -0.022 41.723 42.059 -0.523 0.000 0.932 466 L HN 0.286 nan 8.230 nan 0.000 0.447 467 H N -1.362 117.647 119.070 -0.102 0.000 3.205 467 H HA 0.516 5.072 4.556 -0.001 0.000 0.252 467 H C 0.961 176.211 175.328 -0.130 0.000 1.015 467 H CA 0.528 56.503 56.048 -0.121 0.000 1.192 467 H CB 0.508 30.160 29.762 -0.183 0.000 1.474 467 H HN 0.236 nan 8.280 nan 0.000 0.484 468 G N 0.680 109.454 108.800 -0.043 0.000 2.663 468 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.686 468 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.686 468 G C 0.569 175.389 174.900 -0.133 0.000 1.288 468 G CA -0.170 44.897 45.100 -0.055 0.000 0.836 468 G HN 0.186 nan 8.290 nan 0.000 0.584 469 L N 0.978 122.172 121.223 -0.049 0.000 2.201 469 L HA -0.054 4.285 4.340 -0.001 0.000 0.212 469 L C 3.203 180.051 176.870 -0.036 0.000 1.105 469 L CA 2.138 56.990 54.840 0.020 0.000 0.775 469 L CB -0.392 41.760 42.059 0.153 0.000 0.913 469 L HN 0.938 nan 8.230 nan 0.000 0.440 470 S N 0.056 115.723 115.700 -0.055 0.000 2.440 470 S HA -0.184 4.285 4.470 -0.001 0.000 0.238 470 S C 2.079 176.596 174.600 -0.138 0.000 1.010 470 S CA 0.825 58.994 58.200 -0.052 0.000 0.972 470 S CB -0.390 62.780 63.200 -0.049 0.000 0.774 470 S HN 0.363 nan 8.310 nan 0.000 0.501 471 A N 0.575 123.216 122.820 -0.298 0.000 2.125 471 A HA 0.167 4.486 4.320 -0.001 0.000 0.219 471 A C 1.601 178.995 177.584 -0.317 0.000 1.156 471 A CA 0.907 52.702 52.037 -0.403 0.000 0.671 471 A CB -0.922 17.754 19.000 -0.540 0.000 0.794 471 A HN 0.701 nan 8.150 nan 0.000 0.459 472 F N -1.782 118.199 119.950 0.053 0.000 2.727 472 F HA 0.169 4.695 4.527 -0.002 0.000 0.302 472 F C 1.803 177.666 175.800 0.105 0.000 1.097 472 F CA 0.319 58.381 58.000 0.104 0.000 1.330 472 F CB 0.554 39.669 39.000 0.192 0.000 1.084 472 F HN 0.105 nan 8.300 nan 0.000 0.578 473 S N -0.047 115.767 115.700 0.190 0.000 2.733 473 S HA 0.319 4.788 4.470 -0.001 0.000 0.247 473 S C 0.413 175.089 174.600 0.125 0.000 1.043 473 S CA -0.306 57.987 58.200 0.155 0.000 1.066 473 S CB 0.308 63.589 63.200 0.135 0.000 1.045 473 S HN 0.007 nan 8.310 nan 0.000 0.586 474 L N 4.330 125.556 121.223 0.005 0.000 2.456 474 L HA 0.345 4.684 4.340 -0.001 0.000 0.272 474 L C 0.575 177.363 176.870 -0.136 0.000 1.189 474 L CA 0.207 54.947 54.840 -0.167 0.000 0.846 474 L CB 0.209 42.015 42.059 -0.421 0.000 1.111 474 L HN 0.488 nan 8.230 nan 0.000 0.475 475 H N -0.134 118.725 119.070 -0.352 0.000 2.918 475 H HA 0.221 4.776 4.556 -0.001 0.000 0.303 475 H C -0.336 174.850 175.328 -0.238 0.000 1.380 475 H CA -0.847 55.057 56.048 -0.240 0.000 1.134 475 H CB 1.318 31.056 29.762 -0.040 0.000 1.842 475 H HN 0.451 nan 8.280 nan 0.000 0.533 476 S N -0.213 115.419 115.700 -0.114 0.000 3.608 476 S HA -0.214 4.256 4.470 -0.001 0.000 0.382 476 S C -0.454 174.130 174.600 -0.026 0.000 0.945 476 S CA 0.514 58.674 58.200 -0.067 0.000 1.256 476 S CB -2.528 60.534 63.200 -0.230 0.000 0.913 476 S HN 0.473 nan 8.310 nan 0.000 0.518 477 Y N 1.805 122.128 120.300 0.039 0.000 2.426 477 Y HA 0.267 4.816 4.550 -0.001 0.000 0.344 477 Y C 1.381 177.323 175.900 0.071 0.000 1.256 477 Y CA 0.480 58.612 58.100 0.053 0.000 1.451 477 Y CB 0.421 38.905 38.460 0.040 0.000 1.342 477 Y HN 0.514 nan 8.280 nan 0.000 0.600 478 S N 2.135 117.988 115.700 0.255 0.000 2.562 478 S HA 0.106 4.575 4.470 -0.001 0.000 0.281 478 S C -1.981 172.699 174.600 0.133 0.000 1.333 478 S CA -1.157 57.134 58.200 0.151 0.000 1.052 478 S CB 1.186 64.450 63.200 0.107 0.000 0.884 478 S HN 0.443 nan 8.310 nan 0.000 0.506 479 P HA 0.008 nan 4.420 nan 0.000 0.216 479 P C 1.736 179.071 177.300 0.058 0.000 1.150 479 P CA 1.600 64.744 63.100 0.074 0.000 0.837 479 P CB -0.449 31.286 31.700 0.058 0.000 0.786 480 G N 0.122 108.951 108.800 0.049 0.000 2.440 480 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.218 480 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.218 480 G C 1.667 176.585 174.900 0.028 0.000 1.154 480 G CA 1.039 46.158 45.100 0.031 0.000 0.767 480 G HN 0.297 nan 8.290 nan 0.000 0.552 481 E N 0.489 120.720 120.200 0.052 0.000 2.072 481 E HA -0.021 4.328 4.350 -0.001 0.000 0.191 481 E C 2.405 179.025 176.600 0.032 0.000 0.985 481 E CA 0.650 57.083 56.400 0.055 0.000 0.801 481 E CB -0.347 29.427 29.700 0.123 0.000 0.750 481 E HN 0.503 nan 8.360 nan 0.000 0.452 482 I N 0.865 121.460 120.570 0.042 0.000 2.226 482 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 482 I C 1.818 177.943 176.117 0.013 0.000 1.100 482 I CA 1.086 62.396 61.300 0.018 0.000 1.374 482 I CB -0.396 37.634 38.000 0.050 0.000 1.057 482 I HN 0.158 nan 8.210 nan 0.000 0.413 483 N N 0.653 119.365 118.700 0.020 0.000 2.188 483 N HA -0.183 4.556 4.740 -0.001 0.000 0.184 483 N C 1.856 177.363 175.510 -0.006 0.000 1.018 483 N CA 1.021 54.078 53.050 0.012 0.000 0.858 483 N CB -0.418 38.078 38.487 0.014 0.000 0.989 483 N HN 0.319 nan 8.380 nan 0.000 0.426 484 R N 0.795 121.285 120.500 -0.017 0.000 2.073 484 R HA -0.046 4.294 4.340 -0.001 0.000 0.234 484 R C 1.845 178.105 176.300 -0.067 0.000 1.134 484 R CA 1.076 57.148 56.100 -0.048 0.000 0.952 484 R CB -0.265 29.997 30.300 -0.065 0.000 0.850 484 R HN -0.045 nan 8.270 nan 0.000 0.433 485 V N 1.093 120.974 119.914 -0.056 0.000 2.261 485 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 485 V C 2.491 178.568 176.094 -0.029 0.000 1.047 485 V CA 2.005 64.269 62.300 -0.061 0.000 1.015 485 V CB -0.875 30.938 31.823 -0.017 0.000 0.642 485 V HN 0.595 nan 8.190 nan 0.000 0.446 486 A N -0.124 122.694 122.820 -0.002 0.000 1.917 486 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 486 A C 2.439 180.030 177.584 0.012 0.000 1.182 486 A CA 2.491 54.541 52.037 0.021 0.000 0.633 486 A CB -0.779 18.239 19.000 0.029 0.000 0.819 486 A HN 0.549 nan 8.150 nan 0.000 0.448 487 S N -1.553 114.144 115.700 -0.005 0.000 2.423 487 S HA -0.163 4.306 4.470 -0.001 0.000 0.231 487 S C 1.904 176.494 174.600 -0.017 0.000 1.014 487 S CA 1.012 59.207 58.200 -0.009 0.000 0.965 487 S CB -0.769 62.421 63.200 -0.016 0.000 0.785 487 S HN 0.747 nan 8.310 nan 0.000 0.495 488 C N 1.641 120.918 119.300 -0.037 0.000 2.476 488 C HA 0.141 4.600 4.460 -0.001 0.000 0.278 488 C C 2.423 177.401 174.990 -0.021 0.000 1.274 488 C CA 0.271 59.256 59.018 -0.054 0.000 1.713 488 C CB -1.486 26.186 27.740 -0.113 0.000 2.039 488 C HN 0.562 nan 8.230 nan 0.000 0.484 489 L N 0.669 121.894 121.223 0.004 0.000 2.042 489 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 489 L C 2.920 179.821 176.870 0.052 0.000 1.076 489 L CA 1.990 56.862 54.840 0.052 0.000 0.749 489 L CB -0.887 41.235 42.059 0.106 0.000 0.893 489 L HN 0.409 nan 8.230 nan 0.000 0.432 490 R N 1.098 121.620 120.500 0.037 0.000 2.066 490 R HA -0.206 4.133 4.340 -0.001 0.000 0.232 490 R C 2.386 178.700 176.300 0.023 0.000 1.131 490 R CA 1.758 57.877 56.100 0.031 0.000 0.955 490 R CB -0.159 30.155 30.300 0.024 0.000 0.851 490 R HN 0.227 nan 8.270 nan 0.000 0.432 491 K N 0.499 120.907 120.400 0.014 0.000 2.209 491 K HA -0.091 4.228 4.320 -0.001 0.000 0.204 491 K C 1.545 178.156 176.600 0.019 0.000 1.048 491 K CA 1.191 57.485 56.287 0.012 0.000 0.940 491 K CB 0.064 32.564 32.500 0.001 0.000 0.729 491 K HN 0.297 nan 8.250 nan 0.000 0.451 492 L N -0.118 121.118 121.223 0.022 0.000 2.640 492 L HA 0.219 4.558 4.340 -0.001 0.000 0.230 492 L C 0.735 177.628 176.870 0.039 0.000 1.123 492 L CA 0.288 55.146 54.840 0.030 0.000 0.900 492 L CB 0.550 42.623 42.059 0.022 0.000 1.146 492 L HN 0.509 nan 8.230 nan 0.000 0.484 493 G N 1.466 110.290 108.800 0.039 0.000 2.176 493 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.252 493 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.252 493 G C 0.075 175.008 174.900 0.055 0.000 1.024 493 G CA 0.458 45.581 45.100 0.040 0.000 0.755 493 G HN 0.276 nan 8.290 nan 0.000 0.507 494 V N -1.625 118.341 119.914 0.086 0.000 2.612 494 V HA 0.886 5.005 4.120 -0.001 0.000 0.301 494 V C -1.689 174.516 176.094 0.184 0.000 1.046 494 V CA -2.358 60.032 62.300 0.150 0.000 0.946 494 V CB 1.689 33.634 31.823 0.204 0.000 1.003 494 V HN 0.052 nan 8.190 nan 0.000 0.459 495 P HA 0.172 nan 4.420 nan 0.000 0.267 495 P C -2.626 174.799 177.300 0.209 0.000 1.195 495 P CA -0.286 62.832 63.100 0.031 0.000 0.773 495 P CB -0.247 31.260 31.700 -0.321 0.000 0.837 496 P HA 0.177 nan 4.420 nan 0.000 0.281 496 P C 0.725 178.187 177.300 0.270 0.000 1.281 496 P CA -0.327 62.881 63.100 0.181 0.000 0.811 496 P CB 0.842 32.596 31.700 0.090 0.000 1.154 497 L N 0.022 121.413 121.223 0.280 0.000 2.127 497 L HA -0.194 4.146 4.340 -0.001 0.000 0.211 497 L C 2.849 179.892 176.870 0.288 0.000 1.089 497 L CA 1.746 56.788 54.840 0.337 0.000 0.757 497 L CB -0.803 41.372 42.059 0.194 0.000 0.899 497 L HN 0.467 nan 8.230 nan 0.000 0.434 498 R N -0.223 120.381 120.500 0.175 0.000 2.096 498 R HA -0.107 4.232 4.340 -0.001 0.000 0.235 498 R C 1.967 178.335 176.300 0.113 0.000 1.127 498 R CA 1.450 57.636 56.100 0.142 0.000 0.968 498 R CB -1.028 29.320 30.300 0.081 0.000 0.861 498 R HN 0.127 nan 8.270 nan 0.000 0.440 499 V N 0.567 120.484 119.914 0.005 0.000 2.343 499 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 499 V C 1.932 177.962 176.094 -0.108 0.000 1.051 499 V CA 1.913 64.121 62.300 -0.155 0.000 1.036 499 V CB -0.698 30.906 31.823 -0.364 0.000 0.654 499 V HN 0.410 nan 8.190 nan 0.000 0.451 500 W N -0.010 121.402 121.300 0.186 0.000 2.402 500 W HA -0.059 4.600 4.660 -0.002 0.000 0.286 500 W C 2.720 179.462 176.519 0.373 0.000 1.221 500 W CA 1.188 58.688 57.345 0.258 0.000 1.257 500 W CB -0.231 29.368 29.460 0.233 0.000 1.120 500 W HN 0.052 nan 8.180 nan 0.000 0.551 501 R N -0.192 120.635 120.500 0.546 0.000 2.075 501 R HA -0.200 4.139 4.340 -0.001 0.000 0.232 501 R C 2.392 178.836 176.300 0.240 0.000 1.126 501 R CA 1.759 58.148 56.100 0.482 0.000 0.963 501 R CB -0.816 29.731 30.300 0.410 0.000 0.858 501 R HN 0.268 nan 8.270 nan 0.000 0.435 502 H N 0.762 119.894 119.070 0.104 0.000 2.299 502 H HA -0.060 4.495 4.556 -0.001 0.000 0.302 502 H C 1.871 177.192 175.328 -0.011 0.000 1.078 502 H CA 1.823 57.880 56.048 0.016 0.000 1.323 502 H CB 0.043 29.796 29.762 -0.015 0.000 1.381 502 H HN 0.158 nan 8.280 nan 0.000 0.498 503 R N 0.128 120.714 120.500 0.143 0.000 2.117 503 R HA -0.124 4.215 4.340 -0.001 0.000 0.243 503 R C 2.563 178.852 176.300 -0.017 0.000 1.143 503 R CA 1.309 57.445 56.100 0.060 0.000 0.968 503 R CB -0.247 30.108 30.300 0.092 0.000 0.863 503 R HN 0.363 nan 8.270 nan 0.000 0.444 504 A N 0.750 123.598 122.820 0.047 0.000 1.968 504 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 504 A C 1.982 179.357 177.584 -0.347 0.000 1.169 504 A CA 0.839 52.807 52.037 -0.114 0.000 0.638 504 A CB -0.225 18.813 19.000 0.064 0.000 0.812 504 A HN 0.197 nan 8.150 nan 0.000 0.446 505 R N -0.398 119.936 120.500 -0.278 0.000 2.120 505 R HA -0.103 4.237 4.340 -0.001 0.000 0.234 505 R C 2.597 178.722 176.300 -0.292 0.000 1.123 505 R CA 1.470 57.394 56.100 -0.293 0.000 0.975 505 R CB -0.299 29.850 30.300 -0.252 0.000 0.866 505 R HN 0.609 nan 8.270 nan 0.000 0.446 506 S N 0.308 115.834 115.700 -0.290 0.000 2.357 506 S HA -0.077 4.392 4.470 -0.001 0.000 0.221 506 S C 2.092 176.550 174.600 -0.238 0.000 1.031 506 S CA 1.055 59.110 58.200 -0.242 0.000 0.982 506 S CB -0.159 62.914 63.200 -0.213 0.000 0.853 506 S HN 0.083 nan 8.310 nan 0.000 0.458 507 V N 2.578 122.320 119.914 -0.287 0.000 2.324 507 V HA -0.183 3.936 4.120 -0.001 0.000 0.250 507 V C 2.827 178.636 176.094 -0.475 0.000 1.060 507 V CA 2.377 64.456 62.300 -0.369 0.000 1.042 507 V CB -0.885 30.635 31.823 -0.505 0.000 0.650 507 V HN 0.535 nan 8.190 nan 0.000 0.450 508 R N 0.025 120.185 120.500 -0.567 0.000 2.073 508 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 508 R C 2.325 178.475 176.300 -0.251 0.000 1.134 508 R CA 1.680 57.519 56.100 -0.435 0.000 0.952 508 R CB -0.470 29.613 30.300 -0.362 0.000 0.850 508 R HN 0.481 nan 8.270 nan 0.000 0.433 509 A N 0.896 123.585 122.820 -0.219 0.000 1.877 509 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 509 A C 2.196 179.707 177.584 -0.123 0.000 1.186 509 A CA 1.574 53.519 52.037 -0.154 0.000 0.620 509 A CB -0.531 18.383 19.000 -0.143 0.000 0.822 509 A HN 0.348 nan 8.150 nan 0.000 0.443 510 R N -0.594 119.829 120.500 -0.129 0.000 2.094 510 R HA -0.136 4.203 4.340 -0.001 0.000 0.239 510 R C 2.078 178.338 176.300 -0.066 0.000 1.137 510 R CA 2.001 58.048 56.100 -0.089 0.000 0.943 510 R CB -0.565 29.683 30.300 -0.086 0.000 0.850 510 R HN 0.561 nan 8.270 nan 0.000 0.433 511 L N -0.241 120.931 121.223 -0.086 0.000 2.083 511 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 511 L C 2.131 178.977 176.870 -0.041 0.000 1.083 511 L CA 0.672 55.485 54.840 -0.045 0.000 0.752 511 L CB -0.364 41.652 42.059 -0.072 0.000 0.899 511 L HN 0.188 nan 8.230 nan 0.000 0.433 512 L N -0.765 120.417 121.223 -0.069 0.000 2.131 512 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 512 L C 2.634 179.478 176.870 -0.043 0.000 1.092 512 L CA 1.498 56.302 54.840 -0.060 0.000 0.759 512 L CB -0.643 41.367 42.059 -0.082 0.000 0.903 512 L HN 0.117 nan 8.230 nan 0.000 0.435 513 S N -1.161 114.512 115.700 -0.044 0.000 2.383 513 S HA -0.174 4.295 4.470 -0.001 0.000 0.227 513 S C 1.778 176.367 174.600 -0.018 0.000 1.026 513 S CA 0.841 59.021 58.200 -0.033 0.000 0.981 513 S CB -0.164 63.014 63.200 -0.036 0.000 0.818 513 S HN 0.532 nan 8.310 nan 0.000 0.472 514 Q N 0.516 120.310 119.800 -0.010 0.000 2.369 514 Q HA 0.150 4.489 4.340 -0.001 0.000 0.206 514 Q C 1.274 177.279 176.000 0.009 0.000 0.963 514 Q CA 0.380 56.186 55.803 0.005 0.000 0.894 514 Q CB -0.278 28.472 28.738 0.020 0.000 0.965 514 Q HN 0.562 nan 8.270 nan 0.000 0.475 515 G N -0.060 108.741 108.800 0.002 0.000 2.894 515 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.247 515 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.247 515 G C 0.480 175.391 174.900 0.017 0.000 1.442 515 G CA -0.167 44.935 45.100 0.005 0.000 0.897 515 G HN 0.693 nan 8.290 nan 0.000 0.550 516 G N -0.591 108.220 108.800 0.018 0.000 2.583 516 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.292 516 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.292 516 G C 1.227 176.148 174.900 0.035 0.000 1.203 516 G CA 1.474 46.589 45.100 0.026 0.000 0.987 516 G HN 1.503 nan 8.290 nan 0.000 0.554 517 R N 0.713 121.240 120.500 0.045 0.000 2.119 517 R HA 0.282 4.621 4.340 -0.001 0.000 0.222 517 R C 3.095 179.440 176.300 0.074 0.000 1.088 517 R CA 1.456 57.591 56.100 0.058 0.000 0.984 517 R CB -0.392 29.946 30.300 0.063 0.000 0.884 517 R HN 0.615 nan 8.270 nan 0.000 0.447 518 A N 1.590 124.456 122.820 0.076 0.000 1.930 518 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 518 A C 2.355 179.964 177.584 0.041 0.000 1.175 518 A CA 1.470 53.560 52.037 0.088 0.000 0.627 518 A CB -0.408 18.645 19.000 0.089 0.000 0.815 518 A HN 0.343 nan 8.150 nan 0.000 0.443 519 A N -1.099 121.735 122.820 0.024 0.000 2.015 519 A HA -0.038 4.282 4.320 -0.001 0.000 0.219 519 A C 2.208 179.794 177.584 0.003 0.000 1.163 519 A CA 2.078 54.113 52.037 -0.003 0.000 0.646 519 A CB -0.985 18.011 19.000 -0.006 0.000 0.806 519 A HN 0.404 nan 8.150 nan 0.000 0.448 520 T N -1.253 113.326 114.554 0.043 0.000 2.904 520 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 520 T C 1.848 176.605 174.700 0.095 0.000 1.059 520 T CA 1.428 63.589 62.100 0.103 0.000 1.137 520 T CB -0.500 68.429 68.868 0.101 0.000 0.879 520 T HN 0.572 nan 8.240 nan 0.000 0.467 521 C N 1.262 120.581 119.300 0.033 0.000 2.446 521 C HA 0.100 4.559 4.460 -0.001 0.000 0.277 521 C C 3.075 178.028 174.990 -0.062 0.000 1.275 521 C CA 0.471 59.462 59.018 -0.046 0.000 1.727 521 C CB -1.371 26.322 27.740 -0.077 0.000 2.010 521 C HN 0.711 nan 8.230 nan 0.000 0.486 522 G N -0.075 108.707 108.800 -0.031 0.000 2.422 522 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.218 522 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.218 522 G C 1.681 176.552 174.900 -0.048 0.000 1.146 522 G CA 0.971 46.071 45.100 -0.000 0.000 0.769 522 G HN 0.619 nan 8.290 nan 0.000 0.547 523 K N -1.094 119.228 120.400 -0.131 0.000 2.103 523 K HA 0.012 4.331 4.320 -0.001 0.000 0.204 523 K C 2.027 178.330 176.600 -0.494 0.000 1.052 523 K CA 0.834 56.938 56.287 -0.305 0.000 0.945 523 K CB -0.136 32.139 32.500 -0.374 0.000 0.722 523 K HN 0.456 nan 8.250 nan 0.000 0.443 524 Y N 0.115 120.226 120.300 -0.315 0.000 2.314 524 Y HA 0.064 4.613 4.550 -0.002 0.000 0.294 524 Y C 1.884 177.471 175.900 -0.522 0.000 1.139 524 Y CA 0.445 58.170 58.100 -0.625 0.000 1.162 524 Y CB 0.154 37.958 38.460 -1.093 0.000 1.121 524 Y HN -0.114 nan 8.280 nan 0.000 0.529 525 L N -1.501 119.549 121.223 -0.290 0.000 2.217 525 L HA -0.115 4.224 4.340 -0.001 0.000 0.211 525 L C 0.546 177.093 176.870 -0.538 0.000 1.107 525 L CA 1.413 56.040 54.840 -0.354 0.000 0.783 525 L CB -0.259 41.437 42.059 -0.604 0.000 0.919 525 L HN 0.216 nan 8.230 nan 0.000 0.442 526 F N -1.555 118.316 119.950 -0.133 0.000 2.775 526 F HA 0.163 4.689 4.527 -0.002 0.000 0.313 526 F C 1.774 177.274 175.800 -0.501 0.000 1.121 526 F CA -0.326 57.409 58.000 -0.442 0.000 1.206 526 F CB -0.291 38.455 39.000 -0.423 0.000 1.052 526 F HN 0.026 nan 8.300 nan 0.000 0.524 527 N N 1.741 120.353 118.700 -0.147 0.000 2.272 527 N HA -0.206 4.533 4.740 -0.001 0.000 0.185 527 N C 1.808 177.283 175.510 -0.058 0.000 1.014 527 N CA 1.911 54.893 53.050 -0.112 0.000 0.870 527 N CB -0.160 38.285 38.487 -0.069 0.000 0.975 527 N HN 0.649 nan 8.380 nan 0.000 0.433 528 W N 0.109 121.446 121.300 0.062 0.000 2.467 528 W HA 0.186 4.845 4.660 -0.001 0.000 0.275 528 W C 1.554 178.129 176.519 0.092 0.000 1.239 528 W CA 0.535 57.927 57.345 0.078 0.000 1.266 528 W CB -0.678 28.843 29.460 0.100 0.000 1.112 528 W HN 0.033 nan 8.180 nan 0.000 0.576 529 A N 1.894 124.275 122.820 -0.731 0.000 2.123 529 A HA 0.131 4.450 4.320 -0.001 0.000 0.214 529 A C 1.317 178.756 177.584 -0.240 0.000 1.152 529 A CA 0.893 52.548 52.037 -0.637 0.000 0.728 529 A CB -1.042 17.335 19.000 -1.039 0.000 0.814 529 A HN 0.154 nan 8.150 nan 0.000 0.464 530 V N -1.143 118.658 119.914 -0.188 0.000 2.963 530 V HA 0.352 4.471 4.120 -0.001 0.000 0.306 530 V C 0.116 176.180 176.094 -0.050 0.000 1.077 530 V CA -1.143 61.088 62.300 -0.115 0.000 1.124 530 V CB 0.197 31.955 31.823 -0.108 0.000 0.987 530 V HN 0.440 nan 8.190 nan 0.000 0.487 531 K N 0.000 120.373 120.400 -0.045 0.000 2.780 531 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 531 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 531 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 531 K HN 0.000 nan 8.250 nan 0.000 0.543