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 3ogz_1_A DATA FIRST_RESID 3 DATA SEQUENCE NPSNSNLQAL REELCTPGLD QGHLFEGWPE TVDECNERQI ALLTDLYMFS DATA SEQUENCE NMYPGGVAQY IRNGHELLAR ESEEVDFAAL EMPPLIFEAP SLHRRTAERT DATA SEQUENCE ALENAGTAML CKTVFVLVAG GLGERLGYSS IKVSLPVETA TNTTYLAYYL DATA SEQUENCE RWAQRVGGKE VPFVIMTSDD THDRTLQLLR ELQLEVPNLH VLKQGQVFCF DATA SEQUENCE ADSAAHLALD ETGKLLRKPH GHGDVHSLIY NATVXXXXXX XXXXXXXXAQ DATA SEQUENCE PLVNDWLAAG YESIVFIQDT NAGATITIPI SLALSAEHSL DMNFTCIPRV DATA SEQUENCE PKEPIGLLCR TKKNSGDPWL VANVEYNVFA EVSRALXXXX XXXXXXXXGF DATA SEQUENCE SPFPGSVNTL VFKLSSYVDR LRESHGIVPE FINPKYSDET RRSFKKPARI DATA SEQUENCE ESLMQDIALL FSEDDYRVGG TVFERFSYQP VKNSLEEAAG LVAQGNGAYC DATA SEQUENCE AATGEAAFYE LQRRRLKAIG LPLFYSSQPE VTVAKDAFGV RLFPIIVLDT DATA SEQUENCE VCASSGSLDD LARVFPTPEK VHIDQHSTLI VEGRVIIESL ELYGALTIRG DATA SEQUENCE PTDSMALPHV VRNAVVRNAG WSVHAILSLC XXXXSRLSEV DRIRGFVLKK DATA SEQUENCE TAMAVMDC 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.492 175.510 -0.029 0.000 1.280 3 N CA 0.000 53.054 53.050 0.007 0.000 0.885 3 N CB 0.000 38.514 38.487 0.045 0.000 1.341 4 P HA 0.346 nan 4.420 nan 0.000 0.280 4 P C -0.448 176.715 177.300 -0.227 0.000 1.244 4 P CA -0.223 62.700 63.100 -0.295 0.000 0.784 4 P CB 1.231 32.506 31.700 -0.708 0.000 0.913 5 S N 1.692 117.276 115.700 -0.192 0.000 2.589 5 S HA 0.083 4.579 4.470 0.044 0.000 0.265 5 S C 1.108 175.629 174.600 -0.131 0.000 1.342 5 S CA -0.467 57.661 58.200 -0.119 0.000 1.005 5 S CB 0.481 63.637 63.200 -0.073 0.000 0.909 5 S HN 0.320 nan 8.310 nan 0.000 0.555 6 N N 1.583 120.236 118.700 -0.079 0.000 2.120 6 N HA -0.116 4.651 4.740 0.044 0.000 0.188 6 N C 2.115 177.592 175.510 -0.056 0.000 1.024 6 N CA 1.669 54.681 53.050 -0.062 0.000 0.852 6 N CB -0.936 37.528 38.487 -0.039 0.000 1.003 6 N HN 0.859 nan 8.380 nan 0.000 0.424 7 S N 0.646 116.319 115.700 -0.046 0.000 2.402 7 S HA -0.032 4.465 4.470 0.044 0.000 0.229 7 S C 1.656 176.239 174.600 -0.027 0.000 1.021 7 S CA 0.782 58.965 58.200 -0.029 0.000 0.974 7 S CB -0.233 62.957 63.200 -0.016 0.000 0.800 7 S HN 0.157 nan 8.310 nan 0.000 0.484 8 N N 1.946 120.611 118.700 -0.060 0.000 2.106 8 N HA 0.061 4.828 4.740 0.044 0.000 0.188 8 N C 1.499 176.984 175.510 -0.041 0.000 1.029 8 N CA 1.040 54.060 53.050 -0.050 0.000 0.848 8 N CB -0.776 37.598 38.487 -0.187 0.000 1.007 8 N HN 0.246 nan 8.380 nan 0.000 0.423 9 L N 1.096 122.239 121.223 -0.132 0.000 2.083 9 L HA -0.113 4.254 4.340 0.044 0.000 0.209 9 L C 2.324 179.194 176.870 -0.001 0.000 1.083 9 L CA 1.420 56.235 54.840 -0.041 0.000 0.752 9 L CB -1.364 40.666 42.059 -0.049 0.000 0.899 9 L HN 0.202 nan 8.230 nan 0.000 0.433 10 Q N -0.354 119.432 119.800 -0.024 0.000 2.079 10 Q HA -0.074 4.292 4.340 0.044 0.000 0.200 10 Q C 2.251 178.228 176.000 -0.039 0.000 0.974 10 Q CA 1.844 57.623 55.803 -0.040 0.000 0.840 10 Q CB -0.248 28.471 28.738 -0.032 0.000 0.898 10 Q HN 0.418 nan 8.270 nan 0.000 0.430 11 A N 0.087 122.907 122.820 0.000 0.000 1.933 11 A HA -0.126 4.220 4.320 0.044 0.000 0.218 11 A C 1.981 179.586 177.584 0.035 0.000 1.175 11 A CA 1.483 53.532 52.037 0.020 0.000 0.628 11 A CB -0.795 18.235 19.000 0.049 0.000 0.814 11 A HN 0.468 nan 8.150 nan 0.000 0.444 12 L N -0.026 121.245 121.223 0.079 0.000 2.056 12 L HA -0.067 4.299 4.340 0.044 0.000 0.207 12 L C 2.428 179.312 176.870 0.023 0.000 1.078 12 L CA 2.347 57.252 54.840 0.108 0.000 0.749 12 L CB -0.694 41.505 42.059 0.233 0.000 0.901 12 L HN 0.487 nan 8.230 nan 0.000 0.433 13 R N -0.275 120.175 120.500 -0.083 0.000 2.083 13 R HA -0.204 4.162 4.340 0.044 0.000 0.237 13 R C 2.075 178.179 176.300 -0.326 0.000 1.137 13 R CA 2.098 57.973 56.100 -0.375 0.000 0.951 13 R CB -0.292 29.648 30.300 -0.601 0.000 0.851 13 R HN 0.564 nan 8.270 nan 0.000 0.434 14 E N 0.041 120.130 120.200 -0.185 0.000 2.106 14 E HA -0.225 4.151 4.350 0.044 0.000 0.192 14 E C 1.948 178.521 176.600 -0.045 0.000 0.984 14 E CA 1.245 57.576 56.400 -0.116 0.000 0.806 14 E CB -0.097 29.559 29.700 -0.072 0.000 0.750 14 E HN 0.515 nan 8.360 nan 0.000 0.458 15 E N 1.264 121.458 120.200 -0.011 0.000 2.058 15 E HA -0.195 4.182 4.350 0.044 0.000 0.194 15 E C 2.023 178.653 176.600 0.049 0.000 0.997 15 E CA 0.816 57.233 56.400 0.029 0.000 0.801 15 E CB -0.036 29.696 29.700 0.052 0.000 0.746 15 E HN 0.219 nan 8.360 nan 0.000 0.450 16 L N 0.287 121.548 121.223 0.063 0.000 2.456 16 L HA -0.119 4.247 4.340 0.044 0.000 0.224 16 L C 1.980 178.923 176.870 0.121 0.000 1.148 16 L CA 0.157 55.065 54.840 0.112 0.000 0.825 16 L CB -0.030 42.134 42.059 0.175 0.000 0.937 16 L HN 0.374 nan 8.230 nan 0.000 0.450 17 C N -0.863 118.483 119.300 0.076 0.000 2.697 17 C HA 0.062 4.549 4.460 0.044 0.000 0.267 17 C C 1.710 176.733 174.990 0.055 0.000 1.278 17 C CA -0.183 58.879 59.018 0.073 0.000 1.708 17 C CB -1.017 26.737 27.740 0.023 0.000 1.860 17 C HN 0.509 nan 8.230 nan 0.000 0.589 18 T N -0.205 114.378 114.554 0.048 0.000 2.899 18 T HA 0.292 4.669 4.350 0.044 0.000 0.295 18 T C -2.829 171.897 174.700 0.044 0.000 1.033 18 T CA -1.349 60.774 62.100 0.038 0.000 1.084 18 T CB 0.391 69.278 68.868 0.032 0.000 0.979 18 T HN -0.040 nan 8.240 nan 0.000 0.532 19 P HA 0.244 nan 4.420 nan 0.000 0.264 19 P C 1.171 178.477 177.300 0.010 0.000 1.183 19 P CA 1.270 64.381 63.100 0.017 0.000 0.763 19 P CB 0.138 31.840 31.700 0.003 0.000 0.807 20 G N 1.778 110.573 108.800 -0.008 0.000 2.234 20 G HA2 -0.255 3.732 3.960 0.044 0.000 0.235 20 G HA3 -0.255 3.732 3.960 0.044 0.000 0.235 20 G C 0.554 175.515 174.900 0.102 0.000 0.997 20 G CA 0.250 45.331 45.100 -0.032 0.000 0.623 20 G HN 0.481 nan 8.290 nan 0.000 0.514 21 L N -0.907 120.381 121.223 0.109 0.000 2.588 21 L HA 0.319 4.686 4.340 0.044 0.000 0.194 21 L C 0.712 177.657 176.870 0.126 0.000 1.070 21 L CA 0.437 55.359 54.840 0.138 0.000 0.852 21 L CB 0.007 42.133 42.059 0.113 0.000 1.199 21 L HN 0.096 nan 8.230 nan 0.000 0.486 22 D N 1.631 122.104 120.400 0.123 0.000 2.697 22 D HA -0.168 4.498 4.640 0.044 0.000 0.238 22 D C 0.205 176.657 176.300 0.253 0.000 1.152 22 D CA 0.505 54.607 54.000 0.169 0.000 0.666 22 D CB -0.491 40.419 40.800 0.184 0.000 1.037 22 D HN 0.390 nan 8.370 nan 0.000 0.423 23 Q N -0.912 118.986 119.800 0.164 0.000 2.237 23 Q HA 0.218 4.585 4.340 0.044 0.000 0.252 23 Q C 1.911 177.826 176.000 -0.142 0.000 0.877 23 Q CA 0.348 56.173 55.803 0.037 0.000 1.011 23 Q CB 0.637 29.341 28.738 -0.058 0.000 1.118 23 Q HN 0.475 nan 8.270 nan 0.000 0.458 24 G N 1.560 110.386 108.800 0.045 0.000 2.469 24 G HA2 -0.300 3.687 3.960 0.044 0.000 0.220 24 G HA3 -0.300 3.687 3.960 0.044 0.000 0.220 24 G C 1.260 176.067 174.900 -0.156 0.000 1.136 24 G CA 1.107 46.230 45.100 0.038 0.000 0.759 24 G HN 0.616 nan 8.290 nan 0.000 0.562 25 H N 0.379 119.341 119.070 -0.180 0.000 2.518 25 H HA 0.053 4.636 4.556 0.044 0.000 0.292 25 H C 2.077 177.180 175.328 -0.376 0.000 1.068 25 H CA 0.839 56.746 56.048 -0.235 0.000 1.275 25 H CB -0.447 29.179 29.762 -0.227 0.000 1.375 25 H HN 0.372 nan 8.280 nan 0.000 0.563 26 L N -0.343 120.196 121.223 -1.139 0.000 2.341 26 L HA 0.023 4.389 4.340 0.044 0.000 0.214 26 L C 0.890 176.804 176.870 -1.595 0.000 1.115 26 L CA 0.588 54.616 54.840 -1.355 0.000 0.820 26 L CB -0.108 40.912 42.059 -1.732 0.000 0.944 26 L HN 0.130 nan 8.230 nan 0.000 0.452 27 F N -0.985 118.418 119.950 -0.911 0.000 2.735 27 F HA 0.213 4.767 4.527 0.045 0.000 0.304 27 F C 0.892 176.265 175.800 -0.713 0.000 1.119 27 F CA -0.742 56.337 58.000 -1.536 0.000 1.280 27 F CB -0.049 38.285 39.000 -1.108 0.000 0.994 27 F HN -0.065 nan 8.300 nan 0.000 0.520 28 E N 1.650 121.693 120.200 -0.261 0.000 2.406 28 E HA 0.276 4.652 4.350 0.044 0.000 0.258 28 E C 1.239 177.956 176.600 0.195 0.000 1.043 28 E CA 0.786 57.186 56.400 0.000 0.000 0.929 28 E CB 0.167 29.867 29.700 -0.000 0.000 0.969 28 E HN 0.626 nan 8.360 nan 0.000 0.462 29 G N 3.965 112.888 108.800 0.205 0.000 2.147 29 G HA2 -0.243 3.743 3.960 0.044 0.000 0.244 29 G HA3 -0.243 3.743 3.960 0.044 0.000 0.244 29 G C -0.561 174.561 174.900 0.370 0.000 1.005 29 G CA 0.029 45.270 45.100 0.236 0.000 0.713 29 G HN 0.451 nan 8.290 nan 0.000 0.515 30 W N 0.174 121.510 121.300 0.060 0.000 2.283 30 W HA 0.626 5.312 4.660 0.044 0.000 0.341 30 W C -1.336 175.202 176.519 0.033 0.000 1.206 30 W CA -2.408 54.973 57.345 0.059 0.000 1.294 30 W CB -0.389 29.137 29.460 0.109 0.000 1.154 30 W HN 0.025 nan 8.180 nan 0.000 0.613 31 P HA -0.034 nan 4.420 nan 0.000 0.271 31 P C 0.849 178.223 177.300 0.123 0.000 1.244 31 P CA -0.107 63.058 63.100 0.108 0.000 0.793 31 P CB 0.720 32.444 31.700 0.040 0.000 0.984 32 E N -0.727 119.514 120.200 0.068 0.000 2.047 32 E HA -0.096 4.280 4.350 0.044 0.000 0.191 32 E C 0.374 176.994 176.600 0.034 0.000 0.987 32 E CA 1.024 57.452 56.400 0.046 0.000 0.799 32 E CB 0.132 29.848 29.700 0.025 0.000 0.752 32 E HN 0.451 nan 8.360 nan 0.000 0.449 33 T N -1.338 113.233 114.554 0.029 0.000 2.930 33 T HA 0.236 4.613 4.350 0.044 0.000 0.290 33 T C 1.098 175.812 174.700 0.023 0.000 1.052 33 T CA -0.588 61.521 62.100 0.016 0.000 1.017 33 T CB 1.776 70.645 68.868 0.002 0.000 1.137 33 T HN -0.091 nan 8.240 nan 0.000 0.511 34 V N 2.653 122.576 119.914 0.015 0.000 2.324 34 V HA -0.158 3.989 4.120 0.044 0.000 0.250 34 V C 2.105 178.196 176.094 -0.006 0.000 1.060 34 V CA 2.519 64.828 62.300 0.015 0.000 1.042 34 V CB -0.738 31.086 31.823 0.002 0.000 0.650 34 V HN 0.870 nan 8.190 nan 0.000 0.450 35 D N -0.089 120.305 120.400 -0.010 0.000 2.182 35 D HA -0.180 4.486 4.640 0.044 0.000 0.201 35 D C 2.083 178.369 176.300 -0.024 0.000 0.986 35 D CA 1.348 55.337 54.000 -0.018 0.000 0.847 35 D CB -0.227 40.565 40.800 -0.014 0.000 0.942 35 D HN 0.607 nan 8.370 nan 0.000 0.467 36 E N -0.417 119.771 120.200 -0.019 0.000 2.371 36 E HA 0.032 4.409 4.350 0.044 0.000 0.194 36 E C 0.279 176.847 176.600 -0.054 0.000 1.012 36 E CA 0.040 56.425 56.400 -0.026 0.000 0.860 36 E CB 0.145 29.839 29.700 -0.009 0.000 0.811 36 E HN 0.207 nan 8.360 nan 0.000 0.502 37 C N 3.194 122.455 119.300 -0.065 0.000 2.644 37 C HA 0.076 4.562 4.460 0.044 0.000 0.417 37 C C 0.969 175.865 174.990 -0.157 0.000 1.304 37 C CA -1.249 57.680 59.018 -0.147 0.000 2.035 37 C CB -0.625 27.026 27.740 -0.149 0.000 2.673 37 C HN 0.467 nan 8.230 nan 0.000 0.602 38 N N 2.200 120.769 118.700 -0.218 0.000 2.328 38 N HA 0.079 4.845 4.740 0.044 0.000 0.277 38 N C 0.812 176.230 175.510 -0.153 0.000 1.286 38 N CA -0.177 52.773 53.050 -0.166 0.000 0.949 38 N CB 0.227 38.613 38.487 -0.169 0.000 1.136 38 N HN 0.609 nan 8.380 nan 0.000 0.550 39 E N -0.422 119.712 120.200 -0.111 0.000 2.047 39 E HA -0.180 4.197 4.350 0.044 0.000 0.191 39 E C 1.750 178.297 176.600 -0.087 0.000 0.987 39 E CA 0.857 57.209 56.400 -0.080 0.000 0.799 39 E CB -0.249 29.418 29.700 -0.055 0.000 0.752 39 E HN 0.602 nan 8.360 nan 0.000 0.449 40 R N 0.896 121.330 120.500 -0.109 0.000 2.081 40 R HA -0.160 4.206 4.340 0.044 0.000 0.235 40 R C 2.245 178.470 176.300 -0.126 0.000 1.131 40 R CA 1.543 57.587 56.100 -0.093 0.000 0.960 40 R CB 0.011 30.255 30.300 -0.093 0.000 0.856 40 R HN 0.219 nan 8.270 nan 0.000 0.436 41 Q N -0.069 119.544 119.800 -0.311 0.000 2.079 41 Q HA -0.150 4.216 4.340 0.044 0.000 0.200 41 Q C 2.098 178.003 176.000 -0.157 0.000 0.974 41 Q CA 1.256 56.713 55.803 -0.576 0.000 0.840 41 Q CB -0.125 27.823 28.738 -1.316 0.000 0.898 41 Q HN 0.255 nan 8.270 nan 0.000 0.430 42 I N 0.824 121.325 120.570 -0.114 0.000 2.361 42 I HA -0.223 3.974 4.170 0.044 0.000 0.251 42 I C 1.996 178.144 176.117 0.052 0.000 1.133 42 I CA 1.104 62.403 61.300 -0.002 0.000 1.413 42 I CB -0.332 37.651 38.000 -0.030 0.000 1.073 42 I HN 0.130 nan 8.210 nan 0.000 0.424 43 A N -0.311 122.529 122.820 0.034 0.000 1.929 43 A HA -0.141 4.205 4.320 0.044 0.000 0.216 43 A C 2.314 179.963 177.584 0.109 0.000 1.176 43 A CA 1.597 53.670 52.037 0.060 0.000 0.628 43 A CB -0.886 18.135 19.000 0.034 0.000 0.816 43 A HN 0.497 nan 8.150 nan 0.000 0.444 44 L N -0.768 120.545 121.223 0.149 0.000 2.056 44 L HA -0.053 4.314 4.340 0.044 0.000 0.207 44 L C 2.349 179.350 176.870 0.218 0.000 1.078 44 L CA 1.204 56.158 54.840 0.190 0.000 0.749 44 L CB -0.178 42.056 42.059 0.290 0.000 0.901 44 L HN 0.387 nan 8.230 nan 0.000 0.433 45 L N -0.835 120.570 121.223 0.304 0.000 2.056 45 L HA -0.206 4.161 4.340 0.044 0.000 0.207 45 L C 2.440 179.449 176.870 0.232 0.000 1.078 45 L CA 1.763 56.777 54.840 0.289 0.000 0.749 45 L CB -0.579 41.661 42.059 0.301 0.000 0.901 45 L HN 0.309 nan 8.230 nan 0.000 0.433 46 T N -1.382 113.282 114.554 0.183 0.000 2.746 46 T HA -0.222 4.155 4.350 0.044 0.000 0.267 46 T C 1.452 176.294 174.700 0.237 0.000 1.039 46 T CA 1.549 63.758 62.100 0.182 0.000 1.142 46 T CB -0.253 68.682 68.868 0.111 0.000 0.866 46 T HN 0.324 nan 8.240 nan 0.000 0.444 47 D N 1.067 121.590 120.400 0.204 0.000 2.104 47 D HA -0.067 4.600 4.640 0.044 0.000 0.194 47 D C 2.039 178.536 176.300 0.329 0.000 0.994 47 D CA 1.019 55.160 54.000 0.236 0.000 0.830 47 D CB -0.402 40.508 40.800 0.184 0.000 0.959 47 D HN 0.290 nan 8.370 nan 0.000 0.452 48 L N -0.735 120.628 121.223 0.235 0.000 2.017 48 L HA -0.193 4.174 4.340 0.044 0.000 0.208 48 L C 2.404 179.471 176.870 0.329 0.000 1.073 48 L CA 1.295 56.262 54.840 0.213 0.000 0.745 48 L CB -0.577 41.540 42.059 0.097 0.000 0.894 48 L HN 0.170 nan 8.230 nan 0.000 0.432 49 Y N -0.156 120.259 120.300 0.192 0.000 2.145 49 Y HA -0.259 4.317 4.550 0.044 0.000 0.286 49 Y C 2.581 178.590 175.900 0.182 0.000 1.145 49 Y CA 1.490 59.692 58.100 0.169 0.000 1.148 49 Y CB 0.045 38.578 38.460 0.121 0.000 0.981 49 Y HN 0.054 nan 8.280 nan 0.000 0.507 50 M N -0.805 118.991 119.600 0.328 0.000 2.549 50 M HA -0.183 4.324 4.480 0.044 0.000 0.260 50 M C 1.962 178.348 176.300 0.143 0.000 1.076 50 M CA 1.007 56.432 55.300 0.209 0.000 1.090 50 M CB -1.626 31.099 32.600 0.208 0.000 1.418 50 M HN 0.433 nan 8.290 nan 0.000 0.486 51 F N 0.953 120.924 119.950 0.036 0.000 2.307 51 F HA -0.217 4.336 4.527 0.044 0.000 0.301 51 F C 2.161 177.935 175.800 -0.043 0.000 1.076 51 F CA 0.912 58.886 58.000 -0.045 0.000 1.383 51 F CB 0.153 39.173 39.000 0.033 0.000 1.055 51 F HN 0.095 nan 8.300 nan 0.000 0.526 52 S N 0.459 116.127 115.700 -0.053 0.000 2.442 52 S HA -0.192 4.305 4.470 0.044 0.000 0.236 52 S C 1.468 175.975 174.600 -0.156 0.000 1.007 52 S CA 1.190 59.314 58.200 -0.125 0.000 0.965 52 S CB -0.526 62.574 63.200 -0.165 0.000 0.773 52 S HN 0.639 nan 8.310 nan 0.000 0.504 53 N N 0.441 119.057 118.700 -0.139 0.000 2.461 53 N HA 0.112 4.879 4.740 0.044 0.000 0.188 53 N C 1.018 176.428 175.510 -0.166 0.000 1.134 53 N CA 0.416 53.395 53.050 -0.118 0.000 0.878 53 N CB -0.134 38.315 38.487 -0.062 0.000 0.972 53 N HN 0.356 nan 8.380 nan 0.000 0.456 54 M N -1.680 117.750 119.600 -0.283 0.000 2.564 54 M HA 0.237 4.744 4.480 0.044 0.000 0.254 54 M C -0.859 175.200 176.300 -0.403 0.000 1.299 54 M CA 0.029 55.119 55.300 -0.350 0.000 1.143 54 M CB 0.859 33.169 32.600 -0.482 0.000 1.427 54 M HN 0.050 nan 8.290 nan 0.000 0.538 55 Y N 1.260 121.162 120.300 -0.663 0.000 2.421 55 Y HA 0.432 5.009 4.550 0.044 0.000 0.339 55 Y C -2.552 173.184 175.900 -0.272 0.000 0.996 55 Y CA -2.406 55.365 58.100 -0.548 0.000 1.046 55 Y CB 1.572 39.494 38.460 -0.897 0.000 1.226 55 Y HN -0.075 nan 8.280 nan 0.000 0.445 56 P HA 0.203 nan 4.420 nan 0.000 0.265 56 P C 0.402 177.671 177.300 -0.053 0.000 1.222 56 P CA 1.722 64.667 63.100 -0.257 0.000 0.767 56 P CB 0.486 32.001 31.700 -0.308 0.000 0.801 57 G N 2.662 111.476 108.800 0.023 0.000 2.175 57 G HA2 0.003 3.990 3.960 0.044 0.000 0.244 57 G HA3 0.003 3.990 3.960 0.044 0.000 0.244 57 G C 0.630 175.635 174.900 0.175 0.000 0.982 57 G CA 0.201 45.361 45.100 0.100 0.000 0.641 57 G HN 0.944 nan 8.290 nan 0.000 0.527 58 G N -1.536 107.377 108.800 0.189 0.000 2.601 58 G HA2 -0.035 3.951 3.960 0.044 0.000 0.261 58 G HA3 -0.035 3.951 3.960 0.044 0.000 0.261 58 G C 1.239 176.441 174.900 0.503 0.000 1.289 58 G CA 1.672 46.924 45.100 0.253 0.000 0.920 58 G HN 1.670 nan 8.290 nan 0.000 0.571 59 V N 0.694 120.928 119.914 0.533 0.000 2.515 59 V HA 0.172 4.318 4.120 0.044 0.000 0.250 59 V C 3.140 179.442 176.094 0.346 0.000 1.058 59 V CA 3.103 65.689 62.300 0.477 0.000 1.064 59 V CB -0.963 31.036 31.823 0.292 0.000 0.675 59 V HN 1.895 nan 8.190 nan 0.000 0.461 60 A N -0.598 122.380 122.820 0.262 0.000 1.877 60 A HA -0.269 4.078 4.320 0.044 0.000 0.216 60 A C 2.124 179.844 177.584 0.227 0.000 1.186 60 A CA 2.085 54.245 52.037 0.205 0.000 0.620 60 A CB -0.672 18.419 19.000 0.152 0.000 0.822 60 A HN 0.599 nan 8.150 nan 0.000 0.443 61 Q N -1.752 118.207 119.800 0.265 0.000 2.167 61 Q HA -0.155 4.211 4.340 0.044 0.000 0.202 61 Q C 1.718 177.933 176.000 0.357 0.000 0.970 61 Q CA 1.809 57.778 55.803 0.277 0.000 0.855 61 Q CB -0.587 28.316 28.738 0.274 0.000 0.911 61 Q HN 0.742 nan 8.270 nan 0.000 0.438 62 Y N -0.223 120.245 120.300 0.280 0.000 2.181 62 Y HA -0.155 4.421 4.550 0.044 0.000 0.288 62 Y C 1.610 177.636 175.900 0.210 0.000 1.146 62 Y CA 1.665 59.845 58.100 0.133 0.000 1.164 62 Y CB -0.022 38.415 38.460 -0.039 0.000 0.982 62 Y HN 0.142 nan 8.280 nan 0.000 0.515 63 I N -0.224 120.512 120.570 0.277 0.000 2.252 63 I HA -0.305 3.892 4.170 0.044 0.000 0.245 63 I C 2.438 178.463 176.117 -0.153 0.000 1.102 63 I CA 1.360 62.698 61.300 0.063 0.000 1.385 63 I CB -0.362 37.683 38.000 0.073 0.000 1.064 63 I HN 0.120 nan 8.210 nan 0.000 0.414 64 R N 0.595 121.120 120.500 0.042 0.000 2.081 64 R HA -0.138 4.229 4.340 0.044 0.000 0.235 64 R C 2.095 178.418 176.300 0.038 0.000 1.131 64 R CA 1.495 57.651 56.100 0.093 0.000 0.960 64 R CB -0.481 29.893 30.300 0.123 0.000 0.856 64 R HN 0.391 nan 8.270 nan 0.000 0.436 65 N N 0.192 118.912 118.700 0.032 0.000 2.166 65 N HA -0.109 4.658 4.740 0.044 0.000 0.186 65 N C 1.823 177.298 175.510 -0.059 0.000 1.019 65 N CA 1.472 54.535 53.050 0.022 0.000 0.856 65 N CB -0.684 37.855 38.487 0.087 0.000 0.993 65 N HN 0.331 nan 8.380 nan 0.000 0.426 66 G N 0.337 109.028 108.800 -0.183 0.000 2.446 66 G HA2 -0.271 3.716 3.960 0.044 0.000 0.217 66 G HA3 -0.271 3.716 3.960 0.044 0.000 0.217 66 G C 1.298 175.997 174.900 -0.334 0.000 1.168 66 G CA 1.012 45.908 45.100 -0.340 0.000 0.771 66 G HN 0.459 nan 8.290 nan 0.000 0.551 67 H N -0.305 118.621 119.070 -0.240 0.000 2.319 67 H HA -0.027 4.555 4.556 0.045 0.000 0.299 67 H C 2.473 177.746 175.328 -0.091 0.000 1.092 67 H CA 1.441 57.386 56.048 -0.172 0.000 1.302 67 H CB 0.092 29.772 29.762 -0.136 0.000 1.373 67 H HN 0.483 nan 8.280 nan 0.000 0.497 68 E N 0.824 121.063 120.200 0.065 0.000 2.051 68 E HA -0.168 4.208 4.350 0.044 0.000 0.192 68 E C 1.968 178.587 176.600 0.032 0.000 0.991 68 E CA 0.988 57.413 56.400 0.042 0.000 0.799 68 E CB 0.011 29.735 29.700 0.039 0.000 0.748 68 E HN 0.433 nan 8.360 nan 0.000 0.449 69 L N 0.396 121.634 121.223 0.025 0.000 2.109 69 L HA -0.128 4.239 4.340 0.044 0.000 0.207 69 L C 2.578 179.480 176.870 0.053 0.000 1.086 69 L CA 0.513 55.380 54.840 0.046 0.000 0.760 69 L CB -0.295 41.795 42.059 0.053 0.000 0.910 69 L HN 0.233 nan 8.230 nan 0.000 0.437 70 L N -0.196 121.047 121.223 0.033 0.000 2.046 70 L HA -0.209 4.158 4.340 0.044 0.000 0.208 70 L C 2.888 179.802 176.870 0.073 0.000 1.077 70 L CA 1.245 56.125 54.840 0.067 0.000 0.747 70 L CB -0.663 41.421 42.059 0.041 0.000 0.896 70 L HN 0.243 nan 8.230 nan 0.000 0.432 71 A N 0.059 122.908 122.820 0.048 0.000 1.858 71 A HA -0.256 4.091 4.320 0.044 0.000 0.216 71 A C 2.409 180.010 177.584 0.030 0.000 1.190 71 A CA 1.832 53.889 52.037 0.034 0.000 0.617 71 A CB -0.617 18.394 19.000 0.018 0.000 0.827 71 A HN 0.359 nan 8.150 nan 0.000 0.443 72 R N 0.373 120.891 120.500 0.029 0.000 2.096 72 R HA -0.248 4.119 4.340 0.044 0.000 0.240 72 R C 2.038 178.354 176.300 0.026 0.000 1.139 72 R CA 2.261 58.373 56.100 0.020 0.000 0.952 72 R CB -0.327 29.988 30.300 0.026 0.000 0.854 72 R HN 0.660 nan 8.270 nan 0.000 0.436 73 E N 0.204 120.438 120.200 0.056 0.000 2.418 73 E HA -0.098 4.278 4.350 0.044 0.000 0.197 73 E C 1.463 178.101 176.600 0.065 0.000 1.026 73 E CA 1.321 57.763 56.400 0.069 0.000 0.862 73 E CB -0.028 29.740 29.700 0.114 0.000 0.799 73 E HN 0.389 nan 8.360 nan 0.000 0.518 74 S N -0.651 115.083 115.700 0.058 0.000 2.561 74 S HA -0.015 4.482 4.470 0.044 0.000 0.225 74 S C 0.609 175.212 174.600 0.006 0.000 0.977 74 S CA -0.225 57.998 58.200 0.039 0.000 0.926 74 S CB -0.239 62.986 63.200 0.041 0.000 0.769 74 S HN 0.181 nan 8.310 nan 0.000 0.533 75 E N 1.503 121.702 120.200 -0.001 0.000 2.267 75 E HA 0.358 4.735 4.350 0.044 0.000 0.258 75 E C -0.648 175.933 176.600 -0.032 0.000 1.074 75 E CA -0.566 55.821 56.400 -0.022 0.000 0.915 75 E CB 0.535 30.217 29.700 -0.030 0.000 1.186 75 E HN 0.465 nan 8.360 nan 0.000 0.439 76 E N 0.688 120.862 120.200 -0.044 0.000 2.194 76 E HA 0.199 4.576 4.350 0.044 0.000 0.284 76 E C -0.581 175.967 176.600 -0.086 0.000 1.035 76 E CA -0.355 56.013 56.400 -0.054 0.000 0.836 76 E CB 1.260 30.931 29.700 -0.048 0.000 1.070 76 E HN 0.079 nan 8.360 nan 0.000 0.401 77 V N 5.521 125.376 119.914 -0.097 0.000 2.485 77 V HA -0.002 4.144 4.120 0.044 0.000 0.287 77 V C 0.282 176.267 176.094 -0.181 0.000 1.022 77 V CA 0.665 62.861 62.300 -0.172 0.000 1.067 77 V CB 0.034 31.766 31.823 -0.151 0.000 0.967 77 V HN 0.748 nan 8.190 nan 0.000 0.479 78 D N 4.630 124.854 120.400 -0.293 0.000 2.736 78 D HA 0.368 5.035 4.640 0.044 0.000 0.223 78 D C -1.268 174.829 176.300 -0.338 0.000 1.231 78 D CA -0.537 53.347 54.000 -0.194 0.000 0.818 78 D CB 1.685 42.436 40.800 -0.082 0.000 1.587 78 D HN 0.223 nan 8.370 nan 0.000 0.463 79 F N 0.252 120.177 119.950 -0.041 0.000 2.497 79 F HA 0.586 5.139 4.527 0.044 0.000 0.331 79 F C 1.638 177.410 175.800 -0.048 0.000 1.060 79 F CA -0.898 57.079 58.000 -0.038 0.000 0.989 79 F CB 1.879 40.870 39.000 -0.015 0.000 1.245 79 F HN 0.568 nan 8.300 nan 0.000 0.486 80 A N 1.112 124.003 122.820 0.118 0.000 2.119 80 A HA 0.579 4.926 4.320 0.044 0.000 0.216 80 A C 0.599 178.202 177.584 0.032 0.000 1.152 80 A CA 0.999 53.053 52.037 0.028 0.000 0.708 80 A CB -0.390 18.588 19.000 -0.037 0.000 0.805 80 A HN 0.783 nan 8.150 nan 0.000 0.460 81 A N -1.119 121.741 122.820 0.066 0.000 2.566 81 A HA 0.665 5.012 4.320 0.044 0.000 0.297 81 A C -1.340 176.360 177.584 0.194 0.000 1.059 81 A CA -0.272 51.828 52.037 0.105 0.000 0.691 81 A CB 0.894 19.892 19.000 -0.004 0.000 1.282 81 A HN 0.671 nan 8.150 nan 0.000 0.401 82 L N 2.025 123.388 121.223 0.232 0.000 2.562 82 L HA 0.682 5.049 4.340 0.044 0.000 0.266 82 L C -0.565 176.468 176.870 0.273 0.000 0.949 82 L CA -0.097 54.854 54.840 0.186 0.000 0.879 82 L CB 1.627 43.679 42.059 -0.012 0.000 1.278 82 L HN 1.108 nan 8.230 nan 0.000 0.404 83 E N 3.667 124.061 120.200 0.323 0.000 2.394 83 E HA 0.331 4.708 4.350 0.044 0.000 0.266 83 E C -1.353 175.343 176.600 0.161 0.000 1.065 83 E CA -1.145 55.443 56.400 0.313 0.000 0.885 83 E CB 1.504 31.241 29.700 0.061 0.000 1.659 83 E HN 0.408 nan 8.360 nan 0.000 0.462 84 M N 1.533 120.970 119.600 -0.272 0.000 2.239 84 M HA 0.277 4.784 4.480 0.044 0.000 0.348 84 M C -2.411 173.657 176.300 -0.387 0.000 1.239 84 M CA -1.758 53.180 55.300 -0.604 0.000 1.114 84 M CB 0.483 32.718 32.600 -0.608 0.000 1.641 84 M HN 0.251 nan 8.290 nan 0.000 0.453 85 P HA 0.143 nan 4.420 nan 0.000 0.267 85 P C -2.286 174.822 177.300 -0.320 0.000 1.205 85 P CA -0.847 62.080 63.100 -0.288 0.000 0.765 85 P CB 0.120 31.669 31.700 -0.251 0.000 0.828 86 P HA -0.054 nan 4.420 nan 0.000 0.218 86 P C 0.021 177.131 177.300 -0.317 0.000 1.149 86 P CA 1.324 64.255 63.100 -0.281 0.000 0.817 86 P CB 0.161 31.726 31.700 -0.227 0.000 0.785 87 L N 0.148 121.189 121.223 -0.302 0.000 2.417 87 L HA 0.366 4.732 4.340 0.044 0.000 0.258 87 L C -0.128 176.360 176.870 -0.636 0.000 1.088 87 L CA -0.251 54.335 54.840 -0.424 0.000 0.975 87 L CB 0.149 42.183 42.059 -0.041 0.000 1.341 87 L HN -0.127 nan 8.230 nan 0.000 0.431 88 I N 1.556 121.561 120.570 -0.942 0.000 2.465 88 I HA 0.467 4.664 4.170 0.044 0.000 0.291 88 I C -0.882 174.626 176.117 -1.015 0.000 1.014 88 I CA -0.428 60.435 61.300 -0.729 0.000 1.093 88 I CB 1.975 39.709 38.000 -0.444 0.000 1.267 88 I HN 0.187 nan 8.210 nan 0.000 0.431 89 F N 3.679 123.500 119.950 -0.214 0.000 2.529 89 F HA 0.407 4.961 4.527 0.044 0.000 0.320 89 F C 0.234 175.903 175.800 -0.219 0.000 1.118 89 F CA -0.878 56.983 58.000 -0.232 0.000 0.915 89 F CB 1.582 40.416 39.000 -0.277 0.000 1.161 89 F HN 0.281 nan 8.300 nan 0.000 0.445 90 E N 2.125 122.300 120.200 -0.041 0.000 2.194 90 E HA 0.480 4.857 4.350 0.044 0.000 0.284 90 E C -0.317 176.193 176.600 -0.150 0.000 1.035 90 E CA -0.366 55.963 56.400 -0.120 0.000 0.836 90 E CB 1.754 31.399 29.700 -0.091 0.000 1.070 90 E HN 0.687 nan 8.360 nan 0.000 0.401 91 A N 5.743 128.369 122.820 -0.322 0.000 2.371 91 A HA 0.420 4.767 4.320 0.044 0.000 0.257 91 A C -1.947 175.537 177.584 -0.167 0.000 1.089 91 A CA -1.129 50.705 52.037 -0.338 0.000 0.794 91 A CB -0.089 18.427 19.000 -0.807 0.000 1.029 91 A HN 0.352 nan 8.150 nan 0.000 0.488 92 P HA 0.126 nan 4.420 nan 0.000 0.274 92 P C 0.193 177.470 177.300 -0.038 0.000 1.237 92 P CA -0.211 62.857 63.100 -0.054 0.000 0.793 92 P CB 0.699 32.380 31.700 -0.033 0.000 0.977 93 S N 0.599 116.253 115.700 -0.078 0.000 2.558 93 S HA -0.040 4.457 4.470 0.044 0.000 0.287 93 S C 1.441 175.996 174.600 -0.075 0.000 1.321 93 S CA -0.446 57.679 58.200 -0.125 0.000 1.048 93 S CB -0.375 62.600 63.200 -0.374 0.000 0.844 93 S HN 0.409 nan 8.310 nan 0.000 0.512 94 L N 2.978 124.214 121.223 0.021 0.000 2.552 94 L HA 0.276 4.643 4.340 0.044 0.000 0.227 94 L C 1.191 178.114 176.870 0.089 0.000 1.146 94 L CA 1.419 56.318 54.840 0.099 0.000 0.858 94 L CB -0.966 41.208 42.059 0.191 0.000 0.969 94 L HN 0.884 nan 8.230 nan 0.000 0.451 95 H N -2.199 116.902 119.070 0.051 0.000 2.581 95 H HA 0.528 5.112 4.556 0.046 0.000 0.275 95 H C -0.150 175.180 175.328 0.004 0.000 1.126 95 H CA -0.753 55.305 56.048 0.016 0.000 1.097 95 H CB 0.096 29.849 29.762 -0.015 0.000 1.626 95 H HN 0.228 nan 8.280 nan 0.000 0.565 96 R N 1.180 121.593 120.500 -0.144 0.000 2.435 96 R HA 0.319 4.686 4.340 0.044 0.000 0.308 96 R C -0.581 175.701 176.300 -0.030 0.000 0.975 96 R CA -0.744 55.310 56.100 -0.077 0.000 0.867 96 R CB 1.807 32.023 30.300 -0.140 0.000 1.171 96 R HN 0.175 nan 8.270 nan 0.000 0.470 97 R N 2.706 123.206 120.500 -0.001 0.000 3.710 97 R HA 0.036 4.402 4.340 0.044 0.000 0.201 97 R C -0.102 176.199 176.300 0.002 0.000 1.641 97 R CA 0.070 56.174 56.100 0.008 0.000 1.390 97 R CB -0.204 30.106 30.300 0.016 0.000 1.341 97 R HN 0.626 nan 8.270 nan 0.000 0.728 98 T N -2.115 112.436 114.554 -0.005 0.000 2.847 98 T HA 0.322 4.698 4.350 0.044 0.000 0.279 98 T C 1.533 176.233 174.700 0.000 0.000 0.984 98 T CA -0.350 61.747 62.100 -0.005 0.000 0.988 98 T CB 1.770 70.630 68.868 -0.013 0.000 1.040 98 T HN 0.302 nan 8.240 nan 0.000 0.528 99 A N 0.067 122.887 122.820 -0.000 0.000 1.908 99 A HA -0.119 4.227 4.320 0.044 0.000 0.218 99 A C 2.286 179.870 177.584 0.001 0.000 1.181 99 A CA 1.990 54.028 52.037 0.001 0.000 0.627 99 A CB -1.142 17.857 19.000 -0.001 0.000 0.818 99 A HN 1.042 nan 8.150 nan 0.000 0.445 100 E N -0.632 119.567 120.200 -0.002 0.000 2.051 100 E HA -0.263 4.113 4.350 0.044 0.000 0.192 100 E C 2.262 178.864 176.600 0.003 0.000 0.991 100 E CA 1.390 57.788 56.400 -0.002 0.000 0.799 100 E CB -0.112 29.585 29.700 -0.005 0.000 0.748 100 E HN 0.448 nan 8.360 nan 0.000 0.449 101 R N 0.231 120.734 120.500 0.005 0.000 2.081 101 R HA -0.078 4.288 4.340 0.044 0.000 0.235 101 R C 2.209 178.525 176.300 0.027 0.000 1.131 101 R CA 2.261 58.371 56.100 0.018 0.000 0.960 101 R CB -0.844 29.464 30.300 0.013 0.000 0.856 101 R HN 0.136 nan 8.270 nan 0.000 0.436 102 T N 0.171 114.737 114.554 0.020 0.000 2.746 102 T HA -0.088 4.289 4.350 0.044 0.000 0.267 102 T C 1.751 176.464 174.700 0.021 0.000 1.039 102 T CA 1.444 63.558 62.100 0.023 0.000 1.142 102 T CB -0.456 68.422 68.868 0.017 0.000 0.866 102 T HN 0.441 nan 8.240 nan 0.000 0.444 103 A N 1.131 123.958 122.820 0.012 0.000 1.902 103 A HA 0.035 4.382 4.320 0.044 0.000 0.217 103 A C 2.297 179.886 177.584 0.008 0.000 1.181 103 A CA 1.150 53.190 52.037 0.005 0.000 0.623 103 A CB -0.773 18.223 19.000 -0.005 0.000 0.818 103 A HN 0.469 nan 8.150 nan 0.000 0.443 104 L N -0.851 120.380 121.223 0.014 0.000 2.056 104 L HA -0.171 4.196 4.340 0.044 0.000 0.207 104 L C 2.602 179.501 176.870 0.048 0.000 1.078 104 L CA 1.501 56.355 54.840 0.024 0.000 0.749 104 L CB -0.645 41.432 42.059 0.031 0.000 0.901 104 L HN 0.460 nan 8.230 nan 0.000 0.433 105 E N 0.222 120.457 120.200 0.058 0.000 2.110 105 E HA -0.215 4.161 4.350 0.044 0.000 0.193 105 E C 1.858 178.494 176.600 0.061 0.000 0.988 105 E CA 1.327 57.772 56.400 0.076 0.000 0.804 105 E CB -0.156 29.591 29.700 0.078 0.000 0.745 105 E HN 0.528 nan 8.360 nan 0.000 0.458 106 N N 0.379 119.103 118.700 0.041 0.000 2.039 106 N HA -0.172 4.595 4.740 0.044 0.000 0.193 106 N C 1.917 177.440 175.510 0.021 0.000 1.044 106 N CA 1.200 54.267 53.050 0.028 0.000 0.847 106 N CB -0.103 38.394 38.487 0.017 0.000 1.030 106 N HN 0.089 nan 8.380 nan 0.000 0.422 107 A N 0.501 123.329 122.820 0.014 0.000 1.883 107 A HA -0.100 4.247 4.320 0.044 0.000 0.217 107 A C 2.291 179.885 177.584 0.016 0.000 1.186 107 A CA 2.037 54.077 52.037 0.005 0.000 0.624 107 A CB -1.399 17.596 19.000 -0.009 0.000 0.822 107 A HN 0.462 nan 8.150 nan 0.000 0.444 108 G N -1.485 107.337 108.800 0.038 0.000 2.418 108 G HA2 -0.121 3.865 3.960 0.044 0.000 0.217 108 G HA3 -0.121 3.865 3.960 0.044 0.000 0.217 108 G C 1.558 176.499 174.900 0.069 0.000 1.158 108 G CA 1.611 46.748 45.100 0.061 0.000 0.771 108 G HN 0.441 nan 8.290 nan 0.000 0.545 109 T N 1.578 116.172 114.554 0.067 0.000 2.821 109 T HA 0.059 4.436 4.350 0.044 0.000 0.267 109 T C 2.810 177.521 174.700 0.020 0.000 1.046 109 T CA 1.351 63.486 62.100 0.058 0.000 1.139 109 T CB -0.299 68.604 68.868 0.058 0.000 0.871 109 T HN 0.360 nan 8.240 nan 0.000 0.454 110 A N 1.432 124.257 122.820 0.010 0.000 1.933 110 A HA -0.030 4.317 4.320 0.044 0.000 0.218 110 A C 2.280 179.853 177.584 -0.019 0.000 1.175 110 A CA 1.403 53.434 52.037 -0.010 0.000 0.628 110 A CB -0.664 18.328 19.000 -0.012 0.000 0.814 110 A HN 0.467 nan 8.150 nan 0.000 0.444 111 M N -0.634 118.961 119.600 -0.009 0.000 2.374 111 M HA -0.017 4.489 4.480 0.044 0.000 0.264 111 M C 1.763 178.049 176.300 -0.024 0.000 1.067 111 M CA 0.875 56.163 55.300 -0.020 0.000 1.103 111 M CB -0.393 32.202 32.600 -0.008 0.000 1.402 111 M HN 0.344 nan 8.290 nan 0.000 0.444 112 L N -0.849 120.376 121.223 0.004 0.000 2.265 112 L HA -0.217 4.149 4.340 0.044 0.000 0.215 112 L C 2.294 179.171 176.870 0.011 0.000 1.117 112 L CA 0.599 55.453 54.840 0.023 0.000 0.782 112 L CB -0.650 41.429 42.059 0.034 0.000 0.914 112 L HN 0.434 nan 8.230 nan 0.000 0.441 113 C N -0.251 119.036 119.300 -0.022 0.000 2.432 113 C HA -0.109 4.378 4.460 0.044 0.000 0.282 113 C C 1.855 176.799 174.990 -0.076 0.000 1.388 113 C CA 0.637 59.634 59.018 -0.034 0.000 1.777 113 C CB -0.874 26.828 27.740 -0.063 0.000 1.882 113 C HN 0.373 nan 8.230 nan 0.000 0.520 114 K N 0.112 120.451 120.400 -0.103 0.000 2.758 114 K HA 0.144 4.491 4.320 0.044 0.000 0.208 114 K C -0.416 176.210 176.600 0.043 0.000 1.091 114 K CA 0.097 56.262 56.287 -0.202 0.000 1.059 114 K CB 0.711 33.068 32.500 -0.238 0.000 0.801 114 K HN 0.273 nan 8.250 nan 0.000 0.470 115 T N 0.949 115.503 114.554 -0.000 0.000 2.823 115 T HA 0.294 4.671 4.350 0.044 0.000 0.279 115 T C -0.098 174.214 174.700 -0.645 0.000 0.998 115 T CA -0.506 61.379 62.100 -0.358 0.000 0.994 115 T CB 2.224 70.710 68.868 -0.638 0.000 0.960 115 T HN -0.171 nan 8.240 nan 0.000 0.448 116 V N 4.030 123.466 119.914 -0.797 0.000 2.509 116 V HA 0.486 4.633 4.120 0.044 0.000 0.284 116 V C -0.643 174.797 176.094 -1.090 0.000 1.047 116 V CA -0.562 61.114 62.300 -1.040 0.000 0.952 116 V CB 0.474 31.474 31.823 -1.372 0.000 0.988 116 V HN 0.738 nan 8.190 nan 0.000 0.469 117 F N 3.074 122.613 119.950 -0.685 0.000 2.469 117 F HA 0.687 5.241 4.527 0.045 0.000 0.332 117 F C -0.039 175.148 175.800 -1.023 0.000 1.103 117 F CA -0.837 56.698 58.000 -0.774 0.000 0.979 117 F CB 1.957 40.503 39.000 -0.757 0.000 1.137 117 F HN 0.133 nan 8.300 nan 0.000 0.463 118 V N 4.498 123.974 119.914 -0.730 0.000 2.483 118 V HA 0.393 4.539 4.120 0.044 0.000 0.297 118 V C -1.059 174.794 176.094 -0.401 0.000 1.027 118 V CA -0.692 61.218 62.300 -0.649 0.000 0.855 118 V CB 1.840 33.112 31.823 -0.919 0.000 0.995 118 V HN 0.534 nan 8.190 nan 0.000 0.424 119 L N 6.641 127.718 121.223 -0.244 0.000 2.287 119 L HA 0.639 5.005 4.340 0.044 0.000 0.287 119 L C -0.341 176.526 176.870 -0.005 0.000 1.022 119 L CA -0.013 54.786 54.840 -0.068 0.000 0.814 119 L CB 1.708 43.866 42.059 0.164 0.000 1.217 119 L HN 0.441 nan 8.230 nan 0.000 0.420 120 V N 5.846 125.738 119.914 -0.037 0.000 2.353 120 V HA 0.641 4.788 4.120 0.044 0.000 0.264 120 V C 0.584 176.616 176.094 -0.105 0.000 1.049 120 V CA 0.185 62.422 62.300 -0.105 0.000 0.896 120 V CB 0.598 32.319 31.823 -0.169 0.000 1.025 120 V HN 0.934 nan 8.190 nan 0.000 0.475 121 A N 3.810 126.592 122.820 -0.064 0.000 3.370 121 A HA 0.627 4.974 4.320 0.044 0.000 0.295 121 A C 0.936 178.536 177.584 0.027 0.000 1.030 121 A CA 0.187 52.229 52.037 0.009 0.000 0.883 121 A CB 0.469 19.517 19.000 0.081 0.000 1.191 121 A HN 0.838 nan 8.150 nan 0.000 0.507 122 G N -0.168 108.635 108.800 0.004 0.000 3.277 122 G HA2 0.448 4.435 3.960 0.044 0.000 0.243 122 G HA3 0.448 4.435 3.960 0.044 0.000 0.243 122 G C 0.539 175.515 174.900 0.127 0.000 1.107 122 G CA 0.497 45.649 45.100 0.086 0.000 0.771 122 G HN 0.961 nan 8.290 nan 0.000 0.544 123 G N 0.121 108.991 108.800 0.116 0.000 2.461 123 G HA2 0.577 4.564 3.960 0.044 0.000 0.323 123 G HA3 0.577 4.564 3.960 0.044 0.000 0.323 123 G C -0.305 174.650 174.900 0.091 0.000 1.229 123 G CA -0.660 44.508 45.100 0.113 0.000 0.941 123 G HN 0.164 nan 8.290 nan 0.000 0.477 124 L N 0.896 122.165 121.223 0.078 0.000 2.468 124 L HA 0.478 4.844 4.340 0.044 0.000 0.254 124 L C 1.538 178.463 176.870 0.091 0.000 1.171 124 L CA -0.540 54.341 54.840 0.069 0.000 0.809 124 L CB 1.163 43.240 42.059 0.030 0.000 1.155 124 L HN 0.632 nan 8.230 nan 0.000 0.473 125 G N -0.617 108.261 108.800 0.131 0.000 3.609 125 G HA2 0.125 4.112 3.960 0.044 0.000 0.280 125 G HA3 0.125 4.112 3.960 0.044 0.000 0.280 125 G C 0.798 175.771 174.900 0.123 0.000 1.155 125 G CA -0.262 44.940 45.100 0.169 0.000 0.876 125 G HN 0.785 nan 8.290 nan 0.000 0.535 126 E N 0.247 120.486 120.200 0.066 0.000 2.085 126 E HA -0.156 4.220 4.350 0.044 0.000 0.194 126 E C 2.483 179.113 176.600 0.050 0.000 0.994 126 E CA 0.488 56.914 56.400 0.042 0.000 0.801 126 E CB 0.021 29.734 29.700 0.022 0.000 0.743 126 E HN 0.209 nan 8.360 nan 0.000 0.453 127 R N 1.092 121.624 120.500 0.053 0.000 2.127 127 R HA -0.141 4.226 4.340 0.044 0.000 0.238 127 R C 2.092 178.425 176.300 0.054 0.000 1.134 127 R CA 1.087 57.217 56.100 0.050 0.000 0.975 127 R CB -0.338 29.991 30.300 0.049 0.000 0.865 127 R HN 0.253 nan 8.270 nan 0.000 0.447 128 L N -1.018 120.244 121.223 0.065 0.000 2.291 128 L HA 0.040 4.406 4.340 0.044 0.000 0.214 128 L C 1.369 178.280 176.870 0.069 0.000 1.120 128 L CA 1.026 55.904 54.840 0.062 0.000 0.799 128 L CB -0.053 42.043 42.059 0.062 0.000 0.925 128 L HN 0.534 nan 8.230 nan 0.000 0.446 129 G N -1.255 107.595 108.800 0.082 0.000 2.138 129 G HA2 -0.312 3.674 3.960 0.044 0.000 0.193 129 G HA3 -0.312 3.674 3.960 0.044 0.000 0.193 129 G C -0.253 174.726 174.900 0.131 0.000 0.998 129 G CA -0.412 44.734 45.100 0.077 0.000 0.668 129 G HN 0.263 nan 8.290 nan 0.000 0.516 130 Y N 1.408 121.703 120.300 -0.010 0.000 2.326 130 Y HA 0.490 5.067 4.550 0.045 0.000 0.329 130 Y C 1.242 177.139 175.900 -0.004 0.000 0.973 130 Y CA -0.061 58.031 58.100 -0.012 0.000 1.162 130 Y CB 1.744 40.194 38.460 -0.017 0.000 1.147 130 Y HN 0.336 nan 8.280 nan 0.000 0.456 131 S N 1.706 117.142 115.700 -0.440 0.000 2.562 131 S HA 0.058 4.555 4.470 0.044 0.000 0.221 131 S C 0.767 175.142 174.600 -0.376 0.000 0.975 131 S CA 0.274 58.289 58.200 -0.309 0.000 0.918 131 S CB 0.107 63.188 63.200 -0.199 0.000 0.772 131 S HN 0.446 nan 8.310 nan 0.000 0.531 132 S N 1.032 116.292 115.700 -0.734 0.000 2.718 132 S HA 0.640 5.137 4.470 0.044 0.000 0.292 132 S C 0.245 174.798 174.600 -0.077 0.000 1.125 132 S CA -1.067 56.906 58.200 -0.377 0.000 1.013 132 S CB 0.361 63.355 63.200 -0.343 0.000 1.192 132 S HN 0.534 nan 8.310 nan 0.000 0.535 133 I N 0.720 121.326 120.570 0.059 0.000 2.648 133 I HA 0.243 4.440 4.170 0.044 0.000 0.284 133 I C 0.878 177.133 176.117 0.230 0.000 1.153 133 I CA -0.226 61.150 61.300 0.128 0.000 1.426 133 I CB 0.538 38.594 38.000 0.094 0.000 1.381 133 I HN 0.654 nan 8.210 nan 0.000 0.571 134 K N 3.881 124.380 120.400 0.165 0.000 2.152 134 K HA -0.110 4.237 4.320 0.044 0.000 0.206 134 K C 1.829 178.468 176.600 0.064 0.000 1.048 134 K CA 1.714 58.066 56.287 0.108 0.000 0.933 134 K CB -0.280 32.235 32.500 0.026 0.000 0.721 134 K HN 0.853 nan 8.250 nan 0.000 0.447 135 V N -0.619 119.357 119.914 0.104 0.000 3.241 135 V HA -0.105 4.042 4.120 0.044 0.000 0.269 135 V C 1.768 177.949 176.094 0.145 0.000 1.151 135 V CA 1.726 64.114 62.300 0.146 0.000 1.158 135 V CB -0.446 31.484 31.823 0.178 0.000 0.764 135 V HN 0.242 nan 8.190 nan 0.000 0.508 136 S N -0.485 115.302 115.700 0.145 0.000 2.575 136 S HA 0.309 4.806 4.470 0.044 0.000 0.215 136 S C 0.634 175.275 174.600 0.068 0.000 0.966 136 S CA -0.289 57.989 58.200 0.129 0.000 0.911 136 S CB -0.670 62.638 63.200 0.181 0.000 0.780 136 S HN 0.570 nan 8.310 nan 0.000 0.514 137 L N 3.153 124.376 121.223 -0.001 0.000 2.456 137 L HA 0.308 4.674 4.340 0.044 0.000 0.272 137 L C -2.138 174.689 176.870 -0.073 0.000 1.189 137 L CA -1.934 52.798 54.840 -0.179 0.000 0.846 137 L CB 0.328 42.275 42.059 -0.186 0.000 1.111 137 L HN 0.112 nan 8.230 nan 0.000 0.475 138 P HA 0.050 nan 4.420 nan 0.000 0.279 138 P C 0.682 177.688 177.300 -0.491 0.000 1.239 138 P CA -0.350 62.571 63.100 -0.297 0.000 0.789 138 P CB 1.382 32.942 31.700 -0.232 0.000 0.933 139 V N 1.585 120.965 119.914 -0.891 0.000 2.427 139 V HA -0.165 3.982 4.120 0.044 0.000 0.248 139 V C 0.908 176.470 176.094 -0.887 0.000 1.051 139 V CA 2.007 63.535 62.300 -1.287 0.000 1.048 139 V CB -1.216 29.558 31.823 -1.749 0.000 0.666 139 V HN 0.724 nan 8.190 nan 0.000 0.456 140 E N -2.211 117.590 120.200 -0.666 0.000 2.407 140 E HA 0.365 4.742 4.350 0.044 0.000 0.279 140 E C -0.024 176.476 176.600 -0.166 0.000 1.012 140 E CA 0.013 56.160 56.400 -0.422 0.000 0.800 140 E CB 0.926 30.315 29.700 -0.518 0.000 1.276 140 E HN 0.032 nan 8.360 nan 0.000 0.452 141 T N -2.419 112.146 114.554 0.018 0.000 3.086 141 T HA 0.377 4.754 4.350 0.044 0.000 0.250 141 T C 1.379 176.144 174.700 0.109 0.000 1.074 141 T CA 0.309 62.428 62.100 0.032 0.000 0.988 141 T CB 0.078 68.963 68.868 0.030 0.000 0.988 141 T HN 0.524 nan 8.240 nan 0.000 0.530 142 A N 2.596 125.571 122.820 0.259 0.000 1.873 142 A HA -0.008 4.339 4.320 0.044 0.000 0.215 142 A C 2.608 180.366 177.584 0.289 0.000 1.186 142 A CA 2.039 54.314 52.037 0.397 0.000 0.616 142 A CB -1.127 18.145 19.000 0.453 0.000 0.823 142 A HN 0.668 nan 8.150 nan 0.000 0.442 143 T N -5.468 109.183 114.554 0.162 0.000 2.990 143 T HA 0.104 4.480 4.350 0.044 0.000 0.250 143 T C 0.694 175.401 174.700 0.011 0.000 1.041 143 T CA 0.668 62.823 62.100 0.092 0.000 1.010 143 T CB -0.137 68.769 68.868 0.064 0.000 1.003 143 T HN 0.417 nan 8.240 nan 0.000 0.499 144 N N 1.124 119.802 118.700 -0.036 0.000 2.753 144 N HA -0.125 4.642 4.740 0.044 0.000 0.251 144 N C -0.610 174.824 175.510 -0.127 0.000 1.097 144 N CA 1.270 54.266 53.050 -0.089 0.000 0.786 144 N CB -2.178 36.277 38.487 -0.053 0.000 1.137 144 N HN 0.550 nan 8.380 nan 0.000 0.566 145 T N 1.691 116.154 114.554 -0.152 0.000 2.822 145 T HA 0.122 4.498 4.350 0.044 0.000 0.288 145 T C 1.222 175.763 174.700 -0.266 0.000 0.991 145 T CA 0.658 62.656 62.100 -0.169 0.000 1.176 145 T CB 0.438 69.213 68.868 -0.156 0.000 0.951 145 T HN 0.338 nan 8.240 nan 0.000 0.526 146 T N 1.902 116.348 114.554 -0.179 0.000 2.860 146 T HA 0.157 4.533 4.350 0.044 0.000 0.299 146 T C 1.023 175.577 174.700 -0.244 0.000 1.045 146 T CA -0.599 61.398 62.100 -0.172 0.000 1.071 146 T CB 0.383 69.219 68.868 -0.053 0.000 0.985 146 T HN 0.495 nan 8.240 nan 0.000 0.537 147 Y N 0.684 120.835 120.300 -0.249 0.000 2.151 147 Y HA -0.083 4.492 4.550 0.042 0.000 0.284 147 Y C 2.325 178.065 175.900 -0.267 0.000 1.166 147 Y CA 1.533 59.409 58.100 -0.374 0.000 1.163 147 Y CB -0.545 37.752 38.460 -0.272 0.000 0.974 147 Y HN 0.570 nan 8.280 nan 0.000 0.511 148 L N 0.055 121.328 121.223 0.083 0.000 1.989 148 L HA -0.207 4.160 4.340 0.044 0.000 0.211 148 L C 2.403 179.291 176.870 0.030 0.000 1.071 148 L CA 2.178 57.087 54.840 0.116 0.000 0.749 148 L CB -1.157 40.950 42.059 0.080 0.000 0.890 148 L HN 0.143 nan 8.230 nan 0.000 0.431 149 A N -1.651 121.157 122.820 -0.020 0.000 1.902 149 A HA -0.280 4.067 4.320 0.044 0.000 0.217 149 A C 2.303 179.873 177.584 -0.023 0.000 1.181 149 A CA 1.740 53.755 52.037 -0.037 0.000 0.623 149 A CB -1.235 17.741 19.000 -0.041 0.000 0.818 149 A HN 0.654 nan 8.150 nan 0.000 0.443 150 Y N -0.514 119.662 120.300 -0.207 0.000 2.097 150 Y HA -0.312 4.266 4.550 0.047 0.000 0.282 150 Y C 2.204 178.056 175.900 -0.079 0.000 1.152 150 Y CA 2.228 60.187 58.100 -0.235 0.000 1.136 150 Y CB -0.527 37.636 38.460 -0.495 0.000 0.975 150 Y HN 0.390 nan 8.280 nan 0.000 0.498 151 Y N -0.312 120.053 120.300 0.108 0.000 2.200 151 Y HA -0.203 4.375 4.550 0.045 0.000 0.290 151 Y C 2.463 178.386 175.900 0.037 0.000 1.137 151 Y CA 1.385 59.545 58.100 0.101 0.000 1.163 151 Y CB -1.051 37.569 38.460 0.267 0.000 0.988 151 Y HN 0.138 nan 8.280 nan 0.000 0.518 152 L N -0.634 120.597 121.223 0.013 0.000 2.056 152 L HA -0.183 4.183 4.340 0.044 0.000 0.207 152 L C 2.567 179.351 176.870 -0.143 0.000 1.078 152 L CA 1.243 55.930 54.840 -0.255 0.000 0.749 152 L CB -0.409 41.435 42.059 -0.358 0.000 0.901 152 L HN 0.114 nan 8.230 nan 0.000 0.433 153 R N -1.093 119.359 120.500 -0.080 0.000 2.092 153 R HA -0.212 4.155 4.340 0.044 0.000 0.231 153 R C 2.081 178.353 176.300 -0.047 0.000 1.119 153 R CA 1.784 57.845 56.100 -0.066 0.000 0.970 153 R CB -0.507 29.766 30.300 -0.045 0.000 0.864 153 R HN 0.424 nan 8.270 nan 0.000 0.440 154 W N 1.586 122.747 121.300 -0.231 0.000 2.355 154 W HA -0.168 4.520 4.660 0.046 0.000 0.309 154 W C 2.223 178.608 176.519 -0.224 0.000 1.206 154 W CA 1.819 59.022 57.345 -0.237 0.000 1.284 154 W CB -0.323 28.939 29.460 -0.330 0.000 1.145 154 W HN 0.075 nan 8.180 nan 0.000 0.502 155 A N 0.173 122.826 122.820 -0.279 0.000 1.908 155 A HA -0.278 4.068 4.320 0.044 0.000 0.218 155 A C 1.917 179.287 177.584 -0.356 0.000 1.181 155 A CA 2.022 53.688 52.037 -0.618 0.000 0.627 155 A CB -0.943 17.829 19.000 -0.381 0.000 0.818 155 A HN 0.557 nan 8.150 nan 0.000 0.445 156 Q N -1.413 118.262 119.800 -0.208 0.000 2.167 156 Q HA -0.168 4.199 4.340 0.044 0.000 0.202 156 Q C 2.309 178.222 176.000 -0.146 0.000 0.970 156 Q CA 1.344 57.069 55.803 -0.130 0.000 0.855 156 Q CB -0.107 28.572 28.738 -0.098 0.000 0.911 156 Q HN 0.555 nan 8.270 nan 0.000 0.438 157 R N 0.879 121.259 120.500 -0.200 0.000 2.066 157 R HA -0.118 4.248 4.340 0.044 0.000 0.232 157 R C 2.033 178.197 176.300 -0.227 0.000 1.131 157 R CA 1.875 57.865 56.100 -0.183 0.000 0.955 157 R CB -0.727 29.473 30.300 -0.167 0.000 0.851 157 R HN 0.257 nan 8.270 nan 0.000 0.432 158 V N -2.532 117.142 119.914 -0.400 0.000 3.129 158 V HA 0.318 4.465 4.120 0.044 0.000 0.259 158 V C 1.527 177.516 176.094 -0.176 0.000 1.116 158 V CA 1.545 63.632 62.300 -0.354 0.000 1.127 158 V CB 0.079 31.521 31.823 -0.634 0.000 0.742 158 V HN 0.322 nan 8.190 nan 0.000 0.474 159 G N -0.946 107.779 108.800 -0.124 0.000 3.228 159 G HA2 0.535 4.522 3.960 0.044 0.000 0.245 159 G HA3 0.535 4.522 3.960 0.044 0.000 0.245 159 G C 0.800 175.719 174.900 0.031 0.000 1.051 159 G CA 0.413 45.530 45.100 0.029 0.000 0.809 159 G HN 1.475 nan 8.290 nan 0.000 0.531 160 G N 0.333 109.119 108.800 -0.024 0.000 2.781 160 G HA2 -0.226 3.761 3.960 0.044 0.000 0.683 160 G HA3 -0.226 3.761 3.960 0.044 0.000 0.683 160 G C 0.571 175.470 174.900 -0.001 0.000 1.390 160 G CA 0.180 45.274 45.100 -0.009 0.000 0.850 160 G HN 0.360 nan 8.290 nan 0.000 0.557 161 K N -0.030 120.368 120.400 -0.004 0.000 2.152 161 K HA -0.120 4.227 4.320 0.044 0.000 0.206 161 K C 1.590 178.199 176.600 0.015 0.000 1.048 161 K CA 1.951 58.234 56.287 -0.007 0.000 0.933 161 K CB -0.086 32.409 32.500 -0.008 0.000 0.721 161 K HN 0.508 nan 8.250 nan 0.000 0.447 162 E N 1.124 121.350 120.200 0.042 0.000 2.445 162 E HA -0.018 4.359 4.350 0.044 0.000 0.189 162 E C -0.046 176.612 176.600 0.097 0.000 1.069 162 E CA -0.046 56.394 56.400 0.068 0.000 0.871 162 E CB 0.185 29.936 29.700 0.085 0.000 0.991 162 E HN 0.093 nan 8.360 nan 0.000 0.481 163 V N 3.510 123.482 119.914 0.097 0.000 2.644 163 V HA -0.028 4.118 4.120 0.044 0.000 0.305 163 V C -2.345 173.806 176.094 0.095 0.000 1.053 163 V CA -1.022 61.355 62.300 0.129 0.000 1.186 163 V CB 0.513 32.437 31.823 0.168 0.000 0.895 163 V HN -0.003 nan 8.190 nan 0.000 0.490 164 P HA 0.288 nan 4.420 nan 0.000 0.276 164 P C -1.221 176.084 177.300 0.008 0.000 1.253 164 P CA 0.262 63.287 63.100 -0.126 0.000 0.766 164 P CB 0.213 31.473 31.700 -0.734 0.000 0.845 165 F N 3.739 123.707 119.950 0.030 0.000 2.574 165 F HA 0.469 5.023 4.527 0.044 0.000 0.313 165 F C -1.263 174.609 175.800 0.120 0.000 1.130 165 F CA -0.821 57.210 58.000 0.052 0.000 0.936 165 F CB 1.681 40.711 39.000 0.051 0.000 1.219 165 F HN -0.025 nan 8.300 nan 0.000 0.445 166 V N 6.596 126.563 119.914 0.088 0.000 2.604 166 V HA 0.517 4.664 4.120 0.044 0.000 0.305 166 V C -0.355 175.864 176.094 0.208 0.000 1.043 166 V CA -0.716 61.707 62.300 0.205 0.000 0.888 166 V CB 1.971 33.862 31.823 0.113 0.000 0.995 166 V HN 0.548 nan 8.190 nan 0.000 0.429 167 I N 4.906 125.642 120.570 0.277 0.000 2.389 167 I HA 0.449 4.646 4.170 0.044 0.000 0.288 167 I C -0.142 176.073 176.117 0.163 0.000 0.999 167 I CA -0.321 61.117 61.300 0.230 0.000 1.129 167 I CB 1.712 39.861 38.000 0.250 0.000 1.288 167 I HN 0.547 nan 8.210 nan 0.000 0.444 168 M N 7.214 126.878 119.600 0.107 0.000 2.120 168 M HA 0.326 4.833 4.480 0.044 0.000 0.354 168 M C -0.056 176.295 176.300 0.086 0.000 1.287 168 M CA 0.025 55.376 55.300 0.086 0.000 1.103 168 M CB 0.773 33.396 32.600 0.038 0.000 1.623 168 M HN 0.784 nan 8.290 nan 0.000 0.471 169 T N 1.390 116.020 114.554 0.126 0.000 2.905 169 T HA 0.857 5.234 4.350 0.044 0.000 0.283 169 T C -0.173 174.596 174.700 0.114 0.000 1.031 169 T CA -0.605 61.584 62.100 0.147 0.000 1.002 169 T CB 1.605 70.641 68.868 0.279 0.000 1.200 169 T HN 0.732 nan 8.240 nan 0.000 0.560 170 S N -1.101 114.672 115.700 0.121 0.000 2.732 170 S HA 0.446 4.943 4.470 0.044 0.000 0.293 170 S C 0.118 174.773 174.600 0.092 0.000 1.159 170 S CA -0.782 57.472 58.200 0.090 0.000 0.847 170 S CB 1.223 64.482 63.200 0.098 0.000 1.169 170 S HN 0.598 nan 8.310 nan 0.000 0.501 171 D N 0.905 121.341 120.400 0.059 0.000 2.182 171 D HA -0.102 4.565 4.640 0.044 0.000 0.201 171 D C 0.945 177.289 176.300 0.074 0.000 0.986 171 D CA 1.444 55.479 54.000 0.058 0.000 0.847 171 D CB -0.343 40.478 40.800 0.034 0.000 0.942 171 D HN 0.542 nan 8.370 nan 0.000 0.467 172 D N -0.640 119.801 120.400 0.069 0.000 2.144 172 D HA -0.087 4.580 4.640 0.044 0.000 0.200 172 D C 2.138 178.478 176.300 0.068 0.000 0.978 172 D CA 1.643 55.679 54.000 0.060 0.000 0.833 172 D CB -0.084 40.750 40.800 0.057 0.000 0.961 172 D HN 0.356 nan 8.370 nan 0.000 0.470 173 T N -3.458 111.151 114.554 0.093 0.000 2.985 173 T HA 0.047 4.423 4.350 0.044 0.000 0.254 173 T C 1.627 176.388 174.700 0.102 0.000 1.021 173 T CA 0.080 62.233 62.100 0.088 0.000 0.957 173 T CB 0.043 68.965 68.868 0.091 0.000 1.047 173 T HN 0.031 nan 8.240 nan 0.000 0.511 174 H N 2.371 121.464 119.070 0.038 0.000 2.253 174 H HA -0.052 4.530 4.556 0.045 0.000 0.296 174 H C 1.720 177.067 175.328 0.032 0.000 1.074 174 H CA 2.408 58.479 56.048 0.038 0.000 1.263 174 H CB -0.417 29.367 29.762 0.037 0.000 1.363 174 H HN 0.224 nan 8.280 nan 0.000 0.489 175 D N 0.011 120.419 120.400 0.012 0.000 2.104 175 D HA -0.136 4.531 4.640 0.044 0.000 0.194 175 D C 2.418 178.678 176.300 -0.066 0.000 0.994 175 D CA 1.265 55.234 54.000 -0.052 0.000 0.830 175 D CB -0.258 40.558 40.800 0.028 0.000 0.959 175 D HN 0.372 nan 8.370 nan 0.000 0.452 176 R N 0.066 120.551 120.500 -0.024 0.000 2.120 176 R HA -0.041 4.326 4.340 0.044 0.000 0.234 176 R C 2.382 178.666 176.300 -0.027 0.000 1.123 176 R CA 1.329 57.419 56.100 -0.018 0.000 0.975 176 R CB -0.394 29.907 30.300 0.001 0.000 0.866 176 R HN 0.125 nan 8.270 nan 0.000 0.446 177 T N 1.209 115.738 114.554 -0.043 0.000 2.737 177 T HA -0.054 4.322 4.350 0.044 0.000 0.265 177 T C 1.787 176.439 174.700 -0.079 0.000 1.038 177 T CA 1.016 63.092 62.100 -0.041 0.000 1.144 177 T CB -0.121 68.731 68.868 -0.027 0.000 0.866 177 T HN 0.114 nan 8.240 nan 0.000 0.434 178 L N 0.937 122.068 121.223 -0.154 0.000 2.046 178 L HA -0.153 4.214 4.340 0.044 0.000 0.208 178 L C 2.933 179.757 176.870 -0.077 0.000 1.077 178 L CA 1.427 56.185 54.840 -0.137 0.000 0.747 178 L CB -0.695 41.246 42.059 -0.197 0.000 0.896 178 L HN 0.346 nan 8.230 nan 0.000 0.432 179 Q N 0.434 120.196 119.800 -0.063 0.000 2.045 179 Q HA -0.284 4.083 4.340 0.044 0.000 0.206 179 Q C 2.331 178.314 176.000 -0.028 0.000 0.991 179 Q CA 1.978 57.758 55.803 -0.037 0.000 0.851 179 Q CB -0.180 28.542 28.738 -0.027 0.000 0.911 179 Q HN 0.356 nan 8.270 nan 0.000 0.418 180 L N 0.633 121.842 121.223 -0.023 0.000 2.046 180 L HA -0.165 4.201 4.340 0.044 0.000 0.208 180 L C 2.182 179.039 176.870 -0.022 0.000 1.077 180 L CA 1.551 56.384 54.840 -0.012 0.000 0.747 180 L CB -0.563 41.499 42.059 0.005 0.000 0.896 180 L HN 0.344 nan 8.230 nan 0.000 0.432 181 L N -0.827 120.377 121.223 -0.032 0.000 2.013 181 L HA -0.266 4.101 4.340 0.044 0.000 0.212 181 L C 2.835 179.682 176.870 -0.038 0.000 1.073 181 L CA 1.704 56.519 54.840 -0.042 0.000 0.753 181 L CB -0.683 41.345 42.059 -0.052 0.000 0.890 181 L HN 0.313 nan 8.230 nan 0.000 0.432 182 R N 0.519 120.998 120.500 -0.035 0.000 2.070 182 R HA -0.193 4.174 4.340 0.044 0.000 0.233 182 R C 2.153 178.440 176.300 -0.023 0.000 1.137 182 R CA 1.968 58.051 56.100 -0.029 0.000 0.945 182 R CB -0.233 30.051 30.300 -0.026 0.000 0.845 182 R HN 0.435 nan 8.270 nan 0.000 0.430 183 E N 0.327 120.515 120.200 -0.020 0.000 2.118 183 E HA -0.181 4.196 4.350 0.044 0.000 0.195 183 E C 1.865 178.456 176.600 -0.016 0.000 0.992 183 E CA 1.251 57.642 56.400 -0.015 0.000 0.804 183 E CB -0.072 29.622 29.700 -0.011 0.000 0.741 183 E HN 0.369 nan 8.360 nan 0.000 0.458 184 L N 0.326 121.537 121.223 -0.020 0.000 2.599 184 L HA 0.008 4.375 4.340 0.044 0.000 0.230 184 L C 0.252 177.107 176.870 -0.026 0.000 1.141 184 L CA 0.148 54.975 54.840 -0.022 0.000 0.877 184 L CB -0.176 41.867 42.059 -0.026 0.000 1.009 184 L HN 0.116 nan 8.230 nan 0.000 0.447 185 Q N -0.159 119.626 119.800 -0.026 0.000 2.481 185 Q HA -0.205 4.162 4.340 0.044 0.000 0.272 185 Q C -0.238 175.742 176.000 -0.035 0.000 1.157 185 Q CA 0.396 56.183 55.803 -0.026 0.000 0.935 185 Q CB -1.924 26.802 28.738 -0.020 0.000 1.338 185 Q HN 0.467 nan 8.270 nan 0.000 0.494 186 L N 1.013 122.210 121.223 -0.044 0.000 2.410 186 L HA 0.167 4.534 4.340 0.044 0.000 0.273 186 L C 0.553 177.387 176.870 -0.060 0.000 1.144 186 L CA 0.289 55.093 54.840 -0.060 0.000 0.863 186 L CB 0.545 42.556 42.059 -0.079 0.000 1.140 186 L HN 0.045 nan 8.230 nan 0.000 0.463 187 E N 2.860 123.024 120.200 -0.059 0.000 2.183 187 E HA 0.344 4.720 4.350 0.044 0.000 0.250 187 E C -1.280 175.285 176.600 -0.059 0.000 0.901 187 E CA -0.196 56.173 56.400 -0.051 0.000 0.741 187 E CB 1.276 30.954 29.700 -0.037 0.000 1.182 187 E HN 0.209 nan 8.360 nan 0.000 0.425 188 V N 6.653 126.527 119.914 -0.068 0.000 2.327 188 V HA 0.233 4.380 4.120 0.044 0.000 0.272 188 V C -1.783 174.279 176.094 -0.054 0.000 1.019 188 V CA -1.377 60.880 62.300 -0.071 0.000 0.814 188 V CB 1.217 32.970 31.823 -0.118 0.000 1.040 188 V HN 0.567 nan 8.190 nan 0.000 0.440 189 P HA -0.099 nan 4.420 nan 0.000 0.216 189 P C 0.808 178.082 177.300 -0.042 0.000 1.153 189 P CA 1.300 64.384 63.100 -0.027 0.000 0.858 189 P CB 0.201 31.900 31.700 -0.001 0.000 0.789 190 N N -0.656 118.036 118.700 -0.013 0.000 2.380 190 N HA 0.123 4.890 4.740 0.044 0.000 0.255 190 N C -0.196 175.304 175.510 -0.017 0.000 1.158 190 N CA -0.291 52.761 53.050 0.004 0.000 0.878 190 N CB -0.056 38.502 38.487 0.117 0.000 1.138 190 N HN 0.110 nan 8.380 nan 0.000 0.509 191 L N 1.513 122.673 121.223 -0.105 0.000 2.326 191 L HA 0.251 4.617 4.340 0.044 0.000 0.278 191 L C -0.401 176.319 176.870 -0.250 0.000 1.092 191 L CA -0.086 54.737 54.840 -0.029 0.000 0.810 191 L CB 0.426 42.468 42.059 -0.028 0.000 1.153 191 L HN 0.173 nan 8.230 nan 0.000 0.439 192 H N 4.804 123.985 119.070 0.186 0.000 2.727 192 H HA 0.396 4.979 4.556 0.044 0.000 0.330 192 H C -1.129 174.296 175.328 0.162 0.000 0.986 192 H CA -0.675 55.465 56.048 0.153 0.000 1.251 192 H CB 1.787 31.642 29.762 0.155 0.000 1.493 192 H HN 0.396 nan 8.280 nan 0.000 0.515 193 V N 6.052 126.102 119.914 0.227 0.000 2.333 193 V HA 0.220 4.366 4.120 0.044 0.000 0.274 193 V C 0.301 176.536 176.094 0.235 0.000 1.028 193 V CA -0.480 61.955 62.300 0.225 0.000 0.851 193 V CB 0.898 32.836 31.823 0.191 0.000 1.000 193 V HN 0.476 nan 8.190 nan 0.000 0.456 194 L N 5.192 126.530 121.223 0.192 0.000 2.305 194 L HA 0.578 4.944 4.340 0.044 0.000 0.284 194 L C 0.046 176.966 176.870 0.082 0.000 1.013 194 L CA -0.492 54.420 54.840 0.120 0.000 0.819 194 L CB 1.572 43.695 42.059 0.105 0.000 1.227 194 L HN 0.525 nan 8.230 nan 0.000 0.417 195 K N 4.467 124.856 120.400 -0.019 0.000 2.234 195 K HA 0.278 4.625 4.320 0.044 0.000 0.277 195 K C -0.224 176.354 176.600 -0.037 0.000 1.038 195 K CA -0.607 55.633 56.287 -0.079 0.000 0.888 195 K CB 1.082 33.353 32.500 -0.382 0.000 1.091 195 K HN 0.637 nan 8.250 nan 0.000 0.467 196 Q N 2.168 121.977 119.800 0.015 0.000 2.392 196 Q HA 0.245 4.611 4.340 0.044 0.000 0.262 196 Q C 0.013 176.017 176.000 0.006 0.000 1.003 196 Q CA -0.651 55.172 55.803 0.033 0.000 0.888 196 Q CB 0.803 29.593 28.738 0.086 0.000 1.260 196 Q HN 0.626 nan 8.270 nan 0.000 0.435 197 G N 1.815 110.613 108.800 -0.004 0.000 2.356 197 G HA2 0.278 4.265 3.960 0.044 0.000 0.322 197 G HA3 0.278 4.265 3.960 0.044 0.000 0.322 197 G C -0.704 174.187 174.900 -0.014 0.000 1.125 197 G CA -0.660 44.422 45.100 -0.030 0.000 0.885 197 G HN 0.640 nan 8.290 nan 0.000 0.467 198 Q N -0.531 119.256 119.800 -0.023 0.000 2.354 198 Q HA 0.428 4.795 4.340 0.044 0.000 0.244 198 Q C 0.387 176.330 176.000 -0.096 0.000 0.969 198 Q CA -0.492 55.295 55.803 -0.028 0.000 0.885 198 Q CB 1.968 30.689 28.738 -0.028 0.000 1.241 198 Q HN 0.535 nan 8.270 nan 0.000 0.461 199 V N -1.733 118.108 119.914 -0.122 0.000 2.994 199 V HA 0.527 4.674 4.120 0.044 0.000 0.318 199 V C -0.323 175.475 176.094 -0.493 0.000 1.085 199 V CA -1.074 61.036 62.300 -0.317 0.000 0.998 199 V CB 0.713 32.426 31.823 -0.183 0.000 1.063 199 V HN 0.510 nan 8.190 nan 0.000 0.447 200 F N 0.326 119.766 119.950 -0.849 0.000 2.480 200 F HA 0.533 5.087 4.527 0.044 0.000 0.319 200 F C 0.831 176.310 175.800 -0.536 0.000 1.230 200 F CA -0.553 56.999 58.000 -0.747 0.000 1.285 200 F CB 0.057 38.457 39.000 -0.999 0.000 1.208 200 F HN 0.642 nan 8.300 nan 0.000 0.579 201 C N 1.071 120.260 119.300 -0.185 0.000 2.707 201 C HA 0.634 5.120 4.460 0.044 0.000 0.313 201 C C -0.801 174.053 174.990 -0.226 0.000 1.209 201 C CA -0.980 57.894 59.018 -0.239 0.000 1.635 201 C CB 1.230 28.928 27.740 -0.070 0.000 2.206 201 C HN 0.398 nan 8.230 nan 0.000 0.485 202 F N 0.905 120.951 119.950 0.161 0.000 2.427 202 F HA 0.511 5.065 4.527 0.045 0.000 0.346 202 F C 1.015 176.954 175.800 0.232 0.000 1.120 202 F CA -0.905 57.199 58.000 0.173 0.000 1.033 202 F CB 1.004 40.120 39.000 0.194 0.000 1.126 202 F HN 0.767 nan 8.300 nan 0.000 0.462 203 A N 1.564 124.557 122.820 0.289 0.000 2.067 203 A HA 0.081 4.428 4.320 0.044 0.000 0.217 203 A C 0.288 177.809 177.584 -0.105 0.000 1.156 203 A CA 1.370 53.488 52.037 0.134 0.000 0.683 203 A CB -0.622 18.391 19.000 0.022 0.000 0.808 203 A HN 0.757 nan 8.150 nan 0.000 0.455 204 D N -3.745 116.505 120.400 -0.251 0.000 2.677 204 D HA 0.255 4.922 4.640 0.044 0.000 0.298 204 D C 0.450 176.370 176.300 -0.634 0.000 1.250 204 D CA 0.208 53.743 54.000 -0.776 0.000 0.888 204 D CB 0.137 40.737 40.800 -0.334 0.000 1.397 204 D HN -0.053 nan 8.370 nan 0.000 0.461 205 S N -1.465 113.902 115.700 -0.555 0.000 2.547 205 S HA 0.149 4.646 4.470 0.044 0.000 0.235 205 S C 1.430 175.983 174.600 -0.078 0.000 0.980 205 S CA 0.449 58.583 58.200 -0.111 0.000 0.941 205 S CB -0.422 62.782 63.200 0.006 0.000 0.763 205 S HN 0.719 nan 8.310 nan 0.000 0.532 206 A N 0.367 123.098 122.820 -0.148 0.000 2.423 206 A HA 0.788 5.135 4.320 0.044 0.000 0.246 206 A C 1.263 178.625 177.584 -0.370 0.000 1.278 206 A CA 0.194 52.127 52.037 -0.174 0.000 0.903 206 A CB -0.715 18.179 19.000 -0.177 0.000 0.997 206 A HN 1.451 nan 8.150 nan 0.000 0.510 207 A N 0.031 122.584 122.820 -0.444 0.000 2.872 207 A HA -0.176 4.171 4.320 0.044 0.000 0.273 207 A C 0.106 177.516 177.584 -0.290 0.000 1.442 207 A CA 0.783 52.363 52.037 -0.762 0.000 0.801 207 A CB -2.845 15.333 19.000 -1.371 0.000 1.031 207 A HN 0.674 nan 8.150 nan 0.000 0.582 208 H N -0.577 118.493 119.070 -0.000 0.000 2.803 208 H HA 0.386 4.969 4.556 0.044 0.000 0.330 208 H C 0.826 176.287 175.328 0.220 0.000 1.057 208 H CA 0.313 56.421 56.048 0.100 0.000 1.458 208 H CB 0.540 30.202 29.762 -0.166 0.000 1.470 208 H HN 0.513 nan 8.280 nan 0.000 0.560 209 L N 2.165 123.628 121.223 0.401 0.000 2.426 209 L HA 0.203 4.570 4.340 0.044 0.000 0.271 209 L C 0.951 177.927 176.870 0.176 0.000 1.169 209 L CA -0.404 54.565 54.840 0.214 0.000 0.836 209 L CB 0.514 42.543 42.059 -0.050 0.000 1.112 209 L HN 0.605 nan 8.230 nan 0.000 0.465 210 A N 4.804 127.667 122.820 0.071 0.000 2.304 210 A HA 0.747 5.094 4.320 0.044 0.000 0.301 210 A C -0.515 177.066 177.584 -0.005 0.000 1.132 210 A CA -0.510 51.556 52.037 0.047 0.000 0.819 210 A CB 0.607 19.639 19.000 0.053 0.000 1.094 210 A HN 0.634 nan 8.150 nan 0.000 0.492 211 L N 1.301 122.527 121.223 0.005 0.000 2.330 211 L HA 0.419 4.786 4.340 0.044 0.000 0.271 211 L C -0.069 176.802 176.870 0.003 0.000 1.013 211 L CA -1.080 53.754 54.840 -0.010 0.000 0.816 211 L CB 1.840 43.895 42.059 -0.006 0.000 1.287 211 L HN 0.942 nan 8.230 nan 0.000 0.435 212 D N -0.599 119.804 120.400 0.004 0.000 2.478 212 D HA 0.017 4.683 4.640 0.044 0.000 0.274 212 D C 0.757 177.064 176.300 0.011 0.000 1.234 212 D CA -0.451 53.555 54.000 0.010 0.000 1.069 212 D CB 0.330 41.138 40.800 0.013 0.000 1.113 212 D HN 0.663 nan 8.370 nan 0.000 0.571 213 E N -1.755 118.452 120.200 0.012 0.000 2.401 213 E HA -0.142 4.235 4.350 0.044 0.000 0.199 213 E C 0.961 177.568 176.600 0.012 0.000 1.023 213 E CA 1.311 57.718 56.400 0.011 0.000 0.859 213 E CB -0.651 29.055 29.700 0.011 0.000 0.780 213 E HN 0.574 nan 8.360 nan 0.000 0.523 214 T N -3.705 110.857 114.554 0.013 0.000 3.085 214 T HA 0.438 4.814 4.350 0.044 0.000 0.264 214 T C 1.329 176.039 174.700 0.016 0.000 1.019 214 T CA 0.042 62.150 62.100 0.013 0.000 0.910 214 T CB 0.818 69.694 68.868 0.013 0.000 1.059 214 T HN 0.342 nan 8.240 nan 0.000 0.542 215 G N 1.380 110.191 108.800 0.018 0.000 2.132 215 G HA2 -0.216 3.771 3.960 0.044 0.000 0.234 215 G HA3 -0.216 3.771 3.960 0.044 0.000 0.234 215 G C -0.175 174.739 174.900 0.023 0.000 0.989 215 G CA 0.040 45.155 45.100 0.025 0.000 0.676 215 G HN 0.680 nan 8.290 nan 0.000 0.522 216 K N -0.415 119.993 120.400 0.014 0.000 2.118 216 K HA 0.680 5.027 4.320 0.044 0.000 0.254 216 K C 0.700 177.292 176.600 -0.013 0.000 0.961 216 K CA -1.006 55.288 56.287 0.011 0.000 0.876 216 K CB 1.499 34.014 32.500 0.025 0.000 1.077 216 K HN 0.118 nan 8.250 nan 0.000 0.440 217 L N 2.925 124.123 121.223 -0.041 0.000 2.513 217 L HA -0.016 4.350 4.340 0.044 0.000 0.272 217 L C 0.088 176.963 176.870 0.008 0.000 1.187 217 L CA -0.263 54.518 54.840 -0.098 0.000 0.895 217 L CB -0.103 41.787 42.059 -0.282 0.000 1.147 217 L HN 0.374 nan 8.230 nan 0.000 0.483 218 L N 5.561 126.781 121.223 -0.005 0.000 2.439 218 L HA 0.254 4.621 4.340 0.044 0.000 0.269 218 L C -0.004 176.894 176.870 0.047 0.000 1.179 218 L CA 0.580 55.432 54.840 0.020 0.000 0.828 218 L CB 0.224 42.286 42.059 0.005 0.000 1.106 218 L HN 0.492 nan 8.230 nan 0.000 0.467 219 R N 4.430 124.941 120.500 0.018 0.000 2.628 219 R HA 0.560 4.927 4.340 0.044 0.000 0.288 219 R C -1.045 175.240 176.300 -0.024 0.000 0.980 219 R CA -0.886 55.202 56.100 -0.020 0.000 0.891 219 R CB 2.092 32.377 30.300 -0.025 0.000 1.188 219 R HN 0.636 nan 8.270 nan 0.000 0.450 220 K N 1.781 122.158 120.400 -0.039 0.000 2.480 220 K HA 0.488 4.834 4.320 0.044 0.000 0.258 220 K C -2.711 173.891 176.600 0.002 0.000 0.990 220 K CA -2.130 54.148 56.287 -0.017 0.000 0.857 220 K CB 2.475 34.962 32.500 -0.023 0.000 1.384 220 K HN 0.193 nan 8.250 nan 0.000 0.446 221 P HA -0.026 nan 4.420 nan 0.000 0.268 221 P C -0.317 177.026 177.300 0.072 0.000 1.205 221 P CA 0.228 63.359 63.100 0.051 0.000 0.771 221 P CB 0.344 32.067 31.700 0.039 0.000 0.858 222 H N 2.401 121.476 119.070 0.007 0.000 2.539 222 H HA 0.150 4.733 4.556 0.045 0.000 0.269 222 H C 0.704 176.030 175.328 -0.003 0.000 0.980 222 H CA 0.706 56.763 56.048 0.015 0.000 1.152 222 H CB 0.028 29.833 29.762 0.072 0.000 1.407 222 H HN 0.659 nan 8.280 nan 0.000 0.564 223 G N 0.003 108.774 108.800 -0.049 0.000 2.663 223 G HA2 -0.213 3.774 3.960 0.044 0.000 0.686 223 G HA3 -0.213 3.774 3.960 0.044 0.000 0.686 223 G C -0.166 174.768 174.900 0.056 0.000 1.288 223 G CA -0.145 44.888 45.100 -0.112 0.000 0.836 223 G HN 0.618 nan 8.290 nan 0.000 0.584 224 H N 0.639 119.722 119.070 0.021 0.000 2.559 224 H HA 0.129 4.712 4.556 0.044 0.000 0.273 224 H C 2.632 177.956 175.328 -0.006 0.000 1.000 224 H CA 0.586 56.649 56.048 0.024 0.000 1.195 224 H CB 0.260 30.042 29.762 0.035 0.000 1.368 224 H HN 0.738 nan 8.280 nan 0.000 0.592 225 G N 0.904 109.774 108.800 0.117 0.000 2.479 225 G HA2 -0.273 3.714 3.960 0.044 0.000 0.220 225 G HA3 -0.273 3.714 3.960 0.044 0.000 0.220 225 G C 1.155 176.124 174.900 0.115 0.000 1.115 225 G CA 0.850 46.019 45.100 0.116 0.000 0.757 225 G HN 0.366 nan 8.290 nan 0.000 0.560 226 D N -0.020 120.468 120.400 0.148 0.000 2.228 226 D HA -0.122 4.545 4.640 0.044 0.000 0.203 226 D C 2.511 178.863 176.300 0.086 0.000 0.988 226 D CA 0.632 54.731 54.000 0.165 0.000 0.864 226 D CB -0.344 40.567 40.800 0.186 0.000 0.928 226 D HN 0.185 nan 8.370 nan 0.000 0.469 227 V N 1.215 121.127 119.914 -0.003 0.000 2.380 227 V HA -0.273 3.874 4.120 0.044 0.000 0.251 227 V C 2.075 178.188 176.094 0.033 0.000 1.063 227 V CA 1.852 64.139 62.300 -0.022 0.000 1.055 227 V CB -0.305 31.476 31.823 -0.070 0.000 0.657 227 V HN 0.329 nan 8.190 nan 0.000 0.455 228 H N 0.112 119.298 119.070 0.194 0.000 2.395 228 H HA -0.034 4.548 4.556 0.045 0.000 0.299 228 H C 2.606 178.026 175.328 0.154 0.000 1.070 228 H CA 1.731 57.893 56.048 0.190 0.000 1.356 228 H CB -0.575 29.230 29.762 0.073 0.000 1.401 228 H HN 0.694 nan 8.280 nan 0.000 0.524 229 S N 0.771 116.600 115.700 0.214 0.000 2.414 229 S HA -0.024 4.473 4.470 0.044 0.000 0.227 229 S C 2.308 177.001 174.600 0.155 0.000 1.022 229 S CA 0.261 58.561 58.200 0.168 0.000 0.958 229 S CB -0.666 62.592 63.200 0.095 0.000 0.797 229 S HN 0.194 nan 8.310 nan 0.000 0.493 230 L N 0.847 122.144 121.223 0.122 0.000 2.012 230 L HA -0.071 4.296 4.340 0.044 0.000 0.210 230 L C 2.623 179.543 176.870 0.083 0.000 1.073 230 L CA 1.518 56.408 54.840 0.084 0.000 0.748 230 L CB -0.605 41.503 42.059 0.082 0.000 0.891 230 L HN 0.309 nan 8.230 nan 0.000 0.431 231 I N -1.466 119.195 120.570 0.150 0.000 2.179 231 I HA -0.354 3.843 4.170 0.044 0.000 0.242 231 I C 2.546 178.702 176.117 0.064 0.000 1.088 231 I CA 1.416 62.800 61.300 0.139 0.000 1.357 231 I CB -0.378 37.817 38.000 0.326 0.000 1.051 231 I HN 0.197 nan 8.210 nan 0.000 0.409 232 Y N 2.006 122.317 120.300 0.019 0.000 2.207 232 Y HA -0.286 4.290 4.550 0.044 0.000 0.287 232 Y C 1.855 177.697 175.900 -0.096 0.000 1.156 232 Y CA 2.045 60.118 58.100 -0.044 0.000 1.182 232 Y CB -0.502 37.939 38.460 -0.031 0.000 0.979 232 Y HN 0.226 nan 8.280 nan 0.000 0.521 233 N N 0.040 118.661 118.700 -0.131 0.000 2.336 233 N HA 0.224 4.991 4.740 0.044 0.000 0.189 233 N C -0.070 175.312 175.510 -0.212 0.000 1.113 233 N CA 0.256 53.171 53.050 -0.224 0.000 0.858 233 N CB 0.144 38.586 38.487 -0.075 0.000 0.970 233 N HN 0.275 nan 8.380 nan 0.000 0.471 234 A N 0.813 123.511 122.820 -0.203 0.000 2.388 234 A HA 0.465 4.812 4.320 0.044 0.000 0.257 234 A C 0.595 178.010 177.584 -0.282 0.000 1.095 234 A CA -0.147 51.763 52.037 -0.212 0.000 0.791 234 A CB 0.182 19.052 19.000 -0.217 0.000 1.029 234 A HN 0.223 nan 8.150 nan 0.000 0.489 235 T N -1.195 113.222 114.554 -0.227 0.000 2.907 235 T HA 0.707 5.084 4.350 0.044 0.000 0.290 235 T C 0.123 174.719 174.700 -0.174 0.000 1.066 235 T CA -0.078 61.892 62.100 -0.217 0.000 1.012 235 T CB 0.759 69.534 68.868 -0.155 0.000 1.184 235 T HN 1.550 nan 8.240 nan 0.000 0.522 252 Q N 1.292 121.035 119.800 -0.095 0.000 2.243 252 Q HA 0.473 4.839 4.340 0.044 0.000 0.252 252 Q C -2.697 173.196 176.000 -0.179 0.000 0.909 252 Q CA -2.202 53.530 55.803 -0.119 0.000 0.922 252 Q CB 1.427 30.107 28.738 -0.097 0.000 1.215 252 Q HN 0.158 nan 8.270 nan 0.000 0.427 253 P HA -0.104 nan 4.420 nan 0.000 0.266 253 P C 0.290 177.367 177.300 -0.372 0.000 1.195 253 P CA -0.120 62.803 63.100 -0.296 0.000 0.768 253 P CB 0.574 32.100 31.700 -0.289 0.000 0.838 254 L N 5.610 126.528 121.223 -0.507 0.000 2.013 254 L HA -0.188 4.179 4.340 0.044 0.000 0.212 254 L C 2.005 178.214 176.870 -1.102 0.000 1.073 254 L CA 2.062 56.410 54.840 -0.821 0.000 0.753 254 L CB -1.347 40.131 42.059 -0.968 0.000 0.890 254 L HN 0.303 nan 8.230 nan 0.000 0.432 255 V N -2.775 116.655 119.914 -0.806 0.000 2.427 255 V HA -0.241 3.906 4.120 0.044 0.000 0.248 255 V C 2.126 178.120 176.094 -0.168 0.000 1.051 255 V CA 2.115 64.141 62.300 -0.455 0.000 1.048 255 V CB -1.318 30.454 31.823 -0.085 0.000 0.666 255 V HN 0.587 nan 8.190 nan 0.000 0.456 256 N N 0.829 119.419 118.700 -0.183 0.000 2.120 256 N HA -0.236 4.530 4.740 0.044 0.000 0.188 256 N C 1.705 177.189 175.510 -0.043 0.000 1.024 256 N CA 1.718 54.722 53.050 -0.077 0.000 0.852 256 N CB -0.305 38.126 38.487 -0.093 0.000 1.003 256 N HN 0.633 nan 8.380 nan 0.000 0.424 257 D N 0.597 120.917 120.400 -0.132 0.000 2.097 257 D HA -0.166 4.501 4.640 0.044 0.000 0.195 257 D C 1.650 178.031 176.300 0.134 0.000 0.989 257 D CA 1.091 55.064 54.000 -0.046 0.000 0.827 257 D CB -0.056 40.665 40.800 -0.132 0.000 0.966 257 D HN 0.241 nan 8.370 nan 0.000 0.456 258 W N 0.852 122.162 121.300 0.015 0.000 2.333 258 W HA -0.071 4.616 4.660 0.045 0.000 0.316 258 W C 2.488 179.101 176.519 0.157 0.000 1.215 258 W CA 0.351 57.722 57.345 0.044 0.000 1.278 258 W CB -1.359 28.074 29.460 -0.044 0.000 1.154 258 W HN 0.110 nan 8.180 nan 0.000 0.486 259 L N 0.079 121.501 121.223 0.332 0.000 2.042 259 L HA -0.208 4.159 4.340 0.044 0.000 0.210 259 L C 2.600 179.576 176.870 0.177 0.000 1.076 259 L CA 1.623 56.601 54.840 0.230 0.000 0.749 259 L CB -1.229 40.927 42.059 0.162 0.000 0.893 259 L HN -0.086 nan 8.230 nan 0.000 0.432 260 A N -0.277 122.632 122.820 0.149 0.000 2.015 260 A HA -0.042 4.304 4.320 0.044 0.000 0.219 260 A C 2.245 179.904 177.584 0.125 0.000 1.163 260 A CA 1.401 53.503 52.037 0.108 0.000 0.646 260 A CB -0.483 18.563 19.000 0.076 0.000 0.806 260 A HN 0.395 nan 8.150 nan 0.000 0.448 261 A N -1.636 121.307 122.820 0.205 0.000 2.259 261 A HA 0.426 4.773 4.320 0.044 0.000 0.208 261 A C 1.656 179.293 177.584 0.088 0.000 1.201 261 A CA 1.059 53.221 52.037 0.208 0.000 0.824 261 A CB -0.988 18.243 19.000 0.384 0.000 0.838 261 A HN 1.821 nan 8.150 nan 0.000 0.485 262 G N -2.047 106.800 108.800 0.078 0.000 2.136 262 G HA2 -0.295 3.692 3.960 0.044 0.000 0.242 262 G HA3 -0.295 3.692 3.960 0.044 0.000 0.242 262 G C -0.032 174.790 174.900 -0.129 0.000 0.989 262 G CA 0.203 45.280 45.100 -0.038 0.000 0.682 262 G HN 0.442 nan 8.290 nan 0.000 0.522 263 Y N 0.395 120.716 120.300 0.034 0.000 2.411 263 Y HA 0.430 5.007 4.550 0.044 0.000 0.333 263 Y C 1.629 177.526 175.900 -0.004 0.000 1.186 263 Y CA 0.847 58.936 58.100 -0.018 0.000 1.381 263 Y CB 0.696 39.116 38.460 -0.067 0.000 1.273 263 Y HN 0.278 nan 8.280 nan 0.000 0.546 264 E N 0.107 120.353 120.200 0.076 0.000 2.536 264 E HA 0.175 4.552 4.350 0.044 0.000 0.220 264 E C -0.424 176.202 176.600 0.043 0.000 0.876 264 E CA 0.096 56.527 56.400 0.053 0.000 1.190 264 E CB 0.841 30.547 29.700 0.009 0.000 1.191 264 E HN 0.413 nan 8.360 nan 0.000 0.557 265 S N 0.604 116.299 115.700 -0.008 0.000 2.599 265 S HA 0.613 5.109 4.470 0.044 0.000 0.287 265 S C -1.022 173.469 174.600 -0.183 0.000 1.105 265 S CA -0.641 57.527 58.200 -0.054 0.000 0.899 265 S CB 2.398 65.549 63.200 -0.081 0.000 1.100 265 S HN 0.181 nan 8.310 nan 0.000 0.482 266 I N 2.135 122.602 120.570 -0.172 0.000 2.607 266 I HA 0.681 4.878 4.170 0.044 0.000 0.290 266 I C -1.571 174.419 176.117 -0.212 0.000 1.129 266 I CA -0.872 60.206 61.300 -0.369 0.000 1.042 266 I CB 1.462 39.172 38.000 -0.483 0.000 1.242 266 I HN 0.553 nan 8.210 nan 0.000 0.421 267 V N 3.373 123.056 119.914 -0.386 0.000 2.656 267 V HA 0.633 4.780 4.120 0.044 0.000 0.307 267 V C -1.324 174.608 176.094 -0.271 0.000 1.051 267 V CA -0.530 61.684 62.300 -0.144 0.000 0.893 267 V CB 1.622 33.394 31.823 -0.086 0.000 0.999 267 V HN 0.561 nan 8.190 nan 0.000 0.426 268 F N 5.182 125.106 119.950 -0.043 0.000 2.444 268 F HA 0.804 5.358 4.527 0.044 0.000 0.342 268 F C 0.229 175.991 175.800 -0.064 0.000 1.121 268 F CA -0.818 57.150 58.000 -0.054 0.000 0.997 268 F CB 1.822 40.837 39.000 0.025 0.000 1.130 268 F HN 0.738 nan 8.300 nan 0.000 0.454 269 I N 0.022 120.602 120.570 0.017 0.000 2.785 269 I HA 0.590 4.786 4.170 0.044 0.000 0.302 269 I C -0.740 175.332 176.117 -0.076 0.000 1.069 269 I CA -1.100 60.159 61.300 -0.069 0.000 1.045 269 I CB 1.803 39.662 38.000 -0.235 0.000 1.236 269 I HN 0.315 nan 8.210 nan 0.000 0.429 270 Q N 2.532 122.301 119.800 -0.050 0.000 2.237 270 Q HA 0.153 4.520 4.340 0.044 0.000 0.219 270 Q C 0.206 176.186 176.000 -0.034 0.000 0.999 270 Q CA -0.257 55.535 55.803 -0.018 0.000 0.959 270 Q CB 1.252 30.009 28.738 0.031 0.000 1.173 270 Q HN 0.871 nan 8.270 nan 0.000 0.527 271 D N -1.052 119.346 120.400 -0.004 0.000 2.183 271 D HA -0.112 4.554 4.640 0.044 0.000 0.203 271 D C 0.903 177.165 176.300 -0.063 0.000 0.969 271 D CA 1.281 55.306 54.000 0.042 0.000 0.842 271 D CB -0.136 40.672 40.800 0.014 0.000 0.957 271 D HN 0.538 nan 8.370 nan 0.000 0.484 272 T N -3.144 111.249 114.554 -0.268 0.000 3.533 272 T HA 0.236 4.613 4.350 0.044 0.000 0.275 272 T C -0.332 174.128 174.700 -0.400 0.000 1.000 272 T CA -0.926 60.662 62.100 -0.854 0.000 1.015 272 T CB -0.807 67.552 68.868 -0.849 0.000 1.153 272 T HN -0.011 nan 8.240 nan 0.000 0.504 273 N N 1.029 119.732 118.700 0.004 0.000 2.696 273 N HA 0.594 5.360 4.740 0.044 0.000 0.246 273 N C 0.999 176.668 175.510 0.265 0.000 1.057 273 N CA -0.343 52.753 53.050 0.076 0.000 0.867 273 N CB 1.229 39.730 38.487 0.022 0.000 1.141 273 N HN 0.310 nan 8.380 nan 0.000 0.517 274 A N 2.133 125.106 122.820 0.255 0.000 2.121 274 A HA 0.053 4.400 4.320 0.044 0.000 0.218 274 A C 1.865 179.564 177.584 0.192 0.000 1.154 274 A CA 1.377 53.538 52.037 0.206 0.000 0.679 274 A CB -0.626 18.282 19.000 -0.152 0.000 0.795 274 A HN 0.626 nan 8.150 nan 0.000 0.458 275 G N -0.495 108.347 108.800 0.070 0.000 2.470 275 G HA2 0.034 4.021 3.960 0.044 0.000 0.220 275 G HA3 0.034 4.021 3.960 0.044 0.000 0.220 275 G C 1.575 176.439 174.900 -0.060 0.000 1.121 275 G CA 1.091 46.180 45.100 -0.017 0.000 0.766 275 G HN 0.725 nan 8.290 nan 0.000 0.553 276 A N 1.085 123.891 122.820 -0.022 0.000 1.940 276 A HA -0.096 4.250 4.320 0.044 0.000 0.219 276 A C 2.626 180.063 177.584 -0.245 0.000 1.176 276 A CA 2.569 54.541 52.037 -0.109 0.000 0.631 276 A CB -1.040 17.922 19.000 -0.064 0.000 0.814 276 A HN 0.557 nan 8.150 nan 0.000 0.446 277 T N -2.405 111.920 114.554 -0.381 0.000 3.051 277 T HA 0.017 4.393 4.350 0.044 0.000 0.269 277 T C 1.544 176.035 174.700 -0.349 0.000 1.127 277 T CA 1.155 62.733 62.100 -0.870 0.000 1.107 277 T CB -0.268 67.791 68.868 -1.349 0.000 0.898 277 T HN 0.292 nan 8.240 nan 0.000 0.517 278 I N 2.403 122.869 120.570 -0.173 0.000 2.731 278 I HA 0.021 4.218 4.170 0.044 0.000 0.260 278 I C 2.878 178.957 176.117 -0.062 0.000 1.138 278 I CA 1.542 62.810 61.300 -0.054 0.000 1.461 278 I CB -1.435 36.553 38.000 -0.020 0.000 1.128 278 I HN 0.493 nan 8.210 nan 0.000 0.438 279 T N -0.779 113.639 114.554 -0.226 0.000 2.896 279 T HA 0.054 4.431 4.350 0.044 0.000 0.263 279 T C 2.023 176.632 174.700 -0.151 0.000 1.050 279 T CA 0.588 62.392 62.100 -0.493 0.000 1.140 279 T CB -0.517 67.699 68.868 -1.086 0.000 0.877 279 T HN 0.143 nan 8.240 nan 0.000 0.457 280 I N 2.315 122.860 120.570 -0.042 0.000 2.163 280 I HA -0.087 4.110 4.170 0.044 0.000 0.243 280 I C -0.533 175.693 176.117 0.181 0.000 1.085 280 I CA 1.371 62.734 61.300 0.105 0.000 1.347 280 I CB -1.073 37.059 38.000 0.221 0.000 1.044 280 I HN 0.239 nan 8.210 nan 0.000 0.408 281 P HA -0.167 nan 4.420 nan 0.000 0.215 281 P C 1.797 179.197 177.300 0.167 0.000 1.153 281 P CA 1.434 64.655 63.100 0.201 0.000 0.853 281 P CB -0.086 31.743 31.700 0.214 0.000 0.788 282 I N -0.656 120.041 120.570 0.211 0.000 2.226 282 I HA -0.167 4.030 4.170 0.044 0.000 0.245 282 I C 2.128 178.380 176.117 0.225 0.000 1.100 282 I CA 1.704 63.147 61.300 0.238 0.000 1.374 282 I CB -1.832 36.406 38.000 0.396 0.000 1.057 282 I HN -0.038 nan 8.210 nan 0.000 0.413 283 S N 1.179 117.058 115.700 0.297 0.000 2.368 283 S HA -0.107 4.389 4.470 0.044 0.000 0.225 283 S C 2.153 176.812 174.600 0.097 0.000 1.030 283 S CA 1.114 59.447 58.200 0.220 0.000 0.999 283 S CB -0.405 62.919 63.200 0.207 0.000 0.844 283 S HN 0.355 nan 8.310 nan 0.000 0.459 284 L N 1.117 122.392 121.223 0.086 0.000 2.017 284 L HA -0.161 4.205 4.340 0.044 0.000 0.208 284 L C 2.823 179.704 176.870 0.018 0.000 1.073 284 L CA 1.289 56.154 54.840 0.041 0.000 0.745 284 L CB -0.718 41.369 42.059 0.046 0.000 0.894 284 L HN 0.332 nan 8.230 nan 0.000 0.432 285 A N -0.043 122.795 122.820 0.031 0.000 1.902 285 A HA -0.175 4.171 4.320 0.044 0.000 0.217 285 A C 2.229 179.783 177.584 -0.050 0.000 1.181 285 A CA 1.550 53.584 52.037 -0.005 0.000 0.623 285 A CB -0.709 18.299 19.000 0.013 0.000 0.818 285 A HN 0.376 nan 8.150 nan 0.000 0.443 286 L N -0.787 120.418 121.223 -0.030 0.000 2.156 286 L HA -0.090 4.277 4.340 0.044 0.000 0.208 286 L C 2.758 179.569 176.870 -0.099 0.000 1.095 286 L CA 1.072 55.870 54.840 -0.070 0.000 0.770 286 L CB -0.278 41.764 42.059 -0.028 0.000 0.914 286 L HN 0.304 nan 8.230 nan 0.000 0.439 287 S N -0.125 115.543 115.700 -0.054 0.000 2.382 287 S HA -0.146 4.351 4.470 0.044 0.000 0.228 287 S C 2.155 176.721 174.600 -0.056 0.000 1.027 287 S CA 1.230 59.403 58.200 -0.046 0.000 0.991 287 S CB -0.126 63.061 63.200 -0.022 0.000 0.823 287 S HN 0.504 nan 8.310 nan 0.000 0.469 288 A N 1.208 123.987 122.820 -0.067 0.000 1.897 288 A HA -0.072 4.275 4.320 0.044 0.000 0.215 288 A C 1.990 179.493 177.584 -0.135 0.000 1.181 288 A CA 1.485 53.479 52.037 -0.072 0.000 0.620 288 A CB -0.549 18.417 19.000 -0.058 0.000 0.821 288 A HN 0.587 nan 8.150 nan 0.000 0.443 289 E N -1.051 119.009 120.200 -0.233 0.000 2.150 289 E HA -0.207 4.169 4.350 0.044 0.000 0.193 289 E C 0.900 177.176 176.600 -0.540 0.000 0.985 289 E CA 1.097 57.252 56.400 -0.410 0.000 0.814 289 E CB -0.096 29.265 29.700 -0.566 0.000 0.752 289 E HN 0.747 nan 8.360 nan 0.000 0.466 290 H N -0.595 118.331 119.070 -0.241 0.000 2.592 290 H HA 0.231 4.814 4.556 0.044 0.000 0.279 290 H C -0.178 175.081 175.328 -0.115 0.000 1.089 290 H CA 0.442 56.334 56.048 -0.260 0.000 1.150 290 H CB 0.846 30.192 29.762 -0.693 0.000 1.575 290 H HN -0.019 nan 8.280 nan 0.000 0.547 291 S N 1.176 116.870 115.700 -0.010 0.000 3.524 291 S HA -0.175 4.322 4.470 0.044 0.000 0.377 291 S C 0.295 174.937 174.600 0.070 0.000 0.949 291 S CA 0.114 58.333 58.200 0.031 0.000 1.264 291 S CB -1.854 61.371 63.200 0.042 0.000 0.918 291 S HN 0.343 nan 8.310 nan 0.000 0.517 292 L N 1.455 122.709 121.223 0.051 0.000 2.289 292 L HA 0.361 4.728 4.340 0.044 0.000 0.285 292 L C 1.326 178.233 176.870 0.061 0.000 1.049 292 L CA -0.656 54.222 54.840 0.063 0.000 0.804 292 L CB 0.757 42.837 42.059 0.034 0.000 1.195 292 L HN 0.210 nan 8.230 nan 0.000 0.428 293 D N 2.552 123.010 120.400 0.096 0.000 2.183 293 D HA 0.017 4.684 4.640 0.044 0.000 0.205 293 D C 0.394 176.651 176.300 -0.071 0.000 0.962 293 D CA 1.277 55.356 54.000 0.132 0.000 0.849 293 D CB 0.720 41.723 40.800 0.338 0.000 0.978 293 D HN 0.391 nan 8.370 nan 0.000 0.488 294 M N 0.770 120.205 119.600 -0.276 0.000 2.393 294 M HA 0.273 4.779 4.480 0.044 0.000 0.299 294 M C -1.865 174.205 176.300 -0.383 0.000 1.103 294 M CA -0.621 54.316 55.300 -0.603 0.000 0.910 294 M CB 2.545 34.597 32.600 -0.913 0.000 1.659 294 M HN -0.345 nan 8.290 nan 0.000 0.445 295 N N 4.333 122.751 118.700 -0.470 0.000 2.540 295 N HA 0.359 5.125 4.740 0.044 0.000 0.275 295 N C -2.089 173.289 175.510 -0.220 0.000 1.053 295 N CA -0.280 52.658 53.050 -0.187 0.000 0.876 295 N CB 0.731 39.160 38.487 -0.096 0.000 1.284 295 N HN 0.505 nan 8.380 nan 0.000 0.518 296 F N 1.216 121.084 119.950 -0.135 0.000 2.467 296 F HA 0.192 4.745 4.527 0.044 0.000 0.362 296 F C 1.343 177.139 175.800 -0.006 0.000 1.090 296 F CA 0.044 57.989 58.000 -0.092 0.000 1.202 296 F CB 0.739 39.689 39.000 -0.082 0.000 1.113 296 F HN 0.179 nan 8.300 nan 0.000 0.541 297 T N 3.811 118.459 114.554 0.157 0.000 2.779 297 T HA 0.340 4.717 4.350 0.044 0.000 0.296 297 T C -0.202 174.592 174.700 0.156 0.000 0.938 297 T CA -0.318 61.897 62.100 0.191 0.000 1.119 297 T CB -0.046 68.852 68.868 0.049 0.000 0.891 297 T HN 0.570 nan 8.240 nan 0.000 0.526 298 C N 3.803 123.225 119.300 0.205 0.000 2.848 298 C HA 0.851 5.337 4.460 0.044 0.000 0.317 298 C C 0.102 175.130 174.990 0.063 0.000 1.260 298 C CA -1.113 57.943 59.018 0.063 0.000 1.656 298 C CB 0.886 28.629 27.740 0.005 0.000 2.174 298 C HN 0.965 nan 8.230 nan 0.000 0.479 299 I N -1.121 119.406 120.570 -0.071 0.000 2.934 299 I HA 0.616 4.812 4.170 0.044 0.000 0.306 299 I C -3.081 172.917 176.117 -0.197 0.000 1.110 299 I CA -2.567 58.674 61.300 -0.098 0.000 1.019 299 I CB 1.796 39.729 38.000 -0.112 0.000 1.227 299 I HN 0.285 nan 8.210 nan 0.000 0.434 300 P HA 0.215 nan 4.420 nan 0.000 0.271 300 P C -1.415 175.587 177.300 -0.498 0.000 1.220 300 P CA -0.080 62.691 63.100 -0.548 0.000 0.768 300 P CB 0.395 31.396 31.700 -1.165 0.000 0.848 301 R N 1.713 122.099 120.500 -0.189 0.000 2.637 301 R HA 0.677 5.044 4.340 0.044 0.000 0.291 301 R C -0.521 175.934 176.300 0.258 0.000 0.963 301 R CA -1.226 54.881 56.100 0.011 0.000 0.901 301 R CB 0.878 31.167 30.300 -0.018 0.000 1.160 301 R HN 0.219 nan 8.270 nan 0.000 0.457 302 V N -0.832 119.268 119.914 0.311 0.000 2.686 302 V HA 0.317 4.464 4.120 0.044 0.000 0.295 302 V C -2.011 174.147 176.094 0.106 0.000 1.057 302 V CA -2.264 60.179 62.300 0.238 0.000 1.012 302 V CB 1.071 33.003 31.823 0.182 0.000 1.006 302 V HN 0.688 nan 8.190 nan 0.000 0.477 303 P HA -0.019 nan 4.420 nan 0.000 0.240 303 P C 0.133 177.444 177.300 0.018 0.000 1.186 303 P CA 1.061 64.188 63.100 0.044 0.000 0.755 303 P CB -0.057 31.674 31.700 0.052 0.000 0.870 304 K N 0.620 121.026 120.400 0.009 0.000 2.877 304 K HA 0.254 4.601 4.320 0.044 0.000 0.176 304 K C -0.802 175.767 176.600 -0.052 0.000 1.075 304 K CA -0.254 56.017 56.287 -0.027 0.000 0.939 304 K CB 0.033 32.529 32.500 -0.006 0.000 1.237 304 K HN -0.044 nan 8.250 nan 0.000 0.607 305 E N 1.404 121.529 120.200 -0.125 0.000 2.343 305 E HA 0.236 4.613 4.350 0.044 0.000 0.278 305 E C -2.468 173.917 176.600 -0.359 0.000 0.910 305 E CA -2.049 54.272 56.400 -0.131 0.000 0.757 305 E CB 1.993 31.684 29.700 -0.014 0.000 1.218 305 E HN 0.099 nan 8.360 nan 0.000 0.435 306 P HA 0.149 nan 4.420 nan 0.000 0.235 306 P C -0.413 176.961 177.300 0.123 0.000 1.725 306 P CA 0.259 63.209 63.100 -0.249 0.000 0.894 306 P CB -0.657 31.007 31.700 -0.059 0.000 1.704 307 I N -4.064 116.578 120.570 0.121 0.000 2.689 307 I HA 0.760 4.957 4.170 0.044 0.000 0.299 307 I C 0.189 176.416 176.117 0.185 0.000 1.059 307 I CA -1.450 59.930 61.300 0.134 0.000 1.055 307 I CB 2.250 40.232 38.000 -0.029 0.000 1.243 307 I HN -0.187 nan 8.210 nan 0.000 0.425 308 G N 4.249 113.103 108.800 0.090 0.000 2.569 308 G HA2 0.488 4.475 3.960 0.044 0.000 0.249 308 G HA3 0.488 4.475 3.960 0.044 0.000 0.249 308 G C -0.654 174.207 174.900 -0.065 0.000 1.216 308 G CA -0.516 44.588 45.100 0.007 0.000 0.845 308 G HN 0.447 nan 8.290 nan 0.000 0.568 309 L N 0.234 121.378 121.223 -0.132 0.000 2.322 309 L HA 0.369 4.735 4.340 0.044 0.000 0.279 309 L C 0.119 176.874 176.870 -0.192 0.000 1.036 309 L CA -0.786 53.939 54.840 -0.192 0.000 0.807 309 L CB 1.586 43.411 42.059 -0.391 0.000 1.226 309 L HN 0.356 nan 8.230 nan 0.000 0.433 310 L N 3.163 124.270 121.223 -0.193 0.000 2.325 310 L HA 0.399 4.766 4.340 0.044 0.000 0.284 310 L C -0.690 176.113 176.870 -0.111 0.000 1.089 310 L CA 0.523 55.186 54.840 -0.295 0.000 0.836 310 L CB 0.078 41.906 42.059 -0.385 0.000 1.184 310 L HN 0.688 nan 8.230 nan 0.000 0.444 311 C N 4.333 123.572 119.300 -0.101 0.000 2.614 311 C HA 0.547 5.034 4.460 0.044 0.000 0.320 311 C C 0.184 175.169 174.990 -0.009 0.000 1.200 311 C CA -1.102 57.958 59.018 0.069 0.000 1.700 311 C CB 1.954 29.721 27.740 0.046 0.000 2.275 311 C HN 0.759 nan 8.230 nan 0.000 0.492 312 R N 1.481 122.004 120.500 0.038 0.000 2.234 312 R HA 0.535 4.902 4.340 0.044 0.000 0.324 312 R C -0.130 176.324 176.300 0.257 0.000 1.054 312 R CA 0.381 56.517 56.100 0.061 0.000 0.912 312 R CB 0.799 30.991 30.300 -0.181 0.000 1.030 312 R HN 1.004 nan 8.270 nan 0.000 0.455 313 T N 0.722 115.467 114.554 0.318 0.000 2.916 313 T HA 0.446 4.822 4.350 0.044 0.000 0.292 313 T C -0.801 174.025 174.700 0.210 0.000 1.055 313 T CA -0.984 61.212 62.100 0.159 0.000 1.009 313 T CB 2.016 70.731 68.868 -0.256 0.000 1.118 313 T HN 0.525 nan 8.240 nan 0.000 0.497 314 K N 1.292 121.726 120.400 0.057 0.000 2.716 314 K HA 0.354 4.701 4.320 0.044 0.000 0.249 314 K C 0.534 177.186 176.600 0.087 0.000 1.004 314 K CA -0.742 55.468 56.287 -0.129 0.000 0.968 314 K CB 1.414 33.514 32.500 -0.668 0.000 1.214 314 K HN 0.552 nan 8.250 nan 0.000 0.476 315 K N 2.174 122.667 120.400 0.155 0.000 1.991 315 K HA -0.073 4.274 4.320 0.044 0.000 0.212 315 K C -0.287 176.305 176.600 -0.014 0.000 1.049 315 K CA 1.846 58.190 56.287 0.094 0.000 0.932 315 K CB -0.048 32.458 32.500 0.010 0.000 0.717 315 K HN 0.621 nan 8.250 nan 0.000 0.441 316 N N -1.649 117.023 118.700 -0.046 0.000 2.362 316 N HA 0.188 4.954 4.740 0.044 0.000 0.299 316 N C 0.137 175.594 175.510 -0.088 0.000 1.170 316 N CA -0.235 52.778 53.050 -0.062 0.000 0.825 316 N CB 1.972 40.424 38.487 -0.057 0.000 1.299 316 N HN -0.136 nan 8.380 nan 0.000 0.502 317 S N -0.080 115.575 115.700 -0.076 0.000 2.402 317 S HA -0.156 4.341 4.470 0.044 0.000 0.233 317 S C 1.804 176.342 174.600 -0.103 0.000 1.030 317 S CA 1.539 59.686 58.200 -0.088 0.000 1.003 317 S CB -0.446 62.720 63.200 -0.056 0.000 0.813 317 S HN 0.807 nan 8.310 nan 0.000 0.477 318 G N 1.145 109.895 108.800 -0.084 0.000 2.551 318 G HA2 0.002 3.989 3.960 0.044 0.000 0.216 318 G HA3 0.002 3.989 3.960 0.044 0.000 0.216 318 G C 0.111 174.953 174.900 -0.097 0.000 1.137 318 G CA -0.149 44.905 45.100 -0.077 0.000 0.798 318 G HN 0.328 nan 8.290 nan 0.000 0.536 319 D N 1.567 121.900 120.400 -0.112 0.000 2.400 319 D HA 0.187 4.854 4.640 0.044 0.000 0.238 319 D C -1.722 174.470 176.300 -0.178 0.000 1.157 319 D CA -0.833 53.101 54.000 -0.110 0.000 0.889 319 D CB 1.149 41.898 40.800 -0.086 0.000 1.199 319 D HN 0.128 nan 8.370 nan 0.000 0.436 320 P HA 0.108 nan 4.420 nan 0.000 0.275 320 P C -0.422 176.803 177.300 -0.124 0.000 1.266 320 P CA -0.553 62.491 63.100 -0.095 0.000 0.793 320 P CB 0.520 32.240 31.700 0.033 0.000 1.074 321 W N -0.071 121.265 121.300 0.059 0.000 2.218 321 W HA 0.418 5.105 4.660 0.044 0.000 0.326 321 W C 0.152 176.716 176.519 0.075 0.000 1.276 321 W CA -0.126 57.254 57.345 0.058 0.000 1.210 321 W CB 0.282 29.767 29.460 0.042 0.000 1.143 321 W HN 0.076 nan 8.180 nan 0.000 0.563 322 L N 3.062 124.491 121.223 0.342 0.000 2.386 322 L HA 0.506 4.873 4.340 0.044 0.000 0.271 322 L C -0.693 176.302 176.870 0.209 0.000 0.993 322 L CA -1.251 53.740 54.840 0.251 0.000 0.819 322 L CB 1.825 44.006 42.059 0.203 0.000 1.294 322 L HN 0.005 nan 8.230 nan 0.000 0.414 323 V N 2.868 122.880 119.914 0.164 0.000 2.333 323 V HA 0.782 4.929 4.120 0.044 0.000 0.274 323 V C 0.141 176.261 176.094 0.044 0.000 1.028 323 V CA -0.169 62.170 62.300 0.064 0.000 0.851 323 V CB 0.997 32.844 31.823 0.040 0.000 1.000 323 V HN 0.862 nan 8.190 nan 0.000 0.456 324 A N 4.335 127.116 122.820 -0.065 0.000 2.593 324 A HA 0.714 5.060 4.320 0.044 0.000 0.290 324 A C -0.632 176.806 177.584 -0.243 0.000 1.126 324 A CA -0.908 51.090 52.037 -0.065 0.000 0.695 324 A CB 1.327 20.377 19.000 0.082 0.000 1.290 324 A HN 0.709 nan 8.150 nan 0.000 0.414 325 N N -0.195 118.401 118.700 -0.174 0.000 2.470 325 N HA 0.440 5.207 4.740 0.044 0.000 0.268 325 N C -1.085 174.377 175.510 -0.080 0.000 1.136 325 N CA 0.307 53.266 53.050 -0.153 0.000 0.961 325 N CB 0.772 39.260 38.487 0.001 0.000 1.067 325 N HN 0.407 nan 8.380 nan 0.000 0.468 326 V N 2.926 122.774 119.914 -0.110 0.000 2.531 326 V HA 0.279 4.426 4.120 0.044 0.000 0.301 326 V C -0.283 175.747 176.094 -0.107 0.000 1.034 326 V CA -1.001 61.251 62.300 -0.079 0.000 0.865 326 V CB 1.544 33.316 31.823 -0.084 0.000 0.995 326 V HN 0.664 nan 8.190 nan 0.000 0.424 327 E N 2.911 123.015 120.200 -0.160 0.000 2.398 327 E HA 0.074 4.451 4.350 0.044 0.000 0.263 327 E C 0.733 177.159 176.600 -0.290 0.000 1.046 327 E CA 0.061 56.244 56.400 -0.361 0.000 0.908 327 E CB 0.508 29.876 29.700 -0.554 0.000 0.963 327 E HN 0.727 nan 8.360 nan 0.000 0.431 328 Y N 2.562 122.868 120.300 0.009 0.000 2.014 328 Y HA -0.385 4.192 4.550 0.046 0.000 0.272 328 Y C 1.809 177.771 175.900 0.104 0.000 1.164 328 Y CA 1.881 60.008 58.100 0.046 0.000 1.114 328 Y CB -1.167 37.305 38.460 0.021 0.000 0.961 328 Y HN 0.531 nan 8.280 nan 0.000 0.489 329 N N 1.472 120.228 118.700 0.094 0.000 2.036 329 N HA -0.248 4.518 4.740 0.044 0.000 0.199 329 N C 1.817 177.353 175.510 0.043 0.000 1.036 329 N CA 2.444 55.553 53.050 0.097 0.000 0.870 329 N CB -1.238 37.267 38.487 0.030 0.000 1.055 329 N HN 0.410 nan 8.380 nan 0.000 0.436 330 V N 1.261 121.164 119.914 -0.018 0.000 2.282 330 V HA -0.251 3.896 4.120 0.044 0.000 0.249 330 V C 2.315 178.461 176.094 0.086 0.000 1.057 330 V CA 2.077 64.398 62.300 0.036 0.000 1.032 330 V CB -1.086 30.766 31.823 0.049 0.000 0.645 330 V HN 0.224 nan 8.190 nan 0.000 0.447 331 F N 1.453 121.372 119.950 -0.051 0.000 2.065 331 F HA -0.239 4.315 4.527 0.045 0.000 0.298 331 F C 2.323 178.083 175.800 -0.067 0.000 1.112 331 F CA 1.850 59.794 58.000 -0.094 0.000 1.212 331 F CB -0.760 38.144 39.000 -0.160 0.000 0.975 331 F HN 0.071 nan 8.300 nan 0.000 0.476 332 A N 0.098 122.920 122.820 0.004 0.000 1.873 332 A HA -0.272 4.075 4.320 0.044 0.000 0.218 332 A C 2.013 179.514 177.584 -0.139 0.000 1.193 332 A CA 2.139 54.122 52.037 -0.090 0.000 0.629 332 A CB -1.161 17.880 19.000 0.070 0.000 0.826 332 A HN 0.530 nan 8.150 nan 0.000 0.447 333 E N -0.598 119.566 120.200 -0.059 0.000 2.118 333 E HA -0.121 4.256 4.350 0.044 0.000 0.195 333 E C 1.872 178.427 176.600 -0.075 0.000 0.992 333 E CA 1.337 57.708 56.400 -0.049 0.000 0.804 333 E CB -0.269 29.422 29.700 -0.016 0.000 0.741 333 E HN 0.383 nan 8.360 nan 0.000 0.458 334 V N 0.134 119.989 119.914 -0.098 0.000 2.591 334 V HA -0.183 3.964 4.120 0.044 0.000 0.249 334 V C 2.039 178.038 176.094 -0.160 0.000 1.053 334 V CA 1.490 63.748 62.300 -0.070 0.000 1.068 334 V CB -0.259 31.591 31.823 0.045 0.000 0.689 334 V HN 0.217 nan 8.190 nan 0.000 0.462 335 S N 0.393 115.902 115.700 -0.319 0.000 2.351 335 S HA -0.235 4.262 4.470 0.044 0.000 0.220 335 S C 2.101 176.606 174.600 -0.158 0.000 1.035 335 S CA 1.843 59.853 58.200 -0.317 0.000 1.031 335 S CB -0.292 62.633 63.200 -0.458 0.000 0.928 335 S HN 0.567 nan 8.310 nan 0.000 0.433 336 R N 1.737 122.162 120.500 -0.126 0.000 2.082 336 R HA -0.027 4.340 4.340 0.044 0.000 0.234 336 R C 2.598 178.866 176.300 -0.053 0.000 1.136 336 R CA 1.400 57.457 56.100 -0.072 0.000 0.935 336 R CB -0.804 29.462 30.300 -0.055 0.000 0.842 336 R HN 0.409 nan 8.270 nan 0.000 0.430 337 A N 0.447 123.236 122.820 -0.051 0.000 2.032 337 A HA -0.077 4.269 4.320 0.044 0.000 0.221 337 A C 0.656 178.224 177.584 -0.028 0.000 1.165 337 A CA 1.265 53.281 52.037 -0.035 0.000 0.645 337 A CB -0.220 18.761 19.000 -0.031 0.000 0.807 337 A HN 0.104 nan 8.150 nan 0.000 0.453 352 F N 1.596 121.555 119.950 0.014 0.000 2.450 352 F HA 0.670 5.223 4.527 0.043 0.000 0.328 352 F C 1.139 176.951 175.800 0.020 0.000 1.068 352 F CA -1.014 56.995 58.000 0.014 0.000 1.007 352 F CB 1.218 40.224 39.000 0.009 0.000 1.251 352 F HN -0.079 nan 8.300 nan 0.000 0.492 353 S N 1.291 117.129 115.700 0.229 0.000 2.572 353 S HA 0.036 4.533 4.470 0.044 0.000 0.267 353 S C -1.697 173.007 174.600 0.174 0.000 1.361 353 S CA -0.705 57.596 58.200 0.167 0.000 1.009 353 S CB 0.334 63.594 63.200 0.100 0.000 0.888 353 S HN 0.424 nan 8.310 nan 0.000 0.553 354 P HA 0.087 nan 4.420 nan 0.000 0.223 354 P C -0.311 176.935 177.300 -0.089 0.000 1.151 354 P CA 0.750 63.879 63.100 0.048 0.000 0.787 354 P CB 0.072 31.792 31.700 0.032 0.000 0.788 355 F N 1.699 121.574 119.950 -0.124 0.000 2.411 355 F HA 0.328 4.881 4.527 0.044 0.000 0.350 355 F C -1.747 173.940 175.800 -0.189 0.000 1.114 355 F CA -3.187 54.697 58.000 -0.194 0.000 1.135 355 F CB 0.059 38.871 39.000 -0.313 0.000 1.120 355 F HN -0.154 nan 8.300 nan 0.000 0.495 356 P HA 0.204 nan 4.420 nan 0.000 0.274 356 P C -0.168 177.071 177.300 -0.102 0.000 1.237 356 P CA -0.326 62.715 63.100 -0.099 0.000 0.793 356 P CB 0.972 32.595 31.700 -0.127 0.000 0.977 357 G N 0.256 108.986 108.800 -0.118 0.000 2.356 357 G HA2 0.378 4.365 3.960 0.044 0.000 0.322 357 G HA3 0.378 4.365 3.960 0.044 0.000 0.322 357 G C -0.467 174.351 174.900 -0.137 0.000 1.125 357 G CA -0.368 44.657 45.100 -0.126 0.000 0.885 357 G HN 0.483 nan 8.290 nan 0.000 0.467 358 S N 0.594 116.229 115.700 -0.108 0.000 2.489 358 S HA 0.204 4.701 4.470 0.044 0.000 0.277 358 S C 1.276 175.811 174.600 -0.108 0.000 1.230 358 S CA -0.330 57.844 58.200 -0.043 0.000 1.053 358 S CB 1.188 64.423 63.200 0.058 0.000 0.955 358 S HN 1.174 nan 8.310 nan 0.000 0.488 359 V N 2.331 122.161 119.914 -0.139 0.000 3.649 359 V HA 0.364 4.511 4.120 0.044 0.000 0.275 359 V C 0.712 176.800 176.094 -0.011 0.000 1.281 359 V CA 0.537 62.701 62.300 -0.228 0.000 1.143 359 V CB -1.414 30.214 31.823 -0.325 0.000 0.892 359 V HN 0.980 nan 8.190 nan 0.000 0.441 360 N N 0.560 119.286 118.700 0.043 0.000 2.780 360 N HA -0.155 4.612 4.740 0.044 0.000 0.248 360 N C -0.135 175.408 175.510 0.056 0.000 1.102 360 N CA 1.291 54.385 53.050 0.074 0.000 0.697 360 N CB -1.691 36.853 38.487 0.095 0.000 1.028 360 N HN 0.743 nan 8.380 nan 0.000 0.554 361 T N 1.316 115.887 114.554 0.028 0.000 2.753 361 T HA 0.516 4.892 4.350 0.044 0.000 0.297 361 T C 0.483 175.169 174.700 -0.024 0.000 0.981 361 T CA -0.432 61.677 62.100 0.016 0.000 0.956 361 T CB 0.829 69.687 68.868 -0.017 0.000 0.936 361 T HN 0.116 nan 8.240 nan 0.000 0.463 362 L N 3.703 124.925 121.223 -0.000 0.000 2.296 362 L HA 0.674 5.041 4.340 0.044 0.000 0.286 362 L C -0.470 176.328 176.870 -0.119 0.000 1.023 362 L CA -1.131 53.601 54.840 -0.180 0.000 0.812 362 L CB 1.631 43.595 42.059 -0.159 0.000 1.223 362 L HN 0.291 nan 8.230 nan 0.000 0.421 363 V N 3.646 123.342 119.914 -0.364 0.000 2.409 363 V HA 0.484 4.631 4.120 0.044 0.000 0.291 363 V C -0.541 175.310 176.094 -0.404 0.000 1.020 363 V CA -0.375 61.797 62.300 -0.215 0.000 0.848 363 V CB 1.485 33.244 31.823 -0.107 0.000 0.990 363 V HN 0.404 nan 8.190 nan 0.000 0.430 364 F N 2.394 122.311 119.950 -0.056 0.000 2.546 364 F HA 0.518 5.071 4.527 0.044 0.000 0.320 364 F C 0.337 176.138 175.800 0.001 0.000 1.076 364 F CA -0.943 57.039 58.000 -0.029 0.000 0.928 364 F CB 1.899 40.919 39.000 0.034 0.000 1.189 364 F HN 0.283 nan 8.300 nan 0.000 0.465 365 K N 2.291 122.837 120.400 0.243 0.000 2.383 365 K HA 0.122 4.469 4.320 0.044 0.000 0.286 365 K C 0.917 177.681 176.600 0.273 0.000 1.051 365 K CA -0.256 56.154 56.287 0.205 0.000 0.974 365 K CB 0.662 33.280 32.500 0.197 0.000 0.968 365 K HN 0.703 nan 8.250 nan 0.000 0.475 366 L N 4.520 125.863 121.223 0.201 0.000 2.046 366 L HA -0.216 4.151 4.340 0.044 0.000 0.208 366 L C 2.082 179.120 176.870 0.280 0.000 1.077 366 L CA 2.354 57.330 54.840 0.227 0.000 0.747 366 L CB -0.736 41.420 42.059 0.162 0.000 0.896 366 L HN 0.882 nan 8.230 nan 0.000 0.432 367 S N -2.022 113.815 115.700 0.229 0.000 2.382 367 S HA -0.175 4.322 4.470 0.044 0.000 0.228 367 S C 2.000 176.744 174.600 0.239 0.000 1.027 367 S CA 1.366 59.692 58.200 0.211 0.000 0.991 367 S CB -0.918 62.384 63.200 0.171 0.000 0.823 367 S HN 0.508 nan 8.310 nan 0.000 0.469 368 S N 0.896 116.778 115.700 0.304 0.000 2.355 368 S HA -0.037 4.460 4.470 0.044 0.000 0.222 368 S C 1.555 176.309 174.600 0.256 0.000 1.031 368 S CA 1.172 59.586 58.200 0.357 0.000 0.993 368 S CB -0.725 62.767 63.200 0.488 0.000 0.859 368 S HN 0.665 nan 8.310 nan 0.000 0.453 369 Y N 2.559 122.986 120.300 0.212 0.000 2.128 369 Y HA -0.205 4.372 4.550 0.045 0.000 0.284 369 Y C 2.198 178.103 175.900 0.008 0.000 1.154 369 Y CA 1.329 59.476 58.100 0.078 0.000 1.149 369 Y CB -0.583 37.848 38.460 -0.049 0.000 0.976 369 Y HN 0.024 nan 8.280 nan 0.000 0.505 370 V N 0.524 120.518 119.914 0.133 0.000 2.358 370 V HA -0.275 3.872 4.120 0.044 0.000 0.246 370 V C 2.034 178.107 176.094 -0.035 0.000 1.047 370 V CA 2.120 64.453 62.300 0.053 0.000 1.035 370 V CB -0.660 31.266 31.823 0.173 0.000 0.658 370 V HN 0.406 nan 8.190 nan 0.000 0.452 371 D N -0.105 120.296 120.400 0.001 0.000 2.104 371 D HA -0.151 4.515 4.640 0.044 0.000 0.194 371 D C 2.432 178.646 176.300 -0.144 0.000 0.994 371 D CA 1.079 55.071 54.000 -0.013 0.000 0.830 371 D CB -0.237 40.616 40.800 0.088 0.000 0.959 371 D HN 0.189 nan 8.370 nan 0.000 0.452 372 R N 0.307 120.616 120.500 -0.319 0.000 2.092 372 R HA -0.029 4.338 4.340 0.044 0.000 0.231 372 R C 2.214 178.251 176.300 -0.439 0.000 1.119 372 R CA 0.197 55.989 56.100 -0.513 0.000 0.970 372 R CB -1.145 28.580 30.300 -0.960 0.000 0.864 372 R HN 0.195 nan 8.270 nan 0.000 0.440 373 L N 0.837 121.789 121.223 -0.452 0.000 2.017 373 L HA -0.133 4.234 4.340 0.044 0.000 0.208 373 L C 2.093 178.813 176.870 -0.250 0.000 1.073 373 L CA 1.812 56.423 54.840 -0.382 0.000 0.745 373 L CB -0.247 41.609 42.059 -0.338 0.000 0.894 373 L HN 0.056 nan 8.230 nan 0.000 0.432 374 R N -0.899 119.551 120.500 -0.084 0.000 2.092 374 R HA -0.182 4.185 4.340 0.044 0.000 0.231 374 R C 2.115 178.388 176.300 -0.045 0.000 1.119 374 R CA 1.245 57.385 56.100 0.066 0.000 0.970 374 R CB -0.280 30.088 30.300 0.115 0.000 0.864 374 R HN 0.380 nan 8.270 nan 0.000 0.440 375 E N 0.801 120.915 120.200 -0.143 0.000 2.150 375 E HA -0.121 4.255 4.350 0.044 0.000 0.193 375 E C 1.468 177.875 176.600 -0.322 0.000 0.985 375 E CA 1.739 58.026 56.400 -0.188 0.000 0.814 375 E CB 0.122 29.721 29.700 -0.168 0.000 0.752 375 E HN 0.266 nan 8.360 nan 0.000 0.466 376 S N -1.776 113.708 115.700 -0.360 0.000 2.523 376 S HA 0.102 4.599 4.470 0.044 0.000 0.217 376 S C -0.059 174.271 174.600 -0.450 0.000 0.996 376 S CA 0.127 58.091 58.200 -0.392 0.000 0.921 376 S CB -0.133 62.883 63.200 -0.307 0.000 0.829 376 S HN 0.345 nan 8.310 nan 0.000 0.495 377 H N 0.982 119.611 119.070 -0.735 0.000 2.958 377 H HA -0.128 4.454 4.556 0.044 0.000 0.274 377 H C 1.324 176.117 175.328 -0.892 0.000 1.184 377 H CA 0.604 55.867 56.048 -1.308 0.000 1.143 377 H CB -2.027 27.357 29.762 -0.629 0.000 1.297 377 H HN 1.059 nan 8.280 nan 0.000 0.356 378 G N -0.738 107.781 108.800 -0.469 0.000 2.155 378 G HA2 -0.302 3.685 3.960 0.044 0.000 0.257 378 G HA3 -0.302 3.685 3.960 0.044 0.000 0.257 378 G C 0.201 175.065 174.900 -0.058 0.000 0.983 378 G CA 0.221 45.227 45.100 -0.156 0.000 0.676 378 G HN 0.440 nan 8.290 nan 0.000 0.528 379 I N 1.677 122.174 120.570 -0.122 0.000 2.337 379 I HA 0.416 4.613 4.170 0.044 0.000 0.291 379 I C 1.108 177.199 176.117 -0.043 0.000 1.046 379 I CA -0.857 60.406 61.300 -0.062 0.000 1.324 379 I CB 0.700 38.635 38.000 -0.108 0.000 1.409 379 I HN 0.225 nan 8.210 nan 0.000 0.494 380 V N 5.930 125.866 119.914 0.036 0.000 2.834 380 V HA 0.665 4.812 4.120 0.044 0.000 0.313 380 V C -2.457 173.680 176.094 0.072 0.000 1.060 380 V CA -2.342 59.986 62.300 0.046 0.000 0.989 380 V CB 1.025 32.909 31.823 0.102 0.000 1.041 380 V HN 0.494 nan 8.190 nan 0.000 0.459 381 P HA 0.218 nan 4.420 nan 0.000 0.265 381 P C -0.456 176.930 177.300 0.143 0.000 1.187 381 P CA 0.336 63.493 63.100 0.095 0.000 0.766 381 P CB 0.304 32.062 31.700 0.097 0.000 0.820 382 E N 1.252 121.538 120.200 0.143 0.000 2.259 382 E HA 0.694 5.071 4.350 0.044 0.000 0.257 382 E C -0.517 176.218 176.600 0.224 0.000 0.998 382 E CA -0.601 55.884 56.400 0.142 0.000 0.866 382 E CB 0.921 30.699 29.700 0.129 0.000 1.220 382 E HN 0.458 nan 8.360 nan 0.000 0.415 383 F N -1.012 118.957 119.950 0.032 0.000 2.745 383 F HA 0.683 5.236 4.527 0.044 0.000 0.316 383 F C -1.756 174.059 175.800 0.024 0.000 1.155 383 F CA -1.109 56.904 58.000 0.021 0.000 0.937 383 F CB 1.057 40.060 39.000 0.006 0.000 1.361 383 F HN 0.380 nan 8.300 nan 0.000 0.472 384 I N 1.443 122.113 120.570 0.165 0.000 2.769 384 I HA 0.514 4.711 4.170 0.044 0.000 0.298 384 I C -1.730 174.513 176.117 0.210 0.000 1.128 384 I CA -0.659 60.664 61.300 0.038 0.000 1.031 384 I CB 2.151 40.177 38.000 0.044 0.000 1.235 384 I HN 0.820 nan 8.210 nan 0.000 0.423 385 N N 6.828 125.592 118.700 0.108 0.000 2.725 385 N HA 0.479 5.246 4.740 0.044 0.000 0.248 385 N C -2.808 172.655 175.510 -0.079 0.000 1.402 385 N CA -1.375 51.740 53.050 0.109 0.000 0.766 385 N CB 0.933 39.566 38.487 0.244 0.000 1.223 385 N HN 0.169 nan 8.380 nan 0.000 0.515 386 P HA 0.178 nan 4.420 nan 0.000 0.271 386 P C -0.782 176.189 177.300 -0.548 0.000 1.216 386 P CA -0.019 62.676 63.100 -0.675 0.000 0.776 386 P CB 0.561 31.489 31.700 -1.287 0.000 0.881 387 K N 3.226 123.343 120.400 -0.472 0.000 2.253 387 K HA 0.287 4.633 4.320 0.044 0.000 0.277 387 K C -0.275 176.177 176.600 -0.247 0.000 1.053 387 K CA -0.299 55.854 56.287 -0.223 0.000 0.892 387 K CB 0.241 32.683 32.500 -0.097 0.000 1.102 387 K HN 0.436 nan 8.250 nan 0.000 0.469 388 Y N 0.056 120.372 120.300 0.027 0.000 2.354 388 Y HA 0.043 4.620 4.550 0.044 0.000 0.322 388 Y C 1.948 177.900 175.900 0.088 0.000 1.253 388 Y CA -0.024 58.138 58.100 0.103 0.000 1.272 388 Y CB 1.191 39.716 38.460 0.110 0.000 1.255 388 Y HN 0.549 nan 8.280 nan 0.000 0.500 389 S N 0.061 115.923 115.700 0.270 0.000 2.345 389 S HA -0.090 4.407 4.470 0.044 0.000 0.220 389 S C 0.012 174.696 174.600 0.140 0.000 1.031 389 S CA 1.221 59.520 58.200 0.165 0.000 0.996 389 S CB -0.099 63.184 63.200 0.138 0.000 0.882 389 S HN 0.642 nan 8.310 nan 0.000 0.445 390 D N -0.225 120.263 120.400 0.146 0.000 2.668 390 D HA 0.309 4.976 4.640 0.044 0.000 0.249 390 D C 0.502 176.843 176.300 0.069 0.000 1.150 390 D CA -0.541 53.512 54.000 0.089 0.000 1.090 390 D CB 0.360 41.197 40.800 0.061 0.000 1.244 390 D HN -0.089 nan 8.370 nan 0.000 0.636 391 E N -0.663 119.551 120.200 0.024 0.000 2.476 391 E HA 0.134 4.511 4.350 0.044 0.000 0.196 391 E C 0.094 176.661 176.600 -0.055 0.000 1.029 391 E CA 0.253 56.644 56.400 -0.016 0.000 0.896 391 E CB 0.739 30.436 29.700 -0.004 0.000 1.012 391 E HN 0.321 nan 8.360 nan 0.000 0.475 392 T N -1.107 113.424 114.554 -0.039 0.000 3.507 392 T HA 0.072 4.449 4.350 0.044 0.000 0.280 392 T C 1.607 176.287 174.700 -0.033 0.000 0.976 392 T CA -0.239 61.834 62.100 -0.046 0.000 1.096 392 T CB 0.384 69.239 68.868 -0.022 0.000 1.168 392 T HN -0.017 nan 8.240 nan 0.000 0.463 393 R N 1.310 121.815 120.500 0.008 0.000 2.211 393 R HA -0.040 4.327 4.340 0.044 0.000 0.240 393 R C 0.181 176.516 176.300 0.059 0.000 1.144 393 R CA 1.024 57.142 56.100 0.030 0.000 0.992 393 R CB 0.008 30.335 30.300 0.044 0.000 0.869 393 R HN 0.063 nan 8.270 nan 0.000 0.462 394 R N -0.446 120.105 120.500 0.085 0.000 3.776 394 R HA -0.109 4.258 4.340 0.044 0.000 0.312 394 R C -1.043 175.493 176.300 0.393 0.000 1.181 394 R CA 0.978 57.206 56.100 0.212 0.000 0.836 394 R CB -2.762 27.598 30.300 0.099 0.000 1.324 394 R HN 0.142 nan 8.270 nan 0.000 0.501 395 S N 1.076 116.974 115.700 0.331 0.000 2.541 395 S HA 0.606 5.103 4.470 0.044 0.000 0.283 395 S C 0.182 175.011 174.600 0.382 0.000 1.196 395 S CA -0.631 57.696 58.200 0.212 0.000 1.062 395 S CB 0.832 64.094 63.200 0.103 0.000 1.009 395 S HN 0.101 nan 8.310 nan 0.000 0.502 396 F N 2.634 122.597 119.950 0.021 0.000 2.495 396 F HA 0.268 4.821 4.527 0.045 0.000 0.365 396 F C 1.673 177.456 175.800 -0.028 0.000 1.090 396 F CA -1.115 56.832 58.000 -0.088 0.000 1.235 396 F CB 0.239 39.180 39.000 -0.099 0.000 1.119 396 F HN 0.659 nan 8.300 nan 0.000 0.562 397 K N 1.936 122.417 120.400 0.135 0.000 2.097 397 K HA -0.120 4.227 4.320 0.044 0.000 0.206 397 K C 0.403 177.047 176.600 0.073 0.000 1.049 397 K CA 1.334 57.673 56.287 0.087 0.000 0.933 397 K CB 0.234 32.767 32.500 0.054 0.000 0.717 397 K HN 0.635 nan 8.250 nan 0.000 0.442 398 K N -0.152 120.282 120.400 0.057 0.000 2.536 398 K HA 0.376 4.723 4.320 0.044 0.000 0.269 398 K C -3.163 173.484 176.600 0.078 0.000 0.965 398 K CA -2.151 54.169 56.287 0.055 0.000 0.860 398 K CB 1.535 34.044 32.500 0.015 0.000 1.423 398 K HN -0.344 nan 8.250 nan 0.000 0.438 399 P HA 0.006 nan 4.420 nan 0.000 0.266 399 P C -1.031 176.288 177.300 0.031 0.000 1.195 399 P CA 0.093 63.286 63.100 0.156 0.000 0.768 399 P CB 0.712 32.471 31.700 0.099 0.000 0.838 400 A N 3.306 126.141 122.820 0.026 0.000 2.281 400 A HA 0.846 5.193 4.320 0.044 0.000 0.329 400 A C -0.066 177.492 177.584 -0.044 0.000 1.122 400 A CA -0.318 51.646 52.037 -0.120 0.000 0.850 400 A CB 0.984 19.762 19.000 -0.371 0.000 1.207 400 A HN 0.620 nan 8.150 nan 0.000 0.495 401 R N 0.656 121.112 120.500 -0.073 0.000 2.799 401 R HA 0.536 4.903 4.340 0.044 0.000 0.270 401 R C -1.689 174.583 176.300 -0.046 0.000 1.010 401 R CA -0.682 55.370 56.100 -0.080 0.000 0.916 401 R CB 0.116 30.386 30.300 -0.051 0.000 1.228 401 R HN 0.559 nan 8.270 nan 0.000 0.469 402 I N 1.589 122.174 120.570 0.024 0.000 2.529 402 I HA 0.181 4.377 4.170 0.044 0.000 0.284 402 I C 0.604 176.670 176.117 -0.085 0.000 1.082 402 I CA 0.243 61.532 61.300 -0.019 0.000 1.406 402 I CB 0.645 38.660 38.000 0.026 0.000 1.405 402 I HN 0.464 nan 8.210 nan 0.000 0.548 403 E N 3.675 123.565 120.200 -0.517 0.000 2.378 403 E HA 0.668 5.045 4.350 0.044 0.000 0.265 403 E C -1.187 174.917 176.600 -0.825 0.000 0.932 403 E CA -0.825 55.102 56.400 -0.788 0.000 0.795 403 E CB 2.391 31.537 29.700 -0.923 0.000 1.296 403 E HN 0.677 nan 8.360 nan 0.000 0.438 404 S N 0.311 115.671 115.700 -0.567 0.000 2.550 404 S HA 0.594 5.091 4.470 0.044 0.000 0.270 404 S C -1.275 173.352 174.600 0.046 0.000 1.145 404 S CA -0.920 57.198 58.200 -0.137 0.000 0.852 404 S CB 0.771 63.890 63.200 -0.134 0.000 1.119 404 S HN 0.368 nan 8.310 nan 0.000 0.465 405 L N 2.889 124.227 121.223 0.192 0.000 2.334 405 L HA 0.470 4.836 4.340 0.044 0.000 0.276 405 L C 1.754 178.736 176.870 0.186 0.000 1.014 405 L CA -1.089 53.858 54.840 0.179 0.000 0.815 405 L CB 1.835 44.008 42.059 0.190 0.000 1.268 405 L HN 1.020 nan 8.230 nan 0.000 0.428 406 M N 1.022 120.726 119.600 0.173 0.000 2.159 406 M HA -0.174 4.333 4.480 0.044 0.000 0.263 406 M C 1.702 178.168 176.300 0.276 0.000 1.063 406 M CA 1.569 56.979 55.300 0.183 0.000 1.110 406 M CB -0.475 32.144 32.600 0.032 0.000 1.374 406 M HN 0.735 nan 8.290 nan 0.000 0.411 407 Q N 0.312 120.228 119.800 0.194 0.000 2.369 407 Q HA -0.126 4.241 4.340 0.044 0.000 0.206 407 Q C 0.406 176.544 176.000 0.230 0.000 0.963 407 Q CA 1.393 57.314 55.803 0.196 0.000 0.894 407 Q CB -0.764 28.116 28.738 0.238 0.000 0.965 407 Q HN 0.528 nan 8.270 nan 0.000 0.475 408 D N 1.314 121.839 120.400 0.208 0.000 2.378 408 D HA 0.021 4.688 4.640 0.044 0.000 0.227 408 D C 1.619 178.020 176.300 0.167 0.000 1.012 408 D CA 0.066 54.180 54.000 0.190 0.000 0.905 408 D CB -0.189 40.713 40.800 0.171 0.000 0.895 408 D HN 0.348 nan 8.370 nan 0.000 0.532 409 I N 0.321 120.973 120.570 0.137 0.000 2.530 409 I HA -0.279 3.918 4.170 0.044 0.000 0.257 409 I C 1.914 178.194 176.117 0.273 0.000 1.179 409 I CA 0.582 61.909 61.300 0.046 0.000 1.440 409 I CB 0.205 38.034 38.000 -0.285 0.000 1.087 409 I HN -0.070 nan 8.210 nan 0.000 0.440 410 A N 0.775 123.779 122.820 0.306 0.000 2.019 410 A HA -0.164 4.183 4.320 0.044 0.000 0.219 410 A C 2.113 179.929 177.584 0.386 0.000 1.164 410 A CA 1.256 53.522 52.037 0.382 0.000 0.644 410 A CB -0.780 18.469 19.000 0.414 0.000 0.805 410 A HN 0.547 nan 8.150 nan 0.000 0.449 411 L N -0.632 120.746 121.223 0.259 0.000 2.353 411 L HA -0.092 4.275 4.340 0.044 0.000 0.220 411 L C 1.758 178.715 176.870 0.145 0.000 1.133 411 L CA 0.475 55.430 54.840 0.192 0.000 0.798 411 L CB -0.426 41.719 42.059 0.143 0.000 0.922 411 L HN 0.375 nan 8.230 nan 0.000 0.445 412 L N -1.340 119.950 121.223 0.112 0.000 2.591 412 L HA 0.048 4.414 4.340 0.044 0.000 0.228 412 L C -0.001 176.738 176.870 -0.218 0.000 1.133 412 L CA 0.123 54.900 54.840 -0.105 0.000 0.880 412 L CB -0.103 41.781 42.059 -0.293 0.000 1.033 412 L HN 0.093 nan 8.230 nan 0.000 0.450 413 F N 0.680 120.635 119.950 0.009 0.000 2.293 413 F HA 0.188 4.742 4.527 0.045 0.000 0.370 413 F C 1.068 176.985 175.800 0.196 0.000 1.090 413 F CA -0.902 57.123 58.000 0.042 0.000 1.133 413 F CB 0.856 39.846 39.000 -0.017 0.000 1.360 413 F HN -0.099 nan 8.300 nan 0.000 0.489 414 S N 1.036 116.955 115.700 0.365 0.000 2.572 414 S HA 0.084 4.581 4.470 0.044 0.000 0.279 414 S C 1.059 175.845 174.600 0.311 0.000 1.341 414 S CA -0.645 57.724 58.200 0.282 0.000 1.043 414 S CB 1.086 64.401 63.200 0.192 0.000 0.887 414 S HN 0.733 nan 8.310 nan 0.000 0.516 415 E N 0.849 121.199 120.200 0.249 0.000 2.265 415 E HA -0.152 4.224 4.350 0.044 0.000 0.196 415 E C 0.793 177.492 176.600 0.164 0.000 0.996 415 E CA 1.002 57.534 56.400 0.219 0.000 0.832 415 E CB -0.049 29.783 29.700 0.219 0.000 0.756 415 E HN 0.678 nan 8.360 nan 0.000 0.491 416 D N 0.682 121.164 120.400 0.138 0.000 2.149 416 D HA -0.104 4.563 4.640 0.044 0.000 0.201 416 D C 1.021 177.332 176.300 0.018 0.000 0.972 416 D CA 1.013 55.059 54.000 0.076 0.000 0.835 416 D CB 0.044 40.882 40.800 0.062 0.000 0.966 416 D HN 0.163 nan 8.370 nan 0.000 0.476 417 D N -1.597 118.799 120.400 -0.007 0.000 2.441 417 D HA 0.063 4.729 4.640 0.044 0.000 0.210 417 D C -0.121 175.860 176.300 -0.531 0.000 1.102 417 D CA 0.103 53.938 54.000 -0.274 0.000 0.840 417 D CB 0.878 41.460 40.800 -0.363 0.000 0.990 417 D HN 0.212 nan 8.370 nan 0.000 0.505 418 Y N -0.202 120.197 120.300 0.165 0.000 2.588 418 Y HA 0.445 5.022 4.550 0.045 0.000 0.343 418 Y C -0.053 175.948 175.900 0.169 0.000 1.065 418 Y CA -1.097 57.130 58.100 0.213 0.000 1.038 418 Y CB 1.529 40.222 38.460 0.389 0.000 1.297 418 Y HN -0.492 nan 8.280 nan 0.000 0.467 419 R N 1.306 122.000 120.500 0.324 0.000 2.310 419 R HA 0.710 5.076 4.340 0.044 0.000 0.324 419 R C -1.694 174.697 176.300 0.152 0.000 0.955 419 R CA -0.710 55.511 56.100 0.202 0.000 0.830 419 R CB 1.542 31.939 30.300 0.162 0.000 1.154 419 R HN 0.359 nan 8.270 nan 0.000 0.458 420 V N 2.514 122.504 119.914 0.125 0.000 2.444 420 V HA 0.717 4.864 4.120 0.044 0.000 0.294 420 V C 0.371 176.529 176.094 0.108 0.000 1.022 420 V CA -0.625 61.720 62.300 0.075 0.000 0.850 420 V CB 1.688 33.565 31.823 0.090 0.000 0.992 420 V HN 0.972 nan 8.190 nan 0.000 0.426 421 G N 2.502 111.382 108.800 0.134 0.000 3.022 421 G HA2 0.823 4.810 3.960 0.044 0.000 0.284 421 G HA3 0.823 4.810 3.960 0.044 0.000 0.284 421 G C -0.624 174.386 174.900 0.183 0.000 1.375 421 G CA -0.383 44.802 45.100 0.142 0.000 0.902 421 G HN 1.015 nan 8.290 nan 0.000 0.538 422 G N -1.210 107.657 108.800 0.110 0.000 2.571 422 G HA2 0.563 4.550 3.960 0.044 0.000 0.304 422 G HA3 0.563 4.550 3.960 0.044 0.000 0.304 422 G C -1.083 173.889 174.900 0.120 0.000 1.314 422 G CA -0.332 44.835 45.100 0.112 0.000 0.975 422 G HN 0.563 nan 8.290 nan 0.000 0.485 423 T N 0.945 115.575 114.554 0.127 0.000 2.786 423 T HA 0.459 4.836 4.350 0.044 0.000 0.283 423 T C -0.181 174.481 174.700 -0.064 0.000 0.992 423 T CA -0.299 61.817 62.100 0.026 0.000 0.954 423 T CB 1.613 70.511 68.868 0.050 0.000 0.934 423 T HN 0.344 nan 8.240 nan 0.000 0.440 424 V N 4.990 124.779 119.914 -0.209 0.000 2.383 424 V HA 0.508 4.655 4.120 0.044 0.000 0.275 424 V C -0.528 175.385 176.094 -0.302 0.000 1.036 424 V CA -0.574 61.631 62.300 -0.158 0.000 0.889 424 V CB 0.030 31.765 31.823 -0.145 0.000 0.985 424 V HN 0.741 nan 8.190 nan 0.000 0.459 425 F N 1.416 121.351 119.950 -0.025 0.000 2.557 425 F HA 0.487 5.041 4.527 0.044 0.000 0.336 425 F C 0.886 176.684 175.800 -0.003 0.000 1.058 425 F CA -1.053 56.949 58.000 0.003 0.000 0.988 425 F CB 0.969 39.986 39.000 0.028 0.000 1.275 425 F HN 0.407 nan 8.300 nan 0.000 0.488 426 E N 0.540 120.891 120.200 0.251 0.000 2.413 426 E HA 0.050 4.427 4.350 0.044 0.000 0.263 426 E C 0.753 177.476 176.600 0.206 0.000 1.015 426 E CA 0.027 56.541 56.400 0.191 0.000 0.916 426 E CB 0.605 30.451 29.700 0.245 0.000 0.947 426 E HN 0.487 nan 8.360 nan 0.000 0.440 427 R N 1.756 122.347 120.500 0.152 0.000 2.127 427 R HA -0.191 4.176 4.340 0.044 0.000 0.238 427 R C 1.972 178.440 176.300 0.280 0.000 1.134 427 R CA 1.150 57.362 56.100 0.186 0.000 0.975 427 R CB -0.304 30.087 30.300 0.152 0.000 0.865 427 R HN 0.584 nan 8.270 nan 0.000 0.447 428 F N 1.892 121.932 119.950 0.150 0.000 2.250 428 F HA -0.220 4.332 4.527 0.041 0.000 0.301 428 F C 2.213 178.093 175.800 0.135 0.000 1.077 428 F CA 1.632 59.713 58.000 0.135 0.000 1.348 428 F CB -0.153 38.913 39.000 0.109 0.000 1.040 428 F HN -0.022 nan 8.300 nan 0.000 0.509 429 S N -1.400 114.371 115.700 0.118 0.000 2.555 429 S HA -0.149 4.348 4.470 0.044 0.000 0.230 429 S C 0.453 175.051 174.600 -0.003 0.000 0.978 429 S CA -0.065 58.137 58.200 0.004 0.000 0.934 429 S CB -1.014 62.230 63.200 0.074 0.000 0.766 429 S HN 0.398 nan 8.310 nan 0.000 0.533 430 Y N 2.829 123.077 120.300 -0.087 0.000 2.434 430 Y HA 0.491 5.069 4.550 0.047 0.000 0.341 430 Y C 0.060 175.929 175.900 -0.052 0.000 0.965 430 Y CA -1.175 56.880 58.100 -0.076 0.000 1.205 430 Y CB 0.490 38.921 38.460 -0.048 0.000 1.121 430 Y HN 0.204 nan 8.280 nan 0.000 0.507 431 Q N 7.941 127.534 119.800 -0.344 0.000 2.318 431 Q HA 0.255 4.622 4.340 0.044 0.000 0.371 431 Q C -2.596 173.235 176.000 -0.281 0.000 0.896 431 Q CA -1.926 53.712 55.803 -0.275 0.000 1.134 431 Q CB 0.855 29.472 28.738 -0.202 0.000 1.329 431 Q HN 0.502 nan 8.270 nan 0.000 0.413 432 P HA 0.036 nan 4.420 nan 0.000 0.271 432 P C -0.242 176.946 177.300 -0.186 0.000 1.218 432 P CA -0.064 62.809 63.100 -0.377 0.000 0.780 432 P CB 1.509 32.879 31.700 -0.550 0.000 0.901 433 V N 4.350 124.164 119.914 -0.168 0.000 2.294 433 V HA 0.202 4.348 4.120 0.044 0.000 0.272 433 V C 1.247 177.287 176.094 -0.090 0.000 1.027 433 V CA 0.127 62.367 62.300 -0.100 0.000 0.823 433 V CB 0.381 32.133 31.823 -0.118 0.000 1.030 433 V HN 0.734 nan 8.190 nan 0.000 0.457 434 K N 1.997 122.382 120.400 -0.026 0.000 2.590 434 K HA 0.322 4.669 4.320 0.044 0.000 0.218 434 K C 0.109 176.729 176.600 0.034 0.000 1.536 434 K CA -0.476 55.807 56.287 -0.006 0.000 1.013 434 K CB 0.702 33.191 32.500 -0.018 0.000 1.265 434 K HN 0.464 nan 8.250 nan 0.000 0.603 435 N N 2.082 120.815 118.700 0.056 0.000 2.384 435 N HA 0.171 4.938 4.740 0.044 0.000 0.301 435 N C -0.636 174.909 175.510 0.059 0.000 1.133 435 N CA -0.314 52.775 53.050 0.065 0.000 0.853 435 N CB 1.989 40.526 38.487 0.084 0.000 1.241 435 N HN 0.286 nan 8.380 nan 0.000 0.502 436 S N 0.347 116.083 115.700 0.059 0.000 2.614 436 S HA 0.162 4.659 4.470 0.044 0.000 0.265 436 S C 1.444 176.090 174.600 0.077 0.000 1.303 436 S CA -0.528 57.706 58.200 0.057 0.000 1.000 436 S CB 0.631 63.862 63.200 0.051 0.000 0.935 436 S HN 0.364 nan 8.310 nan 0.000 0.551 437 L N 1.229 122.494 121.223 0.070 0.000 2.013 437 L HA -0.090 4.277 4.340 0.044 0.000 0.212 437 L C 2.745 179.682 176.870 0.112 0.000 1.073 437 L CA 1.896 56.794 54.840 0.096 0.000 0.753 437 L CB -1.437 40.643 42.059 0.035 0.000 0.890 437 L HN 0.904 nan 8.230 nan 0.000 0.432 438 E N -0.776 119.469 120.200 0.074 0.000 2.058 438 E HA -0.255 4.122 4.350 0.044 0.000 0.194 438 E C 2.043 178.692 176.600 0.082 0.000 0.997 438 E CA 1.561 58.003 56.400 0.071 0.000 0.801 438 E CB 0.003 29.733 29.700 0.050 0.000 0.746 438 E HN 0.587 nan 8.360 nan 0.000 0.450 439 E N 0.276 120.521 120.200 0.075 0.000 2.051 439 E HA -0.203 4.173 4.350 0.044 0.000 0.192 439 E C 2.039 178.684 176.600 0.074 0.000 0.991 439 E CA 0.964 57.405 56.400 0.068 0.000 0.799 439 E CB -0.146 29.591 29.700 0.063 0.000 0.748 439 E HN 0.225 nan 8.360 nan 0.000 0.449 440 A N 1.571 124.450 122.820 0.099 0.000 1.908 440 A HA -0.211 4.136 4.320 0.044 0.000 0.218 440 A C 2.416 180.064 177.584 0.106 0.000 1.181 440 A CA 1.912 53.996 52.037 0.078 0.000 0.627 440 A CB -0.836 18.257 19.000 0.155 0.000 0.818 440 A HN 0.313 nan 8.150 nan 0.000 0.445 441 A N -0.512 122.447 122.820 0.232 0.000 1.873 441 A HA 0.039 4.385 4.320 0.044 0.000 0.218 441 A C 2.488 180.141 177.584 0.114 0.000 1.193 441 A CA 2.226 54.403 52.037 0.234 0.000 0.629 441 A CB -1.554 17.555 19.000 0.182 0.000 0.826 441 A HN 0.827 nan 8.150 nan 0.000 0.447 442 G N -0.421 108.427 108.800 0.079 0.000 2.440 442 G HA2 -0.176 3.811 3.960 0.044 0.000 0.218 442 G HA3 -0.176 3.811 3.960 0.044 0.000 0.218 442 G C 1.592 176.508 174.900 0.027 0.000 1.154 442 G CA 1.075 46.205 45.100 0.050 0.000 0.767 442 G HN 0.431 nan 8.290 nan 0.000 0.552 443 L N 0.124 121.354 121.223 0.012 0.000 2.017 443 L HA -0.111 4.256 4.340 0.044 0.000 0.208 443 L C 3.052 179.893 176.870 -0.049 0.000 1.073 443 L CA 0.673 55.502 54.840 -0.017 0.000 0.745 443 L CB -0.548 41.495 42.059 -0.027 0.000 0.894 443 L HN 0.099 nan 8.230 nan 0.000 0.432 444 V N 0.155 120.017 119.914 -0.087 0.000 2.332 444 V HA -0.336 3.811 4.120 0.044 0.000 0.248 444 V C 2.733 178.809 176.094 -0.031 0.000 1.055 444 V CA 1.827 64.061 62.300 -0.111 0.000 1.038 444 V CB -1.022 30.694 31.823 -0.178 0.000 0.651 444 V HN 0.521 nan 8.190 nan 0.000 0.450 445 A N -0.810 122.015 122.820 0.008 0.000 2.076 445 A HA -0.267 4.080 4.320 0.044 0.000 0.220 445 A C 2.023 179.612 177.584 0.009 0.000 1.160 445 A CA 1.791 53.841 52.037 0.021 0.000 0.653 445 A CB -0.393 18.628 19.000 0.035 0.000 0.801 445 A HN 0.700 nan 8.150 nan 0.000 0.455 446 Q N -1.757 118.042 119.800 -0.001 0.000 2.247 446 Q HA 0.340 4.707 4.340 0.044 0.000 0.204 446 Q C 0.898 176.893 176.000 -0.008 0.000 0.872 446 Q CA 0.237 56.039 55.803 -0.001 0.000 0.951 446 Q CB 0.382 29.120 28.738 -0.000 0.000 1.099 446 Q HN 0.806 nan 8.270 nan 0.000 0.501 447 G N 1.494 110.283 108.800 -0.017 0.000 2.147 447 G HA2 -0.227 3.760 3.960 0.044 0.000 0.244 447 G HA3 -0.227 3.760 3.960 0.044 0.000 0.244 447 G C -0.215 174.669 174.900 -0.026 0.000 1.005 447 G CA -0.073 45.015 45.100 -0.021 0.000 0.713 447 G HN 0.294 nan 8.290 nan 0.000 0.515 448 N N 0.172 118.848 118.700 -0.040 0.000 2.472 448 N HA 0.554 5.321 4.740 0.044 0.000 0.289 448 N C 0.760 176.195 175.510 -0.124 0.000 1.156 448 N CA 0.198 53.225 53.050 -0.039 0.000 0.940 448 N CB 1.294 39.776 38.487 -0.008 0.000 1.200 448 N HN 0.352 nan 8.380 nan 0.000 0.511 449 G N -0.501 108.201 108.800 -0.165 0.000 2.432 449 G HA2 0.302 4.288 3.960 0.044 0.000 0.239 449 G HA3 0.302 4.288 3.960 0.044 0.000 0.239 449 G C 0.878 175.461 174.900 -0.528 0.000 1.291 449 G CA -0.088 44.702 45.100 -0.516 0.000 0.863 449 G HN 0.615 nan 8.290 nan 0.000 0.560 450 A N 2.591 125.057 122.820 -0.591 0.000 1.897 450 A HA 0.147 4.493 4.320 0.044 0.000 0.215 450 A C 1.069 178.541 177.584 -0.186 0.000 1.181 450 A CA 0.992 52.797 52.037 -0.388 0.000 0.620 450 A CB -0.605 18.059 19.000 -0.560 0.000 0.821 450 A HN 1.102 nan 8.150 nan 0.000 0.443 451 Y N -1.521 118.717 120.300 -0.102 0.000 3.054 451 Y HA -0.264 4.315 4.550 0.048 0.000 0.210 451 Y C 1.007 176.867 175.900 -0.067 0.000 1.212 451 Y CA -0.306 57.731 58.100 -0.106 0.000 1.118 451 Y CB -2.928 35.460 38.460 -0.119 0.000 1.292 451 Y HN 0.706 nan 8.280 nan 0.000 0.533 452 C N -3.768 115.570 119.300 0.064 0.000 2.656 452 C HA 0.920 5.407 4.460 0.044 0.000 0.404 452 C C 1.964 176.982 174.990 0.046 0.000 1.423 452 C CA -0.376 58.684 59.018 0.069 0.000 1.784 452 C CB 1.235 29.048 27.740 0.121 0.000 2.093 452 C HN 0.602 nan 8.230 nan 0.000 0.492 453 A N 0.105 122.934 122.820 0.015 0.000 1.969 453 A HA 0.237 4.584 4.320 0.044 0.000 0.218 453 A C 2.251 179.841 177.584 0.009 0.000 1.169 453 A CA 2.155 54.173 52.037 -0.031 0.000 0.635 453 A CB -1.266 17.671 19.000 -0.105 0.000 0.810 453 A HN 1.545 nan 8.150 nan 0.000 0.445 454 A N -0.131 122.740 122.820 0.085 0.000 1.898 454 A HA -0.093 4.253 4.320 0.044 0.000 0.216 454 A C 2.425 180.163 177.584 0.256 0.000 1.181 454 A CA 2.431 54.622 52.037 0.258 0.000 0.620 454 A CB -1.228 17.976 19.000 0.340 0.000 0.819 454 A HN 0.725 nan 8.150 nan 0.000 0.442 455 T N -3.253 111.411 114.554 0.182 0.000 3.014 455 T HA 0.148 4.524 4.350 0.044 0.000 0.263 455 T C 1.857 176.584 174.700 0.044 0.000 1.078 455 T CA 1.269 63.433 62.100 0.108 0.000 1.135 455 T CB -0.512 68.359 68.868 0.006 0.000 0.895 455 T HN 0.359 nan 8.240 nan 0.000 0.480 456 G N 1.389 110.204 108.800 0.025 0.000 2.404 456 G HA2 -0.188 3.799 3.960 0.044 0.000 0.215 456 G HA3 -0.188 3.799 3.960 0.044 0.000 0.215 456 G C 1.439 176.305 174.900 -0.058 0.000 1.174 456 G CA 0.881 45.972 45.100 -0.016 0.000 0.780 456 G HN 0.651 nan 8.290 nan 0.000 0.537 457 E N 0.446 120.609 120.200 -0.061 0.000 2.072 457 E HA 0.028 4.405 4.350 0.044 0.000 0.191 457 E C 2.720 179.176 176.600 -0.239 0.000 0.985 457 E CA 1.006 57.288 56.400 -0.196 0.000 0.801 457 E CB -0.267 29.394 29.700 -0.064 0.000 0.750 457 E HN 0.309 nan 8.360 nan 0.000 0.452 458 A N 1.097 123.917 122.820 0.001 0.000 1.933 458 A HA -0.061 4.285 4.320 0.044 0.000 0.218 458 A C 2.376 180.014 177.584 0.089 0.000 1.175 458 A CA 1.683 53.769 52.037 0.083 0.000 0.628 458 A CB -0.714 18.363 19.000 0.129 0.000 0.814 458 A HN 0.421 nan 8.150 nan 0.000 0.444 459 A N -1.437 121.417 122.820 0.057 0.000 1.969 459 A HA 0.025 4.371 4.320 0.044 0.000 0.218 459 A C 1.993 179.586 177.584 0.014 0.000 1.169 459 A CA 1.381 53.456 52.037 0.062 0.000 0.635 459 A CB -0.640 18.279 19.000 -0.135 0.000 0.810 459 A HN 0.623 nan 8.150 nan 0.000 0.445 460 F N -0.425 119.397 119.950 -0.213 0.000 2.102 460 F HA -0.182 4.370 4.527 0.041 0.000 0.298 460 F C 2.097 177.834 175.800 -0.105 0.000 1.105 460 F CA 1.728 59.581 58.000 -0.245 0.000 1.239 460 F CB -0.319 38.422 39.000 -0.432 0.000 0.991 460 F HN 0.305 nan 8.300 nan 0.000 0.474 461 Y N 0.456 120.805 120.300 0.081 0.000 2.181 461 Y HA -0.184 4.389 4.550 0.038 0.000 0.288 461 Y C 2.504 178.339 175.900 -0.108 0.000 1.146 461 Y CA 1.517 59.590 58.100 -0.045 0.000 1.164 461 Y CB -1.322 37.102 38.460 -0.060 0.000 0.982 461 Y HN 0.190 nan 8.280 nan 0.000 0.515 462 E N 0.491 120.778 120.200 0.146 0.000 2.106 462 E HA -0.159 4.217 4.350 0.044 0.000 0.192 462 E C 2.076 178.763 176.600 0.144 0.000 0.984 462 E CA 0.806 57.280 56.400 0.123 0.000 0.806 462 E CB -0.585 29.249 29.700 0.224 0.000 0.750 462 E HN 0.331 nan 8.360 nan 0.000 0.458 463 L N 0.624 121.992 121.223 0.242 0.000 2.012 463 L HA -0.215 4.152 4.340 0.044 0.000 0.210 463 L C 2.003 178.857 176.870 -0.026 0.000 1.073 463 L CA 1.918 56.878 54.840 0.200 0.000 0.748 463 L CB -0.756 41.313 42.059 0.017 0.000 0.891 463 L HN 0.123 nan 8.230 nan 0.000 0.431 464 Q N 0.119 119.810 119.800 -0.180 0.000 2.096 464 Q HA -0.216 4.150 4.340 0.044 0.000 0.204 464 Q C 2.358 178.310 176.000 -0.080 0.000 0.982 464 Q CA 1.947 57.659 55.803 -0.151 0.000 0.850 464 Q CB -0.583 28.055 28.738 -0.167 0.000 0.901 464 Q HN 0.600 nan 8.270 nan 0.000 0.422 465 R N 0.381 120.832 120.500 -0.082 0.000 2.081 465 R HA -0.028 4.339 4.340 0.044 0.000 0.235 465 R C 2.452 178.729 176.300 -0.039 0.000 1.131 465 R CA 1.042 57.092 56.100 -0.083 0.000 0.960 465 R CB -0.207 30.005 30.300 -0.147 0.000 0.856 465 R HN 0.237 nan 8.270 nan 0.000 0.436 466 R N 0.135 120.618 120.500 -0.030 0.000 2.096 466 R HA -0.025 4.342 4.340 0.044 0.000 0.235 466 R C 2.347 178.654 176.300 0.012 0.000 1.127 466 R CA 0.928 57.002 56.100 -0.043 0.000 0.968 466 R CB -0.118 30.129 30.300 -0.088 0.000 0.861 466 R HN 0.113 nan 8.270 nan 0.000 0.440 467 R N 0.808 121.322 120.500 0.023 0.000 2.075 467 R HA -0.053 4.314 4.340 0.044 0.000 0.232 467 R C 2.332 178.635 176.300 0.005 0.000 1.126 467 R CA 1.097 57.218 56.100 0.036 0.000 0.963 467 R CB -0.650 29.671 30.300 0.035 0.000 0.858 467 R HN 0.275 nan 8.270 nan 0.000 0.435 468 L N 0.774 121.974 121.223 -0.038 0.000 2.093 468 L HA -0.128 4.239 4.340 0.044 0.000 0.208 468 L C 2.423 179.221 176.870 -0.119 0.000 1.085 468 L CA 1.316 56.097 54.840 -0.099 0.000 0.755 468 L CB -0.322 41.629 42.059 -0.180 0.000 0.904 468 L HN 0.126 nan 8.230 nan 0.000 0.435 469 K N 0.093 120.435 120.400 -0.098 0.000 2.147 469 K HA -0.137 4.210 4.320 0.044 0.000 0.205 469 K C 2.186 178.748 176.600 -0.062 0.000 1.049 469 K CA 1.248 57.472 56.287 -0.106 0.000 0.936 469 K CB -0.236 32.198 32.500 -0.111 0.000 0.722 469 K HN 0.279 nan 8.250 nan 0.000 0.446 470 A N 1.802 124.613 122.820 -0.015 0.000 2.019 470 A HA -0.133 4.214 4.320 0.044 0.000 0.219 470 A C 1.991 179.576 177.584 0.002 0.000 1.164 470 A CA 1.328 53.375 52.037 0.017 0.000 0.644 470 A CB -0.689 18.343 19.000 0.053 0.000 0.805 470 A HN 0.496 nan 8.150 nan 0.000 0.449 471 I N -5.284 115.279 120.570 -0.011 0.000 3.875 471 I HA 0.531 4.728 4.170 0.044 0.000 0.329 471 I C 1.061 177.162 176.117 -0.027 0.000 1.295 471 I CA 0.607 61.905 61.300 -0.004 0.000 1.129 471 I CB 0.117 38.132 38.000 0.024 0.000 1.008 471 I HN 0.290 nan 8.210 nan 0.000 0.413 472 G N 1.516 110.282 108.800 -0.057 0.000 2.163 472 G HA2 -0.221 3.766 3.960 0.044 0.000 0.213 472 G HA3 -0.221 3.766 3.960 0.044 0.000 0.213 472 G C -0.186 174.641 174.900 -0.121 0.000 0.991 472 G CA -0.102 44.956 45.100 -0.071 0.000 0.653 472 G HN 0.310 nan 8.290 nan 0.000 0.518 473 L N 2.701 123.817 121.223 -0.178 0.000 2.477 473 L HA 0.490 4.856 4.340 0.044 0.000 0.272 473 L C -1.677 175.053 176.870 -0.234 0.000 1.157 473 L CA -1.637 53.046 54.840 -0.262 0.000 0.889 473 L CB 0.391 42.214 42.059 -0.394 0.000 1.158 473 L HN -0.012 nan 8.230 nan 0.000 0.473 474 P HA 0.202 nan 4.420 nan 0.000 0.251 474 P C -1.029 176.111 177.300 -0.267 0.000 1.718 474 P CA -0.030 62.930 63.100 -0.233 0.000 1.119 474 P CB 0.025 31.724 31.700 -0.001 0.000 1.762 475 L N 4.061 125.067 121.223 -0.362 0.000 2.257 475 L HA 0.447 4.814 4.340 0.044 0.000 0.290 475 L C -0.109 176.551 176.870 -0.351 0.000 1.044 475 L CA -0.615 54.119 54.840 -0.177 0.000 0.810 475 L CB 0.363 42.422 42.059 0.000 0.000 1.193 475 L HN 0.158 nan 8.230 nan 0.000 0.425 476 F N 4.003 123.983 119.950 0.050 0.000 2.444 476 F HA 0.553 5.106 4.527 0.042 0.000 0.342 476 F C -0.171 175.657 175.800 0.047 0.000 1.121 476 F CA -0.691 57.284 58.000 -0.043 0.000 0.997 476 F CB 1.225 40.198 39.000 -0.044 0.000 1.130 476 F HN 0.290 nan 8.300 nan 0.000 0.454 477 Y N -0.334 119.998 120.300 0.054 0.000 2.592 477 Y HA 0.559 5.133 4.550 0.041 0.000 0.334 477 Y C -0.603 175.290 175.900 -0.013 0.000 1.136 477 Y CA -1.625 56.463 58.100 -0.020 0.000 1.042 477 Y CB 0.717 39.140 38.460 -0.063 0.000 1.325 477 Y HN 0.417 nan 8.280 nan 0.000 0.457 478 S N 0.663 116.438 115.700 0.125 0.000 2.579 478 S HA 0.226 4.723 4.470 0.044 0.000 0.275 478 S C 0.964 175.636 174.600 0.119 0.000 1.345 478 S CA 0.164 58.406 58.200 0.070 0.000 1.031 478 S CB 0.386 63.627 63.200 0.067 0.000 0.892 478 S HN 1.094 nan 8.310 nan 0.000 0.529 479 S N 2.871 118.602 115.700 0.051 0.000 2.556 479 S HA 0.187 4.683 4.470 0.044 0.000 0.216 479 S C 0.395 175.040 174.600 0.076 0.000 0.970 479 S CA -0.402 57.839 58.200 0.069 0.000 0.912 479 S CB -0.043 63.164 63.200 0.011 0.000 0.790 479 S HN 0.729 nan 8.310 nan 0.000 0.504 480 Q N 2.767 122.610 119.800 0.072 0.000 2.392 480 Q HA 0.336 4.703 4.340 0.044 0.000 0.262 480 Q C -2.548 173.502 176.000 0.083 0.000 1.003 480 Q CA -1.621 54.224 55.803 0.070 0.000 0.888 480 Q CB -0.105 28.671 28.738 0.062 0.000 1.260 480 Q HN 0.247 nan 8.270 nan 0.000 0.435 481 P HA 0.066 nan 4.420 nan 0.000 0.272 481 P C -0.172 177.172 177.300 0.073 0.000 1.223 481 P CA 0.095 63.242 63.100 0.078 0.000 0.784 481 P CB 0.638 32.386 31.700 0.079 0.000 0.923 482 E N -0.226 120.013 120.200 0.065 0.000 2.447 482 E HA 0.197 4.574 4.350 0.044 0.000 0.204 482 E C 0.010 176.639 176.600 0.049 0.000 0.977 482 E CA 0.054 56.501 56.400 0.078 0.000 0.950 482 E CB 0.841 30.618 29.700 0.129 0.000 0.975 482 E HN 0.126 nan 8.360 nan 0.000 0.496 483 V N 0.864 120.785 119.914 0.012 0.000 3.087 483 V HA 0.378 4.524 4.120 0.044 0.000 0.306 483 V C -1.291 174.807 176.094 0.006 0.000 1.187 483 V CA -0.563 61.743 62.300 0.010 0.000 0.999 483 V CB 2.257 34.063 31.823 -0.029 0.000 1.049 483 V HN 0.187 nan 8.190 nan 0.000 0.431 484 T N 2.804 117.360 114.554 0.003 0.000 2.856 484 T HA 0.839 5.216 4.350 0.044 0.000 0.283 484 T C -0.462 174.179 174.700 -0.097 0.000 1.008 484 T CA -0.090 61.979 62.100 -0.051 0.000 0.997 484 T CB 1.460 70.310 68.868 -0.030 0.000 0.992 484 T HN 1.621 nan 8.240 nan 0.000 0.454 485 V N -0.739 119.014 119.914 -0.269 0.000 3.155 485 V HA 0.926 5.073 4.120 0.044 0.000 0.313 485 V C 0.611 176.484 176.094 -0.369 0.000 1.162 485 V CA -0.863 61.266 62.300 -0.285 0.000 1.048 485 V CB 0.635 32.291 31.823 -0.279 0.000 1.092 485 V HN 2.365 nan 8.190 nan 0.000 0.447 486 A N 1.030 123.715 122.820 -0.224 0.000 2.734 486 A HA -0.106 4.241 4.320 0.044 0.000 0.296 486 A C 0.647 178.187 177.584 -0.072 0.000 1.474 486 A CA 0.974 52.932 52.037 -0.130 0.000 0.735 486 A CB -2.174 16.751 19.000 -0.125 0.000 1.062 486 A HN 1.667 nan 8.150 nan 0.000 0.463 487 K N -0.555 119.814 120.400 -0.053 0.000 3.244 487 K HA -0.208 4.139 4.320 0.044 0.000 0.270 487 K C 0.051 176.639 176.600 -0.021 0.000 1.016 487 K CA 1.204 57.478 56.287 -0.022 0.000 0.754 487 K CB -1.863 30.637 32.500 -0.001 0.000 1.326 487 K HN 1.276 nan 8.250 nan 0.000 0.465 488 D N -2.781 117.593 120.400 -0.043 0.000 2.911 488 D HA -0.265 4.402 4.640 0.044 0.000 0.227 488 D C 1.107 177.403 176.300 -0.007 0.000 1.164 488 D CA 1.370 55.353 54.000 -0.028 0.000 0.782 488 D CB -1.058 39.742 40.800 0.001 0.000 1.094 488 D HN 0.619 nan 8.370 nan 0.000 0.425 489 A N -0.608 122.197 122.820 -0.025 0.000 1.854 489 A HA 0.278 4.625 4.320 0.044 0.000 0.214 489 A C 0.876 178.579 177.584 0.199 0.000 1.192 489 A CA 1.593 53.683 52.037 0.088 0.000 0.611 489 A CB -0.018 19.075 19.000 0.154 0.000 0.832 489 A HN 0.408 nan 8.150 nan 0.000 0.442 490 F N -4.187 115.784 119.950 0.034 0.000 2.685 490 F HA 0.743 5.318 4.527 0.080 0.000 0.315 490 F C -0.099 175.729 175.800 0.047 0.000 1.126 490 F CA -0.932 57.089 58.000 0.034 0.000 0.950 490 F CB 0.766 39.781 39.000 0.025 0.000 1.360 490 F HN 0.183 nan 8.300 nan 0.000 0.469 491 G N 0.007 108.949 108.800 0.236 0.000 2.511 491 G HA2 0.726 4.712 3.960 0.044 0.000 0.318 491 G HA3 0.726 4.712 3.960 0.044 0.000 0.318 491 G C -1.550 173.483 174.900 0.222 0.000 1.210 491 G CA -0.671 44.506 45.100 0.127 0.000 0.969 491 G HN 1.501 nan 8.290 nan 0.000 0.484 492 V N -1.587 118.405 119.914 0.131 0.000 3.078 492 V HA 0.937 5.084 4.120 0.044 0.000 0.311 492 V C -0.516 175.603 176.094 0.041 0.000 1.138 492 V CA -1.348 61.025 62.300 0.122 0.000 1.007 492 V CB 1.837 33.751 31.823 0.151 0.000 1.045 492 V HN 1.206 nan 8.190 nan 0.000 0.432 493 R N 1.858 122.390 120.500 0.053 0.000 2.832 493 R HA 0.794 5.161 4.340 0.044 0.000 0.271 493 R C -0.812 175.489 176.300 0.001 0.000 0.996 493 R CA -0.893 55.227 56.100 0.034 0.000 0.977 493 R CB 2.112 32.462 30.300 0.083 0.000 1.168 493 R HN 0.698 nan 8.270 nan 0.000 0.482 494 L N -0.114 121.070 121.223 -0.065 0.000 2.624 494 L HA 0.380 4.746 4.340 0.044 0.000 0.222 494 L C -0.100 176.513 176.870 -0.428 0.000 1.046 494 L CA -0.169 54.542 54.840 -0.215 0.000 0.872 494 L CB 0.274 42.028 42.059 -0.510 0.000 1.190 494 L HN 0.455 nan 8.230 nan 0.000 0.487 495 F N 1.704 121.556 119.950 -0.163 0.000 2.377 495 F HA 0.369 4.913 4.527 0.027 0.000 0.328 495 F C -1.960 173.645 175.800 -0.325 0.000 1.094 495 F CA -2.503 55.358 58.000 -0.232 0.000 1.093 495 F CB 0.179 39.102 39.000 -0.128 0.000 1.214 495 F HN -0.239 nan 8.300 nan 0.000 0.518 496 P HA 0.229 nan 4.420 nan 0.000 0.279 496 P C -0.593 176.543 177.300 -0.274 0.000 1.239 496 P CA 0.008 63.045 63.100 -0.105 0.000 0.789 496 P CB 1.085 32.685 31.700 -0.167 0.000 0.933 497 I N 4.263 124.647 120.570 -0.310 0.000 2.325 497 I HA 0.298 4.495 4.170 0.044 0.000 0.291 497 I C 0.444 176.403 176.117 -0.264 0.000 1.019 497 I CA -0.280 60.706 61.300 -0.524 0.000 1.302 497 I CB 0.285 37.827 38.000 -0.762 0.000 1.401 497 I HN 0.134 nan 8.210 nan 0.000 0.485 498 I N 7.393 127.877 120.570 -0.145 0.000 2.468 498 I HA 0.340 4.537 4.170 0.044 0.000 0.284 498 I C -0.961 175.195 176.117 0.065 0.000 1.038 498 I CA -0.605 60.667 61.300 -0.046 0.000 1.083 498 I CB 1.922 39.888 38.000 -0.055 0.000 1.223 498 I HN 0.141 nan 8.210 nan 0.000 0.443 499 V N 7.252 127.224 119.914 0.096 0.000 2.409 499 V HA 0.456 4.602 4.120 0.044 0.000 0.290 499 V C -0.190 175.987 176.094 0.139 0.000 1.017 499 V CA -0.450 61.961 62.300 0.185 0.000 0.841 499 V CB 1.894 33.864 31.823 0.245 0.000 1.003 499 V HN 0.480 nan 8.190 nan 0.000 0.426 500 L N 4.704 126.015 121.223 0.147 0.000 2.307 500 L HA 0.605 4.972 4.340 0.044 0.000 0.284 500 L C 0.166 177.107 176.870 0.118 0.000 1.023 500 L CA -0.700 54.206 54.840 0.109 0.000 0.810 500 L CB 1.675 43.795 42.059 0.101 0.000 1.231 500 L HN 0.704 nan 8.230 nan 0.000 0.423 501 D N 0.207 120.656 120.400 0.083 0.000 2.433 501 D HA 0.036 4.702 4.640 0.044 0.000 0.255 501 D C 1.071 177.409 176.300 0.064 0.000 1.226 501 D CA -0.118 53.929 54.000 0.078 0.000 1.015 501 D CB 0.831 41.664 40.800 0.054 0.000 1.091 501 D HN 0.652 nan 8.370 nan 0.000 0.527 502 T N -2.414 112.171 114.554 0.051 0.000 2.995 502 T HA -0.056 4.321 4.350 0.044 0.000 0.269 502 T C 1.875 176.586 174.700 0.019 0.000 1.091 502 T CA 0.883 63.009 62.100 0.043 0.000 1.128 502 T CB -0.562 68.321 68.868 0.025 0.000 0.891 502 T HN 0.232 nan 8.240 nan 0.000 0.492 503 V N 0.775 120.695 119.914 0.010 0.000 2.453 503 V HA -0.103 4.043 4.120 0.044 0.000 0.247 503 V C 3.031 179.123 176.094 -0.003 0.000 1.048 503 V CA 1.274 63.573 62.300 -0.001 0.000 1.049 503 V CB -0.833 30.989 31.823 -0.001 0.000 0.672 503 V HN 0.782 nan 8.190 nan 0.000 0.457 504 C N 0.645 119.945 119.300 -0.000 0.000 2.489 504 C HA 0.071 4.558 4.460 0.044 0.000 0.279 504 C C 2.771 177.751 174.990 -0.016 0.000 1.266 504 C CA 1.040 60.046 59.018 -0.021 0.000 1.707 504 C CB -0.900 26.826 27.740 -0.023 0.000 2.059 504 C HN 0.523 nan 8.230 nan 0.000 0.481 505 A N -1.028 121.804 122.820 0.019 0.000 2.308 505 A HA 0.393 4.740 4.320 0.044 0.000 0.217 505 A C 1.285 178.902 177.584 0.054 0.000 1.216 505 A CA 1.546 53.609 52.037 0.043 0.000 0.864 505 A CB -0.443 18.605 19.000 0.080 0.000 0.902 505 A HN 1.057 nan 8.150 nan 0.000 0.499 506 S N -0.674 115.049 115.700 0.038 0.000 4.059 506 S HA -0.331 4.166 4.470 0.044 0.000 0.624 506 S C 1.725 176.365 174.600 0.066 0.000 2.019 506 S CA 3.004 61.220 58.200 0.027 0.000 4.197 506 S CB -1.698 61.511 63.200 0.015 0.000 0.215 506 S HN 1.837 nan 8.310 nan 0.000 0.609 507 S N 1.286 117.028 115.700 0.071 0.000 2.522 507 S HA 0.363 4.860 4.470 0.044 0.000 0.227 507 S C 1.980 176.753 174.600 0.288 0.000 0.986 507 S CA 1.255 59.551 58.200 0.160 0.000 0.929 507 S CB -0.213 63.051 63.200 0.106 0.000 0.769 507 S HN 2.501 nan 8.310 nan 0.000 0.529 508 G N 1.378 110.286 108.800 0.180 0.000 2.179 508 G HA2 -0.314 3.673 3.960 0.044 0.000 0.260 508 G HA3 -0.314 3.673 3.960 0.044 0.000 0.260 508 G C 0.286 175.265 174.900 0.132 0.000 0.977 508 G CA 0.397 45.589 45.100 0.154 0.000 0.641 508 G HN 1.486 nan 8.290 nan 0.000 0.533 509 S N -0.374 115.406 115.700 0.133 0.000 2.572 509 S HA 0.454 4.951 4.470 0.044 0.000 0.267 509 S C 1.781 176.434 174.600 0.088 0.000 1.361 509 S CA 0.165 58.430 58.200 0.109 0.000 1.009 509 S CB 0.842 64.100 63.200 0.096 0.000 0.888 509 S HN 0.537 nan 8.310 nan 0.000 0.553 510 L N 0.444 121.713 121.223 0.078 0.000 2.046 510 L HA -0.112 4.255 4.340 0.044 0.000 0.208 510 L C 2.257 179.165 176.870 0.064 0.000 1.077 510 L CA 1.534 56.415 54.840 0.068 0.000 0.747 510 L CB -0.787 41.306 42.059 0.057 0.000 0.896 510 L HN 0.654 nan 8.230 nan 0.000 0.432 511 D N 0.065 120.498 120.400 0.056 0.000 2.117 511 D HA -0.181 4.486 4.640 0.044 0.000 0.197 511 D C 1.811 178.139 176.300 0.048 0.000 0.987 511 D CA 1.191 55.219 54.000 0.046 0.000 0.829 511 D CB -0.210 40.612 40.800 0.037 0.000 0.961 511 D HN 0.269 nan 8.370 nan 0.000 0.460 512 D N 0.042 120.474 120.400 0.053 0.000 2.144 512 D HA -0.066 4.601 4.640 0.044 0.000 0.199 512 D C 2.319 178.652 176.300 0.056 0.000 0.984 512 D CA 0.311 54.340 54.000 0.048 0.000 0.834 512 D CB -0.194 40.640 40.800 0.056 0.000 0.955 512 D HN 0.239 nan 8.370 nan 0.000 0.465 513 L N 0.473 121.748 121.223 0.085 0.000 2.093 513 L HA -0.092 4.275 4.340 0.044 0.000 0.208 513 L C 2.417 179.383 176.870 0.161 0.000 1.085 513 L CA 0.958 55.878 54.840 0.133 0.000 0.755 513 L CB -0.413 41.733 42.059 0.145 0.000 0.904 513 L HN -0.026 nan 8.230 nan 0.000 0.435 514 A N 0.027 122.914 122.820 0.112 0.000 2.067 514 A HA -0.152 4.194 4.320 0.044 0.000 0.219 514 A C 2.318 179.941 177.584 0.066 0.000 1.158 514 A CA 1.066 53.167 52.037 0.105 0.000 0.661 514 A CB -0.399 18.642 19.000 0.068 0.000 0.801 514 A HN 0.340 nan 8.150 nan 0.000 0.452 515 R N -0.846 119.672 120.500 0.029 0.000 2.193 515 R HA 0.011 4.378 4.340 0.044 0.000 0.213 515 R C 1.629 177.883 176.300 -0.077 0.000 1.055 515 R CA 1.086 57.178 56.100 -0.013 0.000 0.995 515 R CB -0.148 30.145 30.300 -0.012 0.000 0.893 515 R HN 0.419 nan 8.270 nan 0.000 0.459 516 V N -0.263 119.573 119.914 -0.130 0.000 2.649 516 V HA -0.039 4.108 4.120 0.044 0.000 0.248 516 V C 0.428 176.149 176.094 -0.622 0.000 1.054 516 V CA 1.179 63.238 62.300 -0.402 0.000 1.073 516 V CB -0.070 31.435 31.823 -0.531 0.000 0.699 516 V HN 0.089 nan 8.190 nan 0.000 0.463 517 F N 0.313 120.249 119.950 -0.023 0.000 2.453 517 F HA 0.412 4.966 4.527 0.045 0.000 0.358 517 F C -1.885 173.900 175.800 -0.025 0.000 1.129 517 F CA -1.907 56.075 58.000 -0.032 0.000 1.200 517 F CB 1.007 39.983 39.000 -0.040 0.000 1.431 517 F HN 0.044 nan 8.300 nan 0.000 0.503 518 P HA -0.056 nan 4.420 nan 0.000 0.221 518 P C 0.549 177.883 177.300 0.058 0.000 1.150 518 P CA 1.199 64.331 63.100 0.054 0.000 0.800 518 P CB 0.180 31.892 31.700 0.020 0.000 0.787 519 T N -5.461 109.134 114.554 0.069 0.000 3.410 519 T HA 0.370 4.747 4.350 0.044 0.000 0.328 519 T C -2.488 172.237 174.700 0.041 0.000 1.567 519 T CA -2.119 60.009 62.100 0.047 0.000 1.626 519 T CB 1.050 69.940 68.868 0.036 0.000 0.939 519 T HN -0.135 nan 8.240 nan 0.000 0.656 520 P HA -0.167 nan 4.420 nan 0.000 0.216 520 P C 1.781 179.012 177.300 -0.116 0.000 1.150 520 P CA 1.097 64.174 63.100 -0.038 0.000 0.837 520 P CB 0.181 31.846 31.700 -0.059 0.000 0.786 521 E N 1.018 121.175 120.200 -0.071 0.000 2.401 521 E HA -0.178 4.199 4.350 0.044 0.000 0.199 521 E C 0.949 177.468 176.600 -0.135 0.000 1.023 521 E CA 1.158 57.514 56.400 -0.073 0.000 0.859 521 E CB -0.699 29.006 29.700 0.008 0.000 0.780 521 E HN 0.317 nan 8.360 nan 0.000 0.523 522 K N 0.763 121.092 120.400 -0.119 0.000 2.387 522 K HA 0.217 4.564 4.320 0.044 0.000 0.198 522 K C -0.242 176.217 176.600 -0.234 0.000 1.022 522 K CA -0.068 56.168 56.287 -0.085 0.000 1.128 522 K CB 1.198 33.715 32.500 0.028 0.000 0.853 522 K HN -0.082 nan 8.250 nan 0.000 0.523 523 V N 2.823 122.492 119.914 -0.409 0.000 2.357 523 V HA 0.157 4.304 4.120 0.044 0.000 0.284 523 V C -0.548 175.254 176.094 -0.488 0.000 1.018 523 V CA -0.791 61.332 62.300 -0.295 0.000 0.841 523 V CB 0.985 32.737 31.823 -0.118 0.000 0.991 523 V HN 0.253 nan 8.190 nan 0.000 0.437 524 H N 5.919 124.994 119.070 0.009 0.000 2.792 524 H HA 0.487 5.070 4.556 0.044 0.000 0.298 524 H C -0.652 174.636 175.328 -0.066 0.000 1.042 524 H CA -0.346 55.702 56.048 -0.000 0.000 1.300 524 H CB 1.668 31.460 29.762 0.050 0.000 1.431 524 H HN 0.481 nan 8.280 nan 0.000 0.496 525 I N 2.769 123.324 120.570 -0.025 0.000 2.328 525 I HA 0.026 4.223 4.170 0.044 0.000 0.287 525 I C 0.511 176.532 176.117 -0.160 0.000 1.012 525 I CA -0.592 60.641 61.300 -0.112 0.000 1.195 525 I CB 1.198 39.131 38.000 -0.112 0.000 1.350 525 I HN 0.462 nan 8.210 nan 0.000 0.464 526 D N 4.468 124.659 120.400 -0.348 0.000 2.423 526 D HA -0.048 4.618 4.640 0.044 0.000 0.238 526 D C 1.433 177.617 176.300 -0.194 0.000 1.142 526 D CA -0.005 53.773 54.000 -0.369 0.000 0.884 526 D CB 0.989 41.358 40.800 -0.719 0.000 1.199 526 D HN 0.627 nan 8.370 nan 0.000 0.438 527 Q N 1.565 121.265 119.800 -0.166 0.000 2.297 527 Q HA -0.239 4.128 4.340 0.044 0.000 0.208 527 Q C 0.563 176.393 176.000 -0.282 0.000 0.981 527 Q CA 1.543 57.232 55.803 -0.190 0.000 0.876 527 Q CB -0.292 28.330 28.738 -0.193 0.000 0.921 527 Q HN 0.672 nan 8.270 nan 0.000 0.446 528 H N -0.167 118.850 119.070 -0.089 0.000 2.529 528 H HA 0.318 4.897 4.556 0.038 0.000 0.277 528 H C -0.000 175.191 175.328 -0.228 0.000 1.004 528 H CA -0.190 55.731 56.048 -0.212 0.000 1.167 528 H CB 0.741 30.373 29.762 -0.217 0.000 1.445 528 H HN 0.100 nan 8.280 nan 0.000 0.554 529 S N 0.219 115.893 115.700 -0.043 0.000 2.669 529 S HA 0.338 4.835 4.470 0.044 0.000 0.270 529 S C 0.313 174.889 174.600 -0.040 0.000 1.225 529 S CA -0.493 57.665 58.200 -0.071 0.000 0.991 529 S CB 1.333 64.462 63.200 -0.119 0.000 0.987 529 S HN 0.190 nan 8.310 nan 0.000 0.552 530 T N 2.268 116.709 114.554 -0.188 0.000 2.881 530 T HA 0.479 4.856 4.350 0.044 0.000 0.291 530 T C -1.367 173.148 174.700 -0.307 0.000 0.990 530 T CA -0.394 61.496 62.100 -0.349 0.000 0.976 530 T CB 0.952 69.302 68.868 -0.862 0.000 0.970 530 T HN 0.316 nan 8.240 nan 0.000 0.438 531 L N 5.269 126.362 121.223 -0.215 0.000 2.342 531 L HA 0.672 5.039 4.340 0.044 0.000 0.276 531 L C -1.367 175.451 176.870 -0.087 0.000 0.997 531 L CA -0.533 54.232 54.840 -0.124 0.000 0.838 531 L CB 0.597 42.627 42.059 -0.049 0.000 1.224 531 L HN 0.641 nan 8.230 nan 0.000 0.416 532 I N 5.619 126.143 120.570 -0.077 0.000 2.378 532 I HA 0.533 4.730 4.170 0.044 0.000 0.291 532 I C -0.832 175.290 176.117 0.008 0.000 0.992 532 I CA -0.826 60.465 61.300 -0.014 0.000 1.154 532 I CB 1.899 39.900 38.000 0.002 0.000 1.315 532 I HN 0.245 nan 8.210 nan 0.000 0.448 533 V N 5.719 125.649 119.914 0.026 0.000 2.531 533 V HA 0.422 4.569 4.120 0.044 0.000 0.301 533 V C -0.500 175.607 176.094 0.022 0.000 1.034 533 V CA -0.674 61.632 62.300 0.010 0.000 0.865 533 V CB 1.752 33.566 31.823 -0.014 0.000 0.995 533 V HN 0.695 nan 8.190 nan 0.000 0.424 534 E N 2.701 122.913 120.200 0.020 0.000 2.222 534 E HA 0.729 5.105 4.350 0.044 0.000 0.267 534 E C 0.321 176.933 176.600 0.020 0.000 0.884 534 E CA -0.098 56.318 56.400 0.026 0.000 0.764 534 E CB 2.298 32.019 29.700 0.035 0.000 1.169 534 E HN 1.143 nan 8.360 nan 0.000 0.413 535 G N 1.822 110.631 108.800 0.014 0.000 2.698 535 G HA2 -0.248 3.738 3.960 0.044 0.000 0.225 535 G HA3 -0.248 3.738 3.960 0.044 0.000 0.225 535 G C -0.617 174.283 174.900 0.001 0.000 1.345 535 G CA -0.828 44.279 45.100 0.012 0.000 0.871 535 G HN 0.444 nan 8.290 nan 0.000 0.540 536 R N -0.176 120.327 120.500 0.006 0.000 2.605 536 R HA 0.520 4.887 4.340 0.044 0.000 0.271 536 R C -0.068 176.230 176.300 -0.003 0.000 1.418 536 R CA 0.202 56.300 56.100 -0.003 0.000 1.102 536 R CB -0.437 29.865 30.300 0.004 0.000 1.131 536 R HN 0.741 nan 8.270 nan 0.000 0.554 537 V N 5.704 125.587 119.914 -0.052 0.000 2.735 537 V HA 0.515 4.662 4.120 0.044 0.000 0.310 537 V C -0.048 175.944 176.094 -0.171 0.000 1.061 537 V CA -0.842 61.394 62.300 -0.106 0.000 0.913 537 V CB 2.296 34.034 31.823 -0.141 0.000 1.005 537 V HN 0.487 nan 8.190 nan 0.000 0.428 538 I N 4.911 125.368 120.570 -0.187 0.000 2.466 538 I HA 0.508 4.704 4.170 0.044 0.000 0.289 538 I C -0.928 175.047 176.117 -0.236 0.000 1.026 538 I CA -0.382 60.791 61.300 -0.213 0.000 1.078 538 I CB 2.062 39.989 38.000 -0.122 0.000 1.249 538 I HN 0.433 nan 8.210 nan 0.000 0.429 539 I N 6.158 126.538 120.570 -0.316 0.000 2.359 539 I HA 0.248 4.445 4.170 0.044 0.000 0.284 539 I C 0.897 176.984 176.117 -0.050 0.000 1.018 539 I CA -0.112 61.074 61.300 -0.191 0.000 1.173 539 I CB 1.211 39.102 38.000 -0.182 0.000 1.326 539 I HN 0.663 nan 8.210 nan 0.000 0.462 540 E N 3.197 123.386 120.200 -0.018 0.000 2.086 540 E HA 0.011 4.387 4.350 0.044 0.000 0.190 540 E C 0.107 176.736 176.600 0.049 0.000 0.975 540 E CA 0.594 57.008 56.400 0.023 0.000 0.813 540 E CB 0.362 30.068 29.700 0.010 0.000 0.768 540 E HN 0.683 nan 8.360 nan 0.000 0.457 541 S N 0.207 115.934 115.700 0.045 0.000 2.566 541 S HA 0.597 5.094 4.470 0.044 0.000 0.273 541 S C -1.194 173.444 174.600 0.063 0.000 1.157 541 S CA -1.072 57.161 58.200 0.055 0.000 0.938 541 S CB 2.029 65.264 63.200 0.058 0.000 1.087 541 S HN 0.099 nan 8.310 nan 0.000 0.474 542 L N 0.834 122.105 121.223 0.079 0.000 2.611 542 L HA 0.630 4.997 4.340 0.044 0.000 0.260 542 L C -1.914 175.034 176.870 0.131 0.000 0.924 542 L CA -0.234 54.658 54.840 0.087 0.000 0.901 542 L CB 1.983 44.085 42.059 0.072 0.000 1.369 542 L HN 0.795 nan 8.230 nan 0.000 0.415 543 E N 4.911 125.201 120.200 0.149 0.000 2.114 543 E HA 0.483 4.860 4.350 0.044 0.000 0.266 543 E C -1.469 175.237 176.600 0.177 0.000 0.896 543 E CA -0.553 55.969 56.400 0.203 0.000 0.750 543 E CB 2.393 32.224 29.700 0.218 0.000 1.121 543 E HN 0.530 nan 8.360 nan 0.000 0.413 544 L N 3.806 125.093 121.223 0.108 0.000 2.343 544 L HA 0.353 4.720 4.340 0.044 0.000 0.278 544 L C -1.671 175.167 176.870 -0.054 0.000 0.996 544 L CA -0.609 54.263 54.840 0.053 0.000 0.831 544 L CB 0.653 42.705 42.059 -0.012 0.000 1.232 544 L HN 0.377 nan 8.230 nan 0.000 0.413 545 Y N 5.411 125.721 120.300 0.016 0.000 2.837 545 Y HA 0.723 5.300 4.550 0.044 0.000 0.356 545 Y C 0.767 176.665 175.900 -0.005 0.000 1.035 545 Y CA 0.201 58.309 58.100 0.014 0.000 1.165 545 Y CB 1.162 39.632 38.460 0.017 0.000 1.147 545 Y HN 0.850 nan 8.280 nan 0.000 0.628 546 G N 0.601 109.428 108.800 0.044 0.000 2.332 546 G HA2 0.410 4.397 3.960 0.044 0.000 0.265 546 G HA3 0.410 4.397 3.960 0.044 0.000 0.265 546 G C -1.775 173.072 174.900 -0.088 0.000 1.329 546 G CA -0.385 44.716 45.100 0.002 0.000 0.949 546 G HN 0.524 nan 8.290 nan 0.000 0.476 547 A N -0.672 122.078 122.820 -0.116 0.000 2.330 547 A HA 0.893 5.240 4.320 0.044 0.000 0.327 547 A C -0.917 176.584 177.584 -0.138 0.000 1.155 547 A CA -0.381 51.498 52.037 -0.262 0.000 0.803 547 A CB 1.562 20.274 19.000 -0.480 0.000 1.208 547 A HN 2.122 nan 8.150 nan 0.000 0.477 548 L N 1.627 122.758 121.223 -0.152 0.000 2.455 548 L HA 0.734 5.100 4.340 0.044 0.000 0.264 548 L C -0.676 176.156 176.870 -0.063 0.000 0.968 548 L CA 0.245 55.045 54.840 -0.066 0.000 0.827 548 L CB 2.490 44.528 42.059 -0.036 0.000 1.317 548 L HN 0.573 nan 8.230 nan 0.000 0.407 549 T N 5.996 120.543 114.554 -0.012 0.000 2.792 549 T HA 0.671 5.048 4.350 0.044 0.000 0.280 549 T C -0.395 174.318 174.700 0.021 0.000 0.990 549 T CA -0.097 62.008 62.100 0.008 0.000 0.960 549 T CB 0.800 69.693 68.868 0.042 0.000 0.939 549 T HN 0.446 nan 8.240 nan 0.000 0.439 550 I N 3.536 124.113 120.570 0.011 0.000 2.378 550 I HA 0.489 4.686 4.170 0.044 0.000 0.291 550 I C 0.232 176.374 176.117 0.040 0.000 0.992 550 I CA -0.855 60.454 61.300 0.014 0.000 1.154 550 I CB 1.495 39.456 38.000 -0.064 0.000 1.315 550 I HN 0.297 nan 8.210 nan 0.000 0.448 551 R N 4.204 124.764 120.500 0.100 0.000 2.494 551 R HA 0.717 5.084 4.340 0.044 0.000 0.305 551 R C -0.130 176.266 176.300 0.159 0.000 0.959 551 R CA -0.656 55.501 56.100 0.096 0.000 0.864 551 R CB 2.374 32.717 30.300 0.071 0.000 1.159 551 R HN 0.823 nan 8.270 nan 0.000 0.446 552 G N 2.365 111.229 108.800 0.107 0.000 3.013 552 G HA2 0.534 4.520 3.960 0.044 0.000 0.278 552 G HA3 0.534 4.520 3.960 0.044 0.000 0.278 552 G C -2.706 172.224 174.900 0.050 0.000 1.353 552 G CA -1.608 43.560 45.100 0.113 0.000 1.043 552 G HN 0.233 nan 8.290 nan 0.000 0.523 553 P HA 0.074 nan 4.420 nan 0.000 0.264 553 P C 1.116 178.423 177.300 0.011 0.000 1.183 553 P CA 0.317 63.426 63.100 0.014 0.000 0.763 553 P CB 0.687 32.393 31.700 0.010 0.000 0.807 554 T N -1.747 112.810 114.554 0.006 0.000 3.085 554 T HA -0.058 4.319 4.350 0.044 0.000 0.263 554 T C 0.517 175.215 174.700 -0.002 0.000 1.127 554 T CA 0.319 62.421 62.100 0.003 0.000 1.103 554 T CB -0.440 68.429 68.868 0.001 0.000 0.921 554 T HN 0.298 nan 8.240 nan 0.000 0.510 555 D N 1.922 122.320 120.400 -0.002 0.000 2.313 555 D HA 0.272 4.939 4.640 0.044 0.000 0.239 555 D C 1.391 177.688 176.300 -0.006 0.000 1.142 555 D CA -0.125 53.871 54.000 -0.006 0.000 0.847 555 D CB 1.554 42.351 40.800 -0.005 0.000 1.082 555 D HN 0.179 nan 8.370 nan 0.000 0.480 556 S N 3.324 119.018 115.700 -0.010 0.000 2.442 556 S HA -0.176 4.320 4.470 0.044 0.000 0.236 556 S C 1.614 176.208 174.600 -0.010 0.000 1.007 556 S CA 0.732 58.926 58.200 -0.011 0.000 0.965 556 S CB -0.267 62.923 63.200 -0.016 0.000 0.773 556 S HN 0.643 nan 8.310 nan 0.000 0.504 557 M N 1.097 120.691 119.600 -0.009 0.000 2.428 557 M HA 0.375 4.881 4.480 0.044 0.000 0.239 557 M C 0.986 177.283 176.300 -0.005 0.000 1.121 557 M CA 0.024 55.320 55.300 -0.008 0.000 1.019 557 M CB 0.014 32.609 32.600 -0.008 0.000 1.485 557 M HN 0.417 nan 8.290 nan 0.000 0.484 558 A N 1.178 123.995 122.820 -0.004 0.000 2.313 558 A HA 0.512 4.859 4.320 0.044 0.000 0.261 558 A C 0.072 177.656 177.584 0.000 0.000 1.090 558 A CA -0.536 51.499 52.037 -0.002 0.000 0.807 558 A CB 0.264 19.263 19.000 -0.002 0.000 1.055 558 A HN 0.341 nan 8.150 nan 0.000 0.492 559 L N 1.447 122.671 121.223 0.001 0.000 2.455 559 L HA 0.206 4.573 4.340 0.044 0.000 0.272 559 L C -1.916 174.963 176.870 0.015 0.000 1.174 559 L CA -1.333 53.510 54.840 0.005 0.000 0.869 559 L CB 0.035 42.096 42.059 0.003 0.000 1.130 559 L HN 0.474 nan 8.230 nan 0.000 0.474 560 P HA 0.052 nan 4.420 nan 0.000 0.275 560 P C -0.714 176.638 177.300 0.086 0.000 1.228 560 P CA -0.271 62.849 63.100 0.033 0.000 0.786 560 P CB 0.395 32.098 31.700 0.005 0.000 0.927 561 H N 2.510 121.563 119.070 -0.028 0.000 2.864 561 H HA 0.249 4.832 4.556 0.045 0.000 0.281 561 H C -0.922 174.386 175.328 -0.033 0.000 1.093 561 H CA -0.451 55.582 56.048 -0.025 0.000 1.453 561 H CB -0.485 29.264 29.762 -0.022 0.000 1.462 561 H HN -0.038 nan 8.280 nan 0.000 0.480 562 V N 6.830 126.854 119.914 0.183 0.000 2.407 562 V HA 0.198 4.344 4.120 0.044 0.000 0.278 562 V C 0.025 176.091 176.094 -0.047 0.000 1.037 562 V CA -0.832 61.468 62.300 0.000 0.000 0.900 562 V CB 1.488 33.327 31.823 0.027 0.000 0.983 562 V HN 0.536 nan 8.190 nan 0.000 0.459 563 V N 6.867 126.690 119.914 -0.153 0.000 2.370 563 V HA 0.568 4.715 4.120 0.044 0.000 0.279 563 V C 0.095 176.169 176.094 -0.033 0.000 1.029 563 V CA -0.558 61.673 62.300 -0.114 0.000 0.870 563 V CB 1.277 32.993 31.823 -0.179 0.000 0.984 563 V HN 0.912 nan 8.190 nan 0.000 0.451 564 R N 3.233 123.737 120.500 0.007 0.000 2.686 564 R HA 0.478 4.845 4.340 0.044 0.000 0.283 564 R C -0.017 176.304 176.300 0.034 0.000 0.978 564 R CA -1.067 55.046 56.100 0.022 0.000 0.897 564 R CB 1.212 31.527 30.300 0.026 0.000 1.192 564 R HN 0.759 nan 8.270 nan 0.000 0.457 565 N N -0.105 118.621 118.700 0.042 0.000 2.716 565 N HA -0.253 4.514 4.740 0.044 0.000 0.250 565 N C -0.889 174.651 175.510 0.050 0.000 1.033 565 N CA 0.739 53.819 53.050 0.049 0.000 0.727 565 N CB -0.633 37.879 38.487 0.042 0.000 0.950 565 N HN 0.709 nan 8.380 nan 0.000 0.541 566 A N 0.025 122.876 122.820 0.052 0.000 2.331 566 A HA 0.654 5.001 4.320 0.044 0.000 0.283 566 A C 0.200 177.824 177.584 0.067 0.000 1.142 566 A CA -0.312 51.756 52.037 0.052 0.000 0.812 566 A CB 1.051 20.075 19.000 0.040 0.000 1.074 566 A HN 0.119 nan 8.150 nan 0.000 0.497 567 V N 3.478 123.430 119.914 0.063 0.000 2.447 567 V HA 0.419 4.566 4.120 0.044 0.000 0.292 567 V C -0.717 175.418 176.094 0.070 0.000 1.021 567 V CA -0.405 61.941 62.300 0.076 0.000 0.850 567 V CB 1.447 33.306 31.823 0.060 0.000 1.005 567 V HN 0.661 nan 8.190 nan 0.000 0.426 568 V N 5.986 125.953 119.914 0.089 0.000 2.531 568 V HA 0.636 4.783 4.120 0.044 0.000 0.301 568 V C -0.260 175.896 176.094 0.104 0.000 1.034 568 V CA -0.693 61.652 62.300 0.075 0.000 0.865 568 V CB 2.138 33.994 31.823 0.056 0.000 0.995 568 V HN 0.854 nan 8.190 nan 0.000 0.424 569 R N 4.038 124.584 120.500 0.078 0.000 2.514 569 R HA 0.645 5.012 4.340 0.044 0.000 0.296 569 R C -0.984 175.350 176.300 0.056 0.000 1.012 569 R CA -0.631 55.520 56.100 0.084 0.000 0.897 569 R CB 2.160 32.482 30.300 0.037 0.000 1.184 569 R HN 0.997 nan 8.270 nan 0.000 0.440 570 N N 0.182 118.919 118.700 0.061 0.000 3.277 570 N HA 0.284 5.051 4.740 0.044 0.000 0.278 570 N C -0.010 175.529 175.510 0.048 0.000 1.544 570 N CA -0.693 52.386 53.050 0.048 0.000 0.869 570 N CB 0.489 39.006 38.487 0.051 0.000 1.584 570 N HN 0.272 nan 8.380 nan 0.000 0.564 571 A N -0.656 122.193 122.820 0.048 0.000 2.070 571 A HA 0.387 4.733 4.320 0.044 0.000 0.220 571 A C 1.437 179.055 177.584 0.057 0.000 1.159 571 A CA 1.655 53.718 52.037 0.042 0.000 0.656 571 A CB -1.807 17.220 19.000 0.045 0.000 0.800 571 A HN 1.610 nan 8.150 nan 0.000 0.453 572 G N -2.231 106.622 108.800 0.089 0.000 2.569 572 G HA2 -0.219 3.768 3.960 0.044 0.000 0.259 572 G HA3 -0.219 3.768 3.960 0.044 0.000 0.259 572 G C -0.296 174.806 174.900 0.335 0.000 1.263 572 G CA 0.203 45.365 45.100 0.103 0.000 0.928 572 G HN 0.651 nan 8.290 nan 0.000 0.572 573 W N 0.486 121.781 121.300 -0.007 0.000 2.671 573 W HA 0.802 5.486 4.660 0.039 0.000 0.360 573 W C 0.728 177.202 176.519 -0.076 0.000 1.128 573 W CA -0.296 57.081 57.345 0.054 0.000 1.184 573 W CB 1.373 30.980 29.460 0.245 0.000 1.415 573 W HN 1.314 nan 8.180 nan 0.000 0.604 574 S N -0.311 115.563 115.700 0.290 0.000 2.685 574 S HA 0.830 5.326 4.470 0.044 0.000 0.282 574 S C -1.606 173.198 174.600 0.340 0.000 1.159 574 S CA -0.916 57.378 58.200 0.156 0.000 0.833 574 S CB 1.986 65.230 63.200 0.074 0.000 1.151 574 S HN 0.517 nan 8.310 nan 0.000 0.485 575 V N 2.489 122.592 119.914 0.315 0.000 2.760 575 V HA 0.752 4.899 4.120 0.044 0.000 0.309 575 V C -1.706 174.531 176.094 0.238 0.000 1.077 575 V CA -0.338 62.120 62.300 0.262 0.000 0.910 575 V CB 1.700 33.640 31.823 0.196 0.000 1.008 575 V HN 1.293 nan 8.190 nan 0.000 0.424 576 H N 4.260 123.401 119.070 0.118 0.000 2.980 576 H HA 0.811 5.377 4.556 0.018 0.000 0.367 576 H C -0.424 174.986 175.328 0.137 0.000 1.206 576 H CA -0.405 55.701 56.048 0.096 0.000 1.126 576 H CB 1.815 31.616 29.762 0.065 0.000 1.838 576 H HN 0.879 nan 8.280 nan 0.000 0.552 577 A N 2.209 125.121 122.820 0.154 0.000 2.407 577 A HA 0.363 4.709 4.320 0.044 0.000 0.248 577 A C 0.476 178.109 177.584 0.081 0.000 1.082 577 A CA -0.618 51.480 52.037 0.102 0.000 0.785 577 A CB -0.258 18.795 19.000 0.088 0.000 1.020 577 A HN 0.597 nan 8.150 nan 0.000 0.489 578 I N 2.572 123.156 120.570 0.024 0.000 2.517 578 I HA 0.030 4.227 4.170 0.044 0.000 0.285 578 I C 0.132 176.274 176.117 0.041 0.000 1.106 578 I CA 0.196 61.508 61.300 0.020 0.000 1.402 578 I CB 0.243 38.228 38.000 -0.025 0.000 1.399 578 I HN 0.488 nan 8.210 nan 0.000 0.535 579 L N 5.720 126.980 121.223 0.062 0.000 2.439 579 L HA 0.055 4.422 4.340 0.044 0.000 0.269 579 L C 1.708 178.593 176.870 0.026 0.000 1.179 579 L CA -0.091 54.777 54.840 0.047 0.000 0.828 579 L CB 1.102 43.192 42.059 0.052 0.000 1.106 579 L HN 0.781 nan 8.230 nan 0.000 0.467 580 S N 2.067 117.779 115.700 0.019 0.000 2.419 580 S HA -0.201 4.295 4.470 0.044 0.000 0.233 580 S C 1.671 176.278 174.600 0.013 0.000 1.016 580 S CA 1.235 59.442 58.200 0.012 0.000 0.974 580 S CB -0.619 62.587 63.200 0.011 0.000 0.786 580 S HN 0.645 nan 8.310 nan 0.000 0.492 581 L N 1.409 122.642 121.223 0.016 0.000 2.081 581 L HA 0.038 4.405 4.340 0.044 0.000 0.212 581 L C 1.583 178.461 176.870 0.013 0.000 1.080 581 L CA 0.086 54.935 54.840 0.014 0.000 0.754 581 L CB -2.140 39.928 42.059 0.015 0.000 0.893 581 L HN 0.302 nan 8.230 nan 0.000 0.433 588 R N 1.433 121.933 120.500 0.000 0.000 2.363 588 R HA 0.286 4.653 4.340 0.044 0.000 0.236 588 R C -0.116 176.179 176.300 -0.009 0.000 0.966 588 R CA -0.260 55.837 56.100 -0.004 0.000 1.100 588 R CB -0.910 29.387 30.300 -0.006 0.000 1.125 588 R HN 0.755 nan 8.270 nan 0.000 0.514 589 L N 2.156 123.374 121.223 -0.008 0.000 2.418 589 L HA 0.055 4.422 4.340 0.044 0.000 0.274 589 L C 0.758 177.620 176.870 -0.012 0.000 1.135 589 L CA 0.066 54.897 54.840 -0.016 0.000 0.870 589 L CB 0.868 42.918 42.059 -0.015 0.000 1.154 589 L HN 0.103 nan 8.230 nan 0.000 0.462 590 S N 1.250 116.942 115.700 -0.014 0.000 2.747 590 S HA 0.307 4.804 4.470 0.044 0.000 0.300 590 S C 0.752 175.358 174.600 0.011 0.000 1.121 590 S CA -0.939 57.263 58.200 0.004 0.000 0.995 590 S CB 1.660 64.868 63.200 0.014 0.000 1.113 590 S HN 0.632 nan 8.310 nan 0.000 0.547 591 E N 0.027 120.258 120.200 0.051 0.000 2.097 591 E HA -0.143 4.233 4.350 0.044 0.000 0.196 591 E C 1.906 178.552 176.600 0.077 0.000 1.000 591 E CA 1.376 57.833 56.400 0.094 0.000 0.804 591 E CB -0.466 29.340 29.700 0.177 0.000 0.740 591 E HN 0.450 nan 8.360 nan 0.000 0.454 592 V N 2.051 122.006 119.914 0.068 0.000 2.332 592 V HA -0.284 3.862 4.120 0.044 0.000 0.248 592 V C 1.745 177.754 176.094 -0.142 0.000 1.055 592 V CA 2.039 64.294 62.300 -0.074 0.000 1.038 592 V CB -0.410 31.363 31.823 -0.084 0.000 0.651 592 V HN 0.265 nan 8.190 nan 0.000 0.450 593 D N -0.320 120.009 120.400 -0.118 0.000 2.084 593 D HA -0.134 4.533 4.640 0.044 0.000 0.196 593 D C 2.364 178.551 176.300 -0.188 0.000 0.985 593 D CA 1.200 55.095 54.000 -0.175 0.000 0.826 593 D CB -0.292 40.437 40.800 -0.119 0.000 0.978 593 D HN 0.421 nan 8.370 nan 0.000 0.456 594 R N 0.824 121.260 120.500 -0.107 0.000 2.091 594 R HA -0.089 4.277 4.340 0.044 0.000 0.238 594 R C 2.646 178.887 176.300 -0.098 0.000 1.136 594 R CA 1.089 57.139 56.100 -0.084 0.000 0.959 594 R CB -0.620 29.659 30.300 -0.034 0.000 0.856 594 R HN 0.371 nan 8.270 nan 0.000 0.437 595 I N -0.043 120.470 120.570 -0.095 0.000 2.916 595 I HA -0.142 4.055 4.170 0.044 0.000 0.267 595 I C 2.102 178.138 176.117 -0.135 0.000 1.263 595 I CA 1.231 62.482 61.300 -0.082 0.000 1.471 595 I CB -0.222 37.745 38.000 -0.056 0.000 1.089 595 I HN 0.094 nan 8.210 nan 0.000 0.468 596 R N 1.420 121.762 120.500 -0.263 0.000 2.307 596 R HA 0.343 4.710 4.340 0.044 0.000 0.200 596 R C 1.558 177.616 176.300 -0.404 0.000 0.893 596 R CA 0.752 56.616 56.100 -0.393 0.000 1.042 596 R CB 0.056 29.920 30.300 -0.727 0.000 1.059 596 R HN 0.337 nan 8.270 nan 0.000 0.530 597 G N 1.284 109.889 108.800 -0.324 0.000 2.159 597 G HA2 -0.287 3.699 3.960 0.044 0.000 0.256 597 G HA3 -0.287 3.699 3.960 0.044 0.000 0.256 597 G C -0.071 174.787 174.900 -0.070 0.000 0.977 597 G CA 0.672 45.677 45.100 -0.159 0.000 0.652 597 G HN 0.541 nan 8.290 nan 0.000 0.531 598 F N -2.218 117.678 119.950 -0.090 0.000 2.685 598 F HA 0.850 5.396 4.527 0.033 0.000 0.315 598 F C -0.686 175.014 175.800 -0.166 0.000 1.126 598 F CA -1.802 56.120 58.000 -0.130 0.000 0.950 598 F CB 1.588 40.540 39.000 -0.080 0.000 1.360 598 F HN 0.194 nan 8.300 nan 0.000 0.469 599 V N 2.467 122.421 119.914 0.067 0.000 2.760 599 V HA 0.377 4.524 4.120 0.044 0.000 0.309 599 V C -0.424 175.692 176.094 0.036 0.000 1.077 599 V CA -0.838 61.447 62.300 -0.024 0.000 0.910 599 V CB 1.994 33.700 31.823 -0.195 0.000 1.008 599 V HN 0.763 nan 8.190 nan 0.000 0.424 600 L N 3.524 124.801 121.223 0.090 0.000 2.380 600 L HA 0.417 4.784 4.340 0.044 0.000 0.273 600 L C 0.103 176.939 176.870 -0.056 0.000 1.138 600 L CA -0.276 54.592 54.840 0.046 0.000 0.832 600 L CB 0.684 42.726 42.059 -0.028 0.000 1.124 600 L HN 0.486 nan 8.230 nan 0.000 0.454 601 K N 3.279 123.684 120.400 0.007 0.000 2.281 601 K HA 0.209 4.556 4.320 0.044 0.000 0.272 601 K C -0.560 175.888 176.600 -0.253 0.000 1.048 601 K CA -0.179 56.081 56.287 -0.045 0.000 0.898 601 K CB 0.648 33.206 32.500 0.096 0.000 1.128 601 K HN 0.246 nan 8.250 nan 0.000 0.460 602 K N 3.035 123.147 120.400 -0.480 0.000 2.535 602 K HA 0.094 4.441 4.320 0.044 0.000 0.242 602 K C 0.300 176.775 176.600 -0.208 0.000 1.210 602 K CA -0.099 55.660 56.287 -0.881 0.000 1.178 602 K CB 0.441 32.326 32.500 -1.025 0.000 1.778 602 K HN 0.557 nan 8.250 nan 0.000 0.372 603 T N 0.386 114.943 114.554 0.005 0.000 2.737 603 T HA -0.085 4.291 4.350 0.044 0.000 0.265 603 T C 0.864 175.648 174.700 0.139 0.000 1.038 603 T CA 0.978 63.125 62.100 0.077 0.000 1.144 603 T CB 0.157 69.076 68.868 0.086 0.000 0.866 603 T HN 0.521 nan 8.240 nan 0.000 0.434 604 A N 0.323 123.293 122.820 0.249 0.000 2.469 604 A HA 0.858 5.205 4.320 0.044 0.000 0.299 604 A C -1.094 176.657 177.584 0.278 0.000 1.098 604 A CA -0.797 51.364 52.037 0.206 0.000 0.737 604 A CB 1.736 20.818 19.000 0.136 0.000 1.312 604 A HN 0.263 nan 8.150 nan 0.000 0.414 605 M N 1.101 120.812 119.600 0.185 0.000 2.296 605 M HA 0.623 5.130 4.480 0.044 0.000 0.268 605 M C -0.899 175.457 176.300 0.093 0.000 1.048 605 M CA -0.114 55.280 55.300 0.157 0.000 0.966 605 M CB 1.466 34.211 32.600 0.241 0.000 1.912 605 M HN 1.479 nan 8.290 nan 0.000 0.484 606 A N 3.692 126.546 122.820 0.056 0.000 2.316 606 A HA 0.848 5.195 4.320 0.044 0.000 0.284 606 A C -1.074 176.538 177.584 0.047 0.000 1.115 606 A CA -0.562 51.504 52.037 0.048 0.000 0.812 606 A CB 0.827 19.849 19.000 0.037 0.000 1.064 606 A HN 0.833 nan 8.150 nan 0.000 0.489 607 V N 2.902 122.847 119.914 0.051 0.000 2.531 607 V HA 0.423 4.570 4.120 0.044 0.000 0.301 607 V C -0.296 175.833 176.094 0.060 0.000 1.034 607 V CA -0.147 62.185 62.300 0.054 0.000 0.865 607 V CB 1.546 33.403 31.823 0.057 0.000 0.995 607 V HN 0.924 nan 8.190 nan 0.000 0.424 608 M N 4.410 124.055 119.600 0.074 0.000 2.023 608 M HA 0.450 4.957 4.480 0.044 0.000 0.325 608 M C -0.818 175.576 176.300 0.157 0.000 0.963 608 M CA -0.419 54.950 55.300 0.117 0.000 0.928 608 M CB 1.203 33.883 32.600 0.134 0.000 1.429 608 M HN 0.606 nan 8.290 nan 0.000 0.404 609 D N 1.275 121.732 120.400 0.094 0.000 2.511 609 D HA 0.445 5.111 4.640 0.044 0.000 0.283 609 D C 0.979 177.222 176.300 -0.094 0.000 1.198 609 D CA -0.279 53.748 54.000 0.046 0.000 1.097 609 D CB 0.266 41.074 40.800 0.013 0.000 1.160 609 D HN 0.844 nan 8.370 nan 0.000 0.589 610 C N 0.000 119.213 119.300 -0.144 0.000 2.653 610 C HA 0.000 4.487 4.460 0.044 0.000 0.325 610 C CA 0.000 58.864 59.018 -0.257 0.000 1.963 610 C CB 0.000 27.663 27.740 -0.128 0.000 2.134 610 C HN 0.000 nan 8.230 nan 0.000 0.568