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 1k1y_1_B DATA FIRST_RESID 2 DATA SEQUENCE ERINFIFGIH NHQPLGNFGW VFEEAYNRSY RPFMEILEEF PEMKVNVHFS DATA SEQUENCE GPLLEWIEEN KPDYLDLLRS LIKRGQLEIV VAGFYEPVLA AIPKEDRLVQ DATA SEQUENCE IEMLKDYARK LGYDAKGVWL TERVWQPELV KSLREAGIEY VVVDDYHFMS DATA SEQUENCE AGLSKEELFW PYYTEDGGEV ITVFPIDEKL RYLIPFRPVK KTIEYLESLT DATA SEQUENCE SDDPSKVAVF HDDGEKFGVW PGTYEWVYEK GWLREFFDAI TSNEKINLMT DATA SEQUENCE YSEYLSKFTP RGLVYLPIAS YFEMSEWSLP AKQAKLFVEF VEQLKEEGKF DATA SEQUENCE EKYRVFVRGG IWKNFFFKYP ESNFMHKRML MVSKAVRDNP EARKYILKAQ DATA SEQUENCE CNDAYWHGVF GGIYLPHLRR TVWENIIKAQ RYLKPENKIL DVDFDGRAEI DATA SEQUENCE MVENDGFIAT IKPHYGGSIF ELSSKRKAVN YNDVLPRRWE HYHEVXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQIP EEIRRELAYD WQLRAILQDH FIKPEETLDN DATA SEQUENCE YRLVKYHELG DFVNQPYEYE MIENGVKLWR EGGVYAEEKI PARVEKKIEL DATA SEQUENCE TEDGFIAKYR VLLEKPYKAL FGVEINLAVH SVMEKPEEFE AKEFEVNDPY DATA SEQUENCE GIGKVRIELD KAAKVWKFPI KTLSQSEAGW DFIQQGVSYT MLFPIEKELE DATA SEQUENCE FTVRFREL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.574 176.600 -0.043 0.000 1.382 2 E CA 0.000 56.384 56.400 -0.027 0.000 0.976 2 E CB 0.000 29.680 29.700 -0.032 0.000 0.812 3 R N 1.134 121.606 120.500 -0.047 0.000 3.045 3 R HA 0.745 5.085 4.340 -0.001 0.000 0.245 3 R C -1.153 175.090 176.300 -0.096 0.000 1.333 3 R CA -1.154 54.908 56.100 -0.063 0.000 1.036 3 R CB 1.412 31.690 30.300 -0.037 0.000 1.340 3 R HN 0.377 nan 8.270 nan 0.000 0.488 4 I N 0.620 121.129 120.570 -0.102 0.000 2.644 4 I HA 0.288 4.457 4.170 -0.001 0.000 0.291 4 I C -1.506 174.571 176.117 -0.066 0.000 1.180 4 I CA -0.586 60.632 61.300 -0.137 0.000 1.040 4 I CB 2.081 39.957 38.000 -0.206 0.000 1.255 4 I HN 0.438 nan 8.210 nan 0.000 0.422 5 N N 6.104 124.768 118.700 -0.059 0.000 2.529 5 N HA 0.358 5.098 4.740 -0.001 0.000 0.278 5 N C -1.414 174.153 175.510 0.096 0.000 1.146 5 N CA 0.093 53.158 53.050 0.024 0.000 0.980 5 N CB 1.237 39.749 38.487 0.041 0.000 1.124 5 N HN 0.465 nan 8.380 nan 0.000 0.458 6 F N 1.977 121.888 119.950 -0.064 0.000 2.561 6 F HA 0.546 5.072 4.527 -0.001 0.000 0.313 6 F C -1.208 174.557 175.800 -0.058 0.000 1.126 6 F CA -0.958 57.016 58.000 -0.044 0.000 0.918 6 F CB 0.954 39.946 39.000 -0.013 0.000 1.199 6 F HN 0.290 nan 8.300 nan 0.000 0.444 7 I N 6.712 126.826 120.570 -0.760 0.000 2.406 7 I HA 0.328 4.498 4.170 -0.001 0.000 0.290 7 I C -1.408 174.163 176.117 -0.910 0.000 0.999 7 I CA -0.799 60.027 61.300 -0.790 0.000 1.124 7 I CB 1.784 39.253 38.000 -0.884 0.000 1.289 7 I HN 0.504 nan 8.210 nan 0.000 0.441 8 F N 4.992 124.481 119.950 -0.768 0.000 2.458 8 F HA 0.837 5.363 4.527 -0.001 0.000 0.336 8 F C 0.187 175.807 175.800 -0.301 0.000 1.114 8 F CA -0.278 57.496 58.000 -0.377 0.000 0.987 8 F CB 1.760 40.687 39.000 -0.122 0.000 1.130 8 F HN 0.407 nan 8.300 nan 0.000 0.458 9 G N 5.723 114.018 108.800 -0.840 0.000 2.704 9 G HA2 0.635 4.594 3.960 -0.001 0.000 0.293 9 G HA3 0.635 4.594 3.960 -0.001 0.000 0.293 9 G C -1.864 172.419 174.900 -1.029 0.000 1.421 9 G CA -0.796 43.666 45.100 -1.062 0.000 0.870 9 G HN 0.910 nan 8.290 nan 0.000 0.492 10 I N -2.018 118.122 120.570 -0.717 0.000 3.074 10 I HA 0.789 4.959 4.170 -0.001 0.000 0.310 10 I C -1.332 174.614 176.117 -0.285 0.000 1.153 10 I CA -1.407 59.645 61.300 -0.412 0.000 0.993 10 I CB 2.781 40.436 38.000 -0.575 0.000 1.237 10 I HN 0.603 nan 8.210 nan 0.000 0.443 11 H N 2.691 121.448 119.070 -0.521 0.000 2.860 11 H HA 0.524 5.079 4.556 -0.001 0.000 0.312 11 H C -1.662 173.374 175.328 -0.487 0.000 0.995 11 H CA -0.539 55.081 56.048 -0.712 0.000 1.311 11 H CB 0.774 29.659 29.762 -1.461 0.000 1.478 11 H HN 0.568 nan 8.280 nan 0.000 0.508 12 N N 3.697 121.852 118.700 -0.908 0.000 2.422 12 N HA 0.214 4.953 4.740 -0.001 0.000 0.266 12 N C -1.050 174.027 175.510 -0.722 0.000 1.007 12 N CA -0.345 52.227 53.050 -0.796 0.000 0.941 12 N CB 1.056 38.915 38.487 -1.047 0.000 1.115 12 N HN 0.787 nan 8.380 nan 0.000 0.492 13 H N 0.607 119.323 119.070 -0.591 0.000 3.046 13 H HA 0.475 5.030 4.556 -0.001 0.000 0.361 13 H C -1.722 173.458 175.328 -0.246 0.000 1.235 13 H CA -0.499 55.309 56.048 -0.400 0.000 1.146 13 H CB 1.377 30.953 29.762 -0.311 0.000 1.859 13 H HN 0.233 nan 8.280 nan 0.000 0.548 14 Q N 3.788 122.846 119.800 -1.236 0.000 2.268 14 Q HA 0.347 4.687 4.340 -0.001 0.000 0.266 14 Q C -2.900 172.425 176.000 -1.125 0.000 1.006 14 Q CA -2.237 52.889 55.803 -1.128 0.000 0.824 14 Q CB 2.805 30.768 28.738 -1.292 0.000 1.306 14 Q HN 0.493 nan 8.270 nan 0.000 0.424 15 P HA 0.000 nan 4.420 nan 0.000 0.269 15 P C -0.323 177.000 177.300 0.039 0.000 1.209 15 P CA -0.148 62.866 63.100 -0.144 0.000 0.776 15 P CB 0.805 32.478 31.700 -0.045 0.000 0.876 16 L N 2.170 123.513 121.223 0.199 0.000 2.513 16 L HA 0.101 4.440 4.340 -0.001 0.000 0.272 16 L C 1.675 178.657 176.870 0.187 0.000 1.187 16 L CA 1.440 56.437 54.840 0.263 0.000 0.895 16 L CB -0.632 41.597 42.059 0.283 0.000 1.147 16 L HN 0.890 nan 8.230 nan 0.000 0.483 17 G N 2.583 111.523 108.800 0.234 0.000 2.176 17 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.232 17 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.232 17 G C 0.298 175.325 174.900 0.212 0.000 0.986 17 G CA -0.046 45.169 45.100 0.193 0.000 0.643 17 G HN 0.623 nan 8.290 nan 0.000 0.522 18 N N 0.229 119.066 118.700 0.229 0.000 2.479 18 N HA 0.427 5.166 4.740 -0.001 0.000 0.257 18 N C 0.675 176.339 175.510 0.257 0.000 1.232 18 N CA -0.170 52.943 53.050 0.104 0.000 0.920 18 N CB -0.097 38.332 38.487 -0.097 0.000 1.105 18 N HN 0.215 nan 8.380 nan 0.000 0.444 19 F N 0.426 120.412 119.950 0.060 0.000 2.642 19 F HA -0.079 4.448 4.527 -0.001 0.000 0.371 19 F C 2.014 177.783 175.800 -0.052 0.000 1.120 19 F CA -0.220 57.711 58.000 -0.114 0.000 1.331 19 F CB 0.408 39.092 39.000 -0.527 0.000 1.044 19 F HN 0.657 nan 8.300 nan 0.000 0.594 20 G N 4.111 113.082 108.800 0.285 0.000 2.442 20 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.219 20 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.219 20 G C 1.285 176.376 174.900 0.318 0.000 1.141 20 G CA 0.581 45.846 45.100 0.274 0.000 0.763 20 G HN 0.955 nan 8.290 nan 0.000 0.554 21 W N 0.833 122.280 121.300 0.244 0.000 2.436 21 W HA 0.038 4.697 4.660 -0.001 0.000 0.284 21 W C 1.613 178.223 176.519 0.152 0.000 1.225 21 W CA 0.807 58.258 57.345 0.177 0.000 1.271 21 W CB -1.196 28.317 29.460 0.088 0.000 1.114 21 W HN 0.082 nan 8.180 nan 0.000 0.559 22 V N 1.711 121.285 119.914 -0.567 0.000 2.295 22 V HA -0.332 3.787 4.120 -0.001 0.000 0.246 22 V C 2.374 178.292 176.094 -0.292 0.000 1.049 22 V CA 2.254 64.212 62.300 -0.571 0.000 1.024 22 V CB -1.299 30.099 31.823 -0.708 0.000 0.648 22 V HN -0.073 nan 8.190 nan 0.000 0.447 23 F N 0.614 120.260 119.950 -0.507 0.000 2.091 23 F HA -0.216 4.311 4.527 -0.001 0.000 0.299 23 F C 2.489 177.853 175.800 -0.726 0.000 1.103 23 F CA 2.101 59.599 58.000 -0.836 0.000 1.228 23 F CB -0.625 37.320 39.000 -1.758 0.000 0.984 23 F HN 0.176 nan 8.300 nan 0.000 0.477 24 E N 0.661 120.793 120.200 -0.113 0.000 2.033 24 E HA -0.274 4.075 4.350 -0.001 0.000 0.199 24 E C 2.137 178.835 176.600 0.163 0.000 1.011 24 E CA 1.976 58.506 56.400 0.218 0.000 0.815 24 E CB -0.424 29.507 29.700 0.385 0.000 0.755 24 E HN 0.493 nan 8.360 nan 0.000 0.451 25 E N -0.506 119.756 120.200 0.104 0.000 2.038 25 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 25 E C 2.010 178.555 176.600 -0.093 0.000 1.000 25 E CA 1.356 57.780 56.400 0.041 0.000 0.803 25 E CB -0.418 29.333 29.700 0.086 0.000 0.750 25 E HN 0.330 nan 8.360 nan 0.000 0.448 26 A N 0.071 122.768 122.820 -0.206 0.000 1.986 26 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 26 A C 2.060 179.238 177.584 -0.677 0.000 1.171 26 A CA 1.745 53.500 52.037 -0.470 0.000 0.640 26 A CB -0.939 17.742 19.000 -0.531 0.000 0.811 26 A HN 0.644 nan 8.150 nan 0.000 0.451 27 Y N 1.119 121.195 120.300 -0.373 0.000 2.184 27 Y HA -0.134 4.416 4.550 -0.001 0.000 0.290 27 Y C 2.128 177.992 175.900 -0.060 0.000 1.129 27 Y CA 1.985 60.024 58.100 -0.101 0.000 1.144 27 Y CB -0.135 38.404 38.460 0.133 0.000 0.995 27 Y HN 0.336 nan 8.280 nan 0.000 0.513 28 N N -0.069 118.596 118.700 -0.059 0.000 2.300 28 N HA -0.075 4.664 4.740 -0.001 0.000 0.179 28 N C 1.470 176.872 175.510 -0.180 0.000 1.016 28 N CA 0.854 53.832 53.050 -0.120 0.000 0.876 28 N CB -0.130 38.368 38.487 0.018 0.000 0.979 28 N HN 0.339 nan 8.380 nan 0.000 0.432 29 R N -0.221 120.168 120.500 -0.184 0.000 2.276 29 R HA 0.201 4.540 4.340 -0.001 0.000 0.196 29 R C 1.449 177.773 176.300 0.040 0.000 0.961 29 R CA 0.254 56.287 56.100 -0.111 0.000 1.024 29 R CB 0.129 30.350 30.300 -0.131 0.000 0.940 29 R HN 0.160 nan 8.270 nan 0.000 0.480 30 S N -1.181 114.443 115.700 -0.127 0.000 4.403 30 S HA 0.097 4.566 4.470 -0.001 0.000 0.183 30 S C 1.549 176.212 174.600 0.105 0.000 1.070 30 S CA -0.420 57.798 58.200 0.030 0.000 1.145 30 S CB -0.575 62.576 63.200 -0.081 0.000 1.585 30 S HN 0.194 nan 8.310 nan 0.000 0.634 31 Y N 2.114 122.435 120.300 0.035 0.000 2.102 31 Y HA -0.184 4.365 4.550 -0.001 0.000 0.280 31 Y C 2.955 178.934 175.900 0.132 0.000 1.178 31 Y CA 1.593 59.745 58.100 0.087 0.000 1.146 31 Y CB -0.263 38.219 38.460 0.037 0.000 0.968 31 Y HN 0.211 nan 8.280 nan 0.000 0.504 32 R N 0.179 120.595 120.500 -0.141 0.000 2.055 32 R HA -0.081 4.258 4.340 -0.001 0.000 0.228 32 R C -0.753 175.589 176.300 0.071 0.000 1.143 32 R CA 1.270 57.288 56.100 -0.138 0.000 0.945 32 R CB -1.595 28.311 30.300 -0.658 0.000 0.841 32 R HN 0.220 nan 8.270 nan 0.000 0.429 33 P HA -0.165 nan 4.420 nan 0.000 0.214 33 P C 1.294 178.691 177.300 0.162 0.000 1.163 33 P CA 1.245 64.224 63.100 -0.202 0.000 0.889 33 P CB -0.354 30.737 31.700 -1.016 0.000 0.790 34 F N -0.409 119.686 119.950 0.242 0.000 2.063 34 F HA -0.276 4.251 4.527 -0.001 0.000 0.298 34 F C 2.062 178.059 175.800 0.329 0.000 1.109 34 F CA 1.798 60.026 58.000 0.380 0.000 1.212 34 F CB -0.495 38.710 39.000 0.342 0.000 0.973 34 F HN -0.211 nan 8.300 nan 0.000 0.480 35 M N 0.150 120.141 119.600 0.651 0.000 2.296 35 M HA -0.137 4.343 4.480 -0.001 0.000 0.265 35 M C 1.970 178.434 176.300 0.274 0.000 1.064 35 M CA 1.354 56.940 55.300 0.476 0.000 1.109 35 M CB -1.207 31.651 32.600 0.430 0.000 1.396 35 M HN 0.324 nan 8.290 nan 0.000 0.430 36 E N 0.346 120.686 120.200 0.234 0.000 2.047 36 E HA -0.118 4.232 4.350 -0.001 0.000 0.191 36 E C 2.061 178.752 176.600 0.152 0.000 0.987 36 E CA 1.033 57.528 56.400 0.159 0.000 0.799 36 E CB -0.067 29.704 29.700 0.119 0.000 0.752 36 E HN 0.454 nan 8.360 nan 0.000 0.449 37 I N 0.961 121.628 120.570 0.161 0.000 2.394 37 I HA -0.222 3.948 4.170 -0.001 0.000 0.251 37 I C 2.434 178.754 176.117 0.340 0.000 1.136 37 I CA 0.351 61.759 61.300 0.180 0.000 1.425 37 I CB -0.087 37.941 38.000 0.048 0.000 1.079 37 I HN 0.137 nan 8.210 nan 0.000 0.425 38 L N 0.904 122.318 121.223 0.319 0.000 2.083 38 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 38 L C 2.420 179.427 176.870 0.229 0.000 1.083 38 L CA 1.870 56.912 54.840 0.338 0.000 0.752 38 L CB -0.851 41.332 42.059 0.207 0.000 0.899 38 L HN 0.170 nan 8.230 nan 0.000 0.433 39 E N 0.374 120.678 120.200 0.174 0.000 2.160 39 E HA -0.259 4.090 4.350 -0.001 0.000 0.195 39 E C 1.901 178.540 176.600 0.065 0.000 0.991 39 E CA 1.556 58.017 56.400 0.101 0.000 0.810 39 E CB -0.019 29.730 29.700 0.082 0.000 0.742 39 E HN 0.710 nan 8.360 nan 0.000 0.466 40 E N -1.002 119.244 120.200 0.076 0.000 2.204 40 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 40 E C -0.035 176.369 176.600 -0.326 0.000 0.989 40 E CA 0.441 56.756 56.400 -0.141 0.000 0.824 40 E CB -0.060 29.499 29.700 -0.236 0.000 0.756 40 E HN 0.141 nan 8.360 nan 0.000 0.477 41 F N 0.152 120.107 119.950 0.009 0.000 2.363 41 F HA 0.280 4.806 4.527 -0.001 0.000 0.366 41 F C -1.920 173.835 175.800 -0.077 0.000 1.083 41 F CA -2.698 55.279 58.000 -0.038 0.000 1.176 41 F CB 1.402 40.375 39.000 -0.045 0.000 1.432 41 F HN -0.169 nan 8.300 nan 0.000 0.482 42 P HA -0.202 nan 4.420 nan 0.000 0.218 42 P C 0.992 178.295 177.300 0.005 0.000 1.146 42 P CA 1.579 64.690 63.100 0.019 0.000 0.820 42 P CB 0.236 31.934 31.700 -0.003 0.000 0.778 43 E N -1.883 118.324 120.200 0.011 0.000 2.371 43 E HA -0.023 4.326 4.350 -0.001 0.000 0.194 43 E C 0.718 177.266 176.600 -0.086 0.000 1.012 43 E CA 0.013 56.398 56.400 -0.027 0.000 0.860 43 E CB -0.257 29.430 29.700 -0.021 0.000 0.811 43 E HN 0.193 nan 8.360 nan 0.000 0.502 44 M N 1.985 121.505 119.600 -0.133 0.000 2.228 44 M HA 0.068 4.547 4.480 -0.001 0.000 0.351 44 M C -0.796 175.366 176.300 -0.230 0.000 1.233 44 M CA 0.410 55.527 55.300 -0.306 0.000 1.129 44 M CB 0.354 32.596 32.600 -0.598 0.000 1.604 44 M HN -0.327 nan 8.290 nan 0.000 0.457 45 K N 3.853 124.121 120.400 -0.220 0.000 2.376 45 K HA 0.708 5.027 4.320 -0.001 0.000 0.257 45 K C -1.571 174.969 176.600 -0.100 0.000 0.939 45 K CA -0.834 55.377 56.287 -0.125 0.000 0.809 45 K CB 1.957 34.404 32.500 -0.089 0.000 1.121 45 K HN 0.494 nan 8.250 nan 0.000 0.425 46 V N 2.631 122.528 119.914 -0.027 0.000 2.656 46 V HA 0.293 4.412 4.120 -0.001 0.000 0.307 46 V C -0.720 175.368 176.094 -0.009 0.000 1.051 46 V CA -1.081 61.264 62.300 0.075 0.000 0.893 46 V CB 2.012 33.990 31.823 0.258 0.000 0.999 46 V HN 0.751 nan 8.190 nan 0.000 0.426 47 N N 2.812 121.457 118.700 -0.092 0.000 2.501 47 N HA 0.440 5.180 4.740 -0.001 0.000 0.245 47 N C -1.049 174.397 175.510 -0.107 0.000 0.974 47 N CA -0.061 52.958 53.050 -0.052 0.000 0.941 47 N CB 2.417 40.929 38.487 0.043 0.000 1.122 47 N HN 0.427 nan 8.380 nan 0.000 0.507 48 V N 2.652 122.545 119.914 -0.035 0.000 2.628 48 V HA 0.314 4.433 4.120 -0.001 0.000 0.306 48 V C -0.999 175.090 176.094 -0.008 0.000 1.045 48 V CA -0.637 61.600 62.300 -0.106 0.000 0.905 48 V CB 1.771 33.480 31.823 -0.189 0.000 0.997 48 V HN 0.750 nan 8.190 nan 0.000 0.436 49 H N 5.701 124.644 119.070 -0.211 0.000 2.587 49 H HA 0.548 5.103 4.556 -0.001 0.000 0.325 49 H C -1.659 173.448 175.328 -0.367 0.000 1.012 49 H CA -0.712 55.239 56.048 -0.162 0.000 1.213 49 H CB 0.994 30.672 29.762 -0.140 0.000 1.431 49 H HN 0.523 nan 8.280 nan 0.000 0.492 50 F N 3.666 123.250 119.950 -0.611 0.000 2.411 50 F HA 0.266 4.792 4.527 -0.001 0.000 0.352 50 F C 0.609 175.922 175.800 -0.812 0.000 1.123 50 F CA -0.576 57.042 58.000 -0.636 0.000 1.044 50 F CB 1.427 40.226 39.000 -0.336 0.000 1.135 50 F HN 0.632 nan 8.300 nan 0.000 0.461 51 S N 1.890 117.232 115.700 -0.597 0.000 2.592 51 S HA 0.352 4.821 4.470 -0.001 0.000 0.271 51 S C 1.268 175.597 174.600 -0.451 0.000 1.326 51 S CA -0.299 57.678 58.200 -0.370 0.000 1.024 51 S CB 1.447 64.650 63.200 0.005 0.000 0.921 51 S HN 0.836 nan 8.310 nan 0.000 0.527 52 G N 2.023 110.338 108.800 -0.809 0.000 2.514 52 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.217 52 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.217 52 G C -1.015 173.450 174.900 -0.725 0.000 1.198 52 G CA 0.931 45.036 45.100 -1.658 0.000 0.780 52 G HN 0.670 nan 8.290 nan 0.000 0.565 53 P HA -0.115 nan 4.420 nan 0.000 0.216 53 P C 2.084 179.502 177.300 0.196 0.000 1.153 53 P CA 0.685 63.846 63.100 0.102 0.000 0.858 53 P CB -0.100 31.736 31.700 0.228 0.000 0.789 54 L N -0.883 120.383 121.223 0.072 0.000 2.056 54 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 54 L C 2.072 179.024 176.870 0.137 0.000 1.078 54 L CA 1.869 56.784 54.840 0.125 0.000 0.749 54 L CB -1.335 40.649 42.059 -0.125 0.000 0.901 54 L HN 0.012 nan 8.230 nan 0.000 0.433 55 L N -0.231 120.950 121.223 -0.069 0.000 2.201 55 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 55 L C 2.513 179.401 176.870 0.029 0.000 1.105 55 L CA 1.003 55.761 54.840 -0.137 0.000 0.775 55 L CB -0.188 41.545 42.059 -0.545 0.000 0.913 55 L HN 0.346 nan 8.230 nan 0.000 0.440 56 E N -1.216 119.038 120.200 0.090 0.000 2.107 56 E HA -0.242 4.107 4.350 -0.001 0.000 0.191 56 E C 1.842 178.541 176.600 0.164 0.000 0.982 56 E CA 1.069 57.581 56.400 0.187 0.000 0.809 56 E CB -0.104 29.736 29.700 0.234 0.000 0.756 56 E HN 0.510 nan 8.360 nan 0.000 0.459 57 W N 1.556 122.852 121.300 -0.008 0.000 2.379 57 W HA -0.142 4.517 4.660 -0.001 0.000 0.307 57 W C 1.798 178.272 176.519 -0.075 0.000 1.200 57 W CA 1.377 58.660 57.345 -0.103 0.000 1.297 57 W CB -0.144 29.226 29.460 -0.150 0.000 1.140 57 W HN -0.080 nan 8.180 nan 0.000 0.507 58 I N 0.399 121.143 120.570 0.291 0.000 2.127 58 I HA -0.331 3.838 4.170 -0.001 0.000 0.241 58 I C 2.438 178.525 176.117 -0.052 0.000 1.075 58 I CA 2.104 63.452 61.300 0.079 0.000 1.334 58 I CB -0.946 37.151 38.000 0.163 0.000 1.040 58 I HN 0.093 nan 8.210 nan 0.000 0.405 59 E N 0.771 121.002 120.200 0.051 0.000 2.209 59 E HA -0.297 4.052 4.350 -0.001 0.000 0.196 59 E C 1.935 178.507 176.600 -0.046 0.000 0.993 59 E CA 1.407 57.841 56.400 0.056 0.000 0.819 59 E CB 0.160 29.960 29.700 0.168 0.000 0.745 59 E HN 0.371 nan 8.360 nan 0.000 0.477 60 E N 0.376 120.496 120.200 -0.135 0.000 2.057 60 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 60 E C 1.614 178.022 176.600 -0.320 0.000 0.969 60 E CA 1.367 57.645 56.400 -0.203 0.000 0.812 60 E CB 0.017 29.581 29.700 -0.227 0.000 0.777 60 E HN 0.231 nan 8.360 nan 0.000 0.455 61 N N -0.109 118.248 118.700 -0.572 0.000 2.258 61 N HA -0.014 4.725 4.740 -0.001 0.000 0.183 61 N C 0.172 175.407 175.510 -0.460 0.000 1.029 61 N CA 0.687 53.341 53.050 -0.661 0.000 0.857 61 N CB 0.087 37.790 38.487 -1.307 0.000 1.008 61 N HN -0.083 nan 8.380 nan 0.000 0.433 62 K N 1.637 121.756 120.400 -0.469 0.000 2.847 62 K HA 0.231 4.550 4.320 -0.001 0.000 0.213 62 K C -1.813 174.762 176.600 -0.041 0.000 1.174 62 K CA -1.612 54.525 56.287 -0.250 0.000 1.095 62 K CB 1.229 33.460 32.500 -0.448 0.000 1.581 62 K HN 0.121 nan 8.250 nan 0.000 0.514 63 P HA -0.167 nan 4.420 nan 0.000 0.221 63 P C -0.102 177.246 177.300 0.081 0.000 1.145 63 P CA 1.192 64.307 63.100 0.026 0.000 0.795 63 P CB 0.450 32.145 31.700 -0.008 0.000 0.775 64 D N -1.552 118.909 120.400 0.102 0.000 2.269 64 D HA -0.153 4.486 4.640 -0.001 0.000 0.208 64 D C 1.828 178.238 176.300 0.184 0.000 0.963 64 D CA 0.652 54.724 54.000 0.121 0.000 0.864 64 D CB -0.896 39.976 40.800 0.119 0.000 0.936 64 D HN 0.148 nan 8.370 nan 0.000 0.505 65 Y N 1.287 121.654 120.300 0.112 0.000 2.165 65 Y HA -0.177 4.372 4.550 -0.001 0.000 0.286 65 Y C 1.736 177.683 175.900 0.078 0.000 1.155 65 Y CA 1.312 59.506 58.100 0.156 0.000 1.164 65 Y CB -0.246 38.367 38.460 0.255 0.000 0.978 65 Y HN -0.025 nan 8.280 nan 0.000 0.513 66 L N -0.462 120.837 121.223 0.126 0.000 2.131 66 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 66 L C 2.003 178.861 176.870 -0.019 0.000 1.092 66 L CA 1.462 56.312 54.840 0.017 0.000 0.759 66 L CB -0.626 41.476 42.059 0.071 0.000 0.903 66 L HN 0.225 nan 8.230 nan 0.000 0.435 67 D N 0.241 120.647 120.400 0.011 0.000 2.144 67 D HA -0.146 4.494 4.640 -0.001 0.000 0.200 67 D C 2.150 178.443 176.300 -0.012 0.000 0.978 67 D CA 0.992 54.997 54.000 0.008 0.000 0.833 67 D CB 0.063 40.880 40.800 0.027 0.000 0.961 67 D HN 0.192 nan 8.370 nan 0.000 0.470 68 L N 0.992 122.193 121.223 -0.036 0.000 2.083 68 L HA -0.103 4.236 4.340 -0.001 0.000 0.209 68 L C 2.133 178.950 176.870 -0.088 0.000 1.083 68 L CA 1.338 56.145 54.840 -0.055 0.000 0.752 68 L CB -0.563 41.449 42.059 -0.077 0.000 0.899 68 L HN -0.028 nan 8.230 nan 0.000 0.433 69 L N -0.983 120.143 121.223 -0.162 0.000 2.093 69 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 69 L C 2.715 179.571 176.870 -0.023 0.000 1.085 69 L CA 0.953 55.721 54.840 -0.119 0.000 0.755 69 L CB -0.535 41.406 42.059 -0.196 0.000 0.904 69 L HN 0.216 nan 8.230 nan 0.000 0.435 70 R N -0.544 119.949 120.500 -0.012 0.000 2.115 70 R HA -0.081 4.258 4.340 -0.001 0.000 0.230 70 R C 2.462 178.780 176.300 0.031 0.000 1.111 70 R CA 1.340 57.455 56.100 0.024 0.000 0.976 70 R CB -0.254 30.058 30.300 0.019 0.000 0.870 70 R HN 0.295 nan 8.270 nan 0.000 0.445 71 S N 1.259 116.970 115.700 0.018 0.000 2.345 71 S HA -0.022 4.448 4.470 -0.001 0.000 0.219 71 S C 2.011 176.630 174.600 0.032 0.000 1.031 71 S CA 0.821 59.036 58.200 0.024 0.000 0.984 71 S CB -0.170 63.041 63.200 0.018 0.000 0.874 71 S HN 0.182 nan 8.310 nan 0.000 0.451 72 L N 1.095 122.335 121.223 0.029 0.000 2.127 72 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 72 L C 2.182 179.083 176.870 0.052 0.000 1.089 72 L CA 1.121 55.984 54.840 0.040 0.000 0.757 72 L CB -0.652 41.435 42.059 0.046 0.000 0.899 72 L HN 0.305 nan 8.230 nan 0.000 0.434 73 I N -0.235 120.373 120.570 0.063 0.000 2.233 73 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 73 I C 2.661 178.846 176.117 0.115 0.000 1.093 73 I CA 1.247 62.608 61.300 0.103 0.000 1.380 73 I CB -0.251 37.830 38.000 0.136 0.000 1.067 73 I HN 0.194 nan 8.210 nan 0.000 0.413 74 K N 1.685 122.137 120.400 0.086 0.000 2.209 74 K HA -0.166 4.154 4.320 -0.001 0.000 0.204 74 K C 1.863 178.499 176.600 0.060 0.000 1.048 74 K CA 1.148 57.478 56.287 0.072 0.000 0.940 74 K CB 0.015 32.545 32.500 0.051 0.000 0.729 74 K HN 0.368 nan 8.250 nan 0.000 0.451 75 R N -0.999 119.532 120.500 0.053 0.000 2.356 75 R HA 0.163 4.503 4.340 -0.001 0.000 0.234 75 R C 0.687 177.014 176.300 0.044 0.000 0.929 75 R CA 0.535 56.659 56.100 0.041 0.000 1.084 75 R CB 0.069 30.387 30.300 0.029 0.000 1.105 75 R HN 0.157 nan 8.270 nan 0.000 0.515 76 G N 1.108 109.948 108.800 0.066 0.000 2.160 76 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.251 76 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.251 76 G C 0.544 175.473 174.900 0.047 0.000 1.008 76 G CA 0.532 45.675 45.100 0.072 0.000 0.724 76 G HN 0.531 nan 8.290 nan 0.000 0.514 77 Q N -1.282 118.540 119.800 0.037 0.000 2.352 77 Q HA 0.421 4.761 4.340 -0.001 0.000 0.212 77 Q C 0.788 176.794 176.000 0.010 0.000 0.888 77 Q CA 0.380 56.188 55.803 0.009 0.000 0.934 77 Q CB 0.648 29.391 28.738 0.009 0.000 1.093 77 Q HN 0.557 nan 8.270 nan 0.000 0.523 78 L N 1.266 122.499 121.223 0.016 0.000 2.406 78 L HA 0.388 4.727 4.340 -0.001 0.000 0.272 78 L C -0.871 175.890 176.870 -0.182 0.000 0.980 78 L CA -0.555 54.270 54.840 -0.025 0.000 0.831 78 L CB 2.201 44.273 42.059 0.021 0.000 1.253 78 L HN 0.002 nan 8.230 nan 0.000 0.406 79 E N 4.605 124.644 120.200 -0.269 0.000 2.133 79 E HA 0.396 4.745 4.350 -0.001 0.000 0.274 79 E C -0.946 175.357 176.600 -0.495 0.000 0.930 79 E CA -0.729 55.252 56.400 -0.698 0.000 0.770 79 E CB 1.243 30.811 29.700 -0.221 0.000 1.104 79 E HN 0.336 nan 8.360 nan 0.000 0.403 80 I N 5.086 125.222 120.570 -0.723 0.000 2.371 80 I HA 0.173 4.342 4.170 -0.001 0.000 0.290 80 I C -0.169 175.993 176.117 0.075 0.000 1.028 80 I CA -0.599 60.638 61.300 -0.105 0.000 1.345 80 I CB 0.920 38.975 38.000 0.091 0.000 1.407 80 I HN 0.422 nan 8.210 nan 0.000 0.501 81 V N 7.305 127.320 119.914 0.167 0.000 2.483 81 V HA 0.496 4.615 4.120 -0.001 0.000 0.295 81 V C 0.477 176.720 176.094 0.249 0.000 1.035 81 V CA -0.582 61.835 62.300 0.194 0.000 0.896 81 V CB 1.977 33.946 31.823 0.243 0.000 0.986 81 V HN 0.634 nan 8.190 nan 0.000 0.447 82 V N 1.925 121.931 119.914 0.153 0.000 3.485 82 V HA 1.130 5.249 4.120 -0.001 0.000 0.293 82 V C 0.122 176.221 176.094 0.009 0.000 1.253 82 V CA 0.114 62.525 62.300 0.185 0.000 0.991 82 V CB 1.391 33.315 31.823 0.168 0.000 1.252 82 V HN 1.493 nan 8.190 nan 0.000 0.473 83 A N -0.921 121.929 122.820 0.050 0.000 3.929 83 A HA 0.694 5.013 4.320 -0.001 0.000 0.264 83 A C 0.222 177.852 177.584 0.077 0.000 0.988 83 A CA -0.210 51.817 52.037 -0.016 0.000 0.553 83 A CB -0.203 18.708 19.000 -0.148 0.000 1.716 83 A HN 2.261 nan 8.150 nan 0.000 0.835 84 G N -0.470 108.372 108.800 0.071 0.000 2.358 84 G HA2 0.449 4.408 3.960 -0.001 0.000 0.273 84 G HA3 0.449 4.408 3.960 -0.001 0.000 0.273 84 G C 0.473 175.476 174.900 0.172 0.000 1.215 84 G CA 0.435 45.612 45.100 0.127 0.000 0.910 84 G HN 1.088 nan 8.290 nan 0.000 0.467 85 F N 3.085 123.067 119.950 0.054 0.000 2.045 85 F HA -0.249 4.277 4.527 -0.001 0.000 0.297 85 F C 1.708 177.416 175.800 -0.153 0.000 1.114 85 F CA 1.736 59.693 58.000 -0.072 0.000 1.207 85 F CB -0.089 38.809 39.000 -0.169 0.000 0.964 85 F HN 0.544 nan 8.300 nan 0.000 0.486 86 Y N 0.725 121.193 120.300 0.279 0.000 2.506 86 Y HA 0.188 4.737 4.550 -0.001 0.000 0.333 86 Y C 0.663 176.649 175.900 0.144 0.000 1.177 86 Y CA 0.375 58.590 58.100 0.193 0.000 1.292 86 Y CB -0.947 37.676 38.460 0.273 0.000 1.124 86 Y HN 0.148 nan 8.280 nan 0.000 0.507 87 E N 0.432 120.716 120.200 0.140 0.000 2.230 87 E HA -0.194 4.155 4.350 -0.001 0.000 0.206 87 E C -2.789 173.877 176.600 0.110 0.000 1.309 87 E CA -0.033 56.409 56.400 0.071 0.000 0.697 87 E CB -0.627 28.996 29.700 -0.128 0.000 1.146 87 E HN 0.288 nan 8.360 nan 0.000 0.363 88 P HA 0.212 nan 4.420 nan 0.000 0.285 88 P C -0.395 176.877 177.300 -0.048 0.000 1.269 88 P CA -0.649 62.504 63.100 0.088 0.000 0.844 88 P CB 1.426 33.194 31.700 0.114 0.000 1.094 89 V N 4.121 123.935 119.914 -0.167 0.000 2.397 89 V HA -0.058 4.061 4.120 -0.001 0.000 0.262 89 V C 1.991 177.949 176.094 -0.226 0.000 1.047 89 V CA 0.084 62.147 62.300 -0.395 0.000 1.003 89 V CB -0.206 31.027 31.823 -0.984 0.000 1.037 89 V HN 0.472 nan 8.190 nan 0.000 0.480 90 L N 5.428 126.545 121.223 -0.176 0.000 2.089 90 L HA -0.203 4.137 4.340 -0.001 0.000 0.213 90 L C 2.439 179.241 176.870 -0.113 0.000 1.079 90 L CA 2.461 57.232 54.840 -0.116 0.000 0.758 90 L CB -1.078 40.906 42.059 -0.125 0.000 0.891 90 L HN 0.742 nan 8.230 nan 0.000 0.433 91 A N -1.599 121.123 122.820 -0.163 0.000 2.239 91 A HA 0.215 4.534 4.320 -0.001 0.000 0.209 91 A C 1.982 179.567 177.584 0.001 0.000 1.171 91 A CA 1.065 53.031 52.037 -0.118 0.000 0.768 91 A CB -0.546 18.354 19.000 -0.167 0.000 0.790 91 A HN 0.340 nan 8.150 nan 0.000 0.478 92 A N -0.197 122.642 122.820 0.032 0.000 2.465 92 A HA 0.563 4.883 4.320 -0.001 0.000 0.255 92 A C 0.537 178.266 177.584 0.241 0.000 1.274 92 A CA -0.076 52.081 52.037 0.201 0.000 0.920 92 A CB -0.480 18.717 19.000 0.327 0.000 1.033 92 A HN 0.772 nan 8.150 nan 0.000 0.516 93 I N -4.450 116.189 120.570 0.114 0.000 2.934 93 I HA 0.641 4.810 4.170 -0.001 0.000 0.306 93 I C -3.189 172.954 176.117 0.042 0.000 1.110 93 I CA -3.115 58.233 61.300 0.079 0.000 1.019 93 I CB 1.823 39.854 38.000 0.052 0.000 1.227 93 I HN -0.238 nan 8.210 nan 0.000 0.434 94 P HA 0.042 nan 4.420 nan 0.000 0.265 94 P C 0.043 177.346 177.300 0.005 0.000 1.187 94 P CA -0.170 62.937 63.100 0.010 0.000 0.766 94 P CB 0.551 32.250 31.700 -0.002 0.000 0.820 95 K N 2.101 122.500 120.400 -0.002 0.000 2.152 95 K HA -0.234 4.085 4.320 -0.001 0.000 0.206 95 K C 1.056 177.654 176.600 -0.003 0.000 1.048 95 K CA 1.703 57.985 56.287 -0.010 0.000 0.933 95 K CB -0.373 32.118 32.500 -0.016 0.000 0.721 95 K HN 0.257 nan 8.250 nan 0.000 0.447 96 E N 1.418 121.618 120.200 0.000 0.000 2.072 96 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 96 E C 1.595 178.201 176.600 0.010 0.000 0.985 96 E CA 1.534 57.936 56.400 0.003 0.000 0.801 96 E CB -0.123 29.577 29.700 0.000 0.000 0.750 96 E HN 0.366 nan 8.360 nan 0.000 0.452 97 D N -0.068 120.340 120.400 0.013 0.000 2.224 97 D HA -0.045 4.594 4.640 -0.001 0.000 0.205 97 D C 1.753 178.077 176.300 0.041 0.000 0.965 97 D CA 0.554 54.571 54.000 0.028 0.000 0.852 97 D CB -0.069 40.748 40.800 0.028 0.000 0.947 97 D HN 0.103 nan 8.370 nan 0.000 0.494 98 R N 0.291 120.807 120.500 0.026 0.000 2.091 98 R HA -0.066 4.274 4.340 -0.001 0.000 0.238 98 R C 2.424 178.743 176.300 0.032 0.000 1.136 98 R CA 0.589 56.703 56.100 0.023 0.000 0.959 98 R CB -0.458 29.839 30.300 -0.005 0.000 0.856 98 R HN 0.198 nan 8.270 nan 0.000 0.437 99 L N 0.606 121.843 121.223 0.024 0.000 1.994 99 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 99 L C 2.191 179.085 176.870 0.039 0.000 1.071 99 L CA 1.332 56.188 54.840 0.026 0.000 0.745 99 L CB -0.164 41.906 42.059 0.017 0.000 0.892 99 L HN 0.038 nan 8.230 nan 0.000 0.431 100 V N -0.517 119.421 119.914 0.040 0.000 2.407 100 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 100 V C 2.529 178.669 176.094 0.076 0.000 1.055 100 V CA 1.493 63.820 62.300 0.044 0.000 1.049 100 V CB -0.589 31.254 31.823 0.033 0.000 0.662 100 V HN 0.512 nan 8.190 nan 0.000 0.455 101 Q N -0.444 119.421 119.800 0.107 0.000 2.084 101 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 101 Q C 2.270 178.375 176.000 0.174 0.000 0.978 101 Q CA 1.764 57.672 55.803 0.176 0.000 0.844 101 Q CB -0.195 28.649 28.738 0.177 0.000 0.898 101 Q HN 0.611 nan 8.270 nan 0.000 0.426 102 I N 0.368 121.008 120.570 0.116 0.000 2.277 102 I HA -0.213 3.956 4.170 -0.001 0.000 0.243 102 I C 2.369 178.554 176.117 0.113 0.000 1.094 102 I CA 0.896 62.262 61.300 0.110 0.000 1.393 102 I CB -0.215 37.823 38.000 0.063 0.000 1.078 102 I HN 0.110 nan 8.210 nan 0.000 0.417 103 E N 1.357 121.606 120.200 0.082 0.000 2.160 103 E HA -0.240 4.110 4.350 -0.001 0.000 0.195 103 E C 2.141 178.786 176.600 0.076 0.000 0.991 103 E CA 1.657 58.099 56.400 0.069 0.000 0.810 103 E CB -0.208 29.518 29.700 0.043 0.000 0.742 103 E HN 0.350 nan 8.360 nan 0.000 0.466 104 M N -0.747 118.891 119.600 0.064 0.000 2.067 104 M HA -0.149 4.331 4.480 -0.001 0.000 0.260 104 M C 1.987 178.372 176.300 0.142 0.000 1.069 104 M CA 1.238 56.532 55.300 -0.010 0.000 1.117 104 M CB -0.280 32.203 32.600 -0.196 0.000 1.334 104 M HN 0.227 nan 8.290 nan 0.000 0.407 105 L N 0.250 121.672 121.223 0.333 0.000 2.291 105 L HA -0.102 4.237 4.340 -0.001 0.000 0.214 105 L C 2.133 179.191 176.870 0.312 0.000 1.120 105 L CA 1.743 56.853 54.840 0.451 0.000 0.799 105 L CB -0.620 41.668 42.059 0.382 0.000 0.925 105 L HN 0.158 nan 8.230 nan 0.000 0.446 106 K N -0.860 119.672 120.400 0.220 0.000 2.062 106 K HA -0.184 4.135 4.320 -0.001 0.000 0.205 106 K C 1.972 178.678 176.600 0.176 0.000 1.051 106 K CA 1.437 57.832 56.287 0.180 0.000 0.941 106 K CB -0.158 32.416 32.500 0.123 0.000 0.719 106 K HN 0.400 nan 8.250 nan 0.000 0.440 107 D N -0.543 119.948 120.400 0.152 0.000 2.117 107 D HA -0.196 4.444 4.640 -0.001 0.000 0.198 107 D C 1.751 178.136 176.300 0.142 0.000 0.982 107 D CA 0.974 55.039 54.000 0.109 0.000 0.828 107 D CB -0.007 40.828 40.800 0.058 0.000 0.967 107 D HN 0.280 nan 8.370 nan 0.000 0.464 108 Y N 1.220 121.582 120.300 0.104 0.000 2.181 108 Y HA -0.190 4.359 4.550 -0.001 0.000 0.288 108 Y C 2.411 178.388 175.900 0.129 0.000 1.146 108 Y CA 1.988 60.165 58.100 0.129 0.000 1.164 108 Y CB -0.180 38.421 38.460 0.235 0.000 0.982 108 Y HN 0.034 nan 8.280 nan 0.000 0.515 109 A N 0.241 123.308 122.820 0.411 0.000 1.933 109 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 109 A C 2.260 179.989 177.584 0.241 0.000 1.175 109 A CA 1.761 53.999 52.037 0.336 0.000 0.628 109 A CB -0.725 18.468 19.000 0.322 0.000 0.814 109 A HN 0.526 nan 8.150 nan 0.000 0.444 110 R N -0.174 120.430 120.500 0.173 0.000 2.115 110 R HA -0.072 4.267 4.340 -0.001 0.000 0.230 110 R C 1.813 178.148 176.300 0.059 0.000 1.111 110 R CA 1.451 57.614 56.100 0.104 0.000 0.976 110 R CB -0.156 30.184 30.300 0.068 0.000 0.870 110 R HN 0.505 nan 8.270 nan 0.000 0.445 111 K N 0.062 120.473 120.400 0.018 0.000 2.283 111 K HA -0.056 4.263 4.320 -0.001 0.000 0.202 111 K C 1.620 178.207 176.600 -0.023 0.000 1.048 111 K CA 0.743 56.996 56.287 -0.056 0.000 0.948 111 K CB 0.142 32.518 32.500 -0.206 0.000 0.742 111 K HN 0.250 nan 8.250 nan 0.000 0.458 112 L N -0.717 120.536 121.223 0.050 0.000 2.567 112 L HA 0.103 4.443 4.340 -0.001 0.000 0.225 112 L C 1.129 178.060 176.870 0.102 0.000 1.119 112 L CA 0.415 55.303 54.840 0.079 0.000 0.871 112 L CB 0.235 42.377 42.059 0.138 0.000 1.036 112 L HN 0.431 nan 8.230 nan 0.000 0.459 113 G N -0.888 107.977 108.800 0.109 0.000 2.184 113 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.206 113 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.206 113 G C -0.221 174.778 174.900 0.165 0.000 0.995 113 G CA -0.510 44.656 45.100 0.111 0.000 0.651 113 G HN 0.220 nan 8.290 nan 0.000 0.511 114 Y N 1.413 121.760 120.300 0.079 0.000 2.364 114 Y HA 0.585 5.135 4.550 -0.001 0.000 0.340 114 Y C -0.506 175.452 175.900 0.097 0.000 0.975 114 Y CA -1.269 56.888 58.100 0.094 0.000 1.089 114 Y CB 1.913 40.444 38.460 0.118 0.000 1.192 114 Y HN 0.049 nan 8.280 nan 0.000 0.454 115 D N 5.058 125.188 120.400 -0.451 0.000 2.483 115 D HA 0.283 4.923 4.640 -0.001 0.000 0.220 115 D C -0.500 175.720 176.300 -0.133 0.000 1.173 115 D CA -0.054 53.817 54.000 -0.215 0.000 0.964 115 D CB 0.005 40.674 40.800 -0.218 0.000 1.046 115 D HN 0.685 nan 8.370 nan 0.000 0.517 116 A N 3.950 126.890 122.820 0.201 0.000 2.520 116 A HA 0.177 4.497 4.320 -0.001 0.000 0.245 116 A C 1.056 178.750 177.584 0.183 0.000 1.072 116 A CA 0.069 52.315 52.037 0.347 0.000 0.761 116 A CB 0.475 19.655 19.000 0.299 0.000 1.004 116 A HN 0.494 nan 8.150 nan 0.000 0.499 117 K N 1.710 122.229 120.400 0.198 0.000 2.450 117 K HA 0.167 4.486 4.320 -0.001 0.000 0.206 117 K C 0.780 177.230 176.600 -0.250 0.000 1.148 117 K CA 0.871 57.209 56.287 0.084 0.000 1.014 117 K CB 1.049 33.691 32.500 0.237 0.000 0.966 117 K HN 0.767 nan 8.250 nan 0.000 0.566 118 G N 0.534 109.050 108.800 -0.473 0.000 2.489 118 G HA2 0.575 4.534 3.960 -0.001 0.000 0.327 118 G HA3 0.575 4.534 3.960 -0.001 0.000 0.327 118 G C -1.087 173.515 174.900 -0.497 0.000 1.189 118 G CA -0.332 44.020 45.100 -1.247 0.000 0.962 118 G HN -0.112 nan 8.290 nan 0.000 0.486 119 V N 0.824 120.470 119.914 -0.447 0.000 2.876 119 V HA 0.572 4.691 4.120 -0.001 0.000 0.312 119 V C -1.154 174.845 176.094 -0.158 0.000 1.085 119 V CA -0.906 61.272 62.300 -0.204 0.000 0.945 119 V CB 2.406 34.141 31.823 -0.146 0.000 1.017 119 V HN 0.806 nan 8.190 nan 0.000 0.428 120 W N 5.681 126.745 121.300 -0.394 0.000 2.478 120 W HA 0.558 5.218 4.660 -0.001 0.000 0.318 120 W C -1.467 174.818 176.519 -0.390 0.000 1.062 120 W CA -0.975 56.092 57.345 -0.463 0.000 1.210 120 W CB 1.487 30.550 29.460 -0.662 0.000 1.325 120 W HN 0.452 nan 8.180 nan 0.000 0.496 121 L N 6.707 127.337 121.223 -0.989 0.000 2.407 121 L HA 0.062 4.402 4.340 -0.001 0.000 0.282 121 L C 0.911 177.296 176.870 -0.809 0.000 1.110 121 L CA 0.183 54.592 54.840 -0.719 0.000 0.863 121 L CB 0.432 42.167 42.059 -0.540 0.000 1.207 121 L HN 0.330 nan 8.230 nan 0.000 0.454 122 T N 3.837 118.157 114.554 -0.390 0.000 2.908 122 T HA -0.046 4.304 4.350 -0.001 0.000 0.301 122 T C 0.786 175.355 174.700 -0.219 0.000 1.019 122 T CA -0.084 61.913 62.100 -0.172 0.000 1.152 122 T CB 0.324 69.138 68.868 -0.090 0.000 0.966 122 T HN 0.593 nan 8.240 nan 0.000 0.540 123 E N 1.695 121.872 120.200 -0.039 0.000 3.146 123 E HA -0.256 4.093 4.350 -0.001 0.000 0.277 123 E C 0.877 177.482 176.600 0.007 0.000 1.003 123 E CA 0.717 57.140 56.400 0.038 0.000 0.861 123 E CB -0.805 28.760 29.700 -0.225 0.000 1.436 123 E HN 0.732 nan 8.360 nan 0.000 0.455 124 R N -2.895 117.506 120.500 -0.164 0.000 4.000 124 R HA -0.180 4.159 4.340 -0.001 0.000 0.362 124 R C -0.163 176.154 176.300 0.028 0.000 1.183 124 R CA 1.095 57.136 56.100 -0.098 0.000 1.011 124 R CB -2.541 27.864 30.300 0.175 0.000 1.501 124 R HN 0.158 nan 8.270 nan 0.000 0.553 125 V N 1.307 121.139 119.914 -0.137 0.000 2.446 125 V HA 0.089 4.208 4.120 -0.001 0.000 0.276 125 V C 0.595 176.688 176.094 -0.001 0.000 1.030 125 V CA -0.118 62.115 62.300 -0.113 0.000 1.033 125 V CB 0.551 32.148 31.823 -0.377 0.000 0.993 125 V HN 0.276 nan 8.190 nan 0.000 0.477 126 W N 6.288 127.565 121.300 -0.037 0.000 2.573 126 W HA 0.529 5.188 4.660 -0.001 0.000 0.326 126 W C -0.858 175.634 176.519 -0.046 0.000 1.049 126 W CA -0.679 56.623 57.345 -0.071 0.000 1.220 126 W CB 1.685 31.103 29.460 -0.070 0.000 1.373 126 W HN 0.502 nan 8.180 nan 0.000 0.507 127 Q N 6.654 125.811 119.800 -1.071 0.000 2.315 127 Q HA 0.159 4.498 4.340 -0.001 0.000 0.273 127 Q C -1.707 173.603 176.000 -1.150 0.000 1.053 127 Q CA -1.678 53.670 55.803 -0.757 0.000 0.817 127 Q CB 3.372 31.875 28.738 -0.391 0.000 1.326 127 Q HN 0.259 nan 8.270 nan 0.000 0.423 128 P HA -0.272 nan 4.420 nan 0.000 0.216 128 P C 0.891 178.027 177.300 -0.273 0.000 1.150 128 P CA 1.646 64.597 63.100 -0.248 0.000 0.843 128 P CB 0.253 31.973 31.700 0.033 0.000 0.787 129 E N 0.713 120.755 120.200 -0.263 0.000 2.331 129 E HA -0.157 4.193 4.350 -0.001 0.000 0.199 129 E C 2.086 178.554 176.600 -0.221 0.000 1.008 129 E CA 0.810 57.100 56.400 -0.183 0.000 0.843 129 E CB -1.309 28.305 29.700 -0.143 0.000 0.761 129 E HN 0.343 nan 8.360 nan 0.000 0.507 130 L N 0.883 121.864 121.223 -0.404 0.000 2.265 130 L HA -0.119 4.220 4.340 -0.001 0.000 0.215 130 L C 2.542 179.314 176.870 -0.164 0.000 1.117 130 L CA 0.507 55.136 54.840 -0.353 0.000 0.782 130 L CB -0.404 41.294 42.059 -0.602 0.000 0.914 130 L HN 0.001 nan 8.230 nan 0.000 0.441 131 V N 0.238 120.101 119.914 -0.085 0.000 2.343 131 V HA -0.293 3.826 4.120 -0.001 0.000 0.247 131 V C 2.607 178.719 176.094 0.031 0.000 1.051 131 V CA 1.984 64.326 62.300 0.070 0.000 1.036 131 V CB -0.498 31.404 31.823 0.132 0.000 0.654 131 V HN 0.394 nan 8.190 nan 0.000 0.451 132 K N 0.952 121.351 120.400 -0.003 0.000 2.025 132 K HA -0.114 4.205 4.320 -0.001 0.000 0.207 132 K C 2.273 178.870 176.600 -0.005 0.000 1.049 132 K CA 2.065 58.352 56.287 -0.000 0.000 0.933 132 K CB -0.704 31.790 32.500 -0.011 0.000 0.714 132 K HN 0.423 nan 8.250 nan 0.000 0.438 133 S N 0.834 116.519 115.700 -0.025 0.000 2.368 133 S HA -0.090 4.379 4.470 -0.001 0.000 0.225 133 S C 1.892 176.487 174.600 -0.007 0.000 1.030 133 S CA 1.467 59.654 58.200 -0.021 0.000 0.999 133 S CB -0.387 62.787 63.200 -0.043 0.000 0.844 133 S HN 0.245 nan 8.310 nan 0.000 0.459 134 L N 0.981 122.201 121.223 -0.005 0.000 2.027 134 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 134 L C 2.798 179.683 176.870 0.024 0.000 1.074 134 L CA 1.036 55.882 54.840 0.010 0.000 0.745 134 L CB -0.444 41.632 42.059 0.028 0.000 0.898 134 L HN 0.157 nan 8.230 nan 0.000 0.433 135 R N 0.462 120.983 120.500 0.034 0.000 2.096 135 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 135 R C 2.018 178.336 176.300 0.030 0.000 1.127 135 R CA 1.206 57.330 56.100 0.040 0.000 0.968 135 R CB -0.625 29.701 30.300 0.043 0.000 0.861 135 R HN 0.543 nan 8.270 nan 0.000 0.440 136 E N 0.480 120.693 120.200 0.021 0.000 2.110 136 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 136 E C 1.564 178.177 176.600 0.021 0.000 0.988 136 E CA 1.170 57.581 56.400 0.018 0.000 0.804 136 E CB -0.059 29.648 29.700 0.011 0.000 0.745 136 E HN 0.283 nan 8.360 nan 0.000 0.458 137 A N 0.298 123.131 122.820 0.022 0.000 2.238 137 A HA 0.243 4.562 4.320 -0.001 0.000 0.208 137 A C 1.663 179.265 177.584 0.031 0.000 1.177 137 A CA 0.794 52.846 52.037 0.026 0.000 0.804 137 A CB -0.351 18.665 19.000 0.026 0.000 0.823 137 A HN 0.338 nan 8.150 nan 0.000 0.482 138 G N -0.941 107.879 108.800 0.032 0.000 2.159 138 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.256 138 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.256 138 G C 0.019 174.943 174.900 0.040 0.000 0.977 138 G CA 0.156 45.279 45.100 0.038 0.000 0.652 138 G HN 0.329 nan 8.290 nan 0.000 0.531 139 I N 0.832 121.418 120.570 0.027 0.000 2.575 139 I HA 0.264 4.434 4.170 -0.001 0.000 0.285 139 I C 1.186 177.328 176.117 0.042 0.000 1.085 139 I CA 0.028 61.329 61.300 0.002 0.000 1.403 139 I CB 0.969 38.950 38.000 -0.031 0.000 1.409 139 I HN 0.290 nan 8.210 nan 0.000 0.557 140 E N 4.641 124.875 120.200 0.057 0.000 2.490 140 E HA 0.083 4.432 4.350 -0.001 0.000 0.209 140 E C -0.995 175.777 176.600 0.286 0.000 0.971 140 E CA 0.194 56.703 56.400 0.181 0.000 0.988 140 E CB 0.737 30.589 29.700 0.254 0.000 1.029 140 E HN 0.660 nan 8.360 nan 0.000 0.496 141 Y N -2.493 117.889 120.300 0.137 0.000 2.624 141 Y HA 0.608 5.157 4.550 -0.001 0.000 0.334 141 Y C -1.570 174.370 175.900 0.067 0.000 1.155 141 Y CA -1.517 56.666 58.100 0.139 0.000 1.046 141 Y CB 1.086 39.696 38.460 0.250 0.000 1.316 141 Y HN -0.242 nan 8.280 nan 0.000 0.457 142 V N 2.768 122.827 119.914 0.241 0.000 2.789 142 V HA 0.755 4.875 4.120 -0.001 0.000 0.311 142 V C -1.559 174.596 176.094 0.102 0.000 1.073 142 V CA -0.860 61.477 62.300 0.062 0.000 0.921 142 V CB 2.087 33.925 31.823 0.026 0.000 1.009 142 V HN 0.862 nan 8.190 nan 0.000 0.426 143 V N 7.046 126.931 119.914 -0.049 0.000 2.385 143 V HA 0.572 4.692 4.120 -0.001 0.000 0.269 143 V C -0.073 175.880 176.094 -0.236 0.000 1.043 143 V CA 0.013 62.268 62.300 -0.075 0.000 0.906 143 V CB 1.266 33.020 31.823 -0.114 0.000 0.995 143 V HN 0.907 nan 8.190 nan 0.000 0.467 144 V N 1.369 121.213 119.914 -0.116 0.000 2.876 144 V HA 0.651 4.770 4.120 -0.001 0.000 0.312 144 V C -0.503 175.607 176.094 0.027 0.000 1.085 144 V CA -1.032 61.135 62.300 -0.223 0.000 0.945 144 V CB 2.179 33.740 31.823 -0.436 0.000 1.017 144 V HN 0.653 nan 8.190 nan 0.000 0.428 145 D N 2.905 123.366 120.400 0.102 0.000 2.372 145 D HA 0.097 4.736 4.640 -0.001 0.000 0.243 145 D C 0.504 177.052 176.300 0.414 0.000 1.121 145 D CA 0.524 54.682 54.000 0.263 0.000 0.898 145 D CB 1.732 42.714 40.800 0.303 0.000 1.202 145 D HN 0.940 nan 8.370 nan 0.000 0.428 146 D N 0.763 121.329 120.400 0.276 0.000 2.351 146 D HA -0.254 4.385 4.640 -0.001 0.000 0.216 146 D C 1.685 178.180 176.300 0.325 0.000 0.968 146 D CA 0.688 54.841 54.000 0.254 0.000 0.899 146 D CB -0.495 40.312 40.800 0.012 0.000 0.907 146 D HN 0.515 nan 8.370 nan 0.000 0.514 147 Y N 1.331 121.744 120.300 0.188 0.000 2.102 147 Y HA -0.354 4.195 4.550 -0.001 0.000 0.280 147 Y C 1.848 177.771 175.900 0.039 0.000 1.178 147 Y CA 2.149 60.302 58.100 0.089 0.000 1.146 147 Y CB -0.589 37.906 38.460 0.058 0.000 0.968 147 Y HN 0.071 nan 8.280 nan 0.000 0.504 148 H N -1.393 117.702 119.070 0.041 0.000 2.321 148 H HA -0.124 4.431 4.556 -0.001 0.000 0.300 148 H C 1.968 177.132 175.328 -0.274 0.000 1.087 148 H CA 2.286 58.211 56.048 -0.205 0.000 1.319 148 H CB -0.969 28.614 29.762 -0.298 0.000 1.379 148 H HN 0.366 nan 8.280 nan 0.000 0.501 149 F N 0.251 120.162 119.950 -0.065 0.000 2.126 149 F HA -0.216 4.310 4.527 -0.001 0.000 0.299 149 F C 2.519 178.224 175.800 -0.158 0.000 1.096 149 F CA 1.262 59.163 58.000 -0.166 0.000 1.255 149 F CB -0.469 38.401 39.000 -0.215 0.000 0.997 149 F HN 0.109 nan 8.300 nan 0.000 0.479 150 M N -1.056 118.572 119.600 0.046 0.000 2.229 150 M HA -0.170 4.310 4.480 -0.001 0.000 0.264 150 M C 2.208 178.433 176.300 -0.125 0.000 1.063 150 M CA 1.274 56.543 55.300 -0.052 0.000 1.114 150 M CB -0.655 31.904 32.600 -0.068 0.000 1.387 150 M HN -0.018 nan 8.290 nan 0.000 0.420 151 S N 0.789 116.363 115.700 -0.210 0.000 2.419 151 S HA -0.036 4.434 4.470 -0.001 0.000 0.233 151 S C 1.963 176.502 174.600 -0.103 0.000 1.016 151 S CA 1.236 59.302 58.200 -0.224 0.000 0.974 151 S CB -0.227 62.750 63.200 -0.371 0.000 0.786 151 S HN 0.566 nan 8.310 nan 0.000 0.492 152 A N 0.089 122.853 122.820 -0.094 0.000 2.169 152 A HA 0.479 4.798 4.320 -0.001 0.000 0.212 152 A C 1.668 179.249 177.584 -0.004 0.000 1.153 152 A CA 1.044 53.050 52.037 -0.052 0.000 0.756 152 A CB -0.392 18.552 19.000 -0.094 0.000 0.813 152 A HN 0.789 nan 8.150 nan 0.000 0.471 153 G N -2.111 106.690 108.800 0.002 0.000 2.205 153 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.180 153 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.180 153 G C -0.013 174.902 174.900 0.025 0.000 1.004 153 G CA -0.073 45.050 45.100 0.039 0.000 0.670 153 G HN 0.210 nan 8.290 nan 0.000 0.496 154 L N 1.992 123.218 121.223 0.006 0.000 2.453 154 L HA 0.594 4.934 4.340 -0.001 0.000 0.261 154 L C 1.320 178.190 176.870 0.000 0.000 1.179 154 L CA 0.659 55.503 54.840 0.007 0.000 0.813 154 L CB 1.100 43.155 42.059 -0.008 0.000 1.110 154 L HN 0.555 nan 8.230 nan 0.000 0.466 155 S N 0.864 116.572 115.700 0.013 0.000 2.651 155 S HA 0.287 4.756 4.470 -0.001 0.000 0.291 155 S C 0.719 175.319 174.600 0.000 0.000 1.141 155 S CA -0.729 57.477 58.200 0.011 0.000 1.027 155 S CB 2.212 65.434 63.200 0.038 0.000 1.043 155 S HN 0.517 nan 8.310 nan 0.000 0.530 156 K N 0.952 121.347 120.400 -0.008 0.000 2.113 156 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 156 K C 1.657 178.244 176.600 -0.022 0.000 1.047 156 K CA 1.739 57.993 56.287 -0.056 0.000 0.928 156 K CB -0.479 32.031 32.500 0.015 0.000 0.716 156 K HN 0.685 nan 8.250 nan 0.000 0.446 157 E N 0.518 120.813 120.200 0.158 0.000 2.265 157 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 157 E C 1.260 178.107 176.600 0.411 0.000 0.996 157 E CA 1.069 57.669 56.400 0.334 0.000 0.832 157 E CB -0.035 29.818 29.700 0.255 0.000 0.756 157 E HN 0.573 nan 8.360 nan 0.000 0.491 158 E N -0.049 120.297 120.200 0.244 0.000 2.474 158 E HA 0.088 4.437 4.350 -0.001 0.000 0.194 158 E C 1.032 177.858 176.600 0.376 0.000 1.041 158 E CA -0.074 56.516 56.400 0.317 0.000 0.874 158 E CB 0.220 30.039 29.700 0.198 0.000 0.914 158 E HN 0.160 nan 8.360 nan 0.000 0.498 159 L N 0.656 121.885 121.223 0.009 0.000 2.737 159 L HA 0.216 4.556 4.340 -0.001 0.000 0.236 159 L C 0.130 176.722 176.870 -0.464 0.000 1.219 159 L CA -0.003 54.677 54.840 -0.267 0.000 1.021 159 L CB -0.144 41.613 42.059 -0.502 0.000 1.291 159 L HN 0.085 nan 8.230 nan 0.000 0.470 160 F N -0.234 119.761 119.950 0.075 0.000 2.923 160 F HA 0.285 4.811 4.527 -0.001 0.000 0.314 160 F C 0.136 175.455 175.800 -0.801 0.000 1.196 160 F CA -0.376 57.340 58.000 -0.474 0.000 1.320 160 F CB 0.381 38.897 39.000 -0.807 0.000 0.953 160 F HN 0.086 nan 8.300 nan 0.000 0.505 161 W N 0.941 122.218 121.300 -0.038 0.000 3.248 161 W HA 0.243 4.902 4.660 -0.001 0.000 0.311 161 W C -2.737 173.619 176.519 -0.273 0.000 1.258 161 W CA -1.602 55.651 57.345 -0.154 0.000 1.191 161 W CB 1.575 30.915 29.460 -0.200 0.000 1.389 161 W HN -0.286 nan 8.180 nan 0.000 0.561 162 P HA 0.381 nan 4.420 nan 0.000 0.278 162 P C -1.367 175.751 177.300 -0.303 0.000 1.258 162 P CA 0.155 62.954 63.100 -0.502 0.000 0.811 162 P CB 1.773 32.724 31.700 -1.248 0.000 1.063 163 Y N -1.303 118.838 120.300 -0.264 0.000 2.662 163 Y HA 0.456 5.005 4.550 -0.001 0.000 0.335 163 Y C 0.251 176.020 175.900 -0.218 0.000 1.066 163 Y CA -0.546 57.458 58.100 -0.162 0.000 1.116 163 Y CB 1.232 39.739 38.460 0.078 0.000 1.308 163 Y HN 0.271 nan 8.280 nan 0.000 0.502 164 Y N -0.545 119.835 120.300 0.133 0.000 2.534 164 Y HA 0.602 5.152 4.550 -0.001 0.000 0.329 164 Y C 0.215 176.081 175.900 -0.057 0.000 1.154 164 Y CA -0.553 57.561 58.100 0.023 0.000 1.192 164 Y CB 2.315 40.774 38.460 -0.002 0.000 1.275 164 Y HN 0.427 nan 8.280 nan 0.000 0.491 165 T N 1.625 116.220 114.554 0.069 0.000 2.932 165 T HA 0.449 4.799 4.350 -0.001 0.000 0.318 165 T C -1.831 172.804 174.700 -0.109 0.000 1.265 165 T CA -0.798 61.194 62.100 -0.180 0.000 1.036 165 T CB 1.180 69.915 68.868 -0.223 0.000 1.209 165 T HN 0.703 nan 8.240 nan 0.000 0.484 166 E N 2.380 122.444 120.200 -0.227 0.000 2.369 166 E HA 0.824 5.174 4.350 -0.001 0.000 0.270 166 E C -1.459 175.204 176.600 0.104 0.000 0.909 166 E CA -0.696 55.687 56.400 -0.028 0.000 0.775 166 E CB 2.159 31.847 29.700 -0.020 0.000 1.270 166 E HN 0.541 nan 8.360 nan 0.000 0.445 167 D N -0.088 120.380 120.400 0.113 0.000 2.685 167 D HA 0.434 5.073 4.640 -0.001 0.000 0.236 167 D C 0.173 176.515 176.300 0.069 0.000 1.233 167 D CA 0.048 54.120 54.000 0.121 0.000 0.760 167 D CB 1.367 42.236 40.800 0.116 0.000 1.410 167 D HN 0.899 nan 8.370 nan 0.000 0.439 168 G N 0.769 109.600 108.800 0.053 0.000 2.244 168 G HA2 0.012 3.971 3.960 -0.001 0.000 0.274 168 G HA3 0.012 3.971 3.960 -0.001 0.000 0.274 168 G C 1.179 176.096 174.900 0.028 0.000 1.002 168 G CA 1.571 46.689 45.100 0.029 0.000 0.740 168 G HN 1.731 nan 8.290 nan 0.000 0.516 169 G N -1.433 107.390 108.800 0.038 0.000 2.490 169 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.214 169 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.214 169 G C 0.403 175.315 174.900 0.021 0.000 1.151 169 G CA 0.674 45.790 45.100 0.027 0.000 0.684 169 G HN 0.987 nan 8.290 nan 0.000 0.518 170 E N 0.870 121.085 120.200 0.024 0.000 2.410 170 E HA 0.466 4.816 4.350 -0.001 0.000 0.255 170 E C 0.540 177.154 176.600 0.023 0.000 1.194 170 E CA 0.597 57.010 56.400 0.022 0.000 0.955 170 E CB 1.560 31.278 29.700 0.031 0.000 0.988 170 E HN 1.197 nan 8.360 nan 0.000 0.461 171 V N -1.284 118.641 119.914 0.018 0.000 3.007 171 V HA 0.717 4.837 4.120 -0.001 0.000 0.311 171 V C -0.196 175.956 176.094 0.097 0.000 1.120 171 V CA -1.002 61.309 62.300 0.020 0.000 0.980 171 V CB 2.066 33.829 31.823 -0.100 0.000 1.033 171 V HN 0.664 nan 8.190 nan 0.000 0.429 172 I N 0.760 121.430 120.570 0.167 0.000 2.913 172 I HA 0.584 4.754 4.170 -0.001 0.000 0.302 172 I C -0.245 176.024 176.117 0.255 0.000 1.246 172 I CA -0.114 61.313 61.300 0.211 0.000 1.010 172 I CB 2.796 40.901 38.000 0.175 0.000 1.259 172 I HN 0.846 nan 8.210 nan 0.000 0.434 173 T N 5.195 119.896 114.554 0.245 0.000 2.869 173 T HA 0.456 4.805 4.350 -0.001 0.000 0.295 173 T C -0.620 174.151 174.700 0.119 0.000 0.987 173 T CA -0.375 61.802 62.100 0.130 0.000 1.109 173 T CB 0.968 69.905 68.868 0.115 0.000 0.932 173 T HN 0.397 nan 8.240 nan 0.000 0.518 174 V N 1.015 120.943 119.914 0.023 0.000 2.531 174 V HA 0.694 4.813 4.120 -0.001 0.000 0.301 174 V C -1.027 175.114 176.094 0.079 0.000 1.034 174 V CA -1.158 61.182 62.300 0.067 0.000 0.865 174 V CB 0.994 32.798 31.823 -0.032 0.000 0.995 174 V HN 0.720 nan 8.190 nan 0.000 0.424 175 F N 6.675 126.682 119.950 0.095 0.000 2.404 175 F HA 0.641 5.168 4.527 -0.001 0.000 0.354 175 F C -1.981 173.832 175.800 0.022 0.000 1.122 175 F CA -2.127 55.902 58.000 0.048 0.000 1.080 175 F CB 2.512 41.568 39.000 0.093 0.000 1.131 175 F HN 0.400 nan 8.300 nan 0.000 0.471 176 P HA 0.234 nan 4.420 nan 0.000 0.280 176 P C -0.562 176.761 177.300 0.039 0.000 1.244 176 P CA -0.058 62.956 63.100 -0.142 0.000 0.784 176 P CB 1.444 32.661 31.700 -0.804 0.000 0.913 177 I N 2.621 123.249 120.570 0.096 0.000 2.315 177 I HA 0.149 4.318 4.170 -0.001 0.000 0.291 177 I C 1.041 177.237 176.117 0.131 0.000 1.006 177 I CA -0.509 60.870 61.300 0.133 0.000 1.265 177 I CB 0.537 38.611 38.000 0.123 0.000 1.387 177 I HN 0.254 nan 8.210 nan 0.000 0.475 178 D N 6.488 126.998 120.400 0.182 0.000 2.434 178 D HA -0.094 4.545 4.640 -0.001 0.000 0.252 178 D C 1.019 177.471 176.300 0.254 0.000 1.185 178 D CA 0.541 54.678 54.000 0.229 0.000 0.886 178 D CB 1.011 42.057 40.800 0.411 0.000 1.148 178 D HN 0.679 nan 8.370 nan 0.000 0.483 179 E N 4.005 124.324 120.200 0.198 0.000 2.072 179 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 179 E C 1.650 178.400 176.600 0.250 0.000 0.985 179 E CA 0.760 57.290 56.400 0.217 0.000 0.801 179 E CB 0.181 29.974 29.700 0.153 0.000 0.750 179 E HN 0.455 nan 8.360 nan 0.000 0.452 180 K N 0.500 120.977 120.400 0.129 0.000 2.063 180 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 180 K C 2.249 178.926 176.600 0.128 0.000 1.048 180 K CA 1.286 57.559 56.287 -0.022 0.000 0.928 180 K CB -0.139 32.176 32.500 -0.308 0.000 0.713 180 K HN 0.198 nan 8.250 nan 0.000 0.442 181 L N 0.453 121.838 121.223 0.270 0.000 2.187 181 L HA -0.176 4.163 4.340 -0.001 0.000 0.213 181 L C 2.394 179.579 176.870 0.524 0.000 1.100 181 L CA 1.120 56.212 54.840 0.421 0.000 0.765 181 L CB -0.292 42.171 42.059 0.672 0.000 0.904 181 L HN 0.200 nan 8.230 nan 0.000 0.437 182 R N -1.519 119.310 120.500 0.549 0.000 2.189 182 R HA -0.138 4.202 4.340 -0.001 0.000 0.223 182 R C 1.970 178.504 176.300 0.390 0.000 1.092 182 R CA 1.065 57.480 56.100 0.525 0.000 0.989 182 R CB -0.135 30.380 30.300 0.359 0.000 0.876 182 R HN 0.296 nan 8.270 nan 0.000 0.457 183 Y N 0.193 120.619 120.300 0.211 0.000 2.314 183 Y HA 0.019 4.569 4.550 -0.001 0.000 0.294 183 Y C 2.004 177.996 175.900 0.153 0.000 1.119 183 Y CA 0.693 58.895 58.100 0.170 0.000 1.179 183 Y CB -0.004 38.489 38.460 0.055 0.000 1.025 183 Y HN -0.069 nan 8.280 nan 0.000 0.541 184 L N -0.505 120.860 121.223 0.238 0.000 2.109 184 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 184 L C 0.265 177.120 176.870 -0.025 0.000 1.086 184 L CA 0.840 55.752 54.840 0.120 0.000 0.760 184 L CB -0.200 41.922 42.059 0.106 0.000 0.910 184 L HN 0.008 nan 8.230 nan 0.000 0.437 185 I N 1.486 121.958 120.570 -0.163 0.000 2.321 185 I HA 0.166 4.335 4.170 -0.001 0.000 0.291 185 I C -1.773 173.761 176.117 -0.971 0.000 0.998 185 I CA -1.315 59.628 61.300 -0.594 0.000 1.227 185 I CB 1.848 39.382 38.000 -0.777 0.000 1.368 185 I HN -0.152 nan 8.210 nan 0.000 0.466 186 P HA 0.148 nan 4.420 nan 0.000 0.282 186 P C 1.015 177.440 177.300 -1.458 0.000 1.373 186 P CA -0.016 61.863 63.100 -2.034 0.000 1.001 186 P CB 0.206 30.553 31.700 -2.255 0.000 1.489 187 F N 0.431 119.944 119.950 -0.729 0.000 2.307 187 F HA -0.087 4.439 4.527 -0.001 0.000 0.301 187 F C 1.495 176.991 175.800 -0.507 0.000 1.076 187 F CA 0.948 58.562 58.000 -0.643 0.000 1.383 187 F CB -0.708 38.031 39.000 -0.434 0.000 1.055 187 F HN -0.128 nan 8.300 nan 0.000 0.526 188 R N -0.308 120.155 120.500 -0.062 0.000 2.758 188 R HA 0.408 4.748 4.340 -0.001 0.000 0.265 188 R C -2.581 174.028 176.300 0.515 0.000 1.016 188 R CA -3.043 53.145 56.100 0.146 0.000 1.040 188 R CB -0.553 29.831 30.300 0.140 0.000 1.152 188 R HN -0.207 nan 8.270 nan 0.000 0.503 189 P HA -0.015 nan 4.420 nan 0.000 0.265 189 P C 1.008 178.545 177.300 0.396 0.000 1.193 189 P CA 0.035 63.444 63.100 0.516 0.000 0.765 189 P CB 0.554 32.436 31.700 0.304 0.000 0.823 190 V N 4.017 124.060 119.914 0.214 0.000 2.277 190 V HA -0.361 3.759 4.120 -0.001 0.000 0.253 190 V C 2.246 178.377 176.094 0.062 0.000 1.067 190 V CA 2.743 65.031 62.300 -0.021 0.000 1.047 190 V CB -1.158 30.459 31.823 -0.344 0.000 0.649 190 V HN 0.708 nan 8.190 nan 0.000 0.447 191 K N 0.912 121.335 120.400 0.039 0.000 2.152 191 K HA -0.236 4.083 4.320 -0.001 0.000 0.206 191 K C 1.839 178.480 176.600 0.069 0.000 1.048 191 K CA 1.887 58.192 56.287 0.031 0.000 0.933 191 K CB -0.517 31.995 32.500 0.020 0.000 0.721 191 K HN 0.266 nan 8.250 nan 0.000 0.447 192 K N 0.624 121.092 120.400 0.114 0.000 2.097 192 K HA -0.028 4.292 4.320 -0.001 0.000 0.206 192 K C 1.888 178.571 176.600 0.137 0.000 1.049 192 K CA 1.940 58.298 56.287 0.118 0.000 0.933 192 K CB -0.733 31.847 32.500 0.132 0.000 0.717 192 K HN 0.364 nan 8.250 nan 0.000 0.442 193 T N 0.972 115.626 114.554 0.167 0.000 2.896 193 T HA 0.028 4.377 4.350 -0.001 0.000 0.263 193 T C 1.541 176.311 174.700 0.117 0.000 1.050 193 T CA 0.850 63.066 62.100 0.193 0.000 1.140 193 T CB -0.027 68.993 68.868 0.254 0.000 0.877 193 T HN 0.044 nan 8.240 nan 0.000 0.457 194 I N 1.678 122.281 120.570 0.056 0.000 2.286 194 I HA -0.092 4.078 4.170 -0.001 0.000 0.248 194 I C 2.291 178.390 176.117 -0.030 0.000 1.115 194 I CA 1.424 62.699 61.300 -0.042 0.000 1.392 194 I CB -1.008 36.952 38.000 -0.067 0.000 1.065 194 I HN 0.425 nan 8.210 nan 0.000 0.418 195 E N -0.005 120.211 120.200 0.026 0.000 2.047 195 E HA -0.258 4.092 4.350 -0.001 0.000 0.191 195 E C 2.210 178.842 176.600 0.053 0.000 0.987 195 E CA 1.174 57.592 56.400 0.029 0.000 0.799 195 E CB -0.357 29.374 29.700 0.052 0.000 0.752 195 E HN 0.405 nan 8.360 nan 0.000 0.449 196 Y N 1.797 122.075 120.300 -0.036 0.000 2.128 196 Y HA -0.231 4.319 4.550 -0.001 0.000 0.284 196 Y C 1.933 177.779 175.900 -0.090 0.000 1.154 196 Y CA 1.449 59.525 58.100 -0.039 0.000 1.149 196 Y CB -0.357 38.107 38.460 0.006 0.000 0.976 196 Y HN -0.051 nan 8.280 nan 0.000 0.505 197 L N -0.188 120.908 121.223 -0.212 0.000 2.083 197 L HA -0.212 4.128 4.340 -0.001 0.000 0.209 197 L C 2.401 179.089 176.870 -0.302 0.000 1.083 197 L CA 1.759 56.382 54.840 -0.362 0.000 0.752 197 L CB -0.612 41.245 42.059 -0.337 0.000 0.899 197 L HN 0.253 nan 8.230 nan 0.000 0.433 198 E N -0.092 119.989 120.200 -0.198 0.000 2.110 198 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 198 E C 2.265 178.764 176.600 -0.169 0.000 0.988 198 E CA 1.513 57.818 56.400 -0.159 0.000 0.804 198 E CB -0.058 29.579 29.700 -0.105 0.000 0.745 198 E HN 0.479 nan 8.360 nan 0.000 0.458 199 S N 0.378 115.972 115.700 -0.176 0.000 2.507 199 S HA -0.042 4.427 4.470 -0.001 0.000 0.235 199 S C 1.760 176.208 174.600 -0.254 0.000 0.988 199 S CA 0.499 58.601 58.200 -0.163 0.000 0.944 199 S CB -0.145 63.000 63.200 -0.092 0.000 0.762 199 S HN 0.189 nan 8.310 nan 0.000 0.526 200 L N 1.111 122.100 121.223 -0.389 0.000 2.567 200 L HA 0.175 4.514 4.340 -0.001 0.000 0.225 200 L C 0.842 177.487 176.870 -0.374 0.000 1.119 200 L CA -0.158 54.375 54.840 -0.511 0.000 0.871 200 L CB -0.776 40.799 42.059 -0.807 0.000 1.036 200 L HN 0.182 nan 8.230 nan 0.000 0.459 201 T N 0.406 114.803 114.554 -0.262 0.000 2.906 201 T HA 0.116 4.465 4.350 -0.001 0.000 0.329 201 T C 0.348 174.965 174.700 -0.139 0.000 1.091 201 T CA 0.566 62.557 62.100 -0.182 0.000 1.127 201 T CB 0.633 69.422 68.868 -0.132 0.000 1.035 201 T HN 0.232 nan 8.240 nan 0.000 0.547 202 S N -0.240 115.401 115.700 -0.099 0.000 2.636 202 S HA 0.209 4.678 4.470 -0.001 0.000 0.266 202 S C 0.535 175.125 174.600 -0.017 0.000 1.147 202 S CA -0.867 57.305 58.200 -0.046 0.000 0.815 202 S CB 1.395 64.582 63.200 -0.022 0.000 1.119 202 S HN 0.862 nan 8.310 nan 0.000 0.470 203 D N 0.123 120.530 120.400 0.011 0.000 2.317 203 D HA -0.074 4.566 4.640 -0.001 0.000 0.211 203 D C 0.156 176.483 176.300 0.045 0.000 0.966 203 D CA 0.342 54.356 54.000 0.023 0.000 0.876 203 D CB -0.290 40.526 40.800 0.026 0.000 0.927 203 D HN 0.413 nan 8.370 nan 0.000 0.519 204 D N 2.545 122.985 120.400 0.067 0.000 2.342 204 D HA 0.018 4.658 4.640 -0.001 0.000 0.260 204 D C -1.227 175.106 176.300 0.055 0.000 1.278 204 D CA -1.906 52.159 54.000 0.109 0.000 0.910 204 D CB 1.358 42.294 40.800 0.226 0.000 1.079 204 D HN 0.010 nan 8.370 nan 0.000 0.496 205 P HA -0.094 nan 4.420 nan 0.000 0.234 205 P C 0.653 177.819 177.300 -0.224 0.000 1.167 205 P CA 0.521 63.647 63.100 0.042 0.000 0.763 205 P CB 0.229 32.043 31.700 0.190 0.000 0.835 206 S N -2.232 113.292 115.700 -0.292 0.000 2.524 206 S HA 0.111 4.581 4.470 -0.001 0.000 0.215 206 S C 0.916 175.325 174.600 -0.318 0.000 0.986 206 S CA -0.416 57.324 58.200 -0.766 0.000 0.911 206 S CB -0.356 62.667 63.200 -0.294 0.000 0.805 206 S HN 0.007 nan 8.310 nan 0.000 0.501 207 K N 1.410 121.652 120.400 -0.263 0.000 2.448 207 K HA 0.376 4.695 4.320 -0.001 0.000 0.278 207 K C -1.015 175.296 176.600 -0.481 0.000 1.009 207 K CA -0.042 55.845 56.287 -0.667 0.000 0.995 207 K CB 0.813 32.994 32.500 -0.531 0.000 0.917 207 K HN 0.164 nan 8.250 nan 0.000 0.481 208 V N 2.401 122.000 119.914 -0.525 0.000 3.012 208 V HA 0.737 4.857 4.120 -0.001 0.000 0.307 208 V C -1.750 174.295 176.094 -0.082 0.000 1.166 208 V CA -0.445 61.698 62.300 -0.263 0.000 0.974 208 V CB 2.060 33.683 31.823 -0.332 0.000 1.040 208 V HN 0.963 nan 8.190 nan 0.000 0.428 209 A N 4.751 127.614 122.820 0.072 0.000 2.365 209 A HA 0.927 5.246 4.320 -0.001 0.000 0.318 209 A C -1.329 176.417 177.584 0.269 0.000 1.091 209 A CA -0.569 51.639 52.037 0.286 0.000 0.763 209 A CB 1.973 21.158 19.000 0.308 0.000 1.248 209 A HN 1.211 nan 8.150 nan 0.000 0.442 210 V N 1.892 121.957 119.914 0.252 0.000 2.588 210 V HA 0.556 4.675 4.120 -0.001 0.000 0.304 210 V C -1.059 175.198 176.094 0.272 0.000 1.042 210 V CA -0.388 61.984 62.300 0.120 0.000 0.877 210 V CB 1.480 33.344 31.823 0.069 0.000 0.996 210 V HN 0.833 nan 8.190 nan 0.000 0.425 211 F N 3.944 123.934 119.950 0.067 0.000 2.482 211 F HA 0.758 5.285 4.527 -0.001 0.000 0.331 211 F C -0.512 175.289 175.800 0.001 0.000 1.115 211 F CA -0.244 57.847 58.000 0.151 0.000 0.955 211 F CB 1.375 40.559 39.000 0.306 0.000 1.136 211 F HN 0.672 nan 8.300 nan 0.000 0.452 212 H N 4.619 123.109 119.070 -0.967 0.000 3.267 212 H HA 0.237 4.792 4.556 -0.001 0.000 0.319 212 H C -1.855 173.146 175.328 -0.545 0.000 1.191 212 H CA -0.642 55.041 56.048 -0.607 0.000 1.562 212 H CB 0.640 30.411 29.762 0.014 0.000 2.076 212 H HN 0.739 nan 8.280 nan 0.000 0.429 213 D N 1.928 122.061 120.400 -0.445 0.000 2.744 213 D HA 0.114 4.753 4.640 -0.001 0.000 0.304 213 D C -0.849 175.419 176.300 -0.054 0.000 1.179 213 D CA -0.523 53.385 54.000 -0.154 0.000 1.024 213 D CB 1.944 42.623 40.800 -0.201 0.000 1.453 213 D HN 0.485 nan 8.370 nan 0.000 0.529 214 D N -0.344 120.094 120.400 0.063 0.000 2.487 214 D HA 0.228 4.868 4.640 -0.001 0.000 0.243 214 D C 1.237 177.530 176.300 -0.012 0.000 1.154 214 D CA 0.227 54.273 54.000 0.076 0.000 0.876 214 D CB 0.944 41.888 40.800 0.240 0.000 1.161 214 D HN 0.464 nan 8.370 nan 0.000 0.478 215 G N 2.356 111.110 108.800 -0.077 0.000 2.498 215 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.219 215 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.219 215 G C 1.189 176.159 174.900 0.116 0.000 1.119 215 G CA 0.312 45.395 45.100 -0.029 0.000 0.766 215 G HN 0.366 nan 8.290 nan 0.000 0.552 216 E N 0.535 120.751 120.200 0.026 0.000 2.409 216 E HA 0.024 4.373 4.350 -0.001 0.000 0.198 216 E C 2.304 178.709 176.600 -0.326 0.000 1.024 216 E CA 0.427 56.824 56.400 -0.005 0.000 0.861 216 E CB 0.042 29.855 29.700 0.190 0.000 0.788 216 E HN 0.363 nan 8.360 nan 0.000 0.521 217 K N -0.128 119.833 120.400 -0.732 0.000 2.283 217 K HA -0.056 4.264 4.320 -0.001 0.000 0.202 217 K C -0.041 176.071 176.600 -0.812 0.000 1.048 217 K CA 0.603 56.129 56.287 -1.268 0.000 0.948 217 K CB -0.023 31.622 32.500 -1.426 0.000 0.742 217 K HN 0.193 nan 8.250 nan 0.000 0.458 218 F N 0.470 120.268 119.950 -0.253 0.000 2.640 218 F HA 0.238 4.764 4.527 -0.001 0.000 0.331 218 F C 1.218 177.137 175.800 0.197 0.000 1.200 218 F CA -0.172 57.790 58.000 -0.063 0.000 1.278 218 F CB 0.683 39.774 39.000 0.152 0.000 1.571 218 F HN 0.127 nan 8.300 nan 0.000 0.576 219 G N -0.916 108.045 108.800 0.267 0.000 3.288 219 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.195 219 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.195 219 G C 0.763 175.845 174.900 0.304 0.000 1.093 219 G CA 0.107 45.495 45.100 0.480 0.000 0.852 219 G HN 0.140 nan 8.290 nan 0.000 0.453 220 V N 0.472 120.500 119.914 0.189 0.000 2.500 220 V HA 0.253 4.372 4.120 -0.001 0.000 0.243 220 V C 1.517 177.785 176.094 0.290 0.000 1.039 220 V CA 0.792 63.197 62.300 0.174 0.000 1.053 220 V CB -0.530 31.357 31.823 0.107 0.000 0.695 220 V HN 0.316 nan 8.190 nan 0.000 0.463 221 W N 0.760 122.076 121.300 0.026 0.000 2.209 221 W HA 0.238 4.897 4.660 -0.001 0.000 0.344 221 W C -2.135 174.401 176.519 0.028 0.000 1.285 221 W CA -2.437 54.922 57.345 0.022 0.000 1.267 221 W CB -1.281 28.210 29.460 0.051 0.000 1.167 221 W HN 0.044 nan 8.180 nan 0.000 0.574 222 P HA 0.011 nan 4.420 nan 0.000 0.257 222 P C 0.870 178.247 177.300 0.128 0.000 1.162 222 P CA 2.511 65.669 63.100 0.098 0.000 0.762 222 P CB 0.044 31.747 31.700 0.005 0.000 0.753 223 G N 2.857 111.733 108.800 0.126 0.000 2.228 223 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.270 223 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.270 223 G C 1.183 176.187 174.900 0.175 0.000 0.976 223 G CA 1.023 46.205 45.100 0.136 0.000 0.636 223 G HN 0.583 nan 8.290 nan 0.000 0.542 224 T N -2.954 111.710 114.554 0.183 0.000 2.951 224 T HA -0.079 4.271 4.350 -0.001 0.000 0.268 224 T C 1.901 176.706 174.700 0.176 0.000 1.073 224 T CA 1.678 63.856 62.100 0.130 0.000 1.134 224 T CB -0.225 68.661 68.868 0.030 0.000 0.884 224 T HN 0.629 nan 8.240 nan 0.000 0.479 225 Y N 2.245 122.648 120.300 0.171 0.000 2.128 225 Y HA -0.102 4.447 4.550 -0.001 0.000 0.284 225 Y C 2.542 178.586 175.900 0.241 0.000 1.154 225 Y CA 1.894 60.154 58.100 0.268 0.000 1.149 225 Y CB -0.411 38.173 38.460 0.207 0.000 0.976 225 Y HN 0.391 nan 8.280 nan 0.000 0.505 226 E N -0.531 119.782 120.200 0.189 0.000 2.051 226 E HA -0.267 4.082 4.350 -0.001 0.000 0.192 226 E C 2.276 178.914 176.600 0.063 0.000 0.991 226 E CA 1.483 57.945 56.400 0.104 0.000 0.799 226 E CB -0.807 29.004 29.700 0.185 0.000 0.748 226 E HN 0.708 nan 8.360 nan 0.000 0.449 227 W N 0.900 122.163 121.300 -0.063 0.000 2.388 227 W HA -0.129 4.531 4.660 -0.001 0.000 0.294 227 W C 1.561 178.002 176.519 -0.129 0.000 1.212 227 W CA 1.196 58.491 57.345 -0.084 0.000 1.271 227 W CB 0.030 29.425 29.460 -0.108 0.000 1.126 227 W HN 0.031 nan 8.180 nan 0.000 0.535 228 V N -0.024 119.794 119.914 -0.160 0.000 2.446 228 V HA -0.247 3.873 4.120 -0.001 0.000 0.244 228 V C 1.629 177.357 176.094 -0.610 0.000 1.039 228 V CA 1.775 63.822 62.300 -0.422 0.000 1.045 228 V CB -1.028 30.417 31.823 -0.630 0.000 0.681 228 V HN 0.071 nan 8.190 nan 0.000 0.459 229 Y N -0.250 119.893 120.300 -0.261 0.000 2.539 229 Y HA 0.158 4.707 4.550 -0.001 0.000 0.284 229 Y C 2.550 178.277 175.900 -0.287 0.000 1.134 229 Y CA 0.255 58.165 58.100 -0.318 0.000 1.251 229 Y CB 0.067 38.223 38.460 -0.507 0.000 1.260 229 Y HN 0.121 nan 8.280 nan 0.000 0.528 230 E N 1.066 121.161 120.200 -0.175 0.000 2.072 230 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 230 E C 1.291 177.835 176.600 -0.094 0.000 0.985 230 E CA 1.115 57.459 56.400 -0.094 0.000 0.801 230 E CB -0.142 29.535 29.700 -0.039 0.000 0.750 230 E HN 0.441 nan 8.360 nan 0.000 0.452 231 K N -0.419 119.890 120.400 -0.152 0.000 2.404 231 K HA 0.101 4.420 4.320 -0.001 0.000 0.194 231 K C 0.826 177.267 176.600 -0.264 0.000 1.023 231 K CA 0.447 56.609 56.287 -0.207 0.000 1.094 231 K CB 0.867 33.199 32.500 -0.279 0.000 0.841 231 K HN 0.214 nan 8.250 nan 0.000 0.523 232 G N 1.328 109.988 108.800 -0.233 0.000 2.160 232 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.251 232 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.251 232 G C 0.429 175.149 174.900 -0.301 0.000 1.008 232 G CA 0.356 45.320 45.100 -0.227 0.000 0.724 232 G HN 0.550 nan 8.290 nan 0.000 0.514 233 W N -0.017 120.951 121.300 -0.554 0.000 2.317 233 W HA -0.075 4.584 4.660 -0.001 0.000 0.318 233 W C 2.257 178.543 176.519 -0.389 0.000 1.227 233 W CA 2.239 59.259 57.345 -0.542 0.000 1.269 233 W CB -0.304 28.733 29.460 -0.705 0.000 1.155 233 W HN 0.233 nan 8.180 nan 0.000 0.484 234 L N 1.273 122.437 121.223 -0.099 0.000 1.990 234 L HA -0.257 4.083 4.340 -0.001 0.000 0.213 234 L C 2.547 179.000 176.870 -0.696 0.000 1.072 234 L CA 2.474 57.097 54.840 -0.361 0.000 0.755 234 L CB -1.427 40.354 42.059 -0.465 0.000 0.889 234 L HN 0.138 nan 8.230 nan 0.000 0.432 235 R N -0.309 119.913 120.500 -0.464 0.000 2.081 235 R HA -0.231 4.108 4.340 -0.001 0.000 0.235 235 R C 2.203 178.286 176.300 -0.363 0.000 1.131 235 R CA 1.869 57.780 56.100 -0.316 0.000 0.960 235 R CB -0.147 30.117 30.300 -0.060 0.000 0.856 235 R HN 0.485 nan 8.270 nan 0.000 0.436 236 E N -0.694 119.272 120.200 -0.390 0.000 2.106 236 E HA -0.213 4.137 4.350 -0.001 0.000 0.192 236 E C 1.650 177.960 176.600 -0.483 0.000 0.984 236 E CA 1.067 57.233 56.400 -0.390 0.000 0.806 236 E CB -0.130 29.315 29.700 -0.426 0.000 0.750 236 E HN 0.297 nan 8.360 nan 0.000 0.458 237 F N 0.378 119.818 119.950 -0.851 0.000 2.113 237 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 237 F C 1.769 177.273 175.800 -0.494 0.000 1.103 237 F CA 1.188 58.692 58.000 -0.828 0.000 1.248 237 F CB -0.347 37.919 39.000 -1.224 0.000 0.999 237 F HN 0.039 nan 8.300 nan 0.000 0.475 238 F N 0.893 120.308 119.950 -0.892 0.000 2.202 238 F HA -0.162 4.364 4.527 -0.001 0.000 0.301 238 F C 2.419 177.547 175.800 -1.121 0.000 1.082 238 F CA 1.506 58.830 58.000 -1.127 0.000 1.313 238 F CB -1.473 36.701 39.000 -1.376 0.000 1.024 238 F HN 0.138 nan 8.300 nan 0.000 0.495 239 D N -0.117 119.803 120.400 -0.799 0.000 2.084 239 D HA -0.102 4.537 4.640 -0.001 0.000 0.196 239 D C 2.261 178.385 176.300 -0.294 0.000 0.985 239 D CA 1.459 55.244 54.000 -0.358 0.000 0.826 239 D CB -0.264 40.487 40.800 -0.081 0.000 0.978 239 D HN 0.070 nan 8.370 nan 0.000 0.456 240 A N 0.608 123.212 122.820 -0.359 0.000 1.883 240 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 240 A C 2.325 179.689 177.584 -0.366 0.000 1.186 240 A CA 1.114 52.961 52.037 -0.317 0.000 0.624 240 A CB -0.780 18.030 19.000 -0.316 0.000 0.822 240 A HN 0.375 nan 8.150 nan 0.000 0.444 241 I N 0.839 121.070 120.570 -0.564 0.000 2.567 241 I HA -0.143 4.026 4.170 -0.001 0.000 0.257 241 I C 2.254 178.166 176.117 -0.341 0.000 1.184 241 I CA 2.132 63.105 61.300 -0.545 0.000 1.451 241 I CB -1.172 36.301 38.000 -0.879 0.000 1.089 241 I HN 0.579 nan 8.210 nan 0.000 0.441 242 T N -3.422 110.951 114.554 -0.301 0.000 3.069 242 T HA 0.085 4.434 4.350 -0.001 0.000 0.252 242 T C 1.048 175.677 174.700 -0.117 0.000 1.053 242 T CA 0.392 62.383 62.100 -0.183 0.000 0.964 242 T CB -0.238 68.543 68.868 -0.144 0.000 1.005 242 T HN 0.302 nan 8.240 nan 0.000 0.532 243 S N 1.006 116.628 115.700 -0.131 0.000 2.661 243 S HA 0.353 4.823 4.470 -0.001 0.000 0.245 243 S C -0.195 174.346 174.600 -0.098 0.000 1.117 243 S CA -0.877 57.268 58.200 -0.091 0.000 1.091 243 S CB -0.299 62.857 63.200 -0.073 0.000 0.887 243 S HN 0.321 nan 8.310 nan 0.000 0.491 244 N N 2.289 120.925 118.700 -0.108 0.000 2.448 244 N HA 0.141 4.881 4.740 -0.001 0.000 0.279 244 N C 0.825 176.287 175.510 -0.080 0.000 1.025 244 N CA -0.379 52.610 53.050 -0.102 0.000 0.898 244 N CB 1.871 40.279 38.487 -0.132 0.000 1.303 244 N HN 0.549 nan 8.380 nan 0.000 0.495 245 E N 2.407 122.569 120.200 -0.064 0.000 2.267 245 E HA -0.172 4.177 4.350 -0.001 0.000 0.197 245 E C 0.302 176.872 176.600 -0.051 0.000 0.998 245 E CA 1.216 57.586 56.400 -0.050 0.000 0.830 245 E CB 0.056 29.731 29.700 -0.042 0.000 0.751 245 E HN 0.489 nan 8.360 nan 0.000 0.491 246 K N 0.419 120.780 120.400 -0.065 0.000 2.404 246 K HA 0.249 4.569 4.320 -0.001 0.000 0.194 246 K C 0.208 176.760 176.600 -0.080 0.000 1.023 246 K CA 0.130 56.374 56.287 -0.071 0.000 1.094 246 K CB 0.521 32.972 32.500 -0.082 0.000 0.841 246 K HN 0.164 nan 8.250 nan 0.000 0.523 247 I N 1.530 122.053 120.570 -0.079 0.000 2.382 247 I HA 0.112 4.281 4.170 -0.001 0.000 0.285 247 I C -0.764 175.335 176.117 -0.029 0.000 1.007 247 I CA -0.633 60.624 61.300 -0.071 0.000 1.142 247 I CB 1.416 39.343 38.000 -0.121 0.000 1.289 247 I HN 0.061 nan 8.210 nan 0.000 0.453 248 N N 6.888 125.592 118.700 0.006 0.000 2.462 248 N HA 0.334 5.074 4.740 -0.001 0.000 0.242 248 N C -0.999 174.547 175.510 0.059 0.000 1.010 248 N CA -0.679 52.389 53.050 0.029 0.000 0.939 248 N CB 1.089 39.605 38.487 0.047 0.000 1.127 248 N HN 0.427 nan 8.380 nan 0.000 0.509 249 L N 5.630 126.875 121.223 0.037 0.000 2.349 249 L HA 0.463 4.803 4.340 -0.001 0.000 0.275 249 L C -0.233 176.637 176.870 0.000 0.000 1.115 249 L CA 0.078 54.935 54.840 0.028 0.000 0.820 249 L CB 0.822 42.872 42.059 -0.016 0.000 1.135 249 L HN 0.604 nan 8.230 nan 0.000 0.445 250 M N 1.979 121.558 119.600 -0.035 0.000 2.880 250 M HA 0.565 5.045 4.480 -0.001 0.000 0.269 250 M C -0.856 175.378 176.300 -0.110 0.000 1.248 250 M CA -0.716 54.571 55.300 -0.020 0.000 0.821 250 M CB 1.762 34.410 32.600 0.079 0.000 1.650 250 M HN 0.485 nan 8.290 nan 0.000 0.479 251 T N -2.081 112.440 114.554 -0.055 0.000 2.934 251 T HA 0.484 4.833 4.350 -0.001 0.000 0.283 251 T C 0.593 175.237 174.700 -0.095 0.000 1.005 251 T CA -0.442 61.594 62.100 -0.107 0.000 1.041 251 T CB 0.949 69.837 68.868 0.033 0.000 1.042 251 T HN 0.634 nan 8.240 nan 0.000 0.505 252 Y N 0.925 121.112 120.300 -0.188 0.000 2.081 252 Y HA -0.193 4.356 4.550 -0.001 0.000 0.280 252 Y C 3.274 179.111 175.900 -0.104 0.000 1.163 252 Y CA 2.034 59.872 58.100 -0.437 0.000 1.135 252 Y CB -0.674 37.273 38.460 -0.854 0.000 0.970 252 Y HN 0.633 nan 8.280 nan 0.000 0.498 253 S N -0.510 115.348 115.700 0.263 0.000 2.382 253 S HA -0.236 4.233 4.470 -0.001 0.000 0.228 253 S C 1.909 176.652 174.600 0.240 0.000 1.027 253 S CA 1.374 59.763 58.200 0.315 0.000 0.991 253 S CB -0.324 63.119 63.200 0.405 0.000 0.823 253 S HN 0.528 nan 8.310 nan 0.000 0.469 254 E N 0.178 120.501 120.200 0.204 0.000 2.051 254 E HA -0.232 4.117 4.350 -0.001 0.000 0.192 254 E C 1.908 178.615 176.600 0.179 0.000 0.991 254 E CA 1.162 57.656 56.400 0.156 0.000 0.799 254 E CB -0.300 29.476 29.700 0.126 0.000 0.748 254 E HN 0.618 nan 8.360 nan 0.000 0.449 255 Y N 1.344 121.733 120.300 0.149 0.000 2.053 255 Y HA -0.237 4.312 4.550 -0.001 0.000 0.277 255 Y C 2.072 178.160 175.900 0.314 0.000 1.159 255 Y CA 2.069 60.338 58.100 0.281 0.000 1.125 255 Y CB -0.373 38.246 38.460 0.265 0.000 0.969 255 Y HN 0.045 nan 8.280 nan 0.000 0.492 256 L N 0.263 121.735 121.223 0.415 0.000 2.447 256 L HA -0.190 4.149 4.340 -0.001 0.000 0.225 256 L C 2.409 179.343 176.870 0.107 0.000 1.148 256 L CA 1.406 56.420 54.840 0.290 0.000 0.808 256 L CB -0.720 41.554 42.059 0.358 0.000 0.928 256 L HN 0.420 nan 8.230 nan 0.000 0.448 257 S N -1.420 114.313 115.700 0.055 0.000 2.528 257 S HA -0.001 4.468 4.470 -0.001 0.000 0.219 257 S C 1.676 176.191 174.600 -0.142 0.000 0.985 257 S CA 0.038 58.233 58.200 -0.008 0.000 0.914 257 S CB 0.200 63.411 63.200 0.018 0.000 0.776 257 S HN 0.428 nan 8.310 nan 0.000 0.526 258 K N -0.549 119.672 120.400 -0.298 0.000 2.344 258 K HA 0.350 4.669 4.320 -0.001 0.000 0.200 258 K C -0.622 175.430 176.600 -0.912 0.000 1.132 258 K CA 0.287 56.168 56.287 -0.676 0.000 0.935 258 K CB 0.323 32.238 32.500 -0.974 0.000 1.089 258 K HN 0.349 nan 8.250 nan 0.000 0.496 259 F N 1.034 120.772 119.950 -0.354 0.000 2.579 259 F HA 0.318 4.844 4.527 -0.001 0.000 0.324 259 F C 0.476 176.178 175.800 -0.163 0.000 1.058 259 F CA -1.257 56.561 58.000 -0.304 0.000 0.944 259 F CB 1.516 40.220 39.000 -0.494 0.000 1.245 259 F HN -0.179 nan 8.300 nan 0.000 0.477 260 T N -1.511 113.119 114.554 0.125 0.000 2.950 260 T HA 0.642 4.991 4.350 -0.001 0.000 0.288 260 T C -2.873 171.817 174.700 -0.016 0.000 1.035 260 T CA -2.572 59.566 62.100 0.063 0.000 1.028 260 T CB 1.545 70.459 68.868 0.076 0.000 1.109 260 T HN 0.176 nan 8.240 nan 0.000 0.514 261 P HA 0.179 nan 4.420 nan 0.000 0.266 261 P C 0.596 177.676 177.300 -0.367 0.000 1.195 261 P CA -0.370 62.427 63.100 -0.504 0.000 0.768 261 P CB 0.520 31.478 31.700 -1.236 0.000 0.838 262 R N 1.886 122.120 120.500 -0.443 0.000 2.193 262 R HA 0.100 4.439 4.340 -0.001 0.000 0.213 262 R C 0.695 176.741 176.300 -0.424 0.000 1.055 262 R CA 1.119 56.932 56.100 -0.478 0.000 0.995 262 R CB -0.112 29.771 30.300 -0.695 0.000 0.893 262 R HN 0.695 nan 8.270 nan 0.000 0.459 263 G N -0.041 108.519 108.800 -0.400 0.000 2.428 263 G HA2 0.325 4.284 3.960 -0.001 0.000 0.304 263 G HA3 0.325 4.284 3.960 -0.001 0.000 0.304 263 G C -2.342 172.704 174.900 0.245 0.000 1.303 263 G CA -0.786 44.295 45.100 -0.032 0.000 0.825 263 G HN 0.085 nan 8.290 nan 0.000 0.484 264 L N 0.299 121.688 121.223 0.277 0.000 2.322 264 L HA 0.908 5.248 4.340 -0.001 0.000 0.281 264 L C -0.611 176.358 176.870 0.165 0.000 1.014 264 L CA -0.910 54.056 54.840 0.211 0.000 0.815 264 L CB 1.601 43.732 42.059 0.120 0.000 1.247 264 L HN 0.825 nan 8.230 nan 0.000 0.421 265 V N 4.923 124.835 119.914 -0.004 0.000 3.087 265 V HA 0.564 4.683 4.120 -0.001 0.000 0.306 265 V C -1.680 174.235 176.094 -0.299 0.000 1.187 265 V CA -0.450 61.811 62.300 -0.065 0.000 0.999 265 V CB 2.314 34.047 31.823 -0.149 0.000 1.049 265 V HN 0.634 nan 8.190 nan 0.000 0.431 266 Y N 4.824 125.072 120.300 -0.087 0.000 2.352 266 Y HA 0.677 5.226 4.550 -0.001 0.000 0.339 266 Y C 0.103 175.908 175.900 -0.158 0.000 0.992 266 Y CA -0.708 57.347 58.100 -0.075 0.000 1.100 266 Y CB 1.733 40.188 38.460 -0.009 0.000 1.192 266 Y HN 0.435 nan 8.280 nan 0.000 0.458 267 L N 5.955 127.129 121.223 -0.081 0.000 2.325 267 L HA 0.539 4.878 4.340 -0.001 0.000 0.279 267 L C -2.034 174.892 176.870 0.093 0.000 1.054 267 L CA -1.994 52.733 54.840 -0.188 0.000 0.804 267 L CB 1.142 42.801 42.059 -0.668 0.000 1.200 267 L HN 0.426 nan 8.230 nan 0.000 0.436 268 P HA 0.210 nan 4.420 nan 0.000 0.277 268 P C -0.548 176.871 177.300 0.198 0.000 1.271 268 P CA -0.435 62.719 63.100 0.091 0.000 0.795 268 P CB 1.150 32.848 31.700 -0.003 0.000 1.101 269 I N 0.454 121.097 120.570 0.122 0.000 2.322 269 I HA 0.400 4.570 4.170 -0.001 0.000 0.292 269 I C 0.534 176.690 176.117 0.066 0.000 1.060 269 I CA 0.244 61.615 61.300 0.118 0.000 1.309 269 I CB -0.017 37.998 38.000 0.026 0.000 1.415 269 I HN 0.451 nan 8.210 nan 0.000 0.492 270 A N 4.447 127.338 122.820 0.118 0.000 2.599 270 A HA 0.739 5.058 4.320 -0.001 0.000 0.290 270 A C -0.107 177.517 177.584 0.067 0.000 1.101 270 A CA -0.116 51.933 52.037 0.021 0.000 0.674 270 A CB 1.441 20.384 19.000 -0.095 0.000 1.277 270 A HN 0.586 nan 8.150 nan 0.000 0.419 271 S N -0.928 114.771 115.700 -0.002 0.000 3.386 271 S HA 0.683 5.152 4.470 -0.001 0.000 0.181 271 S C 0.009 174.599 174.600 -0.018 0.000 0.763 271 S CA 0.794 58.989 58.200 -0.009 0.000 0.847 271 S CB -0.305 62.747 63.200 -0.246 0.000 0.980 271 S HN 1.879 nan 8.310 nan 0.000 0.676 272 Y N -2.075 118.066 120.300 -0.265 0.000 2.638 272 Y HA 0.699 5.248 4.550 -0.001 0.000 0.335 272 Y C 0.509 176.078 175.900 -0.553 0.000 1.155 272 Y CA -1.849 55.820 58.100 -0.719 0.000 1.046 272 Y CB 0.117 38.322 38.460 -0.425 0.000 1.303 272 Y HN 0.143 nan 8.280 nan 0.000 0.460 273 F N 1.747 121.361 119.950 -0.560 0.000 2.063 273 F HA -0.222 4.305 4.527 -0.001 0.000 0.298 273 F C 1.832 177.522 175.800 -0.183 0.000 1.109 273 F CA 2.779 60.698 58.000 -0.135 0.000 1.212 273 F CB -0.013 39.004 39.000 0.028 0.000 0.973 273 F HN 0.796 nan 8.300 nan 0.000 0.480 274 E N -0.536 119.581 120.200 -0.138 0.000 2.077 274 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 274 E C 2.238 178.003 176.600 -1.391 0.000 0.989 274 E CA 1.434 57.393 56.400 -0.735 0.000 0.800 274 E CB -0.422 28.832 29.700 -0.744 0.000 0.746 274 E HN 0.284 nan 8.360 nan 0.000 0.452 275 M N 0.614 119.488 119.600 -1.210 0.000 2.149 275 M HA -0.145 4.334 4.480 -0.001 0.000 0.261 275 M C 2.317 178.262 176.300 -0.592 0.000 1.064 275 M CA 1.866 56.641 55.300 -0.876 0.000 1.102 275 M CB -1.131 30.802 32.600 -1.111 0.000 1.369 275 M HN 0.230 nan 8.290 nan 0.000 0.408 276 S N -0.846 114.468 115.700 -0.643 0.000 2.423 276 S HA -0.161 4.308 4.470 -0.001 0.000 0.231 276 S C 1.801 175.933 174.600 -0.780 0.000 1.014 276 S CA 1.448 59.274 58.200 -0.623 0.000 0.965 276 S CB -0.352 62.498 63.200 -0.583 0.000 0.785 276 S HN 0.612 nan 8.310 nan 0.000 0.495 277 E N 0.019 119.750 120.200 -0.781 0.000 2.033 277 E HA -0.089 4.260 4.350 -0.001 0.000 0.189 277 E C 1.655 178.088 176.600 -0.278 0.000 0.979 277 E CA 1.082 57.117 56.400 -0.608 0.000 0.802 277 E CB -0.199 29.349 29.700 -0.252 0.000 0.763 277 E HN 0.712 nan 8.360 nan 0.000 0.449 278 W N 1.253 122.487 121.300 -0.111 0.000 2.363 278 W HA -0.099 4.560 4.660 -0.001 0.000 0.296 278 W C 2.553 178.975 176.519 -0.161 0.000 1.212 278 W CA 1.240 58.635 57.345 0.084 0.000 1.260 278 W CB -1.356 28.349 29.460 0.409 0.000 1.131 278 W HN 0.209 nan 8.180 nan 0.000 0.530 279 S N -0.015 115.454 115.700 -0.385 0.000 2.547 279 S HA 0.006 4.475 4.470 -0.001 0.000 0.235 279 S C 0.783 174.957 174.600 -0.710 0.000 0.980 279 S CA 0.311 57.810 58.200 -1.168 0.000 0.941 279 S CB -0.750 61.859 63.200 -0.985 0.000 0.763 279 S HN 0.040 nan 8.310 nan 0.000 0.532 280 L N 2.894 123.855 121.223 -0.438 0.000 2.350 280 L HA 0.398 4.737 4.340 -0.001 0.000 0.275 280 L C -2.203 174.546 176.870 -0.202 0.000 1.099 280 L CA -2.614 52.039 54.840 -0.313 0.000 0.808 280 L CB 0.646 42.522 42.059 -0.306 0.000 1.149 280 L HN 0.016 nan 8.230 nan 0.000 0.442 281 P HA 0.000 nan 4.420 nan 0.000 0.271 281 P C 0.372 177.675 177.300 0.005 0.000 1.226 281 P CA 0.022 63.102 63.100 -0.033 0.000 0.765 281 P CB 1.244 32.995 31.700 0.085 0.000 0.835 282 A N 5.763 128.594 122.820 0.019 0.000 1.826 282 A HA -0.349 3.970 4.320 -0.001 0.000 0.267 282 A C 2.166 179.923 177.584 0.288 0.000 2.510 282 A CA 3.115 55.207 52.037 0.092 0.000 0.865 282 A CB -2.044 17.050 19.000 0.157 0.000 0.830 282 A HN 0.617 nan 8.150 nan 0.000 0.508 283 K N -1.813 118.819 120.400 0.387 0.000 2.127 283 K HA -0.296 4.023 4.320 -0.001 0.000 0.208 283 K C 2.229 178.937 176.600 0.181 0.000 1.047 283 K CA 2.136 58.603 56.287 0.300 0.000 0.927 283 K CB -0.143 32.441 32.500 0.140 0.000 0.716 283 K HN 0.539 nan 8.250 nan 0.000 0.450 284 Q N -0.262 119.600 119.800 0.103 0.000 2.187 284 Q HA 0.097 4.437 4.340 -0.001 0.000 0.199 284 Q C 1.693 177.719 176.000 0.044 0.000 0.957 284 Q CA 1.432 57.265 55.803 0.049 0.000 0.857 284 Q CB -0.056 28.676 28.738 -0.010 0.000 0.929 284 Q HN 0.414 nan 8.270 nan 0.000 0.453 285 A N 0.194 122.993 122.820 -0.035 0.000 2.015 285 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 285 A C 1.931 179.554 177.584 0.064 0.000 1.163 285 A CA 1.750 53.695 52.037 -0.153 0.000 0.646 285 A CB -0.404 18.196 19.000 -0.666 0.000 0.806 285 A HN 0.270 nan 8.150 nan 0.000 0.448 286 K N 0.299 120.814 120.400 0.191 0.000 2.002 286 K HA -0.038 4.281 4.320 -0.001 0.000 0.209 286 K C 1.782 178.532 176.600 0.249 0.000 1.048 286 K CA 1.634 58.111 56.287 0.316 0.000 0.930 286 K CB -0.671 32.071 32.500 0.404 0.000 0.714 286 K HN 0.374 nan 8.250 nan 0.000 0.438 287 L N -0.079 121.265 121.223 0.202 0.000 2.042 287 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 287 L C 2.328 179.341 176.870 0.240 0.000 1.076 287 L CA 1.623 56.567 54.840 0.173 0.000 0.749 287 L CB -0.412 41.715 42.059 0.114 0.000 0.893 287 L HN 0.276 nan 8.230 nan 0.000 0.432 288 F N -0.079 119.932 119.950 0.102 0.000 2.126 288 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 288 F C 2.222 178.142 175.800 0.199 0.000 1.096 288 F CA 1.750 59.839 58.000 0.148 0.000 1.255 288 F CB -0.393 38.623 39.000 0.026 0.000 0.997 288 F HN -0.206 nan 8.300 nan 0.000 0.479 289 V N 0.269 120.308 119.914 0.208 0.000 2.358 289 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 289 V C 2.252 178.392 176.094 0.078 0.000 1.047 289 V CA 2.177 64.551 62.300 0.123 0.000 1.035 289 V CB -0.720 31.259 31.823 0.260 0.000 0.658 289 V HN 0.334 nan 8.190 nan 0.000 0.452 290 E N -0.486 119.798 120.200 0.141 0.000 2.038 290 E HA -0.249 4.101 4.350 -0.001 0.000 0.195 290 E C 2.095 178.785 176.600 0.150 0.000 1.000 290 E CA 1.716 58.196 56.400 0.134 0.000 0.803 290 E CB -0.278 29.511 29.700 0.148 0.000 0.750 290 E HN 0.531 nan 8.360 nan 0.000 0.448 291 F N 1.613 121.548 119.950 -0.024 0.000 2.025 291 F HA -0.243 4.284 4.527 -0.001 0.000 0.297 291 F C 2.247 178.004 175.800 -0.073 0.000 1.132 291 F CA 1.148 59.129 58.000 -0.032 0.000 1.191 291 F CB -0.818 38.165 39.000 -0.028 0.000 0.963 291 F HN -0.202 nan 8.300 nan 0.000 0.481 292 V N 0.619 120.370 119.914 -0.272 0.000 2.546 292 V HA -0.281 3.839 4.120 -0.001 0.000 0.254 292 V C 2.440 178.289 176.094 -0.409 0.000 1.076 292 V CA 2.064 64.088 62.300 -0.459 0.000 1.087 292 V CB -0.675 30.851 31.823 -0.495 0.000 0.674 292 V HN 0.333 nan 8.190 nan 0.000 0.470 293 E N -0.245 119.834 120.200 -0.202 0.000 2.016 293 E HA -0.174 4.175 4.350 -0.001 0.000 0.190 293 E C 2.300 178.849 176.600 -0.086 0.000 0.985 293 E CA 1.040 57.359 56.400 -0.135 0.000 0.802 293 E CB -0.334 29.342 29.700 -0.040 0.000 0.762 293 E HN 0.663 nan 8.360 nan 0.000 0.448 294 Q N 0.416 120.206 119.800 -0.017 0.000 2.152 294 Q HA -0.133 4.206 4.340 -0.001 0.000 0.206 294 Q C 2.452 178.457 176.000 0.008 0.000 0.985 294 Q CA 1.049 56.868 55.803 0.028 0.000 0.863 294 Q CB -0.188 28.613 28.738 0.105 0.000 0.904 294 Q HN 0.251 nan 8.270 nan 0.000 0.422 295 L N 0.349 121.545 121.223 -0.046 0.000 2.083 295 L HA -0.217 4.123 4.340 -0.001 0.000 0.209 295 L C 2.262 179.151 176.870 0.032 0.000 1.083 295 L CA 1.277 56.119 54.840 0.002 0.000 0.752 295 L CB -0.344 41.712 42.059 -0.005 0.000 0.899 295 L HN 0.148 nan 8.230 nan 0.000 0.433 296 K N -0.151 120.209 120.400 -0.066 0.000 2.155 296 K HA -0.184 4.135 4.320 -0.001 0.000 0.203 296 K C 1.992 178.572 176.600 -0.032 0.000 1.052 296 K CA 0.977 57.223 56.287 -0.069 0.000 0.948 296 K CB -0.033 32.342 32.500 -0.209 0.000 0.728 296 K HN 0.279 nan 8.250 nan 0.000 0.448 297 E N 1.343 121.527 120.200 -0.027 0.000 2.268 297 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 297 E C 0.467 177.073 176.600 0.009 0.000 0.995 297 E CA 0.924 57.320 56.400 -0.007 0.000 0.836 297 E CB 0.297 29.998 29.700 0.002 0.000 0.763 297 E HN 0.294 nan 8.360 nan 0.000 0.491 298 E N -1.123 119.089 120.200 0.021 0.000 2.558 298 E HA 0.164 4.513 4.350 -0.001 0.000 0.205 298 E C 0.630 177.245 176.600 0.025 0.000 1.006 298 E CA 0.220 56.639 56.400 0.031 0.000 0.961 298 E CB 0.994 30.726 29.700 0.052 0.000 1.044 298 E HN 0.377 nan 8.360 nan 0.000 0.465 299 G N 2.273 111.082 108.800 0.016 0.000 2.200 299 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.268 299 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.268 299 G C 1.194 176.085 174.900 -0.015 0.000 0.986 299 G CA 0.955 46.057 45.100 0.003 0.000 0.677 299 G HN 0.158 nan 8.290 nan 0.000 0.532 300 K N -0.690 119.719 120.400 0.016 0.000 2.228 300 K HA 0.147 4.467 4.320 -0.001 0.000 0.202 300 K C 1.896 178.478 176.600 -0.029 0.000 1.051 300 K CA 0.783 57.059 56.287 -0.019 0.000 0.960 300 K CB -0.294 32.295 32.500 0.149 0.000 0.743 300 K HN 0.453 nan 8.250 nan 0.000 0.458 301 F N 3.198 123.084 119.950 -0.106 0.000 2.091 301 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 301 F C 1.994 177.706 175.800 -0.145 0.000 1.103 301 F CA 1.626 59.551 58.000 -0.126 0.000 1.228 301 F CB -0.074 38.835 39.000 -0.152 0.000 0.984 301 F HN 0.108 nan 8.300 nan 0.000 0.477 302 E N 0.087 120.209 120.200 -0.131 0.000 2.086 302 E HA -0.315 4.034 4.350 -0.001 0.000 0.200 302 E C 1.918 178.325 176.600 -0.323 0.000 1.012 302 E CA 2.037 58.306 56.400 -0.220 0.000 0.812 302 E CB -0.338 29.285 29.700 -0.128 0.000 0.743 302 E HN 0.567 nan 8.360 nan 0.000 0.453 303 K N -0.808 119.371 120.400 -0.369 0.000 2.367 303 K HA 0.006 4.325 4.320 -0.001 0.000 0.194 303 K C 0.825 177.227 176.600 -0.330 0.000 1.027 303 K CA 0.563 56.613 56.287 -0.394 0.000 1.075 303 K CB 0.273 32.500 32.500 -0.454 0.000 0.845 303 K HN 0.211 nan 8.250 nan 0.000 0.529 304 Y N 1.441 121.606 120.300 -0.225 0.000 2.557 304 Y HA 0.240 4.790 4.550 -0.001 0.000 0.247 304 Y C 1.786 177.499 175.900 -0.312 0.000 1.164 304 Y CA -0.970 57.042 58.100 -0.145 0.000 1.218 304 Y CB 0.590 39.066 38.460 0.026 0.000 1.210 304 Y HN 0.059 nan 8.280 nan 0.000 0.529 305 R N 0.422 120.642 120.500 -0.465 0.000 2.120 305 R HA -0.113 4.227 4.340 -0.001 0.000 0.234 305 R C 1.679 177.824 176.300 -0.259 0.000 1.123 305 R CA 1.712 57.440 56.100 -0.620 0.000 0.975 305 R CB -1.246 28.410 30.300 -1.073 0.000 0.866 305 R HN 0.286 nan 8.270 nan 0.000 0.446 306 V N -1.752 117.933 119.914 -0.382 0.000 2.913 306 V HA -0.044 4.076 4.120 -0.001 0.000 0.260 306 V C 1.351 177.310 176.094 -0.225 0.000 1.098 306 V CA 1.116 63.196 62.300 -0.368 0.000 1.121 306 V CB -0.928 30.554 31.823 -0.568 0.000 0.714 306 V HN 0.270 nan 8.190 nan 0.000 0.487 307 F N 0.080 120.052 119.950 0.037 0.000 2.641 307 F HA 0.496 5.022 4.527 -0.001 0.000 0.302 307 F C 0.416 176.294 175.800 0.130 0.000 1.098 307 F CA -0.392 57.641 58.000 0.055 0.000 1.318 307 F CB 0.839 39.861 39.000 0.036 0.000 1.035 307 F HN -0.041 nan 8.300 nan 0.000 0.551 308 V N 1.625 121.729 119.914 0.318 0.000 2.407 308 V HA 0.528 4.648 4.120 -0.001 0.000 0.291 308 V C -0.280 176.114 176.094 0.500 0.000 1.018 308 V CA -0.674 61.892 62.300 0.442 0.000 0.842 308 V CB 1.748 33.835 31.823 0.439 0.000 0.996 308 V HN 0.169 nan 8.190 nan 0.000 0.426 309 R N 1.984 122.728 120.500 0.407 0.000 2.710 309 R HA 0.613 4.953 4.340 -0.001 0.000 0.270 309 R C 0.287 176.506 176.300 -0.135 0.000 1.021 309 R CA -0.397 55.788 56.100 0.142 0.000 0.889 309 R CB 2.586 32.908 30.300 0.036 0.000 1.243 309 R HN 0.784 nan 8.270 nan 0.000 0.464 310 G N 0.188 108.573 108.800 -0.692 0.000 3.329 310 G HA2 0.453 4.412 3.960 -0.001 0.000 0.180 310 G HA3 0.453 4.412 3.960 -0.001 0.000 0.180 310 G C 0.157 174.771 174.900 -0.475 0.000 1.640 310 G CA 0.175 44.771 45.100 -0.841 0.000 1.018 310 G HN 0.540 nan 8.290 nan 0.000 0.581 311 G N -0.754 107.750 108.800 -0.493 0.000 2.532 311 G HA2 0.542 4.501 3.960 -0.001 0.000 0.291 311 G HA3 0.542 4.501 3.960 -0.001 0.000 0.291 311 G C -0.244 174.449 174.900 -0.345 0.000 1.349 311 G CA -0.324 44.549 45.100 -0.380 0.000 1.038 311 G HN 0.939 nan 8.290 nan 0.000 0.518 312 I N -3.962 116.427 120.570 -0.301 0.000 2.750 312 I HA 0.465 4.635 4.170 -0.001 0.000 0.308 312 I C 0.868 176.835 176.117 -0.250 0.000 1.016 312 I CA -1.152 60.018 61.300 -0.217 0.000 1.098 312 I CB 2.188 40.111 38.000 -0.128 0.000 1.279 312 I HN 0.680 nan 8.210 nan 0.000 0.454 313 W N 3.523 124.636 121.300 -0.312 0.000 2.318 313 W HA -0.179 4.480 4.660 -0.001 0.000 0.313 313 W C 1.973 178.336 176.519 -0.260 0.000 1.221 313 W CA 1.687 58.868 57.345 -0.273 0.000 1.266 313 W CB 0.116 29.430 29.460 -0.244 0.000 1.150 313 W HN 0.520 nan 8.180 nan 0.000 0.496 314 K N -0.184 120.189 120.400 -0.045 0.000 2.515 314 K HA -0.182 4.137 4.320 -0.001 0.000 0.196 314 K C 1.338 177.735 176.600 -0.339 0.000 1.038 314 K CA 1.124 57.268 56.287 -0.239 0.000 0.967 314 K CB -0.493 32.068 32.500 0.102 0.000 0.780 314 K HN 0.166 nan 8.250 nan 0.000 0.483 315 N N 0.529 119.023 118.700 -0.344 0.000 2.571 315 N HA -0.033 4.707 4.740 -0.001 0.000 0.189 315 N C 0.898 176.238 175.510 -0.283 0.000 1.154 315 N CA 0.440 53.335 53.050 -0.259 0.000 0.907 315 N CB -0.092 38.200 38.487 -0.324 0.000 0.977 315 N HN 0.114 nan 8.380 nan 0.000 0.449 316 F N -0.858 118.796 119.950 -0.493 0.000 2.293 316 F HA -0.013 4.513 4.527 -0.001 0.000 0.300 316 F C 1.214 176.890 175.800 -0.206 0.000 1.086 316 F CA 0.671 58.413 58.000 -0.431 0.000 1.375 316 F CB -0.102 38.513 39.000 -0.642 0.000 1.045 316 F HN 0.126 nan 8.300 nan 0.000 0.516 317 F N -1.954 118.056 119.950 0.099 0.000 2.407 317 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 317 F C 2.083 177.965 175.800 0.137 0.000 1.097 317 F CA 0.317 58.387 58.000 0.117 0.000 1.422 317 F CB -0.386 38.648 39.000 0.057 0.000 1.067 317 F HN -0.009 nan 8.300 nan 0.000 0.539 318 F N 1.118 121.135 119.950 0.111 0.000 2.262 318 F HA 0.019 4.545 4.527 -0.001 0.000 0.292 318 F C 2.274 178.065 175.800 -0.016 0.000 1.081 318 F CA 1.174 59.200 58.000 0.042 0.000 1.355 318 F CB -0.296 38.687 39.000 -0.028 0.000 1.069 318 F HN -0.285 nan 8.300 nan 0.000 0.506 319 K N -0.599 119.775 120.400 -0.045 0.000 2.057 319 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 319 K C -0.365 176.033 176.600 -0.336 0.000 1.050 319 K CA 1.121 57.233 56.287 -0.292 0.000 0.935 319 K CB -0.206 32.021 32.500 -0.454 0.000 0.715 319 K HN 0.316 nan 8.250 nan 0.000 0.439 320 Y N 0.260 120.632 120.300 0.119 0.000 2.575 320 Y HA 0.219 4.768 4.550 -0.001 0.000 0.326 320 Y C -2.007 173.961 175.900 0.113 0.000 0.979 320 Y CA -2.636 55.522 58.100 0.097 0.000 1.286 320 Y CB 1.733 40.256 38.460 0.104 0.000 1.093 320 Y HN 0.107 nan 8.280 nan 0.000 0.501 321 P HA -0.198 nan 4.420 nan 0.000 0.216 321 P C 0.875 178.308 177.300 0.222 0.000 1.153 321 P CA 1.577 64.764 63.100 0.145 0.000 0.858 321 P CB 0.439 32.167 31.700 0.047 0.000 0.789 322 E N -0.868 119.459 120.200 0.212 0.000 2.153 322 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 322 E C 2.158 178.939 176.600 0.302 0.000 0.988 322 E CA 1.322 57.870 56.400 0.247 0.000 0.811 322 E CB -1.012 28.770 29.700 0.137 0.000 0.746 322 E HN 0.159 nan 8.360 nan 0.000 0.466 323 S N 0.142 116.022 115.700 0.300 0.000 2.387 323 S HA -0.144 4.325 4.470 -0.001 0.000 0.226 323 S C 1.897 176.785 174.600 0.480 0.000 1.026 323 S CA 1.292 59.719 58.200 0.378 0.000 0.972 323 S CB -0.214 63.257 63.200 0.451 0.000 0.814 323 S HN 0.247 nan 8.310 nan 0.000 0.477 324 N N 0.411 119.366 118.700 0.425 0.000 2.106 324 N HA -0.071 4.668 4.740 -0.001 0.000 0.188 324 N C 1.483 177.078 175.510 0.141 0.000 1.029 324 N CA 1.610 54.795 53.050 0.226 0.000 0.848 324 N CB -0.681 37.946 38.487 0.234 0.000 1.007 324 N HN 0.445 nan 8.380 nan 0.000 0.423 325 F N 0.956 120.958 119.950 0.087 0.000 2.102 325 F HA -0.093 4.433 4.527 -0.001 0.000 0.298 325 F C 2.408 178.243 175.800 0.058 0.000 1.105 325 F CA 1.594 59.634 58.000 0.067 0.000 1.239 325 F CB -0.509 38.574 39.000 0.139 0.000 0.991 325 F HN 0.140 nan 8.300 nan 0.000 0.474 326 M N -0.800 118.875 119.600 0.125 0.000 2.117 326 M HA -0.272 4.207 4.480 -0.001 0.000 0.262 326 M C 2.548 178.714 176.300 -0.224 0.000 1.065 326 M CA 2.124 57.279 55.300 -0.243 0.000 1.114 326 M CB -0.820 31.658 32.600 -0.203 0.000 1.361 326 M HN 0.341 nan 8.290 nan 0.000 0.408 327 H N 0.225 119.269 119.070 -0.043 0.000 2.389 327 H HA -0.104 4.452 4.556 -0.001 0.000 0.299 327 H C 1.405 176.539 175.328 -0.323 0.000 1.081 327 H CA 1.300 57.278 56.048 -0.118 0.000 1.345 327 H CB 0.228 29.716 29.762 -0.457 0.000 1.393 327 H HN 0.293 nan 8.280 nan 0.000 0.520 328 K N 0.638 120.779 120.400 -0.431 0.000 2.228 328 K HA -0.012 4.308 4.320 -0.001 0.000 0.202 328 K C 2.212 178.499 176.600 -0.520 0.000 1.051 328 K CA 0.265 56.229 56.287 -0.539 0.000 0.960 328 K CB 0.049 32.240 32.500 -0.514 0.000 0.743 328 K HN 0.285 nan 8.250 nan 0.000 0.458 329 R N 0.760 120.928 120.500 -0.554 0.000 2.148 329 R HA -0.031 4.308 4.340 -0.001 0.000 0.223 329 R C 2.247 178.337 176.300 -0.350 0.000 1.088 329 R CA 0.964 56.782 56.100 -0.471 0.000 0.985 329 R CB -0.390 29.587 30.300 -0.538 0.000 0.880 329 R HN 0.312 nan 8.270 nan 0.000 0.451 330 M N -0.680 118.692 119.600 -0.381 0.000 2.156 330 M HA -0.011 4.468 4.480 -0.001 0.000 0.264 330 M C 1.882 178.027 176.300 -0.260 0.000 1.067 330 M CA 1.719 56.851 55.300 -0.281 0.000 1.131 330 M CB -0.703 31.760 32.600 -0.229 0.000 1.368 330 M HN -0.075 nan 8.290 nan 0.000 0.416 331 L N -0.149 120.855 121.223 -0.365 0.000 2.017 331 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 331 L C 2.919 179.685 176.870 -0.172 0.000 1.073 331 L CA 1.973 56.646 54.840 -0.278 0.000 0.745 331 L CB -0.708 41.152 42.059 -0.331 0.000 0.894 331 L HN 0.564 nan 8.230 nan 0.000 0.432 332 M N -0.363 119.118 119.600 -0.199 0.000 2.073 332 M HA -0.232 4.247 4.480 -0.001 0.000 0.258 332 M C 2.204 178.452 176.300 -0.087 0.000 1.070 332 M CA 2.008 57.230 55.300 -0.130 0.000 1.103 332 M CB -0.071 32.431 32.600 -0.164 0.000 1.321 332 M HN 0.038 nan 8.290 nan 0.000 0.405 333 V N -0.235 119.620 119.914 -0.099 0.000 2.358 333 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 333 V C 2.544 178.611 176.094 -0.045 0.000 1.047 333 V CA 1.997 64.263 62.300 -0.056 0.000 1.035 333 V CB -0.865 30.926 31.823 -0.054 0.000 0.658 333 V HN 0.692 nan 8.190 nan 0.000 0.452 334 S N -0.136 115.525 115.700 -0.065 0.000 2.365 334 S HA -0.333 4.136 4.470 -0.001 0.000 0.225 334 S C 2.160 176.740 174.600 -0.034 0.000 1.039 334 S CA 2.415 60.586 58.200 -0.048 0.000 1.033 334 S CB -0.325 62.837 63.200 -0.062 0.000 0.887 334 S HN 0.632 nan 8.310 nan 0.000 0.447 335 K N 0.348 120.727 120.400 -0.035 0.000 2.097 335 K HA 0.027 4.347 4.320 -0.001 0.000 0.205 335 K C 2.118 178.711 176.600 -0.011 0.000 1.050 335 K CA 1.163 57.439 56.287 -0.018 0.000 0.938 335 K CB -0.511 31.983 32.500 -0.011 0.000 0.718 335 K HN 0.420 nan 8.250 nan 0.000 0.442 336 A N 0.623 123.436 122.820 -0.012 0.000 2.014 336 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 336 A C 1.863 179.447 177.584 -0.000 0.000 1.163 336 A CA 1.438 53.475 52.037 -0.001 0.000 0.652 336 A CB -0.200 18.802 19.000 0.004 0.000 0.808 336 A HN 0.290 nan 8.150 nan 0.000 0.449 337 V N -3.432 116.476 119.914 -0.010 0.000 3.483 337 V HA 0.265 4.384 4.120 -0.001 0.000 0.301 337 V C 1.713 177.787 176.094 -0.034 0.000 1.389 337 V CA 0.684 62.970 62.300 -0.023 0.000 1.101 337 V CB -0.679 31.125 31.823 -0.032 0.000 0.971 337 V HN 0.467 nan 8.190 nan 0.000 0.434 338 R N 2.675 123.161 120.500 -0.023 0.000 2.133 338 R HA -0.228 4.111 4.340 -0.001 0.000 0.247 338 R C 1.767 178.052 176.300 -0.024 0.000 1.151 338 R CA 2.609 58.696 56.100 -0.022 0.000 0.971 338 R CB -0.215 30.076 30.300 -0.014 0.000 0.866 338 R HN 0.817 nan 8.270 nan 0.000 0.447 339 D N -1.450 118.938 120.400 -0.021 0.000 2.339 339 D HA -0.081 4.558 4.640 -0.001 0.000 0.217 339 D C -0.164 176.118 176.300 -0.030 0.000 1.050 339 D CA 0.058 54.047 54.000 -0.019 0.000 0.856 339 D CB -0.303 40.492 40.800 -0.009 0.000 0.922 339 D HN 0.026 nan 8.370 nan 0.000 0.518 340 N N 0.981 119.651 118.700 -0.050 0.000 2.699 340 N HA 0.181 4.920 4.740 -0.001 0.000 0.232 340 N C -1.977 173.460 175.510 -0.121 0.000 1.027 340 N CA -1.833 51.169 53.050 -0.081 0.000 0.920 340 N CB 1.788 40.213 38.487 -0.104 0.000 1.148 340 N HN -0.215 nan 8.380 nan 0.000 0.509 341 P HA -0.188 nan 4.420 nan 0.000 0.216 341 P C 0.988 178.201 177.300 -0.145 0.000 1.157 341 P CA 1.317 64.360 63.100 -0.095 0.000 0.880 341 P CB 0.456 32.118 31.700 -0.063 0.000 0.791 342 E N -0.956 119.136 120.200 -0.181 0.000 2.106 342 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 342 E C 1.895 178.243 176.600 -0.421 0.000 0.984 342 E CA 1.149 57.410 56.400 -0.232 0.000 0.806 342 E CB -0.425 29.193 29.700 -0.137 0.000 0.750 342 E HN 0.114 nan 8.360 nan 0.000 0.458 343 A N 0.733 123.180 122.820 -0.622 0.000 1.935 343 A HA -0.042 4.277 4.320 -0.001 0.000 0.214 343 A C 2.106 179.614 177.584 -0.127 0.000 1.178 343 A CA 0.874 52.571 52.037 -0.567 0.000 0.640 343 A CB -0.303 18.356 19.000 -0.568 0.000 0.825 343 A HN 0.127 nan 8.150 nan 0.000 0.447 344 R N 0.251 120.669 120.500 -0.137 0.000 2.081 344 R HA -0.179 4.160 4.340 -0.001 0.000 0.235 344 R C 2.238 178.496 176.300 -0.070 0.000 1.131 344 R CA 1.869 57.926 56.100 -0.071 0.000 0.960 344 R CB -0.272 29.988 30.300 -0.067 0.000 0.856 344 R HN 0.535 nan 8.270 nan 0.000 0.436 345 K N -0.418 119.901 120.400 -0.136 0.000 2.127 345 K HA -0.246 4.074 4.320 -0.001 0.000 0.208 345 K C 1.690 178.146 176.600 -0.241 0.000 1.047 345 K CA 1.984 58.152 56.287 -0.198 0.000 0.927 345 K CB -0.240 32.079 32.500 -0.301 0.000 0.716 345 K HN 0.315 nan 8.250 nan 0.000 0.450 346 Y N -0.213 120.042 120.300 -0.074 0.000 2.220 346 Y HA -0.151 4.399 4.550 -0.001 0.000 0.291 346 Y C 2.197 178.040 175.900 -0.095 0.000 1.129 346 Y CA 0.685 58.745 58.100 -0.065 0.000 1.161 346 Y CB -0.051 38.413 38.460 0.007 0.000 0.997 346 Y HN 0.080 nan 8.280 nan 0.000 0.522 347 I N 0.061 120.676 120.570 0.075 0.000 2.394 347 I HA -0.239 3.931 4.170 -0.001 0.000 0.251 347 I C 1.860 177.964 176.117 -0.023 0.000 1.136 347 I CA 1.293 62.603 61.300 0.016 0.000 1.425 347 I CB -0.457 37.544 38.000 0.001 0.000 1.079 347 I HN 0.167 nan 8.210 nan 0.000 0.425 348 L N -0.219 120.975 121.223 -0.050 0.000 2.131 348 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 348 L C 2.326 179.098 176.870 -0.163 0.000 1.092 348 L CA 1.270 56.096 54.840 -0.023 0.000 0.759 348 L CB -0.722 41.369 42.059 0.053 0.000 0.903 348 L HN 0.187 nan 8.230 nan 0.000 0.435 349 K N 0.211 120.345 120.400 -0.443 0.000 2.217 349 K HA -0.014 4.305 4.320 -0.001 0.000 0.202 349 K C 1.960 178.492 176.600 -0.114 0.000 1.051 349 K CA 1.015 56.929 56.287 -0.622 0.000 0.952 349 K CB -0.101 32.075 32.500 -0.540 0.000 0.736 349 K HN 0.229 nan 8.250 nan 0.000 0.453 350 A N 1.287 124.091 122.820 -0.028 0.000 2.235 350 A HA -0.087 4.232 4.320 -0.001 0.000 0.208 350 A C 1.376 179.071 177.584 0.186 0.000 1.172 350 A CA 0.630 52.697 52.037 0.050 0.000 0.786 350 A CB -0.157 18.843 19.000 -0.000 0.000 0.804 350 A HN 0.293 nan 8.150 nan 0.000 0.479 351 Q N -1.282 118.632 119.800 0.189 0.000 2.280 351 Q HA 0.110 4.450 4.340 -0.001 0.000 0.201 351 Q C 0.240 176.450 176.000 0.350 0.000 0.890 351 Q CA -0.422 55.538 55.803 0.262 0.000 0.947 351 Q CB 0.011 28.847 28.738 0.163 0.000 1.081 351 Q HN 0.564 nan 8.270 nan 0.000 0.502 352 C N 3.011 122.533 119.300 0.369 0.000 2.590 352 C HA -0.045 4.414 4.460 -0.001 0.000 0.411 352 C C 1.827 177.108 174.990 0.485 0.000 1.420 352 C CA 0.062 59.304 59.018 0.375 0.000 1.643 352 C CB -0.567 27.370 27.740 0.328 0.000 2.528 352 C HN 0.710 nan 8.230 nan 0.000 0.606 353 N N 3.530 122.493 118.700 0.439 0.000 2.084 353 N HA -0.159 4.581 4.740 -0.001 0.000 0.190 353 N C 1.145 177.104 175.510 0.749 0.000 1.030 353 N CA 2.218 55.631 53.050 0.605 0.000 0.849 353 N CB -0.362 38.362 38.487 0.396 0.000 1.012 353 N HN 0.775 nan 8.380 nan 0.000 0.423 354 D N 0.774 121.464 120.400 0.483 0.000 2.192 354 D HA -0.286 4.353 4.640 -0.001 0.000 0.189 354 D C 1.735 177.933 176.300 -0.171 0.000 1.007 354 D CA 2.178 56.254 54.000 0.127 0.000 0.859 354 D CB -0.596 40.249 40.800 0.075 0.000 0.936 354 D HN 0.595 nan 8.370 nan 0.000 0.447 355 A N -0.201 122.572 122.820 -0.078 0.000 2.172 355 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 355 A C 1.540 178.954 177.584 -0.284 0.000 1.154 355 A CA 0.693 52.569 52.037 -0.269 0.000 0.701 355 A CB -0.697 18.118 19.000 -0.309 0.000 0.789 355 A HN 0.304 nan 8.150 nan 0.000 0.465 356 Y N -1.066 119.279 120.300 0.075 0.000 2.523 356 Y HA 0.083 4.632 4.550 -0.001 0.000 0.279 356 Y C 1.042 176.936 175.900 -0.011 0.000 1.139 356 Y CA 0.207 58.400 58.100 0.154 0.000 1.296 356 Y CB 0.117 38.824 38.460 0.412 0.000 1.045 356 Y HN 0.696 nan 8.280 nan 0.000 0.538 357 W N -1.600 119.559 121.300 -0.235 0.000 3.039 357 W HA 0.590 5.249 4.660 -0.001 0.000 0.354 357 W C -1.649 174.607 176.519 -0.438 0.000 1.206 357 W CA -1.077 55.813 57.345 -0.758 0.000 1.134 357 W CB 0.841 29.456 29.460 -1.409 0.000 1.493 357 W HN -0.193 nan 8.180 nan 0.000 0.591 358 H N -0.531 118.301 119.070 -0.397 0.000 2.966 358 H HA 0.467 5.022 4.556 -0.001 0.000 0.347 358 H C -0.029 175.369 175.328 0.117 0.000 1.048 358 H CA 0.346 56.281 56.048 -0.188 0.000 1.295 358 H CB 1.840 31.647 29.762 0.074 0.000 1.744 358 H HN 0.643 nan 8.280 nan 0.000 0.513 359 G N 1.918 110.276 108.800 -0.737 0.000 2.534 359 G HA2 0.134 4.093 3.960 -0.001 0.000 0.224 359 G HA3 0.134 4.093 3.960 -0.001 0.000 0.224 359 G C 0.684 174.698 174.900 -1.477 0.000 1.822 359 G CA 0.486 44.733 45.100 -1.421 0.000 0.805 359 G HN 0.736 nan 8.290 nan 0.000 0.649 360 V N -3.812 115.362 119.914 -1.233 0.000 3.570 360 V HA 0.615 4.735 4.120 -0.001 0.000 0.257 360 V C 0.166 175.871 176.094 -0.649 0.000 1.272 360 V CA 0.032 61.808 62.300 -0.874 0.000 1.079 360 V CB 0.122 31.625 31.823 -0.533 0.000 0.829 360 V HN 0.292 nan 8.190 nan 0.000 0.454 361 F N 0.456 120.036 119.950 -0.618 0.000 2.628 361 F HA 0.747 5.273 4.527 -0.001 0.000 0.309 361 F C 0.540 176.250 175.800 -0.150 0.000 1.108 361 F CA 0.250 58.081 58.000 -0.282 0.000 0.971 361 F CB 1.324 40.139 39.000 -0.308 0.000 1.279 361 F HN 0.556 nan 8.300 nan 0.000 0.441 362 G N 3.030 111.016 108.800 -1.356 0.000 2.583 362 G HA2 0.209 4.169 3.960 -0.001 0.000 0.292 362 G HA3 0.209 4.169 3.960 -0.001 0.000 0.292 362 G C 1.177 175.781 174.900 -0.492 0.000 1.203 362 G CA 1.096 45.526 45.100 -1.118 0.000 0.987 362 G HN 2.650 nan 8.290 nan 0.000 0.554 363 G N -0.696 107.763 108.800 -0.568 0.000 2.565 363 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.295 363 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.295 363 G C 1.363 175.962 174.900 -0.501 0.000 1.165 363 G CA 1.586 46.327 45.100 -0.600 0.000 0.977 363 G HN 2.000 nan 8.290 nan 0.000 0.546 364 I N 0.275 120.541 120.570 -0.506 0.000 2.756 364 I HA 0.066 4.235 4.170 -0.001 0.000 0.262 364 I C 2.212 177.970 176.117 -0.598 0.000 1.225 364 I CA 1.298 62.274 61.300 -0.539 0.000 1.472 364 I CB -0.052 37.568 38.000 -0.635 0.000 1.094 364 I HN 0.501 nan 8.210 nan 0.000 0.454 365 Y N 0.623 120.595 120.300 -0.547 0.000 2.529 365 Y HA 0.139 4.688 4.550 -0.001 0.000 0.290 365 Y C 0.546 176.214 175.900 -0.387 0.000 1.177 365 Y CA 0.163 57.973 58.100 -0.483 0.000 1.305 365 Y CB 0.135 38.233 38.460 -0.603 0.000 1.047 365 Y HN 0.020 nan 8.280 nan 0.000 0.522 366 L N 1.817 122.840 121.223 -0.333 0.000 2.270 366 L HA 0.195 4.534 4.340 -0.001 0.000 0.286 366 L C -1.658 175.010 176.870 -0.337 0.000 1.059 366 L CA -1.743 52.892 54.840 -0.342 0.000 0.839 366 L CB 1.067 42.774 42.059 -0.588 0.000 1.221 366 L HN -0.059 nan 8.230 nan 0.000 0.431 367 P HA -0.256 nan 4.420 nan 0.000 0.218 367 P C 1.405 178.689 177.300 -0.026 0.000 1.154 367 P CA 1.588 64.519 63.100 -0.282 0.000 0.872 367 P CB -0.057 31.256 31.700 -0.644 0.000 0.790 368 H N -1.572 117.472 119.070 -0.044 0.000 2.495 368 H HA 0.041 4.596 4.556 -0.001 0.000 0.287 368 H C 1.847 177.161 175.328 -0.022 0.000 1.033 368 H CA 0.812 56.877 56.048 0.027 0.000 1.307 368 H CB -1.278 28.509 29.762 0.042 0.000 1.401 368 H HN 0.193 nan 8.280 nan 0.000 0.555 369 L N 0.334 121.278 121.223 -0.466 0.000 2.095 369 L HA -0.003 4.337 4.340 -0.001 0.000 0.204 369 L C 3.026 179.800 176.870 -0.160 0.000 1.080 369 L CA 0.648 55.292 54.840 -0.327 0.000 0.759 369 L CB -0.234 41.558 42.059 -0.445 0.000 0.914 369 L HN 0.132 nan 8.230 nan 0.000 0.439 370 R N 0.029 120.442 120.500 -0.145 0.000 2.070 370 R HA -0.132 4.207 4.340 -0.001 0.000 0.233 370 R C 2.374 178.761 176.300 0.145 0.000 1.137 370 R CA 1.184 57.268 56.100 -0.027 0.000 0.945 370 R CB -0.345 29.975 30.300 0.033 0.000 0.845 370 R HN 0.315 nan 8.270 nan 0.000 0.430 371 R N -0.094 120.513 120.500 0.178 0.000 2.139 371 R HA -0.110 4.230 4.340 -0.001 0.000 0.243 371 R C 2.103 178.516 176.300 0.188 0.000 1.145 371 R CA 1.687 57.926 56.100 0.231 0.000 0.976 371 R CB -0.374 30.062 30.300 0.226 0.000 0.866 371 R HN 0.276 nan 8.270 nan 0.000 0.449 372 T N 0.458 115.087 114.554 0.125 0.000 2.867 372 T HA -0.054 4.295 4.350 -0.001 0.000 0.268 372 T C 1.963 176.712 174.700 0.081 0.000 1.057 372 T CA 0.991 63.158 62.100 0.113 0.000 1.136 372 T CB -0.000 68.929 68.868 0.103 0.000 0.874 372 T HN 0.006 nan 8.240 nan 0.000 0.466 373 V N -0.302 119.623 119.914 0.018 0.000 2.283 373 V HA -0.119 4.000 4.120 -0.001 0.000 0.243 373 V C 2.057 178.099 176.094 -0.086 0.000 1.039 373 V CA 1.316 63.563 62.300 -0.088 0.000 1.016 373 V CB -0.701 30.941 31.823 -0.302 0.000 0.650 373 V HN 0.582 nan 8.190 nan 0.000 0.449 374 W N 0.484 121.776 121.300 -0.012 0.000 2.363 374 W HA -0.151 4.509 4.660 -0.001 0.000 0.296 374 W C 2.560 179.074 176.519 -0.009 0.000 1.212 374 W CA 1.646 58.986 57.345 -0.008 0.000 1.260 374 W CB -0.105 29.352 29.460 -0.005 0.000 1.131 374 W HN 0.297 nan 8.180 nan 0.000 0.530 375 E N 0.741 121.075 120.200 0.224 0.000 2.038 375 E HA -0.275 4.075 4.350 -0.001 0.000 0.195 375 E C 1.494 178.140 176.600 0.076 0.000 1.000 375 E CA 1.884 58.360 56.400 0.127 0.000 0.803 375 E CB -0.338 29.432 29.700 0.116 0.000 0.750 375 E HN 0.318 nan 8.360 nan 0.000 0.448 376 N N 0.086 118.838 118.700 0.086 0.000 2.331 376 N HA -0.041 4.698 4.740 -0.001 0.000 0.180 376 N C 1.755 177.296 175.510 0.052 0.000 1.019 376 N CA 0.846 53.951 53.050 0.091 0.000 0.881 376 N CB 0.030 38.581 38.487 0.106 0.000 0.972 376 N HN 0.236 nan 8.380 nan 0.000 0.435 377 I N 0.435 121.020 120.570 0.025 0.000 2.193 377 I HA -0.192 3.977 4.170 -0.001 0.000 0.240 377 I C 1.743 177.885 176.117 0.042 0.000 1.084 377 I CA 1.013 62.312 61.300 -0.002 0.000 1.365 377 I CB -0.169 37.778 38.000 -0.089 0.000 1.064 377 I HN 0.104 nan 8.210 nan 0.000 0.410 378 I N 0.652 121.272 120.570 0.083 0.000 2.226 378 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 378 I C 2.438 178.532 176.117 -0.038 0.000 1.100 378 I CA 1.486 62.816 61.300 0.050 0.000 1.374 378 I CB -0.430 37.604 38.000 0.056 0.000 1.057 378 I HN 0.154 nan 8.210 nan 0.000 0.413 379 K N 0.822 121.147 120.400 -0.126 0.000 2.148 379 K HA -0.104 4.215 4.320 -0.001 0.000 0.204 379 K C 2.239 178.725 176.600 -0.189 0.000 1.050 379 K CA 1.331 57.414 56.287 -0.340 0.000 0.942 379 K CB -0.153 31.875 32.500 -0.786 0.000 0.724 379 K HN 0.331 nan 8.250 nan 0.000 0.446 380 A N 1.108 123.919 122.820 -0.014 0.000 1.872 380 A HA -0.186 4.133 4.320 -0.001 0.000 0.214 380 A C 2.064 179.747 177.584 0.165 0.000 1.187 380 A CA 1.132 53.256 52.037 0.145 0.000 0.614 380 A CB -0.386 18.679 19.000 0.108 0.000 0.826 380 A HN 0.271 nan 8.150 nan 0.000 0.442 381 Q N -0.123 119.729 119.800 0.088 0.000 2.167 381 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 381 Q C 2.095 178.145 176.000 0.084 0.000 0.970 381 Q CA 1.437 57.288 55.803 0.079 0.000 0.855 381 Q CB -0.111 28.657 28.738 0.051 0.000 0.911 381 Q HN 0.793 nan 8.270 nan 0.000 0.438 382 R N -1.286 119.236 120.500 0.038 0.000 2.303 382 R HA -0.172 4.167 4.340 -0.001 0.000 0.225 382 R C 1.065 177.332 176.300 -0.055 0.000 1.114 382 R CA 1.428 57.501 56.100 -0.044 0.000 1.007 382 R CB -0.540 29.673 30.300 -0.146 0.000 0.861 382 R HN 0.282 nan 8.270 nan 0.000 0.471 383 Y N 1.075 121.363 120.300 -0.020 0.000 2.516 383 Y HA 0.180 4.730 4.550 -0.001 0.000 0.291 383 Y C 0.848 176.753 175.900 0.008 0.000 1.131 383 Y CA 0.186 58.288 58.100 0.004 0.000 1.281 383 Y CB 0.319 38.795 38.460 0.027 0.000 1.013 383 Y HN -0.045 nan 8.280 nan 0.000 0.554 384 L N 0.640 121.949 121.223 0.144 0.000 2.379 384 L HA 0.261 4.600 4.340 -0.001 0.000 0.269 384 L C 0.131 177.034 176.870 0.054 0.000 1.084 384 L CA -0.910 53.984 54.840 0.090 0.000 0.802 384 L CB 1.025 43.128 42.059 0.073 0.000 1.175 384 L HN -0.107 nan 8.230 nan 0.000 0.448 385 K N 2.044 122.472 120.400 0.047 0.000 2.382 385 K HA 0.207 4.526 4.320 -0.001 0.000 0.275 385 K C -2.236 174.385 176.600 0.036 0.000 1.009 385 K CA -1.518 54.791 56.287 0.035 0.000 0.970 385 K CB 0.082 32.603 32.500 0.034 0.000 0.934 385 K HN 0.277 nan 8.250 nan 0.000 0.479 386 P HA -0.040 nan 4.420 nan 0.000 0.266 386 P C -1.044 176.282 177.300 0.043 0.000 1.195 386 P CA 0.274 63.400 63.100 0.043 0.000 0.768 386 P CB 0.480 32.209 31.700 0.048 0.000 0.838 387 E N 2.462 122.688 120.200 0.045 0.000 2.428 387 E HA 0.130 4.479 4.350 -0.001 0.000 0.307 387 E C -1.045 175.579 176.600 0.040 0.000 0.902 387 E CA -0.649 55.775 56.400 0.041 0.000 0.799 387 E CB 0.646 30.368 29.700 0.036 0.000 1.351 387 E HN 0.304 nan 8.360 nan 0.000 0.392 388 N N 3.670 122.394 118.700 0.040 0.000 2.479 388 N HA 0.194 4.934 4.740 -0.001 0.000 0.257 388 N C -0.612 174.916 175.510 0.030 0.000 1.232 388 N CA 0.417 53.488 53.050 0.035 0.000 0.920 388 N CB 0.900 39.408 38.487 0.034 0.000 1.105 388 N HN 0.537 nan 8.380 nan 0.000 0.444 389 K N -0.283 120.130 120.400 0.022 0.000 2.587 389 K HA 0.432 4.751 4.320 -0.001 0.000 0.276 389 K C -1.652 174.952 176.600 0.007 0.000 0.956 389 K CA -0.787 55.514 56.287 0.022 0.000 0.857 389 K CB 1.108 33.624 32.500 0.026 0.000 1.431 389 K HN 0.112 nan 8.250 nan 0.000 0.420 390 I N 3.757 124.335 120.570 0.013 0.000 2.378 390 I HA 0.534 4.703 4.170 -0.001 0.000 0.291 390 I C -0.266 175.865 176.117 0.023 0.000 0.992 390 I CA -0.699 60.600 61.300 -0.002 0.000 1.154 390 I CB 0.772 38.785 38.000 0.021 0.000 1.315 390 I HN 0.797 nan 8.210 nan 0.000 0.448 391 L N 2.914 124.150 121.223 0.021 0.000 2.731 391 L HA 0.538 4.877 4.340 -0.001 0.000 0.256 391 L C -1.336 175.560 176.870 0.042 0.000 0.947 391 L CA -0.857 54.007 54.840 0.039 0.000 0.914 391 L CB 2.313 44.396 42.059 0.040 0.000 1.470 391 L HN 0.331 nan 8.230 nan 0.000 0.421 392 D N 1.752 122.190 120.400 0.063 0.000 2.374 392 D HA 0.363 5.002 4.640 -0.001 0.000 0.240 392 D C 0.655 176.981 176.300 0.044 0.000 1.229 392 D CA -0.133 53.907 54.000 0.068 0.000 0.895 392 D CB 1.565 42.429 40.800 0.106 0.000 1.046 392 D HN 0.436 nan 8.370 nan 0.000 0.498 393 V N 3.246 123.144 119.914 -0.027 0.000 2.302 393 V HA -0.140 3.979 4.120 -0.001 0.000 0.243 393 V C 1.429 177.258 176.094 -0.441 0.000 1.036 393 V CA 1.840 64.029 62.300 -0.185 0.000 1.020 393 V CB -0.545 31.221 31.823 -0.095 0.000 0.657 393 V HN 0.686 nan 8.190 nan 0.000 0.453 394 D N -0.852 119.424 120.400 -0.207 0.000 2.370 394 D HA 0.039 4.679 4.640 -0.001 0.000 0.230 394 D C 0.494 176.740 176.300 -0.090 0.000 1.143 394 D CA -0.567 53.298 54.000 -0.225 0.000 0.834 394 D CB -1.259 39.565 40.800 0.040 0.000 0.944 394 D HN 0.440 nan 8.370 nan 0.000 0.504 395 F N 0.833 120.797 119.950 0.024 0.000 2.943 395 F HA -0.254 4.272 4.527 -0.001 0.000 0.258 395 F C 0.392 176.206 175.800 0.024 0.000 0.995 395 F CA 0.337 58.347 58.000 0.017 0.000 0.896 395 F CB -1.094 37.918 39.000 0.019 0.000 0.821 395 F HN 0.263 nan 8.300 nan 0.000 0.828 396 D N -0.622 119.877 120.400 0.164 0.000 2.469 396 D HA 0.309 4.949 4.640 -0.001 0.000 0.213 396 D C 1.501 177.825 176.300 0.039 0.000 1.135 396 D CA 0.624 54.681 54.000 0.096 0.000 0.834 396 D CB 0.533 41.370 40.800 0.061 0.000 1.009 396 D HN 0.487 nan 8.370 nan 0.000 0.507 397 G N 0.804 109.629 108.800 0.042 0.000 2.176 397 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.253 397 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.253 397 G C 0.091 174.957 174.900 -0.056 0.000 0.979 397 G CA -0.145 44.959 45.100 0.006 0.000 0.641 397 G HN 0.428 nan 8.290 nan 0.000 0.530 398 R N 0.469 120.877 120.500 -0.153 0.000 2.371 398 R HA 0.649 4.989 4.340 -0.001 0.000 0.312 398 R C 0.577 176.698 176.300 -0.298 0.000 0.980 398 R CA -0.080 55.830 56.100 -0.317 0.000 0.867 398 R CB 1.552 31.448 30.300 -0.674 0.000 1.163 398 R HN 0.593 nan 8.270 nan 0.000 0.492 399 A N 2.862 125.625 122.820 -0.094 0.000 2.586 399 A HA -0.018 4.302 4.320 -0.001 0.000 0.231 399 A C 0.042 177.649 177.584 0.039 0.000 1.055 399 A CA 0.340 52.372 52.037 -0.009 0.000 0.756 399 A CB 0.200 19.221 19.000 0.034 0.000 0.988 399 A HN 0.608 nan 8.150 nan 0.000 0.509 400 E N 0.065 120.294 120.200 0.049 0.000 2.227 400 E HA 0.635 4.984 4.350 -0.001 0.000 0.268 400 E C -0.693 175.883 176.600 -0.039 0.000 0.990 400 E CA -0.271 56.166 56.400 0.062 0.000 0.856 400 E CB 1.397 31.164 29.700 0.112 0.000 1.159 400 E HN 0.478 nan 8.360 nan 0.000 0.401 401 I N 2.556 123.076 120.570 -0.082 0.000 2.390 401 I HA 0.271 4.440 4.170 -0.001 0.000 0.283 401 I C -0.500 175.588 176.117 -0.049 0.000 1.016 401 I CA -0.235 60.986 61.300 -0.133 0.000 1.151 401 I CB 0.651 38.499 38.000 -0.252 0.000 1.293 401 I HN 0.294 nan 8.210 nan 0.000 0.458 402 M N 6.761 126.353 119.600 -0.013 0.000 2.055 402 M HA 0.388 4.867 4.480 -0.001 0.000 0.347 402 M C -0.876 175.436 176.300 0.020 0.000 1.123 402 M CA -0.582 54.731 55.300 0.023 0.000 1.035 402 M CB 1.430 34.056 32.600 0.044 0.000 1.484 402 M HN 0.221 nan 8.290 nan 0.000 0.428 403 V N 4.075 124.001 119.914 0.020 0.000 2.435 403 V HA 0.522 4.642 4.120 -0.001 0.000 0.290 403 V C -0.270 175.862 176.094 0.063 0.000 1.030 403 V CA -0.549 61.770 62.300 0.030 0.000 0.881 403 V CB 1.663 33.492 31.823 0.011 0.000 0.983 403 V HN 0.860 nan 8.190 nan 0.000 0.445 404 E N 3.329 123.575 120.200 0.076 0.000 2.372 404 E HA 0.624 4.974 4.350 -0.001 0.000 0.279 404 E C -1.415 175.250 176.600 0.108 0.000 0.946 404 E CA -1.023 55.441 56.400 0.107 0.000 0.769 404 E CB 2.378 32.133 29.700 0.092 0.000 1.230 404 E HN 0.674 nan 8.360 nan 0.000 0.442 405 N N 0.280 119.066 118.700 0.144 0.000 3.201 405 N HA 0.219 4.958 4.740 -0.001 0.000 0.344 405 N C -0.121 175.446 175.510 0.096 0.000 1.465 405 N CA -0.722 52.403 53.050 0.126 0.000 0.731 405 N CB 0.193 38.778 38.487 0.164 0.000 1.677 405 N HN 0.402 nan 8.380 nan 0.000 0.631 406 D N -1.419 119.023 120.400 0.069 0.000 2.263 406 D HA -0.009 4.631 4.640 -0.001 0.000 0.208 406 D C 1.123 177.396 176.300 -0.045 0.000 0.971 406 D CA 1.486 55.494 54.000 0.014 0.000 0.867 406 D CB -0.170 40.636 40.800 0.010 0.000 0.929 406 D HN 0.762 nan 8.370 nan 0.000 0.492 407 G N -1.143 107.635 108.800 -0.036 0.000 2.784 407 G HA2 0.207 4.167 3.960 -0.001 0.000 0.208 407 G HA3 0.207 4.167 3.960 -0.001 0.000 0.208 407 G C 0.279 174.725 174.900 -0.757 0.000 1.120 407 G CA -0.114 44.761 45.100 -0.376 0.000 0.774 407 G HN 0.048 nan 8.290 nan 0.000 0.528 408 F N -0.907 119.091 119.950 0.080 0.000 2.664 408 F HA 0.676 5.202 4.527 -0.001 0.000 0.317 408 F C -0.577 175.265 175.800 0.070 0.000 1.108 408 F CA -1.299 56.757 58.000 0.094 0.000 0.957 408 F CB 1.817 40.902 39.000 0.142 0.000 1.365 408 F HN -0.275 nan 8.300 nan 0.000 0.475 409 I N 1.631 122.368 120.570 0.278 0.000 2.500 409 I HA 0.609 4.779 4.170 -0.001 0.000 0.286 409 I C -1.056 175.153 176.117 0.153 0.000 1.063 409 I CA -0.739 60.664 61.300 0.171 0.000 1.062 409 I CB 1.789 39.867 38.000 0.130 0.000 1.223 409 I HN 0.677 nan 8.210 nan 0.000 0.435 410 A N 4.312 127.193 122.820 0.102 0.000 2.291 410 A HA 0.756 5.076 4.320 -0.001 0.000 0.311 410 A C -0.313 177.289 177.584 0.031 0.000 1.224 410 A CA -0.430 51.624 52.037 0.028 0.000 0.821 410 A CB 0.820 19.787 19.000 -0.056 0.000 1.172 410 A HN 0.578 nan 8.150 nan 0.000 0.494 411 T N 3.516 118.111 114.554 0.069 0.000 2.767 411 T HA 0.564 4.914 4.350 -0.001 0.000 0.284 411 T C -0.112 174.605 174.700 0.029 0.000 0.973 411 T CA 0.137 62.302 62.100 0.109 0.000 0.996 411 T CB 0.388 69.454 68.868 0.330 0.000 0.927 411 T HN 0.476 nan 8.240 nan 0.000 0.456 412 I N 2.668 123.227 120.570 -0.020 0.000 2.603 412 I HA 0.422 4.591 4.170 -0.001 0.000 0.300 412 I C 0.205 176.260 176.117 -0.104 0.000 1.017 412 I CA -0.948 60.315 61.300 -0.063 0.000 1.098 412 I CB 2.032 39.966 38.000 -0.110 0.000 1.279 412 I HN 0.323 nan 8.210 nan 0.000 0.437 413 K N 6.012 126.307 120.400 -0.175 0.000 2.478 413 K HA 0.300 4.619 4.320 -0.001 0.000 0.236 413 K C -2.090 174.299 176.600 -0.352 0.000 1.021 413 K CA -1.450 54.556 56.287 -0.469 0.000 1.010 413 K CB 1.455 33.325 32.500 -1.052 0.000 1.331 413 K HN 0.203 nan 8.250 nan 0.000 0.470 414 P HA -0.233 nan 4.420 nan 0.000 0.216 414 P C 0.898 178.269 177.300 0.118 0.000 1.150 414 P CA 1.288 64.424 63.100 0.059 0.000 0.843 414 P CB 0.076 31.892 31.700 0.194 0.000 0.787 415 H N -2.883 116.231 119.070 0.074 0.000 2.489 415 H HA -0.083 4.473 4.556 -0.001 0.000 0.293 415 H C 0.260 175.683 175.328 0.158 0.000 1.066 415 H CA 0.789 56.898 56.048 0.101 0.000 1.305 415 H CB -1.203 28.600 29.762 0.069 0.000 1.386 415 H HN 0.219 nan 8.280 nan 0.000 0.551 416 Y N 1.277 121.446 120.300 -0.219 0.000 2.686 416 Y HA 0.419 4.969 4.550 -0.001 0.000 0.331 416 Y C 0.964 176.877 175.900 0.022 0.000 0.996 416 Y CA -0.069 58.010 58.100 -0.036 0.000 1.293 416 Y CB 0.619 39.042 38.460 -0.062 0.000 1.092 416 Y HN 0.442 nan 8.280 nan 0.000 0.524 417 G N 2.957 111.693 108.800 -0.107 0.000 2.212 417 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.267 417 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.267 417 G C 1.115 175.562 174.900 -0.755 0.000 1.002 417 G CA 0.471 45.426 45.100 -0.242 0.000 0.729 417 G HN 1.843 nan 8.290 nan 0.000 0.517 418 G N -1.223 107.227 108.800 -0.584 0.000 2.361 418 G HA2 0.039 3.998 3.960 -0.001 0.000 0.294 418 G HA3 0.039 3.998 3.960 -0.001 0.000 0.294 418 G C 0.655 175.357 174.900 -0.330 0.000 1.004 418 G CA 1.453 46.242 45.100 -0.518 0.000 0.870 418 G HN 2.245 nan 8.290 nan 0.000 0.510 419 S N -1.278 114.334 115.700 -0.146 0.000 2.722 419 S HA 0.764 5.233 4.470 -0.001 0.000 0.292 419 S C 0.249 174.831 174.600 -0.031 0.000 1.135 419 S CA -1.147 56.995 58.200 -0.096 0.000 1.003 419 S CB 2.090 65.230 63.200 -0.100 0.000 1.067 419 S HN 0.364 nan 8.310 nan 0.000 0.546 420 I N 1.688 122.164 120.570 -0.156 0.000 2.379 420 I HA 0.188 4.358 4.170 -0.001 0.000 0.290 420 I C -0.216 175.791 176.117 -0.183 0.000 1.063 420 I CA -0.152 61.048 61.300 -0.166 0.000 1.351 420 I CB 0.171 37.975 38.000 -0.326 0.000 1.410 420 I HN 0.624 nan 8.210 nan 0.000 0.505 421 F N 3.924 123.712 119.950 -0.271 0.000 2.746 421 F HA 0.220 4.746 4.527 -0.001 0.000 0.297 421 F C 1.073 176.688 175.800 -0.308 0.000 1.113 421 F CA 0.135 57.927 58.000 -0.348 0.000 1.367 421 F CB 0.378 39.040 39.000 -0.563 0.000 1.111 421 F HN 0.420 nan 8.300 nan 0.000 0.590 422 E N 0.638 120.812 120.200 -0.043 0.000 2.321 422 E HA 0.427 4.777 4.350 -0.001 0.000 0.278 422 E C -1.895 174.677 176.600 -0.046 0.000 0.902 422 E CA -0.697 55.688 56.400 -0.025 0.000 0.758 422 E CB 1.902 31.743 29.700 0.234 0.000 1.213 422 E HN -0.033 nan 8.360 nan 0.000 0.426 423 L N 3.592 124.773 121.223 -0.070 0.000 2.489 423 L HA 0.384 4.723 4.340 -0.001 0.000 0.257 423 L C -1.595 175.334 176.870 0.100 0.000 1.215 423 L CA -0.112 54.750 54.840 0.037 0.000 0.915 423 L CB 1.317 43.372 42.059 -0.007 0.000 1.146 423 L HN 0.365 nan 8.230 nan 0.000 0.494 424 S N 1.259 117.010 115.700 0.085 0.000 2.452 424 S HA 0.410 4.879 4.470 -0.001 0.000 0.284 424 S C 0.175 174.841 174.600 0.110 0.000 1.171 424 S CA -0.246 57.967 58.200 0.023 0.000 1.064 424 S CB 1.129 64.349 63.200 0.033 0.000 0.967 424 S HN 0.628 nan 8.310 nan 0.000 0.484 425 S N 2.977 118.666 115.700 -0.019 0.000 2.474 425 S HA 0.199 4.668 4.470 -0.001 0.000 0.276 425 S C 0.955 175.427 174.600 -0.214 0.000 1.227 425 S CA -0.623 57.498 58.200 -0.132 0.000 1.050 425 S CB 0.296 63.447 63.200 -0.082 0.000 0.939 425 S HN 0.665 nan 8.310 nan 0.000 0.490 426 K N 3.541 123.755 120.400 -0.311 0.000 2.365 426 K HA -0.014 4.305 4.320 -0.001 0.000 0.199 426 K C 2.136 178.619 176.600 -0.195 0.000 1.045 426 K CA 0.592 56.753 56.287 -0.211 0.000 0.962 426 K CB 0.061 32.441 32.500 -0.200 0.000 0.759 426 K HN 0.603 nan 8.250 nan 0.000 0.469 427 R N 1.395 121.761 120.500 -0.223 0.000 2.075 427 R HA 0.005 4.344 4.340 -0.001 0.000 0.220 427 R C 1.604 177.843 176.300 -0.101 0.000 1.118 427 R CA 1.068 57.079 56.100 -0.148 0.000 0.986 427 R CB 0.253 30.471 30.300 -0.137 0.000 0.884 427 R HN -0.055 nan 8.270 nan 0.000 0.439 428 K N -0.039 120.303 120.400 -0.097 0.000 2.366 428 K HA 0.144 4.464 4.320 -0.001 0.000 0.198 428 K C 0.477 177.031 176.600 -0.076 0.000 1.044 428 K CA 0.603 56.849 56.287 -0.069 0.000 0.973 428 K CB 0.449 32.908 32.500 -0.068 0.000 0.767 428 K HN 0.310 nan 8.250 nan 0.000 0.475 429 A N 1.088 123.850 122.820 -0.096 0.000 2.745 429 A HA -0.151 4.168 4.320 -0.001 0.000 0.296 429 A C -0.058 177.497 177.584 -0.049 0.000 1.500 429 A CA 0.826 52.824 52.037 -0.065 0.000 0.766 429 A CB -1.956 17.015 19.000 -0.047 0.000 1.030 429 A HN 0.169 nan 8.150 nan 0.000 0.489 430 V N -0.373 119.460 119.914 -0.136 0.000 3.040 430 V HA 0.691 4.810 4.120 -0.001 0.000 0.312 430 V C -0.005 175.889 176.094 -0.333 0.000 1.115 430 V CA -0.417 61.769 62.300 -0.190 0.000 0.998 430 V CB 2.097 33.770 31.823 -0.250 0.000 1.042 430 V HN 0.711 nan 8.190 nan 0.000 0.433 431 N N 3.127 121.610 118.700 -0.362 0.000 2.511 431 N HA 0.327 5.066 4.740 -0.001 0.000 0.249 431 N C 0.036 175.319 175.510 -0.378 0.000 0.971 431 N CA -0.461 52.299 53.050 -0.483 0.000 0.938 431 N CB 0.883 38.812 38.487 -0.930 0.000 1.131 431 N HN 0.727 nan 8.380 nan 0.000 0.505 432 Y N 2.189 122.406 120.300 -0.138 0.000 2.384 432 Y HA -0.171 4.379 4.550 -0.001 0.000 0.289 432 Y C 1.671 177.482 175.900 -0.148 0.000 1.152 432 Y CA 0.676 58.716 58.100 -0.101 0.000 1.258 432 Y CB 0.099 38.502 38.460 -0.094 0.000 0.979 432 Y HN 0.609 nan 8.280 nan 0.000 0.549 433 N N -0.015 118.631 118.700 -0.089 0.000 2.273 433 N HA -0.040 4.699 4.740 -0.001 0.000 0.231 433 N C -0.442 174.975 175.510 -0.154 0.000 1.134 433 N CA -0.015 52.961 53.050 -0.123 0.000 0.856 433 N CB -0.158 38.221 38.487 -0.179 0.000 1.068 433 N HN -0.041 nan 8.380 nan 0.000 0.510 434 D N 1.173 121.465 120.400 -0.181 0.000 2.736 434 D HA -0.015 4.625 4.640 -0.001 0.000 0.228 434 D C 0.239 176.576 176.300 0.063 0.000 1.077 434 D CA 0.026 53.942 54.000 -0.141 0.000 1.096 434 D CB -0.445 40.261 40.800 -0.157 0.000 1.138 434 D HN 0.200 nan 8.370 nan 0.000 0.461 435 V N -1.307 118.619 119.914 0.021 0.000 3.240 435 V HA 0.711 4.831 4.120 -0.001 0.000 0.306 435 V C -0.318 175.763 176.094 -0.021 0.000 1.227 435 V CA -0.941 61.383 62.300 0.040 0.000 1.047 435 V CB 1.940 33.777 31.823 0.023 0.000 1.203 435 V HN 0.044 nan 8.190 nan 0.000 0.471 436 L N 1.141 122.343 121.223 -0.035 0.000 2.472 436 L HA 0.596 4.936 4.340 -0.001 0.000 0.260 436 L C -2.691 174.178 176.870 -0.001 0.000 0.963 436 L CA -1.576 53.225 54.840 -0.065 0.000 0.829 436 L CB 2.984 44.930 42.059 -0.188 0.000 1.348 436 L HN 0.573 nan 8.230 nan 0.000 0.408 437 P HA 0.253 nan 4.420 nan 0.000 0.277 437 P C -1.174 176.218 177.300 0.153 0.000 1.271 437 P CA -0.678 62.462 63.100 0.066 0.000 0.795 437 P CB 0.779 32.507 31.700 0.048 0.000 1.101 438 R N 0.941 121.561 120.500 0.201 0.000 2.205 438 R HA 0.360 4.700 4.340 -0.001 0.000 0.342 438 R C 0.509 177.060 176.300 0.417 0.000 1.058 438 R CA -0.215 56.077 56.100 0.320 0.000 0.904 438 R CB 0.560 31.034 30.300 0.289 0.000 1.089 438 R HN 0.385 nan 8.270 nan 0.000 0.471 439 R N 1.834 122.592 120.500 0.430 0.000 2.711 439 R HA 0.193 4.532 4.340 -0.001 0.000 0.284 439 R C -0.956 175.470 176.300 0.210 0.000 0.968 439 R CA -0.942 55.356 56.100 0.330 0.000 0.924 439 R CB 1.722 32.193 30.300 0.285 0.000 1.162 439 R HN 0.499 nan 8.270 nan 0.000 0.465 440 W N 3.698 124.762 121.300 -0.393 0.000 2.356 440 W HA 0.090 4.749 4.660 -0.001 0.000 0.311 440 W C -0.422 175.794 176.519 -0.504 0.000 1.328 440 W CA 0.065 56.959 57.345 -0.750 0.000 1.251 440 W CB 0.694 29.571 29.460 -0.972 0.000 1.280 440 W HN 0.350 nan 8.180 nan 0.000 0.524 441 E N 4.259 123.412 120.200 -1.746 0.000 2.227 441 E HA 0.002 4.351 4.350 -0.001 0.000 0.268 441 E C 1.431 176.773 176.600 -2.095 0.000 0.990 441 E CA -0.384 55.105 56.400 -1.519 0.000 0.856 441 E CB 0.793 29.555 29.700 -1.564 0.000 1.159 441 E HN 0.745 nan 8.360 nan 0.000 0.401 442 H N 1.217 119.459 119.070 -1.381 0.000 2.423 442 H HA -0.163 4.392 4.556 -0.001 0.000 0.297 442 H C 1.357 176.438 175.328 -0.412 0.000 1.075 442 H CA 1.453 56.924 56.048 -0.961 0.000 1.342 442 H CB -0.577 29.045 29.762 -0.234 0.000 1.395 442 H HN 0.610 nan 8.280 nan 0.000 0.530 443 Y N 0.327 120.116 120.300 -0.852 0.000 2.632 443 Y HA 0.143 4.693 4.550 -0.001 0.000 0.301 443 Y C 1.647 177.634 175.900 0.145 0.000 1.172 443 Y CA -0.086 57.798 58.100 -0.360 0.000 1.328 443 Y CB -1.286 36.949 38.460 -0.375 0.000 1.016 443 Y HN 0.283 nan 8.280 nan 0.000 0.529 444 H N 0.306 119.309 119.070 -0.112 0.000 2.502 444 H HA 0.039 4.594 4.556 -0.001 0.000 0.283 444 H C 0.363 175.818 175.328 0.212 0.000 1.015 444 H CA 0.530 56.687 56.048 0.181 0.000 1.298 444 H CB 0.463 30.206 29.762 -0.031 0.000 1.411 444 H HN 0.386 nan 8.280 nan 0.000 0.556 445 E N 2.222 122.631 120.200 0.348 0.000 1.993 445 E HA 0.197 4.546 4.350 -0.001 0.000 0.271 445 E C -0.929 175.819 176.600 0.246 0.000 1.008 445 E CA -0.285 56.312 56.400 0.328 0.000 0.814 445 E CB 0.753 30.721 29.700 0.445 0.000 1.098 445 E HN 0.018 nan 8.360 nan 0.000 0.407 470 I N 4.556 124.627 120.570 -0.832 0.000 2.828 470 I HA -0.017 4.152 4.170 -0.001 0.000 0.292 470 I C -1.752 174.082 176.117 -0.472 0.000 1.206 470 I CA -0.693 59.952 61.300 -1.092 0.000 1.420 470 I CB -0.084 37.268 38.000 -1.080 0.000 1.368 470 I HN 0.544 nan 8.210 nan 0.000 0.556 471 P HA -0.024 nan 4.420 nan 0.000 0.300 471 P C 0.418 177.630 177.300 -0.147 0.000 1.294 471 P CA -0.044 62.959 63.100 -0.161 0.000 0.757 471 P CB 0.565 32.209 31.700 -0.094 0.000 1.377 472 E N -1.108 119.040 120.200 -0.087 0.000 2.421 472 E HA -0.062 4.287 4.350 -0.001 0.000 0.209 472 E C 1.494 178.070 176.600 -0.040 0.000 0.871 472 E CA 0.409 56.769 56.400 -0.066 0.000 1.064 472 E CB -0.380 29.292 29.700 -0.047 0.000 1.075 472 E HN 0.469 nan 8.360 nan 0.000 0.513 473 E N 0.448 120.631 120.200 -0.028 0.000 2.338 473 E HA -0.120 4.229 4.350 -0.001 0.000 0.197 473 E C 1.663 178.277 176.600 0.024 0.000 1.007 473 E CA 0.959 57.360 56.400 0.001 0.000 0.849 473 E CB -0.016 29.689 29.700 0.008 0.000 0.774 473 E HN 0.360 nan 8.360 nan 0.000 0.506 474 I N 0.037 120.599 120.570 -0.013 0.000 3.039 474 I HA 0.015 4.184 4.170 -0.001 0.000 0.270 474 I C 2.551 178.669 176.117 0.002 0.000 1.150 474 I CA -0.180 61.119 61.300 -0.002 0.000 1.448 474 I CB 0.026 37.923 38.000 -0.171 0.000 1.197 474 I HN -0.059 nan 8.210 nan 0.000 0.450 475 R N 0.903 121.361 120.500 -0.070 0.000 2.170 475 R HA -0.211 4.128 4.340 -0.001 0.000 0.242 475 R C 2.353 178.641 176.300 -0.019 0.000 1.145 475 R CA 1.477 57.536 56.100 -0.067 0.000 0.984 475 R CB -0.241 30.006 30.300 -0.087 0.000 0.869 475 R HN 0.227 nan 8.270 nan 0.000 0.455 476 R N 0.253 120.753 120.500 0.000 0.000 2.115 476 R HA -0.121 4.218 4.340 -0.001 0.000 0.226 476 R C 0.852 177.163 176.300 0.018 0.000 1.100 476 R CA 1.436 57.538 56.100 0.003 0.000 0.980 476 R CB 0.168 30.470 30.300 0.003 0.000 0.875 476 R HN -0.006 nan 8.270 nan 0.000 0.445 477 E N 0.428 120.677 120.200 0.082 0.000 2.496 477 E HA 0.174 4.523 4.350 -0.001 0.000 0.202 477 E C -1.004 175.687 176.600 0.152 0.000 1.021 477 E CA -0.143 56.308 56.400 0.085 0.000 1.015 477 E CB 0.247 30.025 29.700 0.130 0.000 1.102 477 E HN 0.212 nan 8.360 nan 0.000 0.452 478 L N 0.690 121.980 121.223 0.112 0.000 2.313 478 L HA 0.817 5.156 4.340 -0.001 0.000 0.283 478 L C -0.962 175.811 176.870 -0.161 0.000 1.013 478 L CA -0.538 54.343 54.840 0.069 0.000 0.816 478 L CB 1.188 43.249 42.059 0.003 0.000 1.236 478 L HN 0.162 nan 8.230 nan 0.000 0.419 479 A N 4.025 126.695 122.820 -0.249 0.000 2.569 479 A HA 0.742 5.061 4.320 -0.001 0.000 0.290 479 A C -2.107 175.265 177.584 -0.354 0.000 1.136 479 A CA -0.434 51.426 52.037 -0.294 0.000 0.710 479 A CB 1.443 20.371 19.000 -0.120 0.000 1.303 479 A HN 0.678 nan 8.150 nan 0.000 0.413 480 Y N 0.510 120.903 120.300 0.156 0.000 2.406 480 Y HA 0.354 4.903 4.550 -0.001 0.000 0.340 480 Y C -0.364 175.627 175.900 0.153 0.000 0.975 480 Y CA -0.945 57.269 58.100 0.190 0.000 1.056 480 Y CB 2.087 40.687 38.460 0.234 0.000 1.210 480 Y HN 0.622 nan 8.280 nan 0.000 0.448 481 D N 2.441 123.019 120.400 0.297 0.000 2.329 481 D HA 0.067 4.707 4.640 -0.001 0.000 0.246 481 D C 0.230 176.647 176.300 0.195 0.000 1.111 481 D CA -0.117 53.963 54.000 0.132 0.000 0.941 481 D CB 1.120 41.941 40.800 0.036 0.000 1.169 481 D HN 0.847 nan 8.370 nan 0.000 0.441 482 W N 0.707 122.103 121.300 0.160 0.000 2.868 482 W HA 0.086 4.746 4.660 -0.001 0.000 0.320 482 W C 0.233 176.869 176.519 0.196 0.000 1.076 482 W CA -0.434 56.999 57.345 0.147 0.000 1.576 482 W CB 0.149 29.670 29.460 0.101 0.000 1.030 482 W HN 0.278 nan 8.180 nan 0.000 0.558 483 Q N 1.659 121.128 119.800 -0.552 0.000 2.248 483 Q HA 0.618 4.957 4.340 -0.001 0.000 0.263 483 Q C -0.590 175.355 176.000 -0.091 0.000 1.007 483 Q CA -0.684 54.867 55.803 -0.420 0.000 0.877 483 Q CB 2.507 30.675 28.738 -0.950 0.000 1.315 483 Q HN 0.090 nan 8.270 nan 0.000 0.454 484 L N 0.753 122.011 121.223 0.058 0.000 2.488 484 L HA 0.504 4.844 4.340 -0.001 0.000 0.249 484 L C 0.260 177.061 176.870 -0.116 0.000 1.151 484 L CA -0.964 53.828 54.840 -0.081 0.000 0.806 484 L CB 0.825 42.717 42.059 -0.278 0.000 1.261 484 L HN 0.654 nan 8.230 nan 0.000 0.484 485 R N 0.361 120.746 120.500 -0.191 0.000 2.388 485 R HA 0.682 5.022 4.340 -0.001 0.000 0.314 485 R C -0.905 175.144 176.300 -0.418 0.000 0.959 485 R CA -0.308 55.659 56.100 -0.222 0.000 0.851 485 R CB 1.824 32.053 30.300 -0.118 0.000 1.168 485 R HN 0.744 nan 8.270 nan 0.000 0.472 486 A N 3.521 126.041 122.820 -0.500 0.000 2.681 486 A HA 0.709 5.029 4.320 -0.001 0.000 0.278 486 A C -0.967 176.422 177.584 -0.324 0.000 1.272 486 A CA -0.718 50.934 52.037 -0.642 0.000 0.750 486 A CB 1.039 19.252 19.000 -1.311 0.000 1.351 486 A HN 0.560 nan 8.150 nan 0.000 0.514 487 I N 0.673 121.066 120.570 -0.295 0.000 2.362 487 I HA 0.413 4.582 4.170 -0.001 0.000 0.289 487 I C -0.902 175.153 176.117 -0.102 0.000 0.994 487 I CA -0.262 60.948 61.300 -0.150 0.000 1.158 487 I CB 1.063 38.960 38.000 -0.171 0.000 1.315 487 I HN 0.558 nan 8.210 nan 0.000 0.451 488 L N 6.276 127.509 121.223 0.016 0.000 3.223 488 L HA -0.158 4.181 4.340 -0.001 0.000 0.573 488 L C -0.567 176.345 176.870 0.071 0.000 1.328 488 L CA 0.108 55.012 54.840 0.107 0.000 0.992 488 L CB -1.389 40.748 42.059 0.129 0.000 1.794 488 L HN 0.730 nan 8.230 nan 0.000 0.823 489 Q N 0.739 120.558 119.800 0.032 0.000 2.303 489 Q HA 0.341 4.681 4.340 -0.001 0.000 0.257 489 Q C -0.394 175.575 176.000 -0.052 0.000 0.941 489 Q CA -0.739 55.051 55.803 -0.022 0.000 0.931 489 Q CB 1.693 30.396 28.738 -0.058 0.000 1.215 489 Q HN 0.118 nan 8.270 nan 0.000 0.437 490 D N 3.288 123.713 120.400 0.041 0.000 2.339 490 D HA 0.146 4.785 4.640 -0.001 0.000 0.241 490 D C -0.044 176.275 176.300 0.032 0.000 1.183 490 D CA 0.130 54.168 54.000 0.063 0.000 0.859 490 D CB 0.711 41.817 40.800 0.511 0.000 1.067 490 D HN 0.374 nan 8.370 nan 0.000 0.484 491 H N 1.066 120.109 119.070 -0.045 0.000 2.544 491 H HA 0.443 4.998 4.556 -0.001 0.000 0.342 491 H C -0.595 174.753 175.328 0.034 0.000 1.185 491 H CA -0.403 55.731 56.048 0.143 0.000 1.264 491 H CB 1.383 31.194 29.762 0.081 0.000 1.607 491 H HN 0.270 nan 8.280 nan 0.000 0.550 492 F N 1.873 122.024 119.950 0.336 0.000 2.831 492 F HA 0.272 4.798 4.527 -0.001 0.000 0.346 492 F C -0.081 175.862 175.800 0.238 0.000 1.224 492 F CA -0.559 57.606 58.000 0.276 0.000 1.048 492 F CB 0.915 40.129 39.000 0.357 0.000 1.339 492 F HN 0.313 nan 8.300 nan 0.000 0.514 493 I N -0.422 120.272 120.570 0.206 0.000 2.892 493 I HA 0.622 4.791 4.170 -0.001 0.000 0.306 493 I C -1.015 175.163 176.117 0.102 0.000 1.078 493 I CA -1.254 60.139 61.300 0.156 0.000 1.032 493 I CB 2.248 40.261 38.000 0.022 0.000 1.229 493 I HN 0.257 nan 8.210 nan 0.000 0.435 494 K N 3.627 124.097 120.400 0.117 0.000 2.298 494 K HA 0.272 4.591 4.320 -0.001 0.000 0.280 494 K C -1.934 174.681 176.600 0.025 0.000 1.032 494 K CA -1.171 55.163 56.287 0.079 0.000 0.958 494 K CB 0.730 33.294 32.500 0.108 0.000 0.978 494 K HN 0.395 nan 8.250 nan 0.000 0.472 495 P HA -0.203 nan 4.420 nan 0.000 0.218 495 P C -0.070 177.235 177.300 0.008 0.000 1.146 495 P CA 1.289 64.359 63.100 -0.050 0.000 0.813 495 P CB 0.196 31.855 31.700 -0.067 0.000 0.778 496 E N -0.888 119.335 120.200 0.038 0.000 2.516 496 E HA -0.067 4.282 4.350 -0.001 0.000 0.199 496 E C 0.665 177.334 176.600 0.116 0.000 1.069 496 E CA 0.186 56.627 56.400 0.068 0.000 0.876 496 E CB -0.306 29.434 29.700 0.067 0.000 0.843 496 E HN 0.324 nan 8.360 nan 0.000 0.530 497 E N 1.374 121.667 120.200 0.156 0.000 2.349 497 E HA 0.091 4.440 4.350 -0.001 0.000 0.265 497 E C -0.277 176.522 176.600 0.332 0.000 1.064 497 E CA -0.209 56.341 56.400 0.250 0.000 0.886 497 E CB 0.762 30.644 29.700 0.304 0.000 1.036 497 E HN 0.056 nan 8.360 nan 0.000 0.413 498 T N 1.382 116.049 114.554 0.188 0.000 2.924 498 T HA 0.225 4.575 4.350 -0.001 0.000 0.291 498 T C 0.914 175.233 174.700 -0.635 0.000 1.045 498 T CA -0.953 61.114 62.100 -0.055 0.000 1.015 498 T CB 0.854 69.686 68.868 -0.061 0.000 1.103 498 T HN 0.432 nan 8.240 nan 0.000 0.496 499 L N 0.574 121.142 121.223 -1.092 0.000 2.265 499 L HA -0.052 4.288 4.340 -0.001 0.000 0.215 499 L C 1.317 177.794 176.870 -0.654 0.000 1.117 499 L CA 1.954 55.933 54.840 -1.436 0.000 0.782 499 L CB -1.127 40.201 42.059 -1.217 0.000 0.914 499 L HN 0.734 nan 8.230 nan 0.000 0.441 500 D N -0.135 120.030 120.400 -0.393 0.000 2.123 500 D HA -0.151 4.489 4.640 -0.001 0.000 0.200 500 D C 1.752 177.952 176.300 -0.166 0.000 0.976 500 D CA 0.912 54.770 54.000 -0.237 0.000 0.831 500 D CB 0.017 40.727 40.800 -0.150 0.000 0.974 500 D HN 0.435 nan 8.370 nan 0.000 0.469 501 N N 0.330 118.977 118.700 -0.088 0.000 2.188 501 N HA -0.170 4.569 4.740 -0.001 0.000 0.184 501 N C 1.853 177.475 175.510 0.187 0.000 1.018 501 N CA 0.517 53.603 53.050 0.061 0.000 0.858 501 N CB -0.470 38.112 38.487 0.159 0.000 0.989 501 N HN 0.268 nan 8.380 nan 0.000 0.426 502 Y N 3.150 123.402 120.300 -0.080 0.000 2.070 502 Y HA -0.195 4.355 4.550 -0.001 0.000 0.280 502 Y C 2.493 178.231 175.900 -0.270 0.000 1.148 502 Y CA 1.833 59.880 58.100 -0.089 0.000 1.125 502 Y CB -0.255 37.975 38.460 -0.382 0.000 0.975 502 Y HN 0.083 nan 8.280 nan 0.000 0.492 503 R N 0.009 120.146 120.500 -0.605 0.000 2.241 503 R HA -0.098 4.241 4.340 -0.001 0.000 0.224 503 R C 1.226 177.206 176.300 -0.532 0.000 1.101 503 R CA 1.791 57.236 56.100 -1.091 0.000 0.995 503 R CB -0.819 28.960 30.300 -0.868 0.000 0.870 503 R HN 0.416 nan 8.270 nan 0.000 0.463 504 L N 1.257 122.323 121.223 -0.262 0.000 2.769 504 L HA 0.174 4.513 4.340 -0.001 0.000 0.240 504 L C 0.241 177.077 176.870 -0.057 0.000 1.163 504 L CA -0.434 54.324 54.840 -0.138 0.000 0.962 504 L CB 0.856 42.857 42.059 -0.096 0.000 1.258 504 L HN -0.101 nan 8.230 nan 0.000 0.513 505 V N 0.010 119.910 119.914 -0.025 0.000 4.935 505 V HA -0.374 3.746 4.120 -0.001 0.000 0.273 505 V C 1.383 177.447 176.094 -0.049 0.000 0.517 505 V CA 1.491 63.792 62.300 0.001 0.000 0.745 505 V CB -2.131 29.739 31.823 0.078 0.000 0.647 505 V HN 0.610 nan 8.190 nan 0.000 1.220 506 K N -1.154 119.249 120.400 0.005 0.000 2.354 506 K HA 0.191 4.510 4.320 -0.001 0.000 0.194 506 K C 1.004 177.636 176.600 0.054 0.000 1.038 506 K CA 0.465 56.757 56.287 0.008 0.000 1.052 506 K CB 0.382 32.899 32.500 0.028 0.000 0.861 506 K HN 0.795 nan 8.250 nan 0.000 0.535 507 Y N 0.081 120.470 120.300 0.149 0.000 2.183 507 Y HA 0.059 4.609 4.550 -0.001 0.000 0.380 507 Y C 0.126 176.197 175.900 0.286 0.000 1.308 507 Y CA -0.430 57.808 58.100 0.229 0.000 1.813 507 Y CB 0.015 38.669 38.460 0.322 0.000 1.584 507 Y HN -0.031 nan 8.280 nan 0.000 0.665 508 H N 0.340 119.717 119.070 0.511 0.000 2.887 508 H HA 0.242 4.798 4.556 -0.001 0.000 0.300 508 H C -1.290 174.363 175.328 0.541 0.000 1.038 508 H CA -0.970 55.278 56.048 0.333 0.000 1.352 508 H CB 0.720 30.625 29.762 0.238 0.000 1.473 508 H HN 0.731 nan 8.280 nan 0.000 0.503 509 E N 5.337 125.979 120.200 0.738 0.000 2.104 509 E HA 0.044 4.393 4.350 -0.001 0.000 0.278 509 E C 0.083 176.960 176.600 0.462 0.000 1.127 509 E CA -0.149 56.687 56.400 0.728 0.000 0.897 509 E CB 0.481 30.662 29.700 0.801 0.000 1.043 509 E HN 0.751 nan 8.360 nan 0.000 0.410 510 L N 2.979 124.416 121.223 0.357 0.000 2.395 510 L HA 0.238 4.577 4.340 -0.001 0.000 0.218 510 L C 1.281 178.367 176.870 0.360 0.000 1.130 510 L CA 0.460 55.447 54.840 0.245 0.000 0.826 510 L CB -0.128 42.059 42.059 0.213 0.000 0.941 510 L HN 0.497 nan 8.230 nan 0.000 0.451 511 G N -0.125 108.979 108.800 0.508 0.000 2.417 511 G HA2 0.366 4.326 3.960 -0.001 0.000 0.334 511 G HA3 0.366 4.326 3.960 -0.001 0.000 0.334 511 G C -0.707 174.455 174.900 0.437 0.000 1.150 511 G CA -0.331 45.103 45.100 0.556 0.000 0.923 511 G HN 0.201 nan 8.290 nan 0.000 0.485 512 D N 0.708 121.199 120.400 0.153 0.000 3.123 512 D HA 0.183 4.822 4.640 -0.001 0.000 0.305 512 D C -0.387 175.751 176.300 -0.270 0.000 1.373 512 D CA -0.469 53.480 54.000 -0.085 0.000 0.889 512 D CB 0.126 40.792 40.800 -0.224 0.000 1.070 512 D HN 0.225 nan 8.370 nan 0.000 0.494 513 F N -0.748 119.358 119.950 0.260 0.000 2.746 513 F HA 0.126 4.652 4.527 -0.001 0.000 0.313 513 F C 2.107 178.071 175.800 0.273 0.000 1.095 513 F CA -0.325 57.883 58.000 0.347 0.000 1.224 513 F CB 0.357 39.656 39.000 0.498 0.000 1.060 513 F HN -0.055 nan 8.300 nan 0.000 0.584 514 V N 1.134 121.242 119.914 0.324 0.000 2.283 514 V HA -0.232 3.887 4.120 -0.001 0.000 0.243 514 V C 1.279 177.206 176.094 -0.279 0.000 1.039 514 V CA 2.228 64.580 62.300 0.087 0.000 1.016 514 V CB -0.739 31.191 31.823 0.178 0.000 0.650 514 V HN 0.531 nan 8.190 nan 0.000 0.449 515 N N -0.668 117.870 118.700 -0.270 0.000 2.389 515 N HA 0.152 4.892 4.740 -0.001 0.000 0.260 515 N C -0.019 175.306 175.510 -0.308 0.000 1.191 515 N CA -0.320 52.261 53.050 -0.783 0.000 0.885 515 N CB 0.472 38.811 38.487 -0.247 0.000 1.162 515 N HN 0.305 nan 8.380 nan 0.000 0.512 516 Q N 0.796 120.526 119.800 -0.118 0.000 2.351 516 Q HA 0.502 4.842 4.340 -0.001 0.000 0.273 516 Q C -2.744 173.333 176.000 0.129 0.000 1.077 516 Q CA -2.018 53.788 55.803 0.005 0.000 0.843 516 Q CB 1.782 30.501 28.738 -0.032 0.000 1.367 516 Q HN 0.088 nan 8.270 nan 0.000 0.449 517 P HA 0.080 nan 4.420 nan 0.000 0.269 517 P C -1.121 176.323 177.300 0.239 0.000 1.209 517 P CA 0.367 63.577 63.100 0.183 0.000 0.776 517 P CB 0.280 32.044 31.700 0.107 0.000 0.876 518 Y N 0.600 120.890 120.300 -0.017 0.000 2.462 518 Y HA 0.270 4.819 4.550 -0.001 0.000 0.346 518 Y C 0.838 176.599 175.900 -0.232 0.000 0.976 518 Y CA -0.760 57.282 58.100 -0.097 0.000 1.044 518 Y CB 1.476 39.915 38.460 -0.036 0.000 1.230 518 Y HN 0.291 nan 8.280 nan 0.000 0.455 519 E N 2.277 122.170 120.200 -0.512 0.000 2.374 519 E HA 0.191 4.541 4.350 -0.001 0.000 0.260 519 E C -1.218 174.856 176.600 -0.876 0.000 1.101 519 E CA -0.130 55.736 56.400 -0.889 0.000 0.907 519 E CB 1.357 30.082 29.700 -1.625 0.000 1.014 519 E HN 0.601 nan 8.360 nan 0.000 0.427 520 Y N -1.930 117.965 120.300 -0.675 0.000 2.615 520 Y HA 0.633 5.183 4.550 -0.001 0.000 0.341 520 Y C -1.023 174.842 175.900 -0.059 0.000 1.089 520 Y CA -1.275 56.635 58.100 -0.317 0.000 1.049 520 Y CB 1.638 40.028 38.460 -0.116 0.000 1.296 520 Y HN 0.452 nan 8.280 nan 0.000 0.470 521 E N 3.036 123.472 120.200 0.393 0.000 2.367 521 E HA 0.316 4.665 4.350 -0.001 0.000 0.292 521 E C -1.357 175.418 176.600 0.293 0.000 0.900 521 E CA -0.837 55.765 56.400 0.337 0.000 0.807 521 E CB 1.069 30.989 29.700 0.367 0.000 1.337 521 E HN 0.710 nan 8.360 nan 0.000 0.394 522 M N 4.760 124.517 119.600 0.263 0.000 2.252 522 M HA 0.141 4.620 4.480 -0.001 0.000 0.333 522 M C 1.112 177.485 176.300 0.122 0.000 1.111 522 M CA 0.707 56.105 55.300 0.164 0.000 1.140 522 M CB -0.208 32.475 32.600 0.138 0.000 1.538 522 M HN 0.713 nan 8.290 nan 0.000 0.448 523 I N -2.226 118.398 120.570 0.090 0.000 4.046 523 I HA 0.338 4.508 4.170 -0.001 0.000 0.285 523 I C 0.960 177.111 176.117 0.056 0.000 1.183 523 I CA 0.193 61.536 61.300 0.071 0.000 1.337 523 I CB 0.520 38.559 38.000 0.065 0.000 1.478 523 I HN 0.648 nan 8.210 nan 0.000 0.452 524 E N 0.987 121.218 120.200 0.052 0.000 1.749 524 E HA 0.001 4.350 4.350 -0.001 0.000 0.252 524 E C -0.097 176.531 176.600 0.046 0.000 1.061 524 E CA 0.515 56.942 56.400 0.046 0.000 1.692 524 E CB -0.488 29.236 29.700 0.041 0.000 3.860 524 E HN 0.297 nan 8.360 nan 0.000 0.932 525 N N 0.740 119.467 118.700 0.046 0.000 2.275 525 N HA 0.458 5.198 4.740 -0.001 0.000 0.236 525 N C 0.244 175.781 175.510 0.045 0.000 1.154 525 N CA 0.828 53.907 53.050 0.049 0.000 0.866 525 N CB 1.827 40.345 38.487 0.051 0.000 1.093 525 N HN 0.341 nan 8.380 nan 0.000 0.515 526 G N -0.326 108.497 108.800 0.039 0.000 2.441 526 G HA2 0.390 4.349 3.960 -0.001 0.000 0.225 526 G HA3 0.390 4.349 3.960 -0.001 0.000 0.225 526 G C -1.847 173.071 174.900 0.031 0.000 1.200 526 G CA 0.046 45.160 45.100 0.024 0.000 0.947 526 G HN 0.237 nan 8.290 nan 0.000 0.484 527 V N -2.894 117.038 119.914 0.030 0.000 3.147 527 V HA 0.840 4.959 4.120 -0.001 0.000 0.299 527 V C -1.408 174.739 176.094 0.089 0.000 1.302 527 V CA -1.250 61.090 62.300 0.067 0.000 1.015 527 V CB 1.897 33.741 31.823 0.035 0.000 1.086 527 V HN 0.806 nan 8.190 nan 0.000 0.437 528 K N 3.077 123.579 120.400 0.169 0.000 2.235 528 K HA 0.800 5.119 4.320 -0.001 0.000 0.266 528 K C -1.454 175.345 176.600 0.333 0.000 0.980 528 K CA -0.491 55.929 56.287 0.221 0.000 0.849 528 K CB 1.946 34.594 32.500 0.247 0.000 1.098 528 K HN 0.637 nan 8.250 nan 0.000 0.445 529 L N 2.859 124.255 121.223 0.287 0.000 2.354 529 L HA 0.665 5.005 4.340 -0.001 0.000 0.269 529 L C -1.140 176.013 176.870 0.472 0.000 1.005 529 L CA -0.760 54.250 54.840 0.284 0.000 0.819 529 L CB 1.152 43.337 42.059 0.210 0.000 1.311 529 L HN 0.729 nan 8.230 nan 0.000 0.423 530 W N 1.376 122.806 121.300 0.216 0.000 3.248 530 W HA 0.777 5.437 4.660 -0.001 0.000 0.311 530 W C -1.601 174.771 176.519 -0.244 0.000 1.258 530 W CA -1.019 56.332 57.345 0.010 0.000 1.191 530 W CB 1.078 30.530 29.460 -0.014 0.000 1.389 530 W HN 0.492 nan 8.180 nan 0.000 0.561 531 R N 2.338 122.689 120.500 -0.248 0.000 2.621 531 R HA 0.288 4.627 4.340 -0.001 0.000 0.284 531 R C -0.495 175.829 176.300 0.041 0.000 0.998 531 R CA -0.544 55.352 56.100 -0.339 0.000 0.895 531 R CB 1.892 31.671 30.300 -0.868 0.000 1.195 531 R HN 0.587 nan 8.270 nan 0.000 0.450 532 E N 3.966 124.191 120.200 0.042 0.000 2.360 532 E HA 0.218 4.567 4.350 -0.001 0.000 0.253 532 E C -0.276 176.321 176.600 -0.005 0.000 1.189 532 E CA -0.494 55.953 56.400 0.078 0.000 1.252 532 E CB 1.010 30.758 29.700 0.081 0.000 1.408 532 E HN 0.758 nan 8.360 nan 0.000 0.464 533 G N 0.446 109.216 108.800 -0.050 0.000 2.975 533 G HA2 0.682 4.641 3.960 -0.001 0.000 0.159 533 G HA3 0.682 4.641 3.960 -0.001 0.000 0.159 533 G C -0.049 174.786 174.900 -0.108 0.000 1.525 533 G CA -0.150 44.768 45.100 -0.303 0.000 1.075 533 G HN 0.576 nan 8.290 nan 0.000 0.574 534 G N -2.774 105.934 108.800 -0.152 0.000 2.608 534 G HA2 0.492 4.451 3.960 -0.001 0.000 0.291 534 G HA3 0.492 4.451 3.960 -0.001 0.000 0.291 534 G C -2.076 172.810 174.900 -0.024 0.000 1.425 534 G CA -0.324 44.735 45.100 -0.069 0.000 0.787 534 G HN 0.849 nan 8.290 nan 0.000 0.484 535 V N 0.940 120.719 119.914 -0.225 0.000 2.350 535 V HA 0.413 4.532 4.120 -0.001 0.000 0.285 535 V C -1.217 174.715 176.094 -0.269 0.000 1.014 535 V CA -0.737 61.459 62.300 -0.174 0.000 0.831 535 V CB 0.642 32.324 31.823 -0.234 0.000 1.000 535 V HN 0.551 nan 8.190 nan 0.000 0.433 536 Y N 3.577 123.831 120.300 -0.076 0.000 2.326 536 Y HA 0.760 5.309 4.550 -0.001 0.000 0.337 536 Y C 0.555 176.423 175.900 -0.055 0.000 1.023 536 Y CA 0.065 58.129 58.100 -0.061 0.000 1.143 536 Y CB 1.551 40.008 38.460 -0.006 0.000 1.183 536 Y HN 0.779 nan 8.280 nan 0.000 0.485 537 A N 2.056 124.878 122.820 0.003 0.000 4.367 537 A HA 0.491 4.810 4.320 -0.001 0.000 0.174 537 A C 0.718 178.331 177.584 0.048 0.000 0.690 537 A CA -0.534 51.514 52.037 0.019 0.000 0.856 537 A CB 0.107 19.027 19.000 -0.132 0.000 1.848 537 A HN 0.487 nan 8.150 nan 0.000 0.887 538 E N 0.503 120.727 120.200 0.038 0.000 2.204 538 E HA 0.013 4.362 4.350 -0.001 0.000 0.195 538 E C 0.512 177.113 176.600 0.001 0.000 0.990 538 E CA 1.433 57.860 56.400 0.046 0.000 0.821 538 E CB 0.145 29.880 29.700 0.059 0.000 0.750 538 E HN 0.501 nan 8.360 nan 0.000 0.477 539 E N -0.039 120.122 120.200 -0.066 0.000 2.343 539 E HA 0.204 4.554 4.350 -0.001 0.000 0.270 539 E C -1.077 175.398 176.600 -0.208 0.000 0.895 539 E CA -0.867 55.469 56.400 -0.107 0.000 0.767 539 E CB 1.142 30.780 29.700 -0.104 0.000 1.248 539 E HN -0.147 nan 8.360 nan 0.000 0.440 540 K N 4.389 124.644 120.400 -0.242 0.000 2.250 540 K HA 0.232 4.551 4.320 -0.001 0.000 0.280 540 K C -0.992 175.367 176.600 -0.401 0.000 1.098 540 K CA -0.474 55.531 56.287 -0.470 0.000 0.916 540 K CB 0.060 32.246 32.500 -0.522 0.000 1.209 540 K HN 0.323 nan 8.250 nan 0.000 0.461 541 I N 8.010 128.337 120.570 -0.404 0.000 2.281 541 I HA 0.148 4.317 4.170 -0.001 0.000 0.293 541 I C -1.926 174.049 176.117 -0.238 0.000 1.085 541 I CA -2.550 58.588 61.300 -0.271 0.000 1.257 541 I CB 0.829 38.684 38.000 -0.242 0.000 1.430 541 I HN 0.474 nan 8.210 nan 0.000 0.489 542 P HA 0.092 nan 4.420 nan 0.000 0.261 542 P C -0.354 176.922 177.300 -0.041 0.000 1.203 542 P CA 0.173 63.202 63.100 -0.119 0.000 0.767 542 P CB 0.840 32.489 31.700 -0.086 0.000 0.785 543 A N 4.715 127.550 122.820 0.025 0.000 2.452 543 A HA 0.831 5.150 4.320 -0.001 0.000 0.285 543 A C -0.057 177.632 177.584 0.175 0.000 1.209 543 A CA -0.701 51.390 52.037 0.090 0.000 0.940 543 A CB 1.151 20.173 19.000 0.035 0.000 1.440 543 A HN 0.542 nan 8.150 nan 0.000 0.480 544 R N -0.815 119.776 120.500 0.152 0.000 2.603 544 R HA 0.481 4.820 4.340 -0.001 0.000 0.280 544 R C -2.411 173.937 176.300 0.080 0.000 1.185 544 R CA -0.246 55.951 56.100 0.161 0.000 1.039 544 R CB 1.498 31.849 30.300 0.084 0.000 1.247 544 R HN 0.539 nan 8.270 nan 0.000 0.413 545 V N 3.687 123.673 119.914 0.120 0.000 2.435 545 V HA 0.476 4.596 4.120 -0.001 0.000 0.290 545 V C -0.205 175.974 176.094 0.141 0.000 1.030 545 V CA -0.570 61.775 62.300 0.075 0.000 0.881 545 V CB 1.730 33.652 31.823 0.166 0.000 0.983 545 V HN 0.734 nan 8.190 nan 0.000 0.445 546 E N 3.962 124.194 120.200 0.053 0.000 2.238 546 E HA 0.668 5.017 4.350 -0.001 0.000 0.267 546 E C -1.096 175.394 176.600 -0.184 0.000 0.887 546 E CA -0.980 55.448 56.400 0.047 0.000 0.769 546 E CB 2.735 32.430 29.700 -0.009 0.000 1.187 546 E HN 0.776 nan 8.360 nan 0.000 0.416 547 K N 1.234 121.533 120.400 -0.168 0.000 2.553 547 K HA 0.423 4.742 4.320 -0.001 0.000 0.250 547 K C -1.209 175.294 176.600 -0.162 0.000 0.953 547 K CA -0.983 55.039 56.287 -0.441 0.000 0.800 547 K CB 2.068 34.116 32.500 -0.754 0.000 1.243 547 K HN 0.194 nan 8.250 nan 0.000 0.435 548 K N 4.903 125.222 120.400 -0.136 0.000 2.334 548 K HA 0.334 4.653 4.320 -0.001 0.000 0.265 548 K C -1.013 175.580 176.600 -0.012 0.000 1.039 548 K CA -0.566 55.699 56.287 -0.036 0.000 0.920 548 K CB 0.620 33.105 32.500 -0.024 0.000 1.160 548 K HN 0.645 nan 8.250 nan 0.000 0.451 549 I N 3.912 124.476 120.570 -0.010 0.000 2.331 549 I HA 0.237 4.406 4.170 -0.001 0.000 0.292 549 I C -0.245 175.884 176.117 0.021 0.000 0.998 549 I CA -0.417 60.880 61.300 -0.005 0.000 1.267 549 I CB 1.436 39.372 38.000 -0.106 0.000 1.386 549 I HN 0.552 nan 8.210 nan 0.000 0.476 550 E N 6.299 126.543 120.200 0.075 0.000 2.314 550 E HA 0.499 4.849 4.350 -0.001 0.000 0.272 550 E C -1.238 175.429 176.600 0.110 0.000 0.884 550 E CA -0.840 55.603 56.400 0.072 0.000 0.753 550 E CB 2.993 32.731 29.700 0.064 0.000 1.213 550 E HN 0.438 nan 8.360 nan 0.000 0.432 551 L N 2.365 123.639 121.223 0.084 0.000 2.349 551 L HA 0.328 4.668 4.340 -0.001 0.000 0.275 551 L C 0.746 177.663 176.870 0.078 0.000 1.115 551 L CA -0.130 54.766 54.840 0.092 0.000 0.820 551 L CB 0.711 42.830 42.059 0.099 0.000 1.135 551 L HN 0.707 nan 8.230 nan 0.000 0.445 552 T N -1.978 112.605 114.554 0.048 0.000 2.889 552 T HA 0.269 4.618 4.350 -0.001 0.000 0.278 552 T C 0.790 175.544 174.700 0.089 0.000 0.995 552 T CA -0.805 61.320 62.100 0.041 0.000 0.966 552 T CB 1.244 70.107 68.868 -0.008 0.000 1.237 552 T HN 0.580 nan 8.240 nan 0.000 0.591 553 E N 0.849 121.105 120.200 0.094 0.000 2.150 553 E HA -0.081 4.269 4.350 -0.001 0.000 0.193 553 E C 0.357 177.123 176.600 0.276 0.000 0.985 553 E CA 1.215 57.707 56.400 0.153 0.000 0.814 553 E CB -0.003 29.753 29.700 0.093 0.000 0.752 553 E HN 0.759 nan 8.360 nan 0.000 0.466 554 D N -0.946 119.565 120.400 0.185 0.000 2.891 554 D HA 0.243 4.882 4.640 -0.001 0.000 0.332 554 D C 0.634 176.894 176.300 -0.066 0.000 1.369 554 D CA 0.066 54.221 54.000 0.257 0.000 0.827 554 D CB 0.600 41.466 40.800 0.110 0.000 1.141 554 D HN 0.152 nan 8.370 nan 0.000 0.464 555 G N 0.253 108.712 108.800 -0.567 0.000 2.217 555 G HA2 0.258 4.218 3.960 -0.001 0.000 0.126 555 G HA3 0.258 4.218 3.960 -0.001 0.000 0.126 555 G C -1.145 173.572 174.900 -0.305 0.000 1.293 555 G CA -0.266 44.391 45.100 -0.738 0.000 1.219 555 G HN 0.487 nan 8.290 nan 0.000 0.477 556 F N -0.825 119.021 119.950 -0.173 0.000 2.745 556 F HA 0.911 5.437 4.527 -0.001 0.000 0.316 556 F C -1.175 174.603 175.800 -0.036 0.000 1.155 556 F CA -1.270 56.665 58.000 -0.109 0.000 0.937 556 F CB 1.572 40.495 39.000 -0.127 0.000 1.361 556 F HN 0.886 nan 8.300 nan 0.000 0.472 557 I N 1.391 122.126 120.570 0.276 0.000 2.802 557 I HA 0.836 5.005 4.170 -0.001 0.000 0.298 557 I C -1.848 174.467 176.117 0.329 0.000 1.176 557 I CA -0.956 60.432 61.300 0.147 0.000 1.025 557 I CB 2.058 40.084 38.000 0.043 0.000 1.243 557 I HN 1.153 nan 8.210 nan 0.000 0.424 558 A N 6.654 129.652 122.820 0.296 0.000 2.381 558 A HA 0.645 4.964 4.320 -0.001 0.000 0.299 558 A C -1.416 176.272 177.584 0.174 0.000 1.049 558 A CA -0.698 51.493 52.037 0.257 0.000 0.715 558 A CB 1.248 20.490 19.000 0.404 0.000 1.222 558 A HN 0.645 nan 8.150 nan 0.000 0.428 559 K N 2.321 122.738 120.400 0.028 0.000 2.316 559 K HA 0.475 4.795 4.320 -0.001 0.000 0.267 559 K C -1.497 174.986 176.600 -0.194 0.000 1.025 559 K CA -0.201 56.044 56.287 -0.070 0.000 0.896 559 K CB 1.224 33.683 32.500 -0.069 0.000 1.124 559 K HN 0.648 nan 8.250 nan 0.000 0.451 560 Y N 1.135 121.077 120.300 -0.596 0.000 2.374 560 Y HA 0.344 4.893 4.550 -0.001 0.000 0.322 560 Y C 0.537 176.111 175.900 -0.543 0.000 1.275 560 Y CA -0.607 57.114 58.100 -0.631 0.000 1.307 560 Y CB 1.344 39.169 38.460 -1.058 0.000 1.282 560 Y HN 0.414 nan 8.280 nan 0.000 0.509 561 R N 1.565 121.929 120.500 -0.227 0.000 3.033 561 R HA 0.419 4.758 4.340 -0.001 0.000 0.236 561 R C -2.374 173.818 176.300 -0.180 0.000 1.774 561 R CA -0.145 55.837 56.100 -0.196 0.000 1.401 561 R CB 0.200 30.412 30.300 -0.146 0.000 1.539 561 R HN 0.536 nan 8.270 nan 0.000 0.618 562 V N 4.072 123.825 119.914 -0.270 0.000 2.732 562 V HA 0.455 4.574 4.120 -0.001 0.000 0.297 562 V C 0.197 176.216 176.094 -0.126 0.000 1.060 562 V CA -0.461 61.667 62.300 -0.286 0.000 1.038 562 V CB 1.525 32.961 31.823 -0.646 0.000 1.003 562 V HN 0.615 nan 8.190 nan 0.000 0.481 563 L N 4.623 125.819 121.223 -0.045 0.000 2.588 563 L HA 0.540 4.879 4.340 -0.001 0.000 0.263 563 L C -1.721 175.171 176.870 0.036 0.000 0.935 563 L CA -0.533 54.305 54.840 -0.003 0.000 0.891 563 L CB 1.786 43.831 42.059 -0.022 0.000 1.318 563 L HN 0.468 nan 8.230 nan 0.000 0.409 564 L N 3.580 124.838 121.223 0.057 0.000 2.322 564 L HA 0.386 4.725 4.340 -0.001 0.000 0.279 564 L C 1.259 178.147 176.870 0.031 0.000 1.036 564 L CA 0.176 55.051 54.840 0.059 0.000 0.807 564 L CB 1.415 43.538 42.059 0.108 0.000 1.226 564 L HN 0.697 nan 8.230 nan 0.000 0.433 565 E N 1.628 121.833 120.200 0.009 0.000 2.077 565 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 565 E C -0.218 176.385 176.600 0.006 0.000 0.989 565 E CA 1.353 57.752 56.400 -0.002 0.000 0.800 565 E CB 0.390 30.077 29.700 -0.021 0.000 0.746 565 E HN 0.506 nan 8.360 nan 0.000 0.452 566 K N 0.668 121.076 120.400 0.014 0.000 2.422 566 K HA 0.374 4.693 4.320 -0.001 0.000 0.251 566 K C -2.686 173.956 176.600 0.070 0.000 0.933 566 K CA -2.334 53.970 56.287 0.028 0.000 0.798 566 K CB 2.010 34.518 32.500 0.013 0.000 1.238 566 K HN -0.145 nan 8.250 nan 0.000 0.428 567 P HA -0.139 nan 4.420 nan 0.000 0.266 567 P C -1.493 175.931 177.300 0.207 0.000 1.180 567 P CA 0.540 63.706 63.100 0.109 0.000 0.765 567 P CB 0.147 31.889 31.700 0.071 0.000 0.806 568 Y N 0.417 120.741 120.300 0.040 0.000 2.318 568 Y HA 0.149 4.698 4.550 -0.001 0.000 0.317 568 Y C -1.269 174.669 175.900 0.064 0.000 1.290 568 Y CA -1.014 57.115 58.100 0.049 0.000 1.177 568 Y CB 1.071 39.564 38.460 0.054 0.000 1.307 568 Y HN 0.086 nan 8.280 nan 0.000 0.428 569 K N 4.499 124.546 120.400 -0.587 0.000 2.378 569 K HA 0.718 5.037 4.320 -0.001 0.000 0.288 569 K C -0.476 175.791 176.600 -0.555 0.000 1.057 569 K CA 0.484 56.507 56.287 -0.441 0.000 0.971 569 K CB 0.555 32.862 32.500 -0.322 0.000 0.975 569 K HN 0.744 nan 8.250 nan 0.000 0.475 570 A N 3.585 126.297 122.820 -0.179 0.000 2.610 570 A HA 0.640 4.960 4.320 -0.001 0.000 0.291 570 A C -1.429 176.158 177.584 0.006 0.000 1.086 570 A CA -0.806 51.228 52.037 -0.004 0.000 0.677 570 A CB 1.152 20.342 19.000 0.316 0.000 1.278 570 A HN 0.507 nan 8.150 nan 0.000 0.414 571 L N 1.201 122.412 121.223 -0.019 0.000 2.305 571 L HA 0.482 4.821 4.340 -0.001 0.000 0.284 571 L C -0.965 175.794 176.870 -0.185 0.000 1.013 571 L CA -0.377 54.392 54.840 -0.119 0.000 0.819 571 L CB 1.437 43.356 42.059 -0.234 0.000 1.227 571 L HN 0.734 nan 8.230 nan 0.000 0.417 572 F N 2.492 122.226 119.950 -0.359 0.000 2.420 572 F HA 0.627 5.154 4.527 -0.001 0.000 0.352 572 F C 0.590 176.182 175.800 -0.347 0.000 1.108 572 F CA -0.523 57.139 58.000 -0.564 0.000 1.162 572 F CB 1.265 39.960 39.000 -0.508 0.000 1.118 572 F HN 0.344 nan 8.300 nan 0.000 0.510 573 G N 5.028 113.204 108.800 -1.040 0.000 2.461 573 G HA2 0.561 4.521 3.960 -0.001 0.000 0.323 573 G HA3 0.561 4.521 3.960 -0.001 0.000 0.323 573 G C -1.960 172.482 174.900 -0.762 0.000 1.229 573 G CA -0.714 43.959 45.100 -0.712 0.000 0.941 573 G HN 0.580 nan 8.290 nan 0.000 0.477 574 V N 2.204 121.835 119.914 -0.471 0.000 2.326 574 V HA 0.337 4.457 4.120 -0.001 0.000 0.281 574 V C 0.097 176.169 176.094 -0.035 0.000 1.015 574 V CA -0.762 61.369 62.300 -0.281 0.000 0.823 574 V CB 1.068 32.712 31.823 -0.298 0.000 1.009 574 V HN 0.878 nan 8.190 nan 0.000 0.436 575 E N 5.092 125.350 120.200 0.096 0.000 2.231 575 E HA 0.643 4.992 4.350 -0.001 0.000 0.277 575 E C -1.216 175.468 176.600 0.141 0.000 0.999 575 E CA -0.598 55.916 56.400 0.190 0.000 0.827 575 E CB 1.452 31.369 29.700 0.362 0.000 1.101 575 E HN 0.657 nan 8.360 nan 0.000 0.393 576 I N 4.390 125.059 120.570 0.165 0.000 2.503 576 I HA 0.213 4.382 4.170 -0.001 0.000 0.282 576 I C -0.658 175.551 176.117 0.154 0.000 1.059 576 I CA -0.754 60.629 61.300 0.137 0.000 1.081 576 I CB 1.560 39.657 38.000 0.163 0.000 1.210 576 I HN 0.473 nan 8.210 nan 0.000 0.450 577 N N 7.690 126.422 118.700 0.055 0.000 2.472 577 N HA 0.551 5.290 4.740 -0.001 0.000 0.277 577 N C -0.931 174.619 175.510 0.067 0.000 1.081 577 N CA -0.180 52.891 53.050 0.035 0.000 0.973 577 N CB 2.070 40.526 38.487 -0.052 0.000 1.105 577 N HN 0.390 nan 8.380 nan 0.000 0.470 578 L N 0.817 122.126 121.223 0.143 0.000 2.354 578 L HA 0.473 4.812 4.340 -0.001 0.000 0.269 578 L C 0.579 177.515 176.870 0.110 0.000 1.005 578 L CA -0.998 53.936 54.840 0.158 0.000 0.819 578 L CB 1.793 43.998 42.059 0.242 0.000 1.311 578 L HN 0.456 nan 8.230 nan 0.000 0.423 579 A N 2.721 125.566 122.820 0.041 0.000 3.029 579 A HA 0.328 4.647 4.320 -0.001 0.000 0.251 579 A C 0.078 177.393 177.584 -0.448 0.000 1.749 579 A CA -0.229 51.710 52.037 -0.163 0.000 1.386 579 A CB -0.987 17.866 19.000 -0.246 0.000 1.043 579 A HN 0.367 nan 8.150 nan 0.000 0.638 580 V N 1.428 121.303 119.914 -0.065 0.000 2.397 580 V HA 0.078 4.197 4.120 -0.001 0.000 0.262 580 V C 0.814 177.001 176.094 0.154 0.000 1.047 580 V CA 0.493 62.803 62.300 0.017 0.000 1.003 580 V CB -0.712 31.195 31.823 0.139 0.000 1.037 580 V HN 0.909 nan 8.190 nan 0.000 0.480 581 H N 1.742 120.890 119.070 0.130 0.000 3.017 581 H HA 0.006 4.561 4.556 -0.001 0.000 0.255 581 H C 2.067 177.486 175.328 0.152 0.000 0.990 581 H CA 0.722 56.852 56.048 0.138 0.000 1.205 581 H CB 0.658 30.513 29.762 0.155 0.000 1.460 581 H HN 0.731 nan 8.280 nan 0.000 0.478 582 S N 0.529 116.389 115.700 0.267 0.000 2.458 582 S HA 0.047 4.516 4.470 -0.001 0.000 0.223 582 S C 0.777 175.486 174.600 0.182 0.000 1.019 582 S CA -0.106 58.240 58.200 0.243 0.000 0.937 582 S CB 0.052 63.438 63.200 0.311 0.000 0.788 582 S HN -0.024 nan 8.310 nan 0.000 0.511 583 V N 3.082 123.085 119.914 0.149 0.000 2.334 583 V HA 0.430 4.550 4.120 -0.001 0.000 0.281 583 V C -0.446 175.702 176.094 0.091 0.000 1.016 583 V CA -0.524 61.840 62.300 0.108 0.000 0.832 583 V CB 0.880 32.755 31.823 0.087 0.000 0.999 583 V HN 0.361 nan 8.190 nan 0.000 0.439 584 M N 5.299 124.945 119.600 0.076 0.000 2.628 584 M HA 0.159 4.638 4.480 -0.001 0.000 0.326 584 M C 0.663 176.981 176.300 0.031 0.000 1.613 584 M CA 0.637 55.972 55.300 0.059 0.000 1.387 584 M CB -0.537 32.096 32.600 0.056 0.000 1.761 584 M HN 0.548 nan 8.290 nan 0.000 0.459 585 E N 2.004 122.216 120.200 0.020 0.000 2.585 585 E HA 0.249 4.598 4.350 -0.001 0.000 0.256 585 E C -0.343 176.240 176.600 -0.028 0.000 1.383 585 E CA 0.042 56.434 56.400 -0.013 0.000 1.029 585 E CB 0.699 30.376 29.700 -0.038 0.000 1.044 585 E HN 0.315 nan 8.360 nan 0.000 0.595 586 K N -0.121 120.251 120.400 -0.046 0.000 2.512 586 K HA 0.408 4.727 4.320 -0.001 0.000 0.263 586 K C -2.748 173.825 176.600 -0.045 0.000 0.966 586 K CA -1.884 54.379 56.287 -0.042 0.000 0.851 586 K CB 1.588 34.065 32.500 -0.038 0.000 1.395 586 K HN 0.074 nan 8.250 nan 0.000 0.440 587 P HA 0.144 nan 4.420 nan 0.000 0.271 587 P C -1.512 175.770 177.300 -0.030 0.000 1.233 587 P CA 0.004 63.097 63.100 -0.011 0.000 0.789 587 P CB 0.490 32.167 31.700 -0.038 0.000 0.951 588 E N 0.241 120.435 120.200 -0.011 0.000 2.650 588 E HA 0.110 4.459 4.350 -0.001 0.000 0.297 588 E C -1.789 174.890 176.600 0.132 0.000 1.131 588 E CA -0.557 55.856 56.400 0.022 0.000 0.913 588 E CB 0.850 30.542 29.700 -0.013 0.000 1.181 588 E HN 0.546 nan 8.360 nan 0.000 0.440 589 E N 4.324 124.619 120.200 0.159 0.000 2.216 589 E HA 0.591 4.941 4.350 -0.001 0.000 0.260 589 E C -1.150 175.635 176.600 0.308 0.000 0.880 589 E CA -0.748 55.815 56.400 0.272 0.000 0.765 589 E CB 0.911 30.751 29.700 0.233 0.000 1.174 589 E HN 0.290 nan 8.360 nan 0.000 0.417 590 F N -0.355 119.600 119.950 0.008 0.000 2.650 590 F HA 0.641 5.167 4.527 -0.001 0.000 0.320 590 F C -0.688 175.079 175.800 -0.054 0.000 1.091 590 F CA -1.561 56.418 58.000 -0.034 0.000 0.962 590 F CB 1.099 40.060 39.000 -0.064 0.000 1.363 590 F HN 0.295 nan 8.300 nan 0.000 0.482 591 E N 0.812 120.979 120.200 -0.055 0.000 2.191 591 E HA 0.775 5.125 4.350 -0.001 0.000 0.274 591 E C -1.000 175.549 176.600 -0.084 0.000 0.948 591 E CA -1.117 55.175 56.400 -0.179 0.000 0.802 591 E CB 2.007 31.645 29.700 -0.103 0.000 1.137 591 E HN 0.989 nan 8.360 nan 0.000 0.397 592 A N 1.930 124.666 122.820 -0.140 0.000 2.567 592 A HA 0.281 4.600 4.320 -0.001 0.000 0.291 592 A C -0.432 177.135 177.584 -0.027 0.000 1.048 592 A CA -0.677 51.368 52.037 0.014 0.000 0.661 592 A CB 1.365 20.502 19.000 0.229 0.000 1.288 592 A HN 0.614 nan 8.150 nan 0.000 0.424 593 K N -0.369 120.039 120.400 0.014 0.000 2.370 593 K HA 0.288 4.607 4.320 -0.001 0.000 0.194 593 K C -0.246 176.340 176.600 -0.023 0.000 1.070 593 K CA 0.915 57.194 56.287 -0.013 0.000 0.998 593 K CB 0.256 32.751 32.500 -0.008 0.000 0.911 593 K HN 0.715 nan 8.250 nan 0.000 0.533 594 E N -0.171 120.033 120.200 0.008 0.000 2.363 594 E HA 0.267 4.617 4.350 -0.001 0.000 0.281 594 E C -1.545 175.096 176.600 0.069 0.000 0.953 594 E CA -0.867 55.482 56.400 -0.084 0.000 0.778 594 E CB 1.690 31.335 29.700 -0.092 0.000 1.220 594 E HN 0.071 nan 8.360 nan 0.000 0.431 595 F N -1.044 118.906 119.950 -0.001 0.000 2.641 595 F HA 0.623 5.149 4.527 -0.001 0.000 0.308 595 F C -0.860 174.914 175.800 -0.044 0.000 1.105 595 F CA -1.092 56.935 58.000 0.044 0.000 0.964 595 F CB 1.344 40.489 39.000 0.240 0.000 1.294 595 F HN 0.289 nan 8.300 nan 0.000 0.442 596 E N 1.177 121.507 120.200 0.217 0.000 2.242 596 E HA 0.750 5.099 4.350 -0.001 0.000 0.275 596 E C -1.602 175.079 176.600 0.135 0.000 1.002 596 E CA -0.961 55.478 56.400 0.066 0.000 0.841 596 E CB 2.074 31.776 29.700 0.004 0.000 1.109 596 E HN 0.634 nan 8.360 nan 0.000 0.394 597 V N 3.494 123.425 119.914 0.028 0.000 2.588 597 V HA 0.386 4.506 4.120 -0.001 0.000 0.304 597 V C -0.922 175.181 176.094 0.014 0.000 1.042 597 V CA -0.888 61.439 62.300 0.046 0.000 0.877 597 V CB 1.815 33.630 31.823 -0.014 0.000 0.996 597 V HN 0.638 nan 8.190 nan 0.000 0.425 598 N N 2.325 121.047 118.700 0.037 0.000 2.461 598 N HA 0.470 5.210 4.740 -0.001 0.000 0.284 598 N C -1.521 174.009 175.510 0.034 0.000 1.049 598 N CA -0.372 52.688 53.050 0.017 0.000 0.889 598 N CB 1.844 40.330 38.487 -0.002 0.000 1.365 598 N HN 0.715 nan 8.380 nan 0.000 0.499 599 D N 4.484 124.902 120.400 0.030 0.000 2.443 599 D HA 0.424 5.063 4.640 -0.001 0.000 0.281 599 D C -1.913 174.385 176.300 -0.003 0.000 1.210 599 D CA -2.077 51.950 54.000 0.045 0.000 0.875 599 D CB 1.273 42.113 40.800 0.066 0.000 1.125 599 D HN 0.295 nan 8.370 nan 0.000 0.503 600 P HA -0.225 nan 4.420 nan 0.000 0.222 600 P C 0.224 177.244 177.300 -0.467 0.000 1.159 600 P CA 1.592 64.506 63.100 -0.310 0.000 0.920 600 P CB -0.001 31.479 31.700 -0.367 0.000 0.793 601 Y N -2.589 117.753 120.300 0.070 0.000 2.658 601 Y HA 0.446 4.995 4.550 -0.001 0.000 0.276 601 Y C 1.677 177.641 175.900 0.107 0.000 1.167 601 Y CA -0.104 58.048 58.100 0.087 0.000 1.230 601 Y CB 0.143 38.658 38.460 0.092 0.000 1.144 601 Y HN -0.056 nan 8.280 nan 0.000 0.529 602 G N 0.551 109.437 108.800 0.143 0.000 2.665 602 G HA2 0.116 4.075 3.960 -0.001 0.000 0.204 602 G HA3 0.116 4.075 3.960 -0.001 0.000 0.204 602 G C 0.919 175.833 174.900 0.024 0.000 1.883 602 G CA -0.007 45.150 45.100 0.095 0.000 0.734 602 G HN 0.241 nan 8.290 nan 0.000 0.811 603 I N -0.432 120.141 120.570 0.005 0.000 3.793 603 I HA 0.463 4.633 4.170 -0.001 0.000 0.315 603 I C 1.196 177.390 176.117 0.129 0.000 1.275 603 I CA 0.441 61.777 61.300 0.060 0.000 1.214 603 I CB -0.479 37.639 38.000 0.196 0.000 1.018 603 I HN 0.748 nan 8.210 nan 0.000 0.439 604 G N 2.201 111.037 108.800 0.060 0.000 2.525 604 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.248 604 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.248 604 G C -0.378 174.546 174.900 0.039 0.000 1.238 604 G CA -0.055 45.066 45.100 0.035 0.000 0.926 604 G HN 0.473 nan 8.290 nan 0.000 0.574 605 K N 0.138 120.550 120.400 0.020 0.000 2.206 605 K HA 0.644 4.964 4.320 -0.001 0.000 0.264 605 K C -0.031 176.524 176.600 -0.075 0.000 0.967 605 K CA -0.148 56.124 56.287 -0.024 0.000 0.844 605 K CB 1.700 34.175 32.500 -0.043 0.000 1.099 605 K HN 1.349 nan 8.250 nan 0.000 0.441 606 V N 0.306 120.124 119.914 -0.159 0.000 3.147 606 V HA 0.678 4.798 4.120 -0.001 0.000 0.306 606 V C -1.405 174.452 176.094 -0.396 0.000 1.209 606 V CA -1.127 60.945 62.300 -0.379 0.000 1.023 606 V CB 2.049 33.532 31.823 -0.567 0.000 1.059 606 V HN 0.864 nan 8.190 nan 0.000 0.435 607 R N 1.854 122.022 120.500 -0.554 0.000 2.744 607 R HA 0.775 5.115 4.340 -0.001 0.000 0.279 607 R C -1.814 174.107 176.300 -0.633 0.000 0.977 607 R CA -0.905 54.903 56.100 -0.486 0.000 0.906 607 R CB 2.225 32.315 30.300 -0.350 0.000 1.197 607 R HN 0.911 nan 8.270 nan 0.000 0.463 608 I N 3.366 123.507 120.570 -0.715 0.000 2.382 608 I HA 0.275 4.444 4.170 -0.001 0.000 0.286 608 I C -0.597 175.164 176.117 -0.593 0.000 1.002 608 I CA -0.463 60.406 61.300 -0.718 0.000 1.135 608 I CB 1.891 39.289 38.000 -1.003 0.000 1.288 608 I HN 0.507 nan 8.210 nan 0.000 0.448 609 E N 7.463 127.438 120.200 -0.375 0.000 2.199 609 E HA 0.585 4.934 4.350 -0.001 0.000 0.265 609 E C -1.093 175.429 176.600 -0.130 0.000 0.882 609 E CA -0.690 55.567 56.400 -0.238 0.000 0.759 609 E CB 2.580 32.163 29.700 -0.195 0.000 1.148 609 E HN 0.432 nan 8.360 nan 0.000 0.412 610 L N 1.704 122.888 121.223 -0.065 0.000 2.365 610 L HA 0.345 4.685 4.340 -0.001 0.000 0.267 610 L C 0.986 177.888 176.870 0.053 0.000 1.033 610 L CA -0.790 54.076 54.840 0.044 0.000 0.802 610 L CB 0.778 42.906 42.059 0.116 0.000 1.267 610 L HN 0.645 nan 8.230 nan 0.000 0.457 611 D N 0.089 120.554 120.400 0.109 0.000 2.342 611 D HA 0.059 4.698 4.640 -0.001 0.000 0.221 611 D C -0.064 176.297 176.300 0.101 0.000 1.101 611 D CA 0.020 54.070 54.000 0.084 0.000 0.837 611 D CB 0.617 41.469 40.800 0.087 0.000 0.938 611 D HN 0.552 nan 8.370 nan 0.000 0.508 612 K N -0.162 120.313 120.400 0.125 0.000 2.636 612 K HA 0.444 4.763 4.320 -0.001 0.000 0.268 612 K C -1.698 174.938 176.600 0.061 0.000 0.958 612 K CA -0.665 55.689 56.287 0.111 0.000 0.875 612 K CB 1.346 33.954 32.500 0.180 0.000 1.382 612 K HN -0.095 nan 8.250 nan 0.000 0.405 613 A N 1.828 124.627 122.820 -0.035 0.000 2.425 613 A HA 0.699 5.019 4.320 -0.001 0.000 0.242 613 A C -0.193 177.178 177.584 -0.356 0.000 1.077 613 A CA 0.577 52.528 52.037 -0.143 0.000 0.781 613 A CB 0.353 19.288 19.000 -0.108 0.000 1.020 613 A HN 1.097 nan 8.150 nan 0.000 0.494 614 A N 0.872 123.385 122.820 -0.513 0.000 2.581 614 A HA 0.646 4.965 4.320 -0.001 0.000 0.290 614 A C -0.507 176.706 177.584 -0.619 0.000 1.119 614 A CA -0.589 50.944 52.037 -0.840 0.000 0.670 614 A CB 0.611 18.477 19.000 -1.890 0.000 1.280 614 A HN 0.895 nan 8.150 nan 0.000 0.425 615 K N 0.950 120.970 120.400 -0.633 0.000 2.349 615 K HA 0.491 4.810 4.320 -0.001 0.000 0.289 615 K C -1.199 175.055 176.600 -0.577 0.000 1.064 615 K CA -0.098 55.873 56.287 -0.527 0.000 0.947 615 K CB 0.382 32.572 32.500 -0.518 0.000 1.007 615 K HN 0.404 nan 8.250 nan 0.000 0.478 616 V N 5.843 125.421 119.914 -0.560 0.000 2.350 616 V HA 0.222 4.341 4.120 -0.001 0.000 0.276 616 V C -0.658 175.327 176.094 -0.182 0.000 1.028 616 V CA -0.852 61.137 62.300 -0.518 0.000 0.860 616 V CB 0.388 31.623 31.823 -0.980 0.000 0.990 616 V HN 0.727 nan 8.190 nan 0.000 0.453 617 W N 4.644 125.807 121.300 -0.228 0.000 2.335 617 W HA 0.569 5.229 4.660 -0.001 0.000 0.307 617 W C 0.239 176.771 176.519 0.023 0.000 1.117 617 W CA -1.196 56.091 57.345 -0.096 0.000 1.228 617 W CB 1.060 30.419 29.460 -0.167 0.000 1.240 617 W HN 0.407 nan 8.180 nan 0.000 0.468 618 K N 4.293 124.830 120.400 0.228 0.000 2.316 618 K HA 0.670 4.989 4.320 -0.001 0.000 0.251 618 K C -1.469 175.190 176.600 0.098 0.000 0.934 618 K CA -0.589 55.701 56.287 0.005 0.000 0.802 618 K CB 1.729 34.181 32.500 -0.080 0.000 1.171 618 K HN 0.264 nan 8.250 nan 0.000 0.426 619 F N 1.474 121.314 119.950 -0.184 0.000 2.669 619 F HA 0.429 4.955 4.527 -0.001 0.000 0.315 619 F C -3.079 172.625 175.800 -0.161 0.000 1.109 619 F CA -2.040 55.869 58.000 -0.151 0.000 1.028 619 F CB 1.234 40.170 39.000 -0.107 0.000 1.287 619 F HN 0.314 nan 8.300 nan 0.000 0.452 620 P HA 0.343 nan 4.420 nan 0.000 0.279 620 P C -0.428 176.860 177.300 -0.019 0.000 1.239 620 P CA -0.077 62.964 63.100 -0.099 0.000 0.789 620 P CB 1.917 33.580 31.700 -0.062 0.000 0.933 621 I N 3.716 124.246 120.570 -0.068 0.000 2.347 621 I HA 0.133 4.303 4.170 -0.001 0.000 0.294 621 I C 0.944 177.057 176.117 -0.006 0.000 1.090 621 I CA -0.018 61.286 61.300 0.008 0.000 1.314 621 I CB 0.014 38.013 38.000 -0.002 0.000 1.423 621 I HN 0.012 nan 8.210 nan 0.000 0.503 622 K N 5.525 125.885 120.400 -0.068 0.000 2.235 622 K HA 0.462 4.782 4.320 -0.001 0.000 0.266 622 K C -0.152 176.494 176.600 0.076 0.000 0.980 622 K CA -0.449 55.705 56.287 -0.222 0.000 0.849 622 K CB 1.857 33.807 32.500 -0.917 0.000 1.098 622 K HN 0.624 nan 8.250 nan 0.000 0.445 623 T N 0.225 114.967 114.554 0.312 0.000 2.841 623 T HA 0.466 4.816 4.350 -0.001 0.000 0.283 623 T C 0.470 175.432 174.700 0.437 0.000 1.000 623 T CA -0.934 61.404 62.100 0.396 0.000 0.977 623 T CB 0.927 69.993 68.868 0.331 0.000 0.979 623 T HN 0.319 nan 8.240 nan 0.000 0.446 624 L N 2.259 123.654 121.223 0.287 0.000 2.499 624 L HA 0.403 4.743 4.340 -0.001 0.000 0.281 624 L C 0.758 177.654 176.870 0.043 0.000 1.234 624 L CA -0.103 54.773 54.840 0.060 0.000 0.839 624 L CB 0.804 42.823 42.059 -0.066 0.000 1.104 624 L HN 0.834 nan 8.230 nan 0.000 0.500 625 S N 1.375 117.068 115.700 -0.012 0.000 2.614 625 S HA 0.266 4.735 4.470 -0.001 0.000 0.275 625 S C -0.919 173.545 174.600 -0.226 0.000 1.161 625 S CA -0.783 57.396 58.200 -0.035 0.000 0.969 625 S CB 1.469 64.715 63.200 0.077 0.000 1.059 625 S HN 0.500 nan 8.310 nan 0.000 0.482 626 Q N 3.194 122.793 119.800 -0.335 0.000 2.430 626 Q HA 0.406 4.746 4.340 -0.001 0.000 0.245 626 Q C -0.108 175.643 176.000 -0.415 0.000 1.021 626 Q CA -0.176 55.241 55.803 -0.643 0.000 0.867 626 Q CB 1.404 29.608 28.738 -0.890 0.000 1.210 626 Q HN 0.828 nan 8.270 nan 0.000 0.487 627 S N 0.845 116.285 115.700 -0.433 0.000 2.798 627 S HA 0.393 4.862 4.470 -0.001 0.000 0.312 627 S C 0.773 175.135 174.600 -0.396 0.000 1.122 627 S CA -0.773 57.119 58.200 -0.513 0.000 0.949 627 S CB 1.080 64.021 63.200 -0.431 0.000 1.235 627 S HN 0.492 nan 8.310 nan 0.000 0.552 628 E N 0.272 120.258 120.200 -0.357 0.000 2.268 628 E HA -0.010 4.339 4.350 -0.001 0.000 0.195 628 E C 1.898 178.397 176.600 -0.169 0.000 0.995 628 E CA 0.902 57.156 56.400 -0.243 0.000 0.836 628 E CB -0.312 29.266 29.700 -0.204 0.000 0.763 628 E HN 0.692 nan 8.360 nan 0.000 0.491 629 A N 0.935 123.660 122.820 -0.158 0.000 2.067 629 A HA 0.298 4.617 4.320 -0.001 0.000 0.217 629 A C 1.225 178.763 177.584 -0.076 0.000 1.156 629 A CA 1.131 53.112 52.037 -0.094 0.000 0.683 629 A CB 0.020 18.979 19.000 -0.069 0.000 0.808 629 A HN 0.337 nan 8.150 nan 0.000 0.455 630 G N -2.481 106.242 108.800 -0.128 0.000 2.265 630 G HA2 0.015 3.974 3.960 -0.001 0.000 0.246 630 G HA3 0.015 3.974 3.960 -0.001 0.000 0.246 630 G C -1.407 173.398 174.900 -0.159 0.000 1.299 630 G CA -0.548 44.502 45.100 -0.084 0.000 1.117 630 G HN 0.416 nan 8.290 nan 0.000 0.485 631 W N 2.421 123.660 121.300 -0.102 0.000 2.358 631 W HA 0.660 5.319 4.660 -0.001 0.000 0.307 631 W C 0.125 176.543 176.519 -0.169 0.000 1.203 631 W CA -0.048 57.212 57.345 -0.141 0.000 1.279 631 W CB 0.917 30.276 29.460 -0.168 0.000 1.264 631 W HN 0.491 nan 8.180 nan 0.000 0.474 632 D N 0.956 121.348 120.400 -0.015 0.000 2.687 632 D HA 0.461 5.101 4.640 -0.001 0.000 0.264 632 D C -1.162 175.087 176.300 -0.086 0.000 1.091 632 D CA -0.595 53.389 54.000 -0.026 0.000 1.123 632 D CB 1.915 42.742 40.800 0.045 0.000 1.407 632 D HN -0.073 nan 8.370 nan 0.000 0.591 633 F N 0.273 120.279 119.950 0.094 0.000 2.556 633 F HA 0.563 5.089 4.527 -0.001 0.000 0.327 633 F C 0.078 175.930 175.800 0.088 0.000 1.059 633 F CA -0.704 57.347 58.000 0.085 0.000 0.953 633 F CB 1.379 40.423 39.000 0.073 0.000 1.227 633 F HN 0.038 nan 8.300 nan 0.000 0.478 634 I N 1.480 122.272 120.570 0.370 0.000 2.533 634 I HA 0.250 4.419 4.170 -0.001 0.000 0.290 634 I C -0.811 175.400 176.117 0.157 0.000 1.056 634 I CA -0.817 60.614 61.300 0.217 0.000 1.057 634 I CB 2.143 40.243 38.000 0.166 0.000 1.240 634 I HN 0.445 nan 8.210 nan 0.000 0.423 635 Q N 5.375 125.246 119.800 0.117 0.000 2.423 635 Q HA 0.146 4.485 4.340 -0.001 0.000 0.235 635 Q C 0.367 176.415 176.000 0.079 0.000 1.100 635 Q CA -0.465 55.389 55.803 0.085 0.000 0.908 635 Q CB 0.884 29.680 28.738 0.096 0.000 1.312 635 Q HN 0.534 nan 8.270 nan 0.000 0.497 636 Q N 2.149 121.985 119.800 0.060 0.000 2.297 636 Q HA 0.124 4.464 4.340 -0.001 0.000 0.204 636 Q C 0.529 176.628 176.000 0.164 0.000 0.962 636 Q CA 1.142 56.958 55.803 0.021 0.000 0.879 636 Q CB 0.683 29.439 28.738 0.030 0.000 0.947 636 Q HN 0.798 nan 8.270 nan 0.000 0.462 637 G N -1.497 107.399 108.800 0.161 0.000 2.317 637 G HA2 0.342 4.301 3.960 -0.001 0.000 0.293 637 G HA3 0.342 4.301 3.960 -0.001 0.000 0.293 637 G C -1.799 173.112 174.900 0.018 0.000 1.287 637 G CA -0.593 44.607 45.100 0.166 0.000 0.850 637 G HN -0.084 nan 8.290 nan 0.000 0.515 638 V N 0.011 119.914 119.914 -0.018 0.000 2.823 638 V HA 0.771 4.890 4.120 -0.001 0.000 0.312 638 V C -0.001 175.907 176.094 -0.310 0.000 1.072 638 V CA -0.548 61.617 62.300 -0.224 0.000 0.937 638 V CB 1.864 33.545 31.823 -0.237 0.000 1.013 638 V HN 1.088 nan 8.190 nan 0.000 0.430 639 S N 3.197 118.487 115.700 -0.684 0.000 2.433 639 S HA 0.669 5.139 4.470 -0.001 0.000 0.310 639 S C -1.469 172.858 174.600 -0.454 0.000 1.097 639 S CA -0.353 57.502 58.200 -0.576 0.000 1.103 639 S CB 0.203 62.780 63.200 -1.039 0.000 0.992 639 S HN 0.481 nan 8.310 nan 0.000 0.469 640 Y N 2.784 123.075 120.300 -0.015 0.000 2.356 640 Y HA 0.422 4.971 4.550 -0.001 0.000 0.334 640 Y C 0.754 176.731 175.900 0.129 0.000 0.958 640 Y CA -0.735 57.425 58.100 0.100 0.000 1.196 640 Y CB 1.689 40.283 38.460 0.224 0.000 1.137 640 Y HN 0.574 nan 8.280 nan 0.000 0.485 641 T N 4.085 118.787 114.554 0.247 0.000 2.797 641 T HA 0.602 4.952 4.350 -0.001 0.000 0.279 641 T C -0.585 174.087 174.700 -0.047 0.000 0.991 641 T CA -0.748 61.430 62.100 0.130 0.000 0.979 641 T CB 0.269 69.225 68.868 0.147 0.000 0.943 641 T HN 0.433 nan 8.240 nan 0.000 0.444 642 M N 6.070 125.615 119.600 -0.091 0.000 2.061 642 M HA 0.438 4.917 4.480 -0.001 0.000 0.346 642 M C -0.781 175.339 176.300 -0.301 0.000 1.112 642 M CA -0.683 54.501 55.300 -0.192 0.000 1.021 642 M CB 1.017 33.603 32.600 -0.023 0.000 1.530 642 M HN 0.352 nan 8.290 nan 0.000 0.437 643 L N 4.489 125.393 121.223 -0.532 0.000 2.276 643 L HA 0.533 4.872 4.340 -0.001 0.000 0.286 643 L C -0.864 175.679 176.870 -0.544 0.000 1.061 643 L CA 0.094 54.607 54.840 -0.544 0.000 0.807 643 L CB 0.117 41.694 42.059 -0.805 0.000 1.177 643 L HN 0.507 nan 8.230 nan 0.000 0.429 644 F N 4.097 123.809 119.950 -0.397 0.000 2.520 644 F HA 0.491 5.017 4.527 -0.001 0.000 0.322 644 F C -1.898 173.790 175.800 -0.186 0.000 1.103 644 F CA -2.370 55.461 58.000 -0.280 0.000 0.926 644 F CB 1.745 40.581 39.000 -0.273 0.000 1.154 644 F HN 0.314 nan 8.300 nan 0.000 0.453 645 P HA 0.286 nan 4.420 nan 0.000 0.276 645 P C -0.732 176.586 177.300 0.030 0.000 1.235 645 P CA 0.175 63.257 63.100 -0.030 0.000 0.772 645 P CB 1.920 33.584 31.700 -0.061 0.000 0.871 646 I N 1.815 122.399 120.570 0.024 0.000 2.969 646 I HA 0.259 4.429 4.170 -0.001 0.000 0.307 646 I C 0.546 176.690 176.117 0.047 0.000 1.149 646 I CA -0.659 60.671 61.300 0.050 0.000 1.008 646 I CB 3.042 41.085 38.000 0.072 0.000 1.232 646 I HN 0.386 nan 8.210 nan 0.000 0.435 647 E N 3.354 123.589 120.200 0.057 0.000 2.646 647 E HA 0.069 4.418 4.350 -0.001 0.000 0.207 647 E C 0.246 176.897 176.600 0.086 0.000 0.922 647 E CA 0.253 56.687 56.400 0.057 0.000 1.482 647 E CB 0.704 30.411 29.700 0.013 0.000 1.509 647 E HN 0.562 nan 8.360 nan 0.000 0.831 648 K N -0.156 120.288 120.400 0.072 0.000 2.469 648 K HA 0.158 4.477 4.320 -0.001 0.000 0.143 648 K C -0.967 175.655 176.600 0.036 0.000 2.062 648 K CA 0.583 56.907 56.287 0.060 0.000 1.292 648 K CB 0.459 32.985 32.500 0.043 0.000 2.267 648 K HN -0.033 nan 8.250 nan 0.000 0.535 649 E N 0.105 120.319 120.200 0.024 0.000 2.343 649 E HA 0.715 5.065 4.350 -0.001 0.000 0.270 649 E C -2.024 174.577 176.600 0.001 0.000 0.895 649 E CA -0.795 55.607 56.400 0.002 0.000 0.767 649 E CB 1.805 31.504 29.700 -0.001 0.000 1.248 649 E HN 0.095 nan 8.360 nan 0.000 0.440 650 L N 1.913 123.121 121.223 -0.025 0.000 2.787 650 L HA 0.445 4.784 4.340 -0.001 0.000 0.260 650 L C -1.949 174.889 176.870 -0.055 0.000 0.921 650 L CA 0.106 54.941 54.840 -0.009 0.000 0.984 650 L CB 1.680 43.734 42.059 -0.007 0.000 1.519 650 L HN 0.691 nan 8.230 nan 0.000 0.452 651 E N 4.595 124.785 120.200 -0.016 0.000 2.314 651 E HA 0.768 5.117 4.350 -0.001 0.000 0.272 651 E C -1.596 174.994 176.600 -0.018 0.000 0.884 651 E CA -0.495 55.838 56.400 -0.111 0.000 0.753 651 E CB 2.553 32.200 29.700 -0.088 0.000 1.213 651 E HN 0.445 nan 8.360 nan 0.000 0.432 652 F N -1.614 118.249 119.950 -0.145 0.000 3.169 652 F HA 0.725 5.251 4.527 -0.001 0.000 0.325 652 F C -1.270 174.480 175.800 -0.083 0.000 1.175 652 F CA -0.753 57.141 58.000 -0.177 0.000 0.887 652 F CB 1.480 40.170 39.000 -0.516 0.000 1.457 652 F HN 0.170 nan 8.300 nan 0.000 0.496 653 T N 1.284 116.014 114.554 0.293 0.000 3.032 653 T HA 0.623 4.972 4.350 -0.001 0.000 0.312 653 T C -1.713 173.148 174.700 0.269 0.000 1.078 653 T CA -0.617 61.600 62.100 0.195 0.000 1.028 653 T CB 1.894 70.811 68.868 0.082 0.000 1.091 653 T HN 0.658 nan 8.240 nan 0.000 0.457 654 V N 3.244 123.312 119.914 0.256 0.000 2.448 654 V HA 0.666 4.786 4.120 -0.001 0.000 0.295 654 V C 0.056 176.152 176.094 0.004 0.000 1.025 654 V CA -0.963 61.428 62.300 0.151 0.000 0.859 654 V CB 1.744 33.704 31.823 0.229 0.000 0.988 654 V HN 0.743 nan 8.190 nan 0.000 0.431 655 R N 3.211 123.626 120.500 -0.142 0.000 2.670 655 R HA 0.595 4.934 4.340 -0.001 0.000 0.289 655 R C -1.959 174.075 176.300 -0.443 0.000 0.965 655 R CA -0.647 55.279 56.100 -0.290 0.000 0.899 655 R CB 1.864 32.042 30.300 -0.204 0.000 1.173 655 R HN 0.643 nan 8.270 nan 0.000 0.456 656 F N 4.083 123.505 119.950 -0.880 0.000 2.402 656 F HA 0.483 5.009 4.527 -0.001 0.000 0.355 656 F C -0.695 174.751 175.800 -0.590 0.000 1.123 656 F CA -0.590 56.906 58.000 -0.840 0.000 1.021 656 F CB 0.953 39.207 39.000 -1.243 0.000 1.160 656 F HN 0.350 nan 8.300 nan 0.000 0.451 657 R N 4.883 124.798 120.500 -0.975 0.000 2.387 657 R HA 0.241 4.580 4.340 -0.001 0.000 0.314 657 R C -0.714 175.118 176.300 -0.781 0.000 0.958 657 R CA -0.833 54.863 56.100 -0.674 0.000 0.846 657 R CB 1.908 31.954 30.300 -0.425 0.000 1.147 657 R HN 0.708 nan 8.270 nan 0.000 0.447 658 E N 4.042 123.998 120.200 -0.406 0.000 2.313 658 E HA 0.343 4.693 4.350 -0.001 0.000 0.272 658 E C -0.790 175.757 176.600 -0.087 0.000 1.038 658 E CA -0.342 55.965 56.400 -0.155 0.000 0.863 658 E CB 0.820 30.728 29.700 0.346 0.000 1.060 658 E HN 0.375 nan 8.360 nan 0.000 0.402 659 L N 0.000 121.188 121.223 -0.058 0.000 2.949 659 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 659 L CA 0.000 54.812 54.840 -0.046 0.000 0.813 659 L CB 0.000 42.006 42.059 -0.088 0.000 0.961 659 L HN 0.000 nan 8.230 nan 0.000 0.502