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 1fz4_1_A DATA FIRST_RESID 17 DATA SEQUENCE NRAPTSVNAQ EVHRWLQSFN WDFKNNRTKY ATKYKMANET KEQFKLIAKE DATA SEQUENCE YARMEAVKDE RQFGSLQDAL TRLNAGVRVH PKWNETMKVV SNFLEVGEYN DATA SEQUENCE AIAATGMLWD SAQAAEQKNG YLAQVLDEIR HTHQCAYVNY YFAKNGQDPA DATA SEQUENCE GHNDARRTRT IGPLWKGMKR VFSDGFISGD AVECSLNLQL VGEACFTNPL DATA SEQUENCE IVAVTEWAAA NGDEITPTVF LSIETDELRH MANGYQTVVS IANDPASAKY DATA SEQUENCE LNTDLNNAFW TQQKYFTPVL GMLFEYGSKF KVEPWVKTWD RWVYEDWGGI DATA SEQUENCE WIGRLGKYGV ESPRSLKDAK QDAYWAHHDL YLLAYALWPT GFFRLALPDQ DATA SEQUENCE EEMEWFEANY PGWYDHYGKI YEEWRARGCE DPSSGFIPLM WFIENNHPIY DATA SEQUENCE IDRVSQVPFC PSLAKGASTL RVHEYNGEMH TFSDQWGERM WLAEPERYEC DATA SEQUENCE QNIFEQYEGR ELSEVIAELH GLRSDGKTLI AQPHVRGDKL WTLDDIKRLN DATA SEQUENCE CVFKNPVKAF N 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 17 N HA 0.000 nan 4.740 nan 0.000 0.220 17 N C 0.000 175.513 175.510 0.005 0.000 1.280 17 N CA 0.000 53.053 53.050 0.005 0.000 0.885 17 N CB 0.000 38.491 38.487 0.006 0.000 1.341 18 R N 1.632 122.135 120.500 0.005 0.000 3.039 18 R HA 0.377 4.717 4.340 -0.000 0.000 0.336 18 R C 0.323 176.627 176.300 0.006 0.000 1.258 18 R CA -0.381 55.723 56.100 0.005 0.000 1.125 18 R CB 0.639 30.942 30.300 0.005 0.000 1.427 18 R HN 0.461 nan 8.270 nan 0.000 0.588 19 A N 1.920 124.744 122.820 0.007 0.000 2.425 19 A HA 0.325 4.645 4.320 -0.000 0.000 0.249 19 A C -2.015 175.574 177.584 0.008 0.000 1.084 19 A CA -1.214 50.827 52.037 0.007 0.000 0.781 19 A CB -0.013 18.992 19.000 0.008 0.000 1.019 19 A HN 0.091 nan 8.150 nan 0.000 0.490 20 P HA 0.191 nan 4.420 nan 0.000 0.264 20 P C -0.079 177.228 177.300 0.011 0.000 1.229 20 P CA 0.569 63.675 63.100 0.009 0.000 0.780 20 P CB 0.521 32.226 31.700 0.009 0.000 0.808 21 T N -0.014 114.548 114.554 0.013 0.000 2.916 21 T HA 0.787 5.137 4.350 -0.000 0.000 0.292 21 T C -0.412 174.300 174.700 0.019 0.000 1.064 21 T CA -0.561 61.549 62.100 0.016 0.000 1.011 21 T CB 2.016 70.894 68.868 0.017 0.000 1.152 21 T HN 0.203 nan 8.240 nan 0.000 0.510 22 S N -0.044 115.670 115.700 0.023 0.000 2.929 22 S HA 0.792 5.262 4.470 -0.000 0.000 0.311 22 S C -1.900 172.721 174.600 0.034 0.000 1.213 22 S CA -0.476 57.740 58.200 0.027 0.000 0.908 22 S CB 1.197 64.412 63.200 0.025 0.000 1.287 22 S HN 1.024 nan 8.310 nan 0.000 0.594 23 V N 3.065 123.003 119.914 0.040 0.000 2.808 23 V HA 0.495 4.615 4.120 -0.000 0.000 0.308 23 V C -0.783 175.342 176.094 0.053 0.000 1.099 23 V CA -0.912 61.419 62.300 0.052 0.000 0.920 23 V CB 1.598 33.458 31.823 0.062 0.000 1.014 23 V HN 0.994 nan 8.190 nan 0.000 0.425 24 N N 3.337 122.070 118.700 0.054 0.000 2.604 24 N HA 0.697 5.437 4.740 -0.000 0.000 0.297 24 N C 0.997 176.546 175.510 0.065 0.000 1.266 24 N CA -0.134 52.947 53.050 0.050 0.000 0.961 24 N CB 1.082 39.590 38.487 0.036 0.000 1.166 24 N HN 0.583 nan 8.380 nan 0.000 0.601 25 A N -0.265 122.590 122.820 0.058 0.000 1.851 25 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 25 A C 1.998 179.632 177.584 0.085 0.000 1.195 25 A CA 2.364 54.444 52.037 0.071 0.000 0.622 25 A CB -1.576 17.456 19.000 0.053 0.000 0.831 25 A HN 0.863 nan 8.150 nan 0.000 0.444 26 Q N -0.447 119.381 119.800 0.046 0.000 2.197 26 Q HA -0.229 4.111 4.340 -0.000 0.000 0.207 26 Q C 1.610 177.657 176.000 0.079 0.000 0.984 26 Q CA 1.742 57.571 55.803 0.042 0.000 0.869 26 Q CB -0.528 28.203 28.738 -0.011 0.000 0.906 26 Q HN 0.765 nan 8.270 nan 0.000 0.426 27 E N 0.361 120.611 120.200 0.083 0.000 2.265 27 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 27 E C 1.700 178.415 176.600 0.192 0.000 0.996 27 E CA 1.150 57.620 56.400 0.116 0.000 0.832 27 E CB 0.235 29.999 29.700 0.107 0.000 0.756 27 E HN 0.257 nan 8.360 nan 0.000 0.491 28 V N -0.127 119.895 119.914 0.181 0.000 2.672 28 V HA -0.132 3.988 4.120 -0.000 0.000 0.242 28 V C 2.138 178.328 176.094 0.161 0.000 1.059 28 V CA 0.866 63.301 62.300 0.225 0.000 1.081 28 V CB -0.261 31.671 31.823 0.181 0.000 0.752 28 V HN 0.383 nan 8.190 nan 0.000 0.472 29 H N 1.139 120.212 119.070 0.005 0.000 2.457 29 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 29 H C 2.426 177.668 175.328 -0.143 0.000 1.092 29 H CA 1.490 57.484 56.048 -0.089 0.000 1.309 29 H CB 0.038 29.758 29.762 -0.071 0.000 1.382 29 H HN 0.184 nan 8.280 nan 0.000 0.535 30 R N 0.191 120.656 120.500 -0.059 0.000 2.139 30 R HA -0.197 4.143 4.340 -0.000 0.000 0.243 30 R C 1.052 177.018 176.300 -0.556 0.000 1.145 30 R CA 1.790 57.703 56.100 -0.312 0.000 0.976 30 R CB -0.457 29.602 30.300 -0.401 0.000 0.866 30 R HN 0.390 nan 8.270 nan 0.000 0.449 31 W N -0.257 120.972 121.300 -0.118 0.000 3.220 31 W HA 0.209 4.869 4.660 -0.000 0.000 0.328 31 W C 1.619 177.940 176.519 -0.329 0.000 1.205 31 W CA -0.600 56.692 57.345 -0.089 0.000 1.773 31 W CB -0.124 29.387 29.460 0.084 0.000 1.086 31 W HN 0.034 nan 8.180 nan 0.000 0.622 32 L N 0.907 121.796 121.223 -0.557 0.000 2.141 32 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 32 L C 2.663 179.190 176.870 -0.572 0.000 1.094 32 L CA 1.652 55.830 54.840 -1.103 0.000 0.763 32 L CB -0.159 41.310 42.059 -0.984 0.000 0.908 32 L HN -0.011 nan 8.230 nan 0.000 0.437 33 Q N 0.052 119.656 119.800 -0.327 0.000 2.181 33 Q HA -0.207 4.133 4.340 -0.000 0.000 0.205 33 Q C 2.143 178.167 176.000 0.040 0.000 0.980 33 Q CA 2.036 57.759 55.803 -0.133 0.000 0.862 33 Q CB -0.238 28.431 28.738 -0.116 0.000 0.905 33 Q HN 0.684 nan 8.270 nan 0.000 0.429 34 S N -1.185 114.600 115.700 0.142 0.000 2.561 34 S HA 0.001 4.471 4.470 -0.000 0.000 0.225 34 S C 1.333 176.209 174.600 0.460 0.000 0.977 34 S CA -0.006 58.372 58.200 0.296 0.000 0.926 34 S CB -0.400 63.021 63.200 0.368 0.000 0.769 34 S HN 0.277 nan 8.310 nan 0.000 0.533 35 F N 2.605 122.650 119.950 0.159 0.000 2.171 35 F HA 0.195 4.722 4.527 -0.000 0.000 0.300 35 F C 1.422 177.409 175.800 0.312 0.000 1.090 35 F CA -0.229 57.890 58.000 0.198 0.000 1.293 35 F CB -1.289 37.798 39.000 0.145 0.000 1.013 35 F HN 0.284 nan 8.300 nan 0.000 0.486 36 N N -0.126 118.832 118.700 0.430 0.000 2.529 36 N HA 0.176 4.916 4.740 -0.000 0.000 0.278 36 N C -0.797 174.946 175.510 0.387 0.000 1.146 36 N CA -0.331 52.906 53.050 0.312 0.000 0.980 36 N CB 0.497 39.059 38.487 0.124 0.000 1.124 36 N HN 0.164 nan 8.380 nan 0.000 0.458 37 W N 1.477 122.892 121.300 0.191 0.000 2.902 37 W HA 0.568 5.228 4.660 0.000 0.000 0.346 37 W C -1.068 175.572 176.519 0.202 0.000 1.139 37 W CA -0.888 56.567 57.345 0.183 0.000 1.139 37 W CB 0.619 30.187 29.460 0.180 0.000 1.439 37 W HN 0.188 nan 8.180 nan 0.000 0.558 38 D N 1.931 122.515 120.400 0.306 0.000 2.255 38 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 38 D C -0.610 175.882 176.300 0.320 0.000 1.078 38 D CA 0.367 54.444 54.000 0.129 0.000 0.896 38 D CB 1.183 42.052 40.800 0.115 0.000 1.194 38 D HN 0.478 nan 8.370 nan 0.000 0.429 39 F N -1.823 118.133 119.950 0.010 0.000 2.769 39 F HA 0.279 4.806 4.527 -0.000 0.000 0.313 39 F C 0.777 176.579 175.800 0.002 0.000 1.146 39 F CA -1.098 56.930 58.000 0.047 0.000 0.934 39 F CB 0.771 39.834 39.000 0.105 0.000 1.283 39 F HN 0.086 nan 8.300 nan 0.000 0.443 40 K N 0.876 121.428 120.400 0.253 0.000 1.984 40 K HA -0.275 4.045 4.320 -0.000 0.000 0.234 40 K C 0.615 177.207 176.600 -0.012 0.000 0.986 40 K CA 2.692 59.051 56.287 0.120 0.000 1.041 40 K CB -0.540 32.065 32.500 0.175 0.000 0.708 40 K HN 0.839 nan 8.250 nan 0.000 0.493 41 N N 1.646 120.403 118.700 0.094 0.000 2.416 41 N HA -0.054 4.686 4.740 -0.000 0.000 0.215 41 N C -0.221 175.163 175.510 -0.209 0.000 1.208 41 N CA -0.302 52.745 53.050 -0.004 0.000 0.834 41 N CB -0.118 38.430 38.487 0.102 0.000 1.072 41 N HN 0.175 nan 8.380 nan 0.000 0.472 42 N N 2.389 120.649 118.700 -0.734 0.000 2.605 42 N HA 0.057 4.797 4.740 -0.000 0.000 0.258 42 N C -0.730 174.514 175.510 -0.443 0.000 1.156 42 N CA -0.117 52.351 53.050 -0.971 0.000 1.008 42 N CB -0.011 37.433 38.487 -1.738 0.000 1.354 42 N HN 0.303 nan 8.380 nan 0.000 0.509 43 R N -0.587 119.764 120.500 -0.248 0.000 2.733 43 R HA 0.477 4.817 4.340 -0.000 0.000 0.272 43 R C -0.775 175.469 176.300 -0.092 0.000 1.029 43 R CA -0.858 55.157 56.100 -0.143 0.000 0.888 43 R CB -0.618 29.614 30.300 -0.113 0.000 1.251 43 R HN -0.037 nan 8.270 nan 0.000 0.464 44 T N 1.149 115.674 114.554 -0.049 0.000 2.932 44 T HA 0.145 4.495 4.350 -0.000 0.000 0.312 44 T C 0.418 175.071 174.700 -0.077 0.000 1.071 44 T CA -0.316 61.771 62.100 -0.021 0.000 1.128 44 T CB 0.457 69.350 68.868 0.042 0.000 0.984 44 T HN 0.507 nan 8.240 nan 0.000 0.549 45 K N 0.681 120.987 120.400 -0.156 0.000 2.374 45 K HA 0.120 4.440 4.320 -0.000 0.000 0.196 45 K C -0.467 175.816 176.600 -0.529 0.000 1.023 45 K CA 0.311 56.393 56.287 -0.343 0.000 1.103 45 K CB 0.307 32.532 32.500 -0.458 0.000 0.848 45 K HN 0.554 nan 8.250 nan 0.000 0.528 46 Y N 0.712 120.978 120.300 -0.058 0.000 2.377 46 Y HA 0.389 4.939 4.550 -0.000 0.000 0.339 46 Y C 0.275 176.154 175.900 -0.034 0.000 1.011 46 Y CA -1.380 56.690 58.100 -0.051 0.000 1.093 46 Y CB 1.296 39.720 38.460 -0.061 0.000 1.201 46 Y HN -0.087 nan 8.280 nan 0.000 0.455 47 A N 2.155 125.042 122.820 0.111 0.000 2.511 47 A HA 0.457 4.777 4.320 -0.000 0.000 0.242 47 A C 0.220 177.850 177.584 0.075 0.000 1.069 47 A CA 0.554 52.625 52.037 0.056 0.000 0.763 47 A CB 0.029 19.044 19.000 0.026 0.000 1.001 47 A HN 0.678 nan 8.150 nan 0.000 0.498 48 T N 1.030 115.618 114.554 0.057 0.000 3.047 48 T HA 0.379 4.729 4.350 -0.000 0.000 0.340 48 T C 0.339 175.066 174.700 0.045 0.000 1.421 48 T CA -0.634 61.523 62.100 0.096 0.000 1.090 48 T CB 0.959 69.917 68.868 0.150 0.000 1.292 48 T HN 0.630 nan 8.240 nan 0.000 0.480 49 K N 1.872 122.266 120.400 -0.009 0.000 2.400 49 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 49 K C -0.298 176.173 176.600 -0.214 0.000 1.033 49 K CA 0.540 56.688 56.287 -0.232 0.000 1.021 49 K CB 0.205 32.328 32.500 -0.629 0.000 0.808 49 K HN 0.478 nan 8.250 nan 0.000 0.505 50 Y N 0.949 121.294 120.300 0.076 0.000 2.568 50 Y HA 0.332 4.882 4.550 -0.000 0.000 0.327 50 Y C 0.017 175.951 175.900 0.058 0.000 1.163 50 Y CA -1.204 56.948 58.100 0.086 0.000 1.219 50 Y CB 0.901 39.411 38.460 0.082 0.000 1.308 50 Y HN -0.316 nan 8.280 nan 0.000 0.503 51 K N 2.141 122.679 120.400 0.230 0.000 2.559 51 K HA 0.436 4.756 4.320 -0.000 0.000 0.249 51 K C -1.458 175.211 176.600 0.114 0.000 0.958 51 K CA -0.366 55.999 56.287 0.131 0.000 0.901 51 K CB 0.493 33.045 32.500 0.085 0.000 1.124 51 K HN 0.732 nan 8.250 nan 0.000 0.437 52 M N 3.512 123.169 119.600 0.096 0.000 2.194 52 M HA 0.170 4.650 4.480 -0.000 0.000 0.347 52 M C 0.330 176.659 176.300 0.048 0.000 1.439 52 M CA -0.267 55.075 55.300 0.071 0.000 1.131 52 M CB 1.089 33.737 32.600 0.080 0.000 1.733 52 M HN 0.672 nan 8.290 nan 0.000 0.467 53 A N 3.705 126.547 122.820 0.037 0.000 2.580 53 A HA -0.025 4.295 4.320 -0.000 0.000 0.244 53 A C 0.874 178.469 177.584 0.017 0.000 1.045 53 A CA -0.154 51.898 52.037 0.026 0.000 0.761 53 A CB -0.181 18.832 19.000 0.022 0.000 0.962 53 A HN 0.915 nan 8.150 nan 0.000 0.512 54 N N 1.513 120.220 118.700 0.012 0.000 2.375 54 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 54 N C 0.127 175.640 175.510 0.005 0.000 1.170 54 N CA 0.406 53.460 53.050 0.006 0.000 0.833 54 N CB 0.140 38.625 38.487 -0.004 0.000 1.069 54 N HN 0.795 nan 8.380 nan 0.000 0.479 55 E N -1.102 119.100 120.200 0.004 0.000 2.715 55 E HA 0.085 4.435 4.350 -0.000 0.000 0.224 55 E C -0.487 176.108 176.600 -0.008 0.000 0.962 55 E CA -0.226 56.173 56.400 -0.000 0.000 1.145 55 E CB 0.542 30.245 29.700 0.005 0.000 1.083 55 E HN 0.189 nan 8.360 nan 0.000 0.506 56 T N 2.190 116.738 114.554 -0.010 0.000 2.906 56 T HA 0.053 4.403 4.350 -0.000 0.000 0.320 56 T C 0.131 174.814 174.700 -0.029 0.000 1.088 56 T CA 0.609 62.698 62.100 -0.018 0.000 1.120 56 T CB 0.643 69.493 68.868 -0.029 0.000 1.000 56 T HN -0.026 nan 8.240 nan 0.000 0.550 57 K N 1.665 122.051 120.400 -0.024 0.000 2.318 57 K HA 0.365 4.684 4.320 -0.000 0.000 0.249 57 K C -0.054 176.536 176.600 -0.017 0.000 0.942 57 K CA -0.936 55.339 56.287 -0.020 0.000 0.808 57 K CB 1.914 34.405 32.500 -0.015 0.000 1.189 57 K HN 0.752 nan 8.250 nan 0.000 0.428 58 E N 1.422 121.626 120.200 0.007 0.000 2.283 58 E HA 0.058 4.408 4.350 -0.000 0.000 0.271 58 E C 0.333 176.931 176.600 -0.003 0.000 1.031 58 E CA -0.564 55.846 56.400 0.016 0.000 0.868 58 E CB 1.647 31.374 29.700 0.046 0.000 1.094 58 E HN 0.598 nan 8.360 nan 0.000 0.401 59 Q N 1.647 121.442 119.800 -0.010 0.000 2.123 59 Q HA -0.003 4.337 4.340 -0.000 0.000 0.199 59 Q C -0.471 175.284 176.000 -0.407 0.000 0.966 59 Q CA 0.778 56.451 55.803 -0.217 0.000 0.845 59 Q CB 0.117 28.680 28.738 -0.292 0.000 0.907 59 Q HN 0.584 nan 8.270 nan 0.000 0.439 60 F N 1.581 121.455 119.950 -0.127 0.000 2.361 60 F HA 0.328 4.855 4.527 -0.000 0.000 0.364 60 F C -0.216 175.386 175.800 -0.329 0.000 1.120 60 F CA -0.788 57.111 58.000 -0.168 0.000 1.102 60 F CB 1.210 40.155 39.000 -0.092 0.000 1.183 60 F HN -0.238 nan 8.300 nan 0.000 0.476 61 K N 5.362 125.530 120.400 -0.387 0.000 2.199 61 K HA 0.257 4.577 4.320 -0.000 0.000 0.226 61 K C -0.530 175.837 176.600 -0.389 0.000 1.237 61 K CA 0.161 55.880 56.287 -0.946 0.000 1.170 61 K CB -0.122 31.995 32.500 -0.639 0.000 1.418 61 K HN 0.585 nan 8.250 nan 0.000 0.255 62 L N 2.862 123.986 121.223 -0.164 0.000 2.334 62 L HA 0.619 4.959 4.340 -0.000 0.000 0.270 62 L C 0.163 177.101 176.870 0.115 0.000 1.018 62 L CA -1.314 53.548 54.840 0.037 0.000 0.811 62 L CB 1.230 43.340 42.059 0.085 0.000 1.271 62 L HN 0.382 nan 8.230 nan 0.000 0.443 63 I N -1.773 118.861 120.570 0.107 0.000 2.934 63 I HA 0.595 4.765 4.170 -0.000 0.000 0.306 63 I C 0.865 177.044 176.117 0.103 0.000 1.110 63 I CA -0.866 60.493 61.300 0.098 0.000 1.019 63 I CB 2.014 40.077 38.000 0.105 0.000 1.227 63 I HN 0.640 nan 8.210 nan 0.000 0.434 64 A N 3.114 125.978 122.820 0.074 0.000 1.884 64 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 64 A C 2.124 179.793 177.584 0.142 0.000 1.197 64 A CA 1.854 53.943 52.037 0.088 0.000 0.637 64 A CB -0.687 18.342 19.000 0.048 0.000 0.827 64 A HN 0.832 nan 8.150 nan 0.000 0.450 65 K N -0.601 119.862 120.400 0.105 0.000 2.020 65 K HA -0.203 4.117 4.320 -0.000 0.000 0.212 65 K C 1.989 178.640 176.600 0.085 0.000 1.050 65 K CA 1.881 58.221 56.287 0.089 0.000 0.929 65 K CB -0.569 31.973 32.500 0.071 0.000 0.714 65 K HN 0.625 nan 8.250 nan 0.000 0.443 66 E N 0.346 120.598 120.200 0.086 0.000 2.110 66 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 66 E C 2.021 178.656 176.600 0.058 0.000 0.988 66 E CA 1.107 57.545 56.400 0.063 0.000 0.804 66 E CB -0.428 29.309 29.700 0.063 0.000 0.745 66 E HN 0.356 nan 8.360 nan 0.000 0.458 67 Y N 0.443 120.744 120.300 0.001 0.000 2.097 67 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 67 Y C 2.146 178.043 175.900 -0.005 0.000 1.152 67 Y CA 2.361 60.454 58.100 -0.012 0.000 1.136 67 Y CB -0.875 37.572 38.460 -0.022 0.000 0.975 67 Y HN 0.096 nan 8.280 nan 0.000 0.498 68 A N 1.047 123.884 122.820 0.028 0.000 1.917 68 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 68 A C 2.450 179.967 177.584 -0.111 0.000 1.182 68 A CA 2.039 54.050 52.037 -0.043 0.000 0.633 68 A CB -0.957 18.098 19.000 0.090 0.000 0.819 68 A HN 0.592 nan 8.150 nan 0.000 0.448 69 R N -0.125 120.339 120.500 -0.061 0.000 2.096 69 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 69 R C 2.276 178.523 176.300 -0.089 0.000 1.127 69 R CA 1.943 58.012 56.100 -0.052 0.000 0.968 69 R CB -0.368 29.920 30.300 -0.019 0.000 0.861 69 R HN 0.773 nan 8.270 nan 0.000 0.440 70 M N -0.949 118.570 119.600 -0.135 0.000 2.349 70 M HA 0.043 4.523 4.480 -0.000 0.000 0.266 70 M C 1.143 177.335 176.300 -0.179 0.000 1.076 70 M CA 1.266 56.484 55.300 -0.137 0.000 1.126 70 M CB -0.071 32.454 32.600 -0.124 0.000 1.392 70 M HN -0.132 nan 8.290 nan 0.000 0.440 71 E N 1.607 121.633 120.200 -0.289 0.000 2.158 71 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 71 E C 2.352 178.881 176.600 -0.118 0.000 0.982 71 E CA 1.422 57.670 56.400 -0.254 0.000 0.823 71 E CB -0.289 29.157 29.700 -0.424 0.000 0.766 71 E HN 0.645 nan 8.360 nan 0.000 0.468 72 A N 0.981 123.745 122.820 -0.094 0.000 1.930 72 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 72 A C 2.566 180.141 177.584 -0.016 0.000 1.175 72 A CA 1.101 53.122 52.037 -0.027 0.000 0.627 72 A CB -0.561 18.428 19.000 -0.018 0.000 0.815 72 A HN 0.121 nan 8.150 nan 0.000 0.443 73 V N 0.307 120.199 119.914 -0.036 0.000 2.343 73 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 73 V C 2.439 178.515 176.094 -0.030 0.000 1.051 73 V CA 2.403 64.686 62.300 -0.027 0.000 1.036 73 V CB -0.659 31.143 31.823 -0.034 0.000 0.654 73 V HN 0.563 nan 8.190 nan 0.000 0.451 74 K N -0.311 120.060 120.400 -0.048 0.000 2.097 74 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 74 K C 1.882 178.443 176.600 -0.064 0.000 1.049 74 K CA 1.671 57.923 56.287 -0.058 0.000 0.933 74 K CB -0.302 32.157 32.500 -0.068 0.000 0.717 74 K HN 0.435 nan 8.250 nan 0.000 0.442 75 D N 0.988 121.374 120.400 -0.024 0.000 2.117 75 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 75 D C 1.737 178.083 176.300 0.076 0.000 0.987 75 D CA 1.018 55.034 54.000 0.027 0.000 0.829 75 D CB -0.077 40.839 40.800 0.193 0.000 0.961 75 D HN 0.246 nan 8.370 nan 0.000 0.460 76 E N 0.551 120.791 120.200 0.067 0.000 2.049 76 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 76 E C 2.243 178.861 176.600 0.030 0.000 1.007 76 E CA 0.979 57.418 56.400 0.066 0.000 0.809 76 E CB 0.001 29.720 29.700 0.032 0.000 0.749 76 E HN 0.279 nan 8.360 nan 0.000 0.450 77 R N 0.700 121.190 120.500 -0.017 0.000 2.088 77 R HA -0.208 4.132 4.340 -0.000 0.000 0.232 77 R C 2.552 178.806 176.300 -0.078 0.000 1.136 77 R CA 1.585 57.662 56.100 -0.039 0.000 0.926 77 R CB -0.749 29.520 30.300 -0.051 0.000 0.837 77 R HN 0.309 nan 8.270 nan 0.000 0.429 78 Q N 0.405 120.108 119.800 -0.162 0.000 1.998 78 Q HA -0.220 4.120 4.340 -0.000 0.000 0.209 78 Q C 2.067 177.871 176.000 -0.327 0.000 1.002 78 Q CA 2.116 57.736 55.803 -0.305 0.000 0.858 78 Q CB -0.227 28.208 28.738 -0.506 0.000 0.932 78 Q HN 0.317 nan 8.270 nan 0.000 0.416 79 F N -0.328 119.556 119.950 -0.111 0.000 2.234 79 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 79 F C 2.282 178.056 175.800 -0.042 0.000 1.087 79 F CA 0.639 58.567 58.000 -0.120 0.000 1.340 79 F CB -0.454 38.456 39.000 -0.150 0.000 1.031 79 F HN 0.299 nan 8.300 nan 0.000 0.500 80 G N -0.561 108.306 108.800 0.110 0.000 2.421 80 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 80 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 80 G C 1.823 176.754 174.900 0.051 0.000 1.171 80 G CA 1.092 46.238 45.100 0.076 0.000 0.775 80 G HN 0.310 nan 8.290 nan 0.000 0.543 81 S N 0.536 116.240 115.700 0.006 0.000 2.368 81 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 81 S C 2.332 176.930 174.600 -0.004 0.000 1.030 81 S CA 1.030 59.222 58.200 -0.013 0.000 0.999 81 S CB -0.262 62.907 63.200 -0.053 0.000 0.844 81 S HN 0.318 nan 8.310 nan 0.000 0.459 82 L N 1.151 122.370 121.223 -0.008 0.000 2.005 82 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 82 L C 2.666 179.662 176.870 0.211 0.000 1.072 82 L CA 1.255 56.102 54.840 0.010 0.000 0.744 82 L CB -0.627 41.447 42.059 0.025 0.000 0.895 82 L HN 0.328 nan 8.230 nan 0.000 0.433 83 Q N -0.659 119.282 119.800 0.234 0.000 2.230 83 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 83 Q C 1.053 177.147 176.000 0.158 0.000 0.963 83 Q CA 1.260 57.204 55.803 0.235 0.000 0.866 83 Q CB 0.098 28.956 28.738 0.200 0.000 0.931 83 Q HN 0.506 nan 8.270 nan 0.000 0.452 84 D N -0.428 120.042 120.400 0.116 0.000 2.838 84 D HA 0.148 4.788 4.640 -0.000 0.000 0.245 84 D C 1.568 177.910 176.300 0.069 0.000 1.424 84 D CA 0.809 54.858 54.000 0.082 0.000 1.214 84 D CB -0.222 40.614 40.800 0.060 0.000 0.937 84 D HN -0.016 nan 8.370 nan 0.000 0.232 85 A N 0.498 123.347 122.820 0.048 0.000 1.903 85 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 85 A C 2.460 180.070 177.584 0.043 0.000 1.191 85 A CA 1.609 53.668 52.037 0.036 0.000 0.638 85 A CB -1.273 17.738 19.000 0.019 0.000 0.823 85 A HN 0.451 nan 8.150 nan 0.000 0.451 86 L N -1.092 120.155 121.223 0.040 0.000 2.131 86 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 86 L C 2.714 179.653 176.870 0.114 0.000 1.092 86 L CA 1.691 56.555 54.840 0.040 0.000 0.759 86 L CB -0.724 41.312 42.059 -0.038 0.000 0.903 86 L HN 0.378 nan 8.230 nan 0.000 0.435 87 T N -1.165 113.484 114.554 0.158 0.000 2.857 87 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 87 T C 2.036 176.798 174.700 0.103 0.000 1.048 87 T CA 0.824 63.033 62.100 0.183 0.000 1.139 87 T CB -0.081 68.896 68.868 0.182 0.000 0.874 87 T HN 0.233 nan 8.240 nan 0.000 0.455 88 R N 0.591 121.139 120.500 0.079 0.000 2.120 88 R HA 0.058 4.398 4.340 -0.000 0.000 0.234 88 R C 1.919 178.249 176.300 0.050 0.000 1.123 88 R CA 1.014 57.147 56.100 0.055 0.000 0.975 88 R CB -0.269 30.058 30.300 0.044 0.000 0.866 88 R HN 0.364 nan 8.270 nan 0.000 0.446 89 L N 0.278 121.534 121.223 0.055 0.000 2.599 89 L HA 0.038 4.378 4.340 -0.000 0.000 0.230 89 L C 0.510 177.417 176.870 0.062 0.000 1.141 89 L CA 0.331 55.200 54.840 0.049 0.000 0.877 89 L CB -0.394 41.690 42.059 0.041 0.000 1.009 89 L HN 0.419 nan 8.230 nan 0.000 0.447 90 N N -0.438 118.308 118.700 0.078 0.000 2.740 90 N HA -0.241 4.499 4.740 -0.000 0.000 0.248 90 N C 1.009 176.586 175.510 0.113 0.000 1.062 90 N CA 0.178 53.281 53.050 0.088 0.000 0.704 90 N CB -0.140 38.386 38.487 0.064 0.000 0.968 90 N HN 0.426 nan 8.380 nan 0.000 0.547 91 A N -0.465 122.432 122.820 0.128 0.000 2.121 91 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 91 A C 2.164 179.867 177.584 0.198 0.000 1.154 91 A CA 1.652 53.767 52.037 0.130 0.000 0.679 91 A CB -0.384 18.659 19.000 0.073 0.000 0.795 91 A HN 0.609 nan 8.150 nan 0.000 0.458 92 G N -1.142 107.808 108.800 0.250 0.000 2.534 92 G HA2 0.072 4.032 3.960 -0.000 0.000 0.217 92 G HA3 0.072 4.032 3.960 -0.000 0.000 0.217 92 G C 1.228 176.308 174.900 0.300 0.000 1.128 92 G CA 1.265 46.532 45.100 0.280 0.000 0.784 92 G HN 0.326 nan 8.290 nan 0.000 0.542 93 V N -0.034 120.006 119.914 0.209 0.000 2.627 93 V HA 0.111 4.231 4.120 -0.000 0.000 0.239 93 V C 1.756 177.949 176.094 0.165 0.000 1.077 93 V CA 0.232 62.635 62.300 0.173 0.000 1.103 93 V CB -0.177 31.710 31.823 0.106 0.000 0.802 93 V HN 0.166 nan 8.190 nan 0.000 0.482 94 R N 0.830 121.415 120.500 0.143 0.000 4.825 94 R HA 0.156 4.496 4.340 -0.000 0.000 0.189 94 R C -0.711 175.681 176.300 0.153 0.000 2.283 94 R CA 0.007 56.181 56.100 0.122 0.000 1.847 94 R CB -0.587 29.769 30.300 0.093 0.000 1.229 94 R HN 0.256 nan 8.270 nan 0.000 0.742 95 V N 0.153 120.182 119.914 0.191 0.000 2.769 95 V HA 0.096 4.216 4.120 -0.000 0.000 0.312 95 V C 0.312 176.533 176.094 0.212 0.000 1.061 95 V CA -1.087 61.357 62.300 0.241 0.000 0.931 95 V CB 2.012 34.041 31.823 0.344 0.000 1.010 95 V HN 0.419 nan 8.190 nan 0.000 0.433 96 H N 5.241 124.418 119.070 0.178 0.000 2.964 96 H HA 0.090 4.646 4.556 -0.000 0.000 0.328 96 H C -1.830 173.585 175.328 0.146 0.000 1.030 96 H CA -1.028 55.104 56.048 0.140 0.000 1.445 96 H CB 1.928 31.755 29.762 0.108 0.000 1.449 96 H HN 0.352 nan 8.280 nan 0.000 0.581 97 P HA -0.195 nan 4.420 nan 0.000 0.216 97 P C 1.223 178.624 177.300 0.169 0.000 1.154 97 P CA 1.997 65.109 63.100 0.020 0.000 0.865 97 P CB 0.269 31.919 31.700 -0.085 0.000 0.789 98 K N -1.816 118.820 120.400 0.395 0.000 2.103 98 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 98 K C 2.161 178.880 176.600 0.198 0.000 1.048 98 K CA 1.309 57.754 56.287 0.262 0.000 0.930 98 K CB -0.578 32.059 32.500 0.228 0.000 0.716 98 K HN 0.310 nan 8.250 nan 0.000 0.444 99 W N 2.373 123.721 121.300 0.081 0.000 2.418 99 W HA -0.129 4.531 4.660 -0.000 0.000 0.292 99 W C 1.714 178.180 176.519 -0.088 0.000 1.213 99 W CA 0.918 58.265 57.345 0.003 0.000 1.283 99 W CB -0.168 29.325 29.460 0.055 0.000 1.119 99 W HN 0.181 nan 8.180 nan 0.000 0.542 100 N N 0.935 119.621 118.700 -0.023 0.000 2.149 100 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 100 N C 1.291 176.646 175.510 -0.258 0.000 1.019 100 N CA 1.604 54.537 53.050 -0.195 0.000 0.857 100 N CB -0.179 38.295 38.487 -0.021 0.000 0.997 100 N HN 0.141 nan 8.380 nan 0.000 0.426 101 E N 0.151 120.222 120.200 -0.214 0.000 2.046 101 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 101 E C 1.991 178.327 176.600 -0.441 0.000 0.982 101 E CA 0.966 57.207 56.400 -0.266 0.000 0.800 101 E CB -0.894 28.736 29.700 -0.117 0.000 0.756 101 E HN 0.386 nan 8.360 nan 0.000 0.449 102 T N 1.859 116.115 114.554 -0.496 0.000 2.699 102 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 102 T C 1.700 175.959 174.700 -0.734 0.000 1.036 102 T CA 1.267 62.961 62.100 -0.677 0.000 1.147 102 T CB -0.096 68.292 68.868 -0.799 0.000 0.862 102 T HN 0.035 nan 8.240 nan 0.000 0.446 103 M N 0.913 120.050 119.600 -0.773 0.000 2.549 103 M HA 0.050 4.530 4.480 -0.000 0.000 0.260 103 M C 1.879 178.072 176.300 -0.178 0.000 1.076 103 M CA 1.041 56.049 55.300 -0.486 0.000 1.090 103 M CB -0.845 31.462 32.600 -0.488 0.000 1.418 103 M HN 0.280 nan 8.290 nan 0.000 0.486 104 K N -0.620 119.576 120.400 -0.341 0.000 2.103 104 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 104 K C 2.002 178.570 176.600 -0.052 0.000 1.052 104 K CA 0.973 57.117 56.287 -0.238 0.000 0.945 104 K CB 0.037 32.274 32.500 -0.438 0.000 0.722 104 K HN 0.156 nan 8.250 nan 0.000 0.443 105 V N 0.515 120.178 119.914 -0.417 0.000 2.379 105 V HA -0.155 3.965 4.120 -0.000 0.000 0.243 105 V C 2.193 178.078 176.094 -0.349 0.000 1.035 105 V CA 1.109 63.043 62.300 -0.610 0.000 1.035 105 V CB -0.148 31.003 31.823 -1.120 0.000 0.673 105 V HN 0.024 nan 8.190 nan 0.000 0.457 106 V N -0.284 119.473 119.914 -0.262 0.000 2.287 106 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 106 V C 2.657 178.899 176.094 0.246 0.000 1.053 106 V CA 2.568 64.856 62.300 -0.021 0.000 1.027 106 V CB -0.627 31.150 31.823 -0.076 0.000 0.646 106 V HN 0.563 nan 8.190 nan 0.000 0.447 107 S N -0.207 115.646 115.700 0.255 0.000 2.371 107 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 107 S C 1.917 176.765 174.600 0.413 0.000 1.029 107 S CA 1.733 60.186 58.200 0.421 0.000 0.978 107 S CB -0.418 63.026 63.200 0.406 0.000 0.833 107 S HN 0.696 nan 8.310 nan 0.000 0.466 108 N N -0.148 118.784 118.700 0.387 0.000 2.216 108 N HA 0.021 4.761 4.740 -0.000 0.000 0.183 108 N C 1.313 177.155 175.510 0.554 0.000 1.017 108 N CA 1.221 54.513 53.050 0.403 0.000 0.861 108 N CB -0.338 38.348 38.487 0.333 0.000 0.986 108 N HN 0.289 nan 8.380 nan 0.000 0.428 109 F N 0.432 120.577 119.950 0.325 0.000 2.234 109 F HA 0.088 4.615 4.527 -0.000 0.000 0.299 109 F C 1.900 177.949 175.800 0.414 0.000 1.087 109 F CA 0.462 58.712 58.000 0.417 0.000 1.340 109 F CB -0.598 38.614 39.000 0.354 0.000 1.031 109 F HN 0.085 nan 8.300 nan 0.000 0.500 110 L N -0.251 121.316 121.223 0.573 0.000 2.156 110 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 110 L C 2.456 179.587 176.870 0.435 0.000 1.095 110 L CA 1.102 56.249 54.840 0.512 0.000 0.770 110 L CB -0.464 41.838 42.059 0.404 0.000 0.914 110 L HN 0.117 nan 8.230 nan 0.000 0.439 111 E N -0.602 119.839 120.200 0.402 0.000 2.097 111 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 111 E C 2.189 179.000 176.600 0.351 0.000 1.000 111 E CA 1.688 58.294 56.400 0.342 0.000 0.804 111 E CB -0.023 29.862 29.700 0.309 0.000 0.740 111 E HN 0.303 nan 8.360 nan 0.000 0.454 112 V N 0.151 120.294 119.914 0.382 0.000 2.809 112 V HA -0.030 4.090 4.120 -0.000 0.000 0.256 112 V C 1.964 178.265 176.094 0.344 0.000 1.080 112 V CA 1.793 64.315 62.300 0.370 0.000 1.102 112 V CB -0.143 31.913 31.823 0.387 0.000 0.705 112 V HN 0.478 nan 8.190 nan 0.000 0.475 113 G N -0.718 108.315 108.800 0.388 0.000 2.394 113 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.214 113 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.214 113 G C 1.402 176.432 174.900 0.218 0.000 1.176 113 G CA 0.647 45.914 45.100 0.278 0.000 0.786 113 G HN 0.517 nan 8.290 nan 0.000 0.533 114 E N 0.044 120.381 120.200 0.229 0.000 2.051 114 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 114 E C 2.051 178.736 176.600 0.141 0.000 0.991 114 E CA 0.915 57.422 56.400 0.178 0.000 0.799 114 E CB -0.478 29.363 29.700 0.234 0.000 0.748 114 E HN 0.588 nan 8.360 nan 0.000 0.449 115 Y N 2.141 122.503 120.300 0.103 0.000 2.114 115 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 115 Y C 1.992 177.928 175.900 0.060 0.000 1.143 115 Y CA 2.037 60.177 58.100 0.066 0.000 1.135 115 Y CB -0.238 38.276 38.460 0.089 0.000 0.980 115 Y HN 0.013 nan 8.280 nan 0.000 0.499 116 N N 0.035 118.828 118.700 0.154 0.000 2.381 116 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 116 N C 1.623 177.154 175.510 0.036 0.000 1.025 116 N CA 1.001 54.109 53.050 0.097 0.000 0.888 116 N CB -0.353 38.263 38.487 0.214 0.000 0.965 116 N HN 0.491 nan 8.380 nan 0.000 0.438 117 A N 0.131 122.955 122.820 0.008 0.000 2.066 117 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 117 A C 1.978 179.416 177.584 -0.244 0.000 1.157 117 A CA 0.608 52.512 52.037 -0.222 0.000 0.670 117 A CB -0.461 18.373 19.000 -0.277 0.000 0.804 117 A HN 0.224 nan 8.150 nan 0.000 0.453 118 I N -0.293 120.131 120.570 -0.243 0.000 2.133 118 I HA -0.249 3.921 4.170 -0.000 0.000 0.238 118 I C 2.980 178.960 176.117 -0.229 0.000 1.074 118 I CA 1.184 62.328 61.300 -0.261 0.000 1.342 118 I CB -0.521 37.258 38.000 -0.368 0.000 1.053 118 I HN 0.318 nan 8.210 nan 0.000 0.404 119 A N 0.849 123.514 122.820 -0.259 0.000 1.933 119 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 119 A C 2.543 179.999 177.584 -0.212 0.000 1.175 119 A CA 1.884 53.798 52.037 -0.206 0.000 0.628 119 A CB -0.856 18.039 19.000 -0.175 0.000 0.814 119 A HN 0.456 nan 8.150 nan 0.000 0.444 120 A N -0.156 122.539 122.820 -0.210 0.000 1.883 120 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 120 A C 2.385 179.782 177.584 -0.311 0.000 1.186 120 A CA 2.574 54.460 52.037 -0.252 0.000 0.624 120 A CB -1.439 17.398 19.000 -0.272 0.000 0.822 120 A HN 0.812 nan 8.150 nan 0.000 0.444 121 T N -3.170 111.212 114.554 -0.287 0.000 3.118 121 T HA 0.191 4.541 4.350 -0.000 0.000 0.260 121 T C 1.596 176.236 174.700 -0.101 0.000 1.139 121 T CA 1.144 63.080 62.100 -0.275 0.000 1.085 121 T CB -0.135 68.600 68.868 -0.223 0.000 0.934 121 T HN 0.390 nan 8.240 nan 0.000 0.518 122 G N 0.868 109.615 108.800 -0.088 0.000 2.453 122 G HA2 0.065 4.025 3.960 -0.000 0.000 0.215 122 G HA3 0.065 4.025 3.960 -0.000 0.000 0.215 122 G C 1.422 176.183 174.900 -0.232 0.000 1.147 122 G CA 0.338 45.428 45.100 -0.017 0.000 0.802 122 G HN 0.486 nan 8.290 nan 0.000 0.535 123 M N -0.061 119.353 119.600 -0.311 0.000 2.254 123 M HA 0.201 4.681 4.480 -0.000 0.000 0.265 123 M C 2.189 178.288 176.300 -0.336 0.000 1.066 123 M CA 1.008 56.033 55.300 -0.457 0.000 1.123 123 M CB -0.038 32.198 32.600 -0.607 0.000 1.388 123 M HN 0.172 nan 8.290 nan 0.000 0.425 124 L N -0.952 120.047 121.223 -0.373 0.000 2.179 124 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 124 L C 2.263 179.064 176.870 -0.115 0.000 1.096 124 L CA 0.709 55.229 54.840 -0.532 0.000 0.779 124 L CB -0.762 40.495 42.059 -1.338 0.000 0.922 124 L HN 0.590 nan 8.230 nan 0.000 0.443 125 W N 1.409 122.644 121.300 -0.108 0.000 2.425 125 W HA -0.190 4.470 4.660 -0.000 0.000 0.277 125 W C 1.987 178.560 176.519 0.091 0.000 1.231 125 W CA 1.284 58.714 57.345 0.142 0.000 1.248 125 W CB -0.498 29.005 29.460 0.070 0.000 1.117 125 W HN 0.200 nan 8.180 nan 0.000 0.568 126 D N -0.340 120.040 120.400 -0.034 0.000 2.137 126 D HA -0.147 4.493 4.640 -0.000 0.000 0.202 126 D C 1.798 178.138 176.300 0.067 0.000 0.970 126 D CA 1.739 55.692 54.000 -0.078 0.000 0.837 126 D CB -0.027 40.739 40.800 -0.057 0.000 0.981 126 D HN 0.148 nan 8.370 nan 0.000 0.475 127 S N 0.585 116.334 115.700 0.081 0.000 2.368 127 S HA 0.020 4.490 4.470 -0.000 0.000 0.225 127 S C 1.231 175.912 174.600 0.134 0.000 1.030 127 S CA 0.663 58.921 58.200 0.096 0.000 0.999 127 S CB -0.246 62.983 63.200 0.049 0.000 0.844 127 S HN 0.496 nan 8.310 nan 0.000 0.459 128 A N 1.381 124.337 122.820 0.227 0.000 2.498 128 A HA 0.228 4.548 4.320 -0.000 0.000 0.239 128 A C 1.017 178.677 177.584 0.128 0.000 1.068 128 A CA -0.086 52.078 52.037 0.213 0.000 0.766 128 A CB 0.244 19.415 19.000 0.284 0.000 1.003 128 A HN 0.225 nan 8.150 nan 0.000 0.497 129 Q N 0.483 120.325 119.800 0.070 0.000 2.431 129 Q HA 0.217 4.557 4.340 -0.000 0.000 0.244 129 Q C 0.918 176.929 176.000 0.018 0.000 0.880 129 Q CA 0.969 56.786 55.803 0.024 0.000 0.954 129 Q CB -0.200 28.534 28.738 -0.007 0.000 1.105 129 Q HN 0.877 nan 8.270 nan 0.000 0.558 130 A N 0.969 123.799 122.820 0.017 0.000 2.450 130 A HA 0.458 4.778 4.320 -0.000 0.000 0.255 130 A C 1.279 178.864 177.584 0.002 0.000 1.096 130 A CA 0.660 52.699 52.037 0.003 0.000 0.778 130 A CB 0.424 19.416 19.000 -0.013 0.000 1.031 130 A HN 0.280 nan 8.150 nan 0.000 0.494 131 A N 1.909 124.731 122.820 0.003 0.000 1.978 131 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 131 A C 1.765 179.304 177.584 -0.075 0.000 1.170 131 A CA 1.943 53.975 52.037 -0.007 0.000 0.636 131 A CB -0.435 18.570 19.000 0.007 0.000 0.810 131 A HN 0.915 nan 8.150 nan 0.000 0.448 132 E N -1.170 118.972 120.200 -0.095 0.000 2.208 132 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 132 E C 2.182 178.727 176.600 -0.092 0.000 0.988 132 E CA 1.019 57.361 56.400 -0.097 0.000 0.828 132 E CB -0.059 29.596 29.700 -0.074 0.000 0.763 132 E HN 0.819 nan 8.360 nan 0.000 0.478 133 Q N 0.894 120.627 119.800 -0.112 0.000 2.187 133 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 133 Q C 1.763 177.605 176.000 -0.263 0.000 0.957 133 Q CA 0.849 56.516 55.803 -0.227 0.000 0.857 133 Q CB 0.266 28.895 28.738 -0.183 0.000 0.929 133 Q HN 0.054 nan 8.270 nan 0.000 0.453 134 K N 0.348 120.710 120.400 -0.063 0.000 2.026 134 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 134 K C 1.872 178.398 176.600 -0.123 0.000 1.048 134 K CA 1.450 57.772 56.287 0.058 0.000 0.929 134 K CB -0.135 32.440 32.500 0.125 0.000 0.713 134 K HN 0.125 nan 8.250 nan 0.000 0.439 135 N N 0.379 118.983 118.700 -0.160 0.000 2.223 135 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 135 N C 1.723 177.139 175.510 -0.155 0.000 1.016 135 N CA 1.358 54.294 53.050 -0.190 0.000 0.863 135 N CB -0.250 38.165 38.487 -0.119 0.000 0.983 135 N HN 0.239 nan 8.380 nan 0.000 0.429 136 G N -0.985 107.727 108.800 -0.148 0.000 2.421 136 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 136 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 136 G C 1.318 176.159 174.900 -0.098 0.000 1.171 136 G CA 0.692 45.711 45.100 -0.134 0.000 0.775 136 G HN 0.446 nan 8.290 nan 0.000 0.543 137 Y N -0.296 119.960 120.300 -0.074 0.000 2.224 137 Y HA -0.078 4.472 4.550 -0.000 0.000 0.289 137 Y C 2.660 178.463 175.900 -0.162 0.000 1.146 137 Y CA 0.415 58.465 58.100 -0.084 0.000 1.182 137 Y CB -0.126 38.345 38.460 0.018 0.000 0.983 137 Y HN 0.217 nan 8.280 nan 0.000 0.524 138 L N 0.570 121.720 121.223 -0.122 0.000 2.079 138 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 138 L C 2.368 179.025 176.870 -0.356 0.000 1.081 138 L CA 1.889 56.499 54.840 -0.383 0.000 0.752 138 L CB -0.847 40.801 42.059 -0.686 0.000 0.896 138 L HN 0.128 nan 8.230 nan 0.000 0.433 139 A N -1.166 121.471 122.820 -0.306 0.000 1.933 139 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 139 A C 2.330 179.750 177.584 -0.274 0.000 1.175 139 A CA 1.802 53.616 52.037 -0.372 0.000 0.628 139 A CB -0.604 18.290 19.000 -0.176 0.000 0.814 139 A HN 0.667 nan 8.150 nan 0.000 0.444 140 Q N -0.390 119.275 119.800 -0.224 0.000 2.137 140 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 140 Q C 1.869 177.682 176.000 -0.313 0.000 0.960 140 Q CA 1.350 56.924 55.803 -0.382 0.000 0.847 140 Q CB -0.129 28.295 28.738 -0.522 0.000 0.915 140 Q HN 0.405 nan 8.270 nan 0.000 0.448 141 V N 1.072 120.857 119.914 -0.215 0.000 2.380 141 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 141 V C 2.179 178.176 176.094 -0.162 0.000 1.063 141 V CA 1.241 63.454 62.300 -0.144 0.000 1.055 141 V CB -0.437 31.375 31.823 -0.017 0.000 0.657 141 V HN 0.458 nan 8.190 nan 0.000 0.455 142 L N -0.626 120.468 121.223 -0.216 0.000 2.341 142 L HA 0.003 4.343 4.340 -0.000 0.000 0.214 142 L C 2.057 178.893 176.870 -0.057 0.000 1.115 142 L CA 1.428 56.176 54.840 -0.154 0.000 0.820 142 L CB -1.045 40.825 42.059 -0.316 0.000 0.944 142 L HN 0.370 nan 8.230 nan 0.000 0.452 143 D N -0.129 120.201 120.400 -0.117 0.000 2.162 143 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 143 D C 1.990 178.003 176.300 -0.479 0.000 0.967 143 D CA 0.721 54.599 54.000 -0.203 0.000 0.840 143 D CB 0.369 41.137 40.800 -0.053 0.000 0.972 143 D HN 0.196 nan 8.370 nan 0.000 0.482 144 E N 0.423 120.433 120.200 -0.317 0.000 2.204 144 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 144 E C 2.370 178.891 176.600 -0.133 0.000 0.989 144 E CA 0.169 56.439 56.400 -0.217 0.000 0.824 144 E CB 0.046 29.624 29.700 -0.204 0.000 0.756 144 E HN 0.418 nan 8.360 nan 0.000 0.477 145 I N 0.661 121.145 120.570 -0.143 0.000 2.286 145 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 145 I C 2.755 178.797 176.117 -0.125 0.000 1.104 145 I CA 0.736 61.945 61.300 -0.151 0.000 1.397 145 I CB -0.198 37.745 38.000 -0.095 0.000 1.072 145 I HN 0.034 nan 8.210 nan 0.000 0.417 146 R N 0.676 121.162 120.500 -0.023 0.000 2.083 146 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 146 R C 2.256 178.685 176.300 0.215 0.000 1.137 146 R CA 1.921 58.087 56.100 0.111 0.000 0.951 146 R CB -0.409 29.933 30.300 0.070 0.000 0.851 146 R HN 0.476 nan 8.270 nan 0.000 0.434 147 H N -1.163 117.957 119.070 0.083 0.000 2.389 147 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 147 H C 1.942 177.341 175.328 0.118 0.000 1.081 147 H CA 1.338 57.434 56.048 0.080 0.000 1.345 147 H CB 0.136 29.925 29.762 0.046 0.000 1.393 147 H HN 0.276 nan 8.280 nan 0.000 0.520 148 T N -0.239 114.438 114.554 0.206 0.000 2.720 148 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 148 T C 1.534 176.389 174.700 0.259 0.000 1.037 148 T CA 1.553 63.772 62.100 0.198 0.000 1.144 148 T CB -0.371 68.576 68.868 0.132 0.000 0.864 148 T HN 0.602 nan 8.240 nan 0.000 0.444 149 H N 0.270 119.490 119.070 0.249 0.000 2.462 149 H HA 0.044 4.600 4.556 -0.000 0.000 0.292 149 H C 2.661 178.170 175.328 0.300 0.000 1.049 149 H CA 0.716 56.913 56.048 0.247 0.000 1.334 149 H CB 0.173 30.062 29.762 0.211 0.000 1.404 149 H HN 0.391 nan 8.280 nan 0.000 0.544 150 Q N -0.221 119.819 119.800 0.399 0.000 2.020 150 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 150 Q C 2.533 178.772 176.000 0.398 0.000 0.974 150 Q CA 1.360 57.368 55.803 0.342 0.000 0.829 150 Q CB 0.030 28.904 28.738 0.226 0.000 0.894 150 Q HN 0.462 nan 8.270 nan 0.000 0.433 151 C N 0.317 119.837 119.300 0.366 0.000 2.413 151 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 151 C C 2.826 178.065 174.990 0.414 0.000 1.265 151 C CA 0.814 60.084 59.018 0.420 0.000 1.752 151 C CB -1.179 26.774 27.740 0.355 0.000 1.998 151 C HN 0.619 nan 8.230 nan 0.000 0.489 152 A N -1.076 121.974 122.820 0.383 0.000 1.933 152 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 152 A C 1.980 179.787 177.584 0.371 0.000 1.175 152 A CA 1.643 53.889 52.037 0.348 0.000 0.628 152 A CB -0.943 18.254 19.000 0.328 0.000 0.814 152 A HN 0.664 nan 8.150 nan 0.000 0.444 153 Y N 0.258 120.733 120.300 0.292 0.000 2.293 153 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 153 Y C 2.425 178.540 175.900 0.358 0.000 1.137 153 Y CA 1.640 59.918 58.100 0.297 0.000 1.202 153 Y CB -0.074 38.567 38.460 0.302 0.000 0.990 153 Y HN 0.100 nan 8.280 nan 0.000 0.537 154 V N 0.686 120.882 119.914 0.470 0.000 2.287 154 V HA -0.382 3.738 4.120 -0.000 0.000 0.248 154 V C 1.777 178.094 176.094 0.372 0.000 1.053 154 V CA 2.473 65.005 62.300 0.387 0.000 1.027 154 V CB -0.725 31.350 31.823 0.420 0.000 0.646 154 V HN 0.515 nan 8.190 nan 0.000 0.447 155 N N -1.113 117.814 118.700 0.379 0.000 2.244 155 N HA -0.208 4.532 4.740 -0.000 0.000 0.183 155 N C 1.951 177.583 175.510 0.202 0.000 1.016 155 N CA 1.443 54.694 53.050 0.337 0.000 0.866 155 N CB -0.234 38.489 38.487 0.394 0.000 0.980 155 N HN 0.623 nan 8.380 nan 0.000 0.430 156 Y N 0.849 121.173 120.300 0.040 0.000 2.200 156 Y HA -0.274 4.276 4.550 -0.000 0.000 0.290 156 Y C 2.339 178.130 175.900 -0.182 0.000 1.137 156 Y CA 1.346 59.385 58.100 -0.102 0.000 1.163 156 Y CB -0.470 37.845 38.460 -0.241 0.000 0.988 156 Y HN 0.048 nan 8.280 nan 0.000 0.518 157 Y N -0.512 119.722 120.300 -0.109 0.000 2.163 157 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 157 Y C 1.991 177.716 175.900 -0.292 0.000 1.136 157 Y CA 1.951 59.921 58.100 -0.218 0.000 1.147 157 Y CB -0.864 37.495 38.460 -0.168 0.000 0.987 157 Y HN 0.160 nan 8.280 nan 0.000 0.509 158 F N -0.529 119.398 119.950 -0.039 0.000 2.269 158 F HA -0.180 4.347 4.527 0.000 0.000 0.301 158 F C 2.452 178.075 175.800 -0.294 0.000 1.082 158 F CA 0.791 58.639 58.000 -0.254 0.000 1.360 158 F CB -0.423 38.136 39.000 -0.734 0.000 1.041 158 F HN 0.168 nan 8.300 nan 0.000 0.512 159 A N -0.149 122.607 122.820 -0.107 0.000 1.872 159 A HA -0.185 4.135 4.320 -0.000 0.000 0.214 159 A C 2.164 179.653 177.584 -0.159 0.000 1.187 159 A CA 1.553 53.555 52.037 -0.057 0.000 0.614 159 A CB -0.569 18.401 19.000 -0.049 0.000 0.826 159 A HN 0.297 nan 8.150 nan 0.000 0.442 160 K N -0.355 119.845 120.400 -0.332 0.000 2.097 160 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 160 K C 1.018 177.441 176.600 -0.295 0.000 1.050 160 K CA 1.669 57.735 56.287 -0.369 0.000 0.938 160 K CB -0.157 32.009 32.500 -0.555 0.000 0.718 160 K HN 0.675 nan 8.250 nan 0.000 0.442 161 N N -0.749 117.748 118.700 -0.338 0.000 2.181 161 N HA 0.081 4.821 4.740 -0.000 0.000 0.207 161 N C 0.374 175.851 175.510 -0.055 0.000 1.182 161 N CA -0.347 52.554 53.050 -0.247 0.000 0.893 161 N CB 1.170 39.387 38.487 -0.451 0.000 1.032 161 N HN 0.053 nan 8.380 nan 0.000 0.513 162 G N 1.205 110.027 108.800 0.036 0.000 2.563 162 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.283 162 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.283 162 G C 0.751 175.724 174.900 0.122 0.000 1.309 162 G CA -0.235 44.972 45.100 0.178 0.000 1.022 162 G HN 0.201 nan 8.290 nan 0.000 0.501 163 Q N -1.593 118.292 119.800 0.141 0.000 2.432 163 Q HA 0.088 4.428 4.340 -0.000 0.000 0.205 163 Q C -0.450 175.601 176.000 0.084 0.000 0.945 163 Q CA 0.879 56.738 55.803 0.094 0.000 0.924 163 Q CB 0.424 29.211 28.738 0.083 0.000 1.016 163 Q HN 0.347 nan 8.270 nan 0.000 0.503 164 D N -0.001 120.469 120.400 0.116 0.000 2.312 164 D HA 0.205 4.845 4.640 -0.000 0.000 0.229 164 D C -2.461 173.939 176.300 0.167 0.000 1.337 164 D CA -1.711 52.351 54.000 0.103 0.000 0.964 164 D CB 1.681 42.521 40.800 0.067 0.000 1.456 164 D HN -0.213 nan 8.370 nan 0.000 0.547 165 P HA 0.102 nan 4.420 nan 0.000 0.221 165 P C 0.190 177.581 177.300 0.153 0.000 1.150 165 P CA 0.312 63.508 63.100 0.160 0.000 0.800 165 P CB 0.154 31.894 31.700 0.065 0.000 0.787 166 A N -0.176 122.702 122.820 0.095 0.000 2.546 166 A HA 0.402 4.722 4.320 -0.000 0.000 0.243 166 A C 1.659 179.296 177.584 0.087 0.000 1.063 166 A CA 0.864 52.947 52.037 0.076 0.000 0.757 166 A CB -1.177 17.854 19.000 0.050 0.000 0.991 166 A HN 0.394 nan 8.150 nan 0.000 0.503 167 G N 1.708 110.583 108.800 0.126 0.000 2.729 167 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.216 167 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.216 167 G C 0.997 176.024 174.900 0.213 0.000 1.252 167 G CA 0.953 46.195 45.100 0.238 0.000 0.751 167 G HN 0.920 nan 8.290 nan 0.000 0.527 168 H N 1.720 120.895 119.070 0.174 0.000 2.389 168 H HA -0.031 4.524 4.556 -0.000 0.000 0.299 168 H C 2.539 177.934 175.328 0.111 0.000 1.081 168 H CA 1.711 57.853 56.048 0.157 0.000 1.345 168 H CB 0.113 29.963 29.762 0.147 0.000 1.393 168 H HN 0.595 nan 8.280 nan 0.000 0.520 169 N N 0.489 119.308 118.700 0.199 0.000 2.467 169 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 169 N C -0.209 175.329 175.510 0.048 0.000 1.106 169 N CA 1.226 54.334 53.050 0.097 0.000 0.892 169 N CB 0.295 38.814 38.487 0.053 0.000 0.969 169 N HN 0.533 nan 8.380 nan 0.000 0.454 170 D N -3.177 117.241 120.400 0.030 0.000 2.640 170 D HA 0.281 4.921 4.640 -0.000 0.000 0.282 170 D C 1.020 177.233 176.300 -0.145 0.000 1.558 170 D CA -0.011 53.961 54.000 -0.046 0.000 0.820 170 D CB -0.473 40.297 40.800 -0.049 0.000 1.243 170 D HN 0.100 nan 8.370 nan 0.000 0.456 171 A N 1.258 123.978 122.820 -0.167 0.000 1.986 171 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 171 A C 2.089 179.358 177.584 -0.526 0.000 1.171 171 A CA 1.364 53.102 52.037 -0.499 0.000 0.640 171 A CB -0.611 18.187 19.000 -0.336 0.000 0.811 171 A HN 0.221 nan 8.150 nan 0.000 0.451 172 R N -0.836 119.483 120.500 -0.302 0.000 2.249 172 R HA -0.177 4.163 4.340 -0.000 0.000 0.230 172 R C 2.207 178.316 176.300 -0.317 0.000 1.121 172 R CA 1.671 57.593 56.100 -0.296 0.000 0.997 172 R CB -0.202 30.005 30.300 -0.156 0.000 0.867 172 R HN 0.841 nan 8.270 nan 0.000 0.465 173 R N -1.149 119.175 120.500 -0.293 0.000 2.350 173 R HA 0.054 4.394 4.340 -0.000 0.000 0.199 173 R C 1.723 177.875 176.300 -0.246 0.000 0.876 173 R CA 0.847 56.810 56.100 -0.228 0.000 1.062 173 R CB -0.375 29.835 30.300 -0.150 0.000 1.263 173 R HN 0.047 nan 8.270 nan 0.000 0.641 174 T N 0.033 114.414 114.554 -0.287 0.000 3.072 174 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 174 T C 1.804 176.280 174.700 -0.372 0.000 1.127 174 T CA 0.705 62.663 62.100 -0.236 0.000 1.107 174 T CB -0.218 68.572 68.868 -0.129 0.000 0.910 174 T HN 0.451 nan 8.240 nan 0.000 0.513 175 R N 1.694 121.759 120.500 -0.724 0.000 2.235 175 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 175 R C 2.214 178.274 176.300 -0.400 0.000 1.059 175 R CA 1.461 57.106 56.100 -0.758 0.000 0.997 175 R CB -1.290 28.282 30.300 -1.213 0.000 0.884 175 R HN 0.536 nan 8.270 nan 0.000 0.462 176 T N -0.954 113.396 114.554 -0.340 0.000 3.035 176 T HA 0.046 4.396 4.350 -0.000 0.000 0.268 176 T C 1.884 176.640 174.700 0.094 0.000 1.109 176 T CA 0.607 62.675 62.100 -0.054 0.000 1.119 176 T CB -0.284 68.566 68.868 -0.030 0.000 0.900 176 T HN 0.249 nan 8.240 nan 0.000 0.503 177 I N 1.429 122.035 120.570 0.061 0.000 2.286 177 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 177 I C 1.934 178.150 176.117 0.164 0.000 1.104 177 I CA 0.572 61.932 61.300 0.099 0.000 1.397 177 I CB -0.756 37.247 38.000 0.005 0.000 1.072 177 I HN 0.372 nan 8.210 nan 0.000 0.417 178 G N 0.815 109.727 108.800 0.187 0.000 2.504 178 G HA2 0.266 4.226 3.960 -0.000 0.000 0.288 178 G HA3 0.266 4.226 3.960 -0.000 0.000 0.288 178 G C -1.761 173.257 174.900 0.197 0.000 1.182 178 G CA -0.792 44.426 45.100 0.197 0.000 0.894 178 G HN 0.039 nan 8.290 nan 0.000 0.521 179 P HA -0.016 nan 4.420 nan 0.000 0.227 179 P C 1.841 179.234 177.300 0.154 0.000 1.161 179 P CA 0.448 63.575 63.100 0.045 0.000 0.788 179 P CB 0.337 31.999 31.700 -0.064 0.000 0.822 180 L N -1.512 119.883 121.223 0.287 0.000 2.191 180 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 180 L C 2.744 179.913 176.870 0.498 0.000 1.103 180 L CA 1.351 56.438 54.840 0.411 0.000 0.769 180 L CB -0.982 41.350 42.059 0.455 0.000 0.908 180 L HN 0.115 nan 8.230 nan 0.000 0.438 181 W N 1.711 123.148 121.300 0.228 0.000 2.358 181 W HA -0.203 4.457 4.660 -0.000 0.000 0.303 181 W C 2.175 178.539 176.519 -0.258 0.000 1.208 181 W CA 0.931 58.194 57.345 -0.136 0.000 1.274 181 W CB 0.094 29.524 29.460 -0.050 0.000 1.138 181 W HN 0.052 nan 8.180 nan 0.000 0.515 182 K N 0.405 120.646 120.400 -0.264 0.000 2.009 182 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 182 K C 2.258 178.556 176.600 -0.504 0.000 1.049 182 K CA 1.801 57.837 56.287 -0.419 0.000 0.929 182 K CB -1.487 30.890 32.500 -0.205 0.000 0.714 182 K HN 0.328 nan 8.250 nan 0.000 0.440 183 G N 1.227 109.809 108.800 -0.364 0.000 2.450 183 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 183 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 183 G C 1.577 175.665 174.900 -1.354 0.000 1.130 183 G CA 1.008 45.773 45.100 -0.558 0.000 0.760 183 G HN 0.211 nan 8.290 nan 0.000 0.557 184 M N 0.646 119.460 119.600 -1.310 0.000 2.175 184 M HA 0.132 4.612 4.480 -0.000 0.000 0.264 184 M C 2.271 177.949 176.300 -1.037 0.000 1.063 184 M CA 1.394 55.907 55.300 -1.311 0.000 1.119 184 M CB -0.249 31.760 32.600 -0.985 0.000 1.377 184 M HN 0.088 nan 8.290 nan 0.000 0.415 185 K N -0.919 118.829 120.400 -1.086 0.000 2.283 185 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 185 K C 2.164 178.432 176.600 -0.554 0.000 1.048 185 K CA 0.502 56.285 56.287 -0.840 0.000 0.948 185 K CB -0.145 31.830 32.500 -0.874 0.000 0.742 185 K HN 0.242 nan 8.250 nan 0.000 0.458 186 R N 1.332 121.501 120.500 -0.551 0.000 2.057 186 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 186 R C 2.195 178.292 176.300 -0.339 0.000 1.136 186 R CA 1.696 57.581 56.100 -0.357 0.000 0.952 186 R CB -0.493 29.632 30.300 -0.291 0.000 0.848 186 R HN 0.182 nan 8.270 nan 0.000 0.430 187 V N -2.238 117.392 119.914 -0.474 0.000 2.719 187 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 187 V C 1.524 177.428 176.094 -0.317 0.000 1.065 187 V CA 1.221 63.322 62.300 -0.331 0.000 1.086 187 V CB -0.508 31.032 31.823 -0.471 0.000 0.700 187 V HN 0.028 nan 8.190 nan 0.000 0.467 188 F N -0.259 119.180 119.950 -0.851 0.000 2.688 188 F HA 0.547 5.074 4.527 -0.000 0.000 0.310 188 F C 1.859 177.088 175.800 -0.951 0.000 1.098 188 F CA -0.112 57.143 58.000 -1.242 0.000 1.228 188 F CB 0.524 39.259 39.000 -0.443 0.000 1.042 188 F HN 0.140 nan 8.300 nan 0.000 0.557 189 S N -0.735 114.674 115.700 -0.485 0.000 3.414 189 S HA 0.031 4.501 4.470 -0.000 0.000 0.193 189 S C 1.415 175.934 174.600 -0.134 0.000 0.825 189 S CA 0.138 58.204 58.200 -0.223 0.000 0.837 189 S CB 0.118 63.181 63.200 -0.229 0.000 0.940 189 S HN 0.092 nan 8.310 nan 0.000 0.639 190 D N 1.673 121.976 120.400 -0.162 0.000 2.149 190 D HA 0.005 4.645 4.640 -0.000 0.000 0.201 190 D C 1.858 178.138 176.300 -0.034 0.000 0.972 190 D CA 1.139 55.086 54.000 -0.089 0.000 0.835 190 D CB -0.669 40.066 40.800 -0.109 0.000 0.966 190 D HN 0.484 nan 8.370 nan 0.000 0.476 191 G N -0.335 108.429 108.800 -0.060 0.000 2.498 191 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 191 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 191 G C 1.373 176.427 174.900 0.258 0.000 1.119 191 G CA 0.021 45.158 45.100 0.062 0.000 0.766 191 G HN 0.281 nan 8.290 nan 0.000 0.552 192 F N -0.097 119.838 119.950 -0.025 0.000 2.530 192 F HA 0.221 4.748 4.527 -0.000 0.000 0.292 192 F C 2.260 177.996 175.800 -0.107 0.000 1.109 192 F CA 0.295 58.254 58.000 -0.068 0.000 1.450 192 F CB 0.309 39.251 39.000 -0.097 0.000 1.114 192 F HN 0.199 nan 8.300 nan 0.000 0.560 193 I N -4.713 115.911 120.570 0.090 0.000 4.403 193 I HA 0.268 4.438 4.170 -0.000 0.000 0.331 193 I C -0.029 176.052 176.117 -0.060 0.000 1.327 193 I CA 0.058 61.335 61.300 -0.037 0.000 1.175 193 I CB 0.386 38.355 38.000 -0.053 0.000 1.165 193 I HN -0.266 nan 8.210 nan 0.000 0.413 194 S N 2.255 117.938 115.700 -0.028 0.000 2.420 194 S HA 0.794 5.264 4.470 -0.000 0.000 0.313 194 S C 0.199 174.781 174.600 -0.030 0.000 1.079 194 S CA 0.143 58.318 58.200 -0.042 0.000 1.104 194 S CB 1.003 64.168 63.200 -0.059 0.000 0.969 194 S HN 0.813 nan 8.310 nan 0.000 0.471 195 G N 2.638 111.421 108.800 -0.029 0.000 2.315 195 G HA2 0.031 3.991 3.960 -0.000 0.000 0.296 195 G HA3 0.031 3.991 3.960 -0.000 0.000 0.296 195 G C -1.530 173.372 174.900 0.003 0.000 1.289 195 G CA -1.031 44.064 45.100 -0.009 0.000 0.996 195 G HN 0.540 nan 8.290 nan 0.000 0.487 196 D N 0.842 121.260 120.400 0.030 0.000 2.455 196 D HA 0.469 5.109 4.640 -0.000 0.000 0.241 196 D C 1.723 178.039 176.300 0.026 0.000 1.138 196 D CA 0.917 54.950 54.000 0.056 0.000 0.877 196 D CB 1.320 42.189 40.800 0.115 0.000 1.187 196 D HN 1.046 nan 8.370 nan 0.000 0.451 197 A N 3.697 126.519 122.820 0.002 0.000 1.927 197 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 197 A C 2.367 179.903 177.584 -0.079 0.000 1.185 197 A CA 1.909 53.901 52.037 -0.076 0.000 0.639 197 A CB -0.671 18.287 19.000 -0.071 0.000 0.820 197 A HN 0.539 nan 8.150 nan 0.000 0.451 198 V N -0.078 119.804 119.914 -0.054 0.000 2.427 198 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 198 V C 2.504 178.552 176.094 -0.077 0.000 1.051 198 V CA 2.172 64.374 62.300 -0.163 0.000 1.048 198 V CB -0.648 30.861 31.823 -0.524 0.000 0.666 198 V HN 0.799 nan 8.190 nan 0.000 0.456 199 E N -0.496 119.718 120.200 0.024 0.000 2.072 199 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 199 E C 2.238 178.885 176.600 0.077 0.000 0.985 199 E CA 1.912 58.363 56.400 0.086 0.000 0.801 199 E CB -0.140 29.631 29.700 0.118 0.000 0.750 199 E HN 0.660 nan 8.360 nan 0.000 0.452 200 C N 0.180 119.499 119.300 0.031 0.000 2.440 200 C HA -0.054 4.406 4.460 -0.000 0.000 0.278 200 C C 3.068 178.043 174.990 -0.024 0.000 1.295 200 C CA 1.013 60.046 59.018 0.024 0.000 1.738 200 C CB -1.010 26.703 27.740 -0.044 0.000 1.987 200 C HN 0.515 nan 8.230 nan 0.000 0.492 201 S N 0.460 116.117 115.700 -0.072 0.000 2.382 201 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 201 S C 1.715 176.317 174.600 0.003 0.000 1.027 201 S CA 1.322 59.467 58.200 -0.090 0.000 0.991 201 S CB -0.258 62.885 63.200 -0.096 0.000 0.823 201 S HN 0.624 nan 8.310 nan 0.000 0.469 202 L N 1.299 122.559 121.223 0.061 0.000 2.109 202 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 202 L C 2.629 179.625 176.870 0.210 0.000 1.086 202 L CA 0.932 55.865 54.840 0.156 0.000 0.760 202 L CB -0.644 41.519 42.059 0.173 0.000 0.910 202 L HN 0.310 nan 8.230 nan 0.000 0.437 203 N N 0.225 119.047 118.700 0.203 0.000 2.106 203 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 203 N C 1.800 177.503 175.510 0.321 0.000 1.029 203 N CA 1.347 54.581 53.050 0.307 0.000 0.848 203 N CB -0.099 38.600 38.487 0.353 0.000 1.007 203 N HN 0.169 nan 8.380 nan 0.000 0.423 204 L N 1.348 122.579 121.223 0.014 0.000 2.022 204 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 204 L C 2.060 178.805 176.870 -0.207 0.000 1.076 204 L CA 1.698 56.252 54.840 -0.478 0.000 0.749 204 L CB -0.618 40.899 42.059 -0.903 0.000 0.903 204 L HN 0.094 nan 8.230 nan 0.000 0.439 205 Q N -1.168 118.575 119.800 -0.094 0.000 2.159 205 Q HA -0.003 4.337 4.340 -0.000 0.000 0.194 205 Q C 2.117 178.202 176.000 0.141 0.000 0.968 205 Q CA 0.966 56.777 55.803 0.013 0.000 0.837 205 Q CB -0.314 28.449 28.738 0.041 0.000 0.920 205 Q HN 0.336 nan 8.270 nan 0.000 0.485 206 L N 0.103 121.468 121.223 0.237 0.000 2.191 206 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 206 L C 1.557 178.768 176.870 0.567 0.000 1.103 206 L CA 1.254 56.357 54.840 0.438 0.000 0.769 206 L CB 0.162 42.455 42.059 0.390 0.000 0.908 206 L HN 0.059 nan 8.230 nan 0.000 0.438 207 V N -2.748 117.386 119.914 0.366 0.000 3.134 207 V HA 0.255 4.375 4.120 -0.000 0.000 0.222 207 V C 2.224 178.369 176.094 0.085 0.000 1.247 207 V CA 0.751 63.180 62.300 0.214 0.000 1.281 207 V CB -0.759 31.229 31.823 0.274 0.000 1.169 207 V HN 0.292 nan 8.190 nan 0.000 0.512 208 G N 0.647 109.602 108.800 0.258 0.000 2.631 208 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 208 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 208 G C 1.323 176.342 174.900 0.197 0.000 1.214 208 G CA 1.672 47.001 45.100 0.382 0.000 0.785 208 G HN 0.604 nan 8.290 nan 0.000 0.596 209 E N 0.491 120.720 120.200 0.048 0.000 2.028 209 E HA 0.124 4.474 4.350 -0.000 0.000 0.190 209 E C 2.991 179.493 176.600 -0.163 0.000 0.984 209 E CA 0.637 57.011 56.400 -0.044 0.000 0.800 209 E CB -0.253 29.415 29.700 -0.053 0.000 0.758 209 E HN 0.382 nan 8.360 nan 0.000 0.448 210 A N 0.870 123.558 122.820 -0.219 0.000 1.908 210 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 210 A C 2.375 179.735 177.584 -0.374 0.000 1.181 210 A CA 1.537 53.320 52.037 -0.422 0.000 0.627 210 A CB -1.011 17.562 19.000 -0.711 0.000 0.818 210 A HN 0.468 nan 8.150 nan 0.000 0.445 211 C N -2.541 116.447 119.300 -0.520 0.000 2.522 211 C HA 0.246 4.706 4.460 -0.000 0.000 0.280 211 C C 2.292 176.740 174.990 -0.902 0.000 1.303 211 C CA 1.062 59.498 59.018 -0.971 0.000 1.709 211 C CB -0.990 25.580 27.740 -1.951 0.000 2.071 211 C HN 0.527 nan 8.230 nan 0.000 0.492 212 F N 0.302 120.069 119.950 -0.305 0.000 2.536 212 F HA 0.158 4.685 4.527 -0.000 0.000 0.278 212 F C 2.608 178.219 175.800 -0.317 0.000 0.945 212 F CA 1.295 59.132 58.000 -0.272 0.000 1.244 212 F CB -1.328 37.525 39.000 -0.246 0.000 1.118 212 F HN -0.073 nan 8.300 nan 0.000 0.725 213 T N 0.507 115.068 114.554 0.012 0.000 2.607 213 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 213 T C 1.744 176.378 174.700 -0.110 0.000 1.049 213 T CA 2.112 64.215 62.100 0.005 0.000 1.162 213 T CB -0.630 68.284 68.868 0.077 0.000 0.863 213 T HN 0.117 nan 8.240 nan 0.000 0.424 214 N N 1.440 120.031 118.700 -0.182 0.000 2.043 214 N HA -0.068 4.672 4.740 -0.000 0.000 0.193 214 N C -1.030 174.322 175.510 -0.264 0.000 1.037 214 N CA 1.515 54.440 53.050 -0.209 0.000 0.851 214 N CB -0.890 37.457 38.487 -0.233 0.000 1.027 214 N HN 0.276 nan 8.380 nan 0.000 0.422 215 P HA -0.039 nan 4.420 nan 0.000 0.217 215 P C 1.565 178.564 177.300 -0.502 0.000 1.151 215 P CA 0.569 63.247 63.100 -0.704 0.000 0.828 215 P CB -0.029 30.713 31.700 -1.596 0.000 0.788 216 L N -0.513 120.422 121.223 -0.480 0.000 2.012 216 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 216 L C 1.994 179.064 176.870 0.332 0.000 1.073 216 L CA 2.020 56.962 54.840 0.171 0.000 0.748 216 L CB -1.339 40.840 42.059 0.199 0.000 0.891 216 L HN -0.157 nan 8.230 nan 0.000 0.431 217 I N -0.638 120.035 120.570 0.172 0.000 2.248 217 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 217 I C 2.544 178.850 176.117 0.315 0.000 1.107 217 I CA 1.301 62.750 61.300 0.248 0.000 1.373 217 I CB -1.326 36.691 38.000 0.028 0.000 1.055 217 I HN 0.177 nan 8.210 nan 0.000 0.418 218 V N 1.028 121.062 119.914 0.199 0.000 2.379 218 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 218 V C 2.801 179.060 176.094 0.275 0.000 1.044 218 V CA 1.436 63.850 62.300 0.189 0.000 1.036 218 V CB -1.053 30.832 31.823 0.103 0.000 0.664 218 V HN 0.423 nan 8.190 nan 0.000 0.453 219 A N 0.265 123.326 122.820 0.402 0.000 1.892 219 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 219 A C 2.392 180.263 177.584 0.479 0.000 1.188 219 A CA 2.317 54.662 52.037 0.514 0.000 0.631 219 A CB -0.874 18.665 19.000 0.898 0.000 0.822 219 A HN 0.333 nan 8.150 nan 0.000 0.447 220 V N 0.835 121.105 119.914 0.593 0.000 2.380 220 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 220 V C 2.957 179.300 176.094 0.415 0.000 1.063 220 V CA 2.508 65.180 62.300 0.620 0.000 1.055 220 V CB -1.610 30.615 31.823 0.670 0.000 0.657 220 V HN 0.880 nan 8.190 nan 0.000 0.455 221 T N -2.641 112.094 114.554 0.301 0.000 2.915 221 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 221 T C 1.694 176.423 174.700 0.048 0.000 1.071 221 T CA 1.168 63.363 62.100 0.159 0.000 1.132 221 T CB -0.198 68.757 68.868 0.144 0.000 0.878 221 T HN 0.432 nan 8.240 nan 0.000 0.479 222 E N 0.740 120.960 120.200 0.034 0.000 2.046 222 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 222 E C 1.786 178.202 176.600 -0.306 0.000 0.982 222 E CA 0.961 57.274 56.400 -0.145 0.000 0.800 222 E CB -0.457 29.131 29.700 -0.187 0.000 0.756 222 E HN 0.725 nan 8.360 nan 0.000 0.449 223 W N 1.503 122.601 121.300 -0.336 0.000 2.363 223 W HA -0.087 4.573 4.660 -0.000 0.000 0.296 223 W C 2.551 178.493 176.519 -0.962 0.000 1.212 223 W CA 1.288 58.275 57.345 -0.597 0.000 1.260 223 W CB -0.625 28.487 29.460 -0.581 0.000 1.131 223 W HN 0.088 nan 8.180 nan 0.000 0.530 224 A N 0.630 123.141 122.820 -0.515 0.000 1.851 224 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 224 A C 2.128 179.468 177.584 -0.407 0.000 1.195 224 A CA 2.797 54.492 52.037 -0.570 0.000 0.622 224 A CB -1.467 17.593 19.000 0.100 0.000 0.831 224 A HN 0.194 nan 8.150 nan 0.000 0.444 225 A N -0.206 122.475 122.820 -0.232 0.000 1.917 225 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 225 A C 2.486 179.927 177.584 -0.239 0.000 1.182 225 A CA 2.443 54.370 52.037 -0.183 0.000 0.633 225 A CB -1.111 17.801 19.000 -0.148 0.000 0.819 225 A HN 1.246 nan 8.150 nan 0.000 0.448 226 A N -0.496 122.131 122.820 -0.322 0.000 2.070 226 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 226 A C 1.390 178.850 177.584 -0.205 0.000 1.159 226 A CA 1.688 53.533 52.037 -0.320 0.000 0.656 226 A CB -0.517 18.250 19.000 -0.390 0.000 0.800 226 A HN 0.619 nan 8.150 nan 0.000 0.453 227 N N -1.587 116.953 118.700 -0.268 0.000 2.275 227 N HA 0.383 5.123 4.740 -0.000 0.000 0.236 227 N C 0.826 176.341 175.510 0.009 0.000 1.154 227 N CA 0.794 53.791 53.050 -0.088 0.000 0.866 227 N CB 0.873 39.205 38.487 -0.258 0.000 1.093 227 N HN 0.463 nan 8.380 nan 0.000 0.515 228 G N 0.418 109.205 108.800 -0.021 0.000 2.199 228 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 228 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 228 G C -0.154 174.803 174.900 0.094 0.000 0.982 228 G CA 0.075 45.206 45.100 0.052 0.000 0.632 228 G HN 0.453 nan 8.290 nan 0.000 0.529 229 D N 1.029 121.481 120.400 0.086 0.000 2.374 229 D HA 0.442 5.082 4.640 -0.000 0.000 0.240 229 D C 1.211 177.593 176.300 0.136 0.000 1.229 229 D CA -0.272 53.873 54.000 0.240 0.000 0.895 229 D CB 0.469 41.541 40.800 0.453 0.000 1.046 229 D HN 0.246 nan 8.370 nan 0.000 0.498 230 E N 3.707 123.969 120.200 0.104 0.000 2.481 230 E HA 0.030 4.380 4.350 -0.000 0.000 0.198 230 E C 1.567 178.158 176.600 -0.015 0.000 1.027 230 E CA -0.089 56.327 56.400 0.027 0.000 0.900 230 E CB 0.558 30.259 29.700 0.001 0.000 0.993 230 E HN 0.560 nan 8.360 nan 0.000 0.482 231 I N 0.903 121.466 120.570 -0.013 0.000 2.193 231 I HA -0.158 4.012 4.170 -0.000 0.000 0.240 231 I C 2.102 178.183 176.117 -0.061 0.000 1.084 231 I CA 1.242 62.440 61.300 -0.169 0.000 1.365 231 I CB -1.523 36.236 38.000 -0.402 0.000 1.064 231 I HN 0.000 nan 8.210 nan 0.000 0.410 232 T N 2.011 116.598 114.554 0.054 0.000 2.720 232 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 232 T C -0.295 174.368 174.700 -0.061 0.000 1.037 232 T CA 1.595 63.641 62.100 -0.089 0.000 1.144 232 T CB -1.353 67.445 68.868 -0.117 0.000 0.864 232 T HN 0.206 nan 8.240 nan 0.000 0.444 233 P HA -0.073 nan 4.420 nan 0.000 0.215 233 P C 1.695 179.019 177.300 0.040 0.000 1.157 233 P CA 1.281 64.406 63.100 0.042 0.000 0.868 233 P CB -0.301 31.409 31.700 0.017 0.000 0.788 234 T N -0.841 113.708 114.554 -0.008 0.000 2.665 234 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 234 T C 1.770 176.452 174.700 -0.029 0.000 1.035 234 T CA 1.533 63.607 62.100 -0.043 0.000 1.151 234 T CB -0.959 67.849 68.868 -0.100 0.000 0.862 234 T HN -0.096 nan 8.240 nan 0.000 0.438 235 V N 0.233 120.164 119.914 0.028 0.000 2.331 235 V HA 0.007 4.127 4.120 -0.000 0.000 0.242 235 V C 2.141 178.388 176.094 0.254 0.000 1.034 235 V CA 1.204 63.563 62.300 0.099 0.000 1.027 235 V CB -0.649 31.292 31.823 0.198 0.000 0.667 235 V HN 0.316 nan 8.190 nan 0.000 0.457 236 F N 0.258 120.216 119.950 0.014 0.000 2.216 236 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 236 F C 2.097 177.885 175.800 -0.020 0.000 1.085 236 F CA 0.851 58.859 58.000 0.014 0.000 1.326 236 F CB -0.929 38.123 39.000 0.086 0.000 1.027 236 F HN 0.062 nan 8.300 nan 0.000 0.497 237 L N -1.564 119.759 121.223 0.167 0.000 2.362 237 L HA -0.151 4.189 4.340 -0.000 0.000 0.219 237 L C 2.472 179.345 176.870 0.005 0.000 1.134 237 L CA 0.953 55.832 54.840 0.065 0.000 0.807 237 L CB -0.566 41.518 42.059 0.042 0.000 0.927 237 L HN 0.105 nan 8.230 nan 0.000 0.447 238 S N 0.016 115.713 115.700 -0.005 0.000 2.406 238 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 238 S C 1.926 176.490 174.600 -0.061 0.000 1.030 238 S CA 0.399 58.573 58.200 -0.044 0.000 0.958 238 S CB 0.049 63.206 63.200 -0.070 0.000 0.811 238 S HN 0.288 nan 8.310 nan 0.000 0.489 239 I N 1.562 122.064 120.570 -0.113 0.000 2.315 239 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 239 I C 2.738 178.704 176.117 -0.252 0.000 1.117 239 I CA 1.144 62.259 61.300 -0.308 0.000 1.404 239 I CB -0.340 37.316 38.000 -0.573 0.000 1.071 239 I HN 0.361 nan 8.210 nan 0.000 0.419 240 E N 1.061 121.166 120.200 -0.158 0.000 2.118 240 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 240 E C 2.164 178.695 176.600 -0.115 0.000 0.992 240 E CA 2.126 58.452 56.400 -0.123 0.000 0.804 240 E CB -0.095 29.572 29.700 -0.056 0.000 0.741 240 E HN 0.571 nan 8.360 nan 0.000 0.458 241 T N -1.084 113.416 114.554 -0.090 0.000 2.929 241 T HA -0.128 4.222 4.350 -0.000 0.000 0.271 241 T C 1.269 175.894 174.700 -0.126 0.000 1.085 241 T CA 1.392 63.439 62.100 -0.088 0.000 1.125 241 T CB -0.110 68.718 68.868 -0.066 0.000 0.874 241 T HN 0.004 nan 8.240 nan 0.000 0.494 242 D N 0.920 121.242 120.400 -0.130 0.000 2.249 242 D HA 0.030 4.670 4.640 -0.000 0.000 0.205 242 D C 2.017 178.014 176.300 -0.505 0.000 0.962 242 D CA 0.586 54.464 54.000 -0.204 0.000 0.860 242 D CB -0.338 40.471 40.800 0.015 0.000 0.955 242 D HN 0.355 nan 8.370 nan 0.000 0.505 243 E N 0.666 120.611 120.200 -0.426 0.000 2.396 243 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 243 E C 1.792 178.186 176.600 -0.343 0.000 1.023 243 E CA 0.048 56.167 56.400 -0.469 0.000 0.857 243 E CB -0.257 29.299 29.700 -0.240 0.000 0.775 243 E HN 0.150 nan 8.360 nan 0.000 0.525 244 L N 0.352 121.406 121.223 -0.281 0.000 2.017 244 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 244 L C 1.982 178.761 176.870 -0.152 0.000 1.073 244 L CA 1.790 56.539 54.840 -0.151 0.000 0.745 244 L CB -0.118 41.886 42.059 -0.091 0.000 0.894 244 L HN 0.019 nan 8.230 nan 0.000 0.432 245 R N -1.684 118.571 120.500 -0.409 0.000 2.115 245 R HA -0.087 4.253 4.340 -0.000 0.000 0.226 245 R C 2.079 178.414 176.300 0.058 0.000 1.100 245 R CA 1.423 57.289 56.100 -0.390 0.000 0.980 245 R CB -0.569 29.390 30.300 -0.569 0.000 0.875 245 R HN 0.628 nan 8.270 nan 0.000 0.445 246 H N -0.423 118.598 119.070 -0.081 0.000 2.495 246 H HA 0.061 4.617 4.556 -0.000 0.000 0.287 246 H C 1.969 177.311 175.328 0.023 0.000 1.033 246 H CA 0.305 56.339 56.048 -0.024 0.000 1.307 246 H CB 0.209 29.940 29.762 -0.051 0.000 1.401 246 H HN 0.058 nan 8.280 nan 0.000 0.555 247 M N 0.493 120.165 119.600 0.120 0.000 2.200 247 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 247 M C 2.659 179.126 176.300 0.277 0.000 1.066 247 M CA 0.745 56.106 55.300 0.102 0.000 1.127 247 M CB -0.584 32.001 32.600 -0.026 0.000 1.379 247 M HN 0.312 nan 8.290 nan 0.000 0.420 248 A N 0.568 123.538 122.820 0.250 0.000 1.969 248 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 248 A C 1.941 179.680 177.584 0.258 0.000 1.169 248 A CA 1.663 53.863 52.037 0.270 0.000 0.635 248 A CB -0.998 18.206 19.000 0.340 0.000 0.810 248 A HN 0.596 nan 8.150 nan 0.000 0.445 249 N N -0.503 118.328 118.700 0.218 0.000 2.171 249 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 249 N C 1.855 177.520 175.510 0.260 0.000 1.021 249 N CA 0.775 53.936 53.050 0.185 0.000 0.854 249 N CB -0.235 38.388 38.487 0.227 0.000 0.994 249 N HN 0.480 nan 8.380 nan 0.000 0.426 250 G N -0.159 108.802 108.800 0.268 0.000 2.422 250 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 250 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 250 G C 1.254 176.318 174.900 0.273 0.000 1.140 250 G CA 0.395 45.649 45.100 0.256 0.000 0.775 250 G HN 0.351 nan 8.290 nan 0.000 0.545 251 Y N 0.762 121.191 120.300 0.214 0.000 2.220 251 Y HA 0.003 4.553 4.550 -0.000 0.000 0.291 251 Y C 2.750 178.610 175.900 -0.066 0.000 1.129 251 Y CA 1.560 59.717 58.100 0.095 0.000 1.161 251 Y CB 0.130 38.679 38.460 0.149 0.000 0.997 251 Y HN 0.119 nan 8.280 nan 0.000 0.522 252 Q N -0.408 119.523 119.800 0.219 0.000 2.436 252 Q HA -0.069 4.271 4.340 -0.000 0.000 0.209 252 Q C 1.948 177.922 176.000 -0.042 0.000 0.965 252 Q CA 1.402 57.243 55.803 0.062 0.000 0.910 252 Q CB -0.329 28.438 28.738 0.048 0.000 0.980 252 Q HN 0.509 nan 8.270 nan 0.000 0.491 253 T N 0.112 114.669 114.554 0.006 0.000 2.812 253 T HA -0.052 4.298 4.350 -0.000 0.000 0.264 253 T C 2.029 176.659 174.700 -0.117 0.000 1.042 253 T CA 0.988 63.101 62.100 0.021 0.000 1.140 253 T CB -0.052 68.864 68.868 0.080 0.000 0.870 253 T HN 0.042 nan 8.240 nan 0.000 0.445 254 V N 1.396 121.174 119.914 -0.227 0.000 2.427 254 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 254 V C 2.631 178.468 176.094 -0.427 0.000 1.051 254 V CA 1.118 63.212 62.300 -0.342 0.000 1.048 254 V CB -0.653 30.876 31.823 -0.490 0.000 0.666 254 V HN 0.309 nan 8.190 nan 0.000 0.456 255 V N 0.952 120.552 119.914 -0.523 0.000 2.270 255 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 255 V C 2.727 178.741 176.094 -0.134 0.000 1.043 255 V CA 2.170 64.221 62.300 -0.416 0.000 1.014 255 V CB -0.876 30.765 31.823 -0.303 0.000 0.645 255 V HN 0.762 nan 8.190 nan 0.000 0.447 256 S N 1.341 116.986 115.700 -0.093 0.000 2.440 256 S HA -0.167 4.303 4.470 -0.000 0.000 0.240 256 S C 1.657 176.261 174.600 0.006 0.000 1.014 256 S CA 1.935 60.121 58.200 -0.024 0.000 0.980 256 S CB -0.721 62.475 63.200 -0.007 0.000 0.775 256 S HN 0.802 nan 8.310 nan 0.000 0.499 257 I N -2.874 117.690 120.570 -0.010 0.000 4.025 257 I HA 0.638 4.808 4.170 -0.000 0.000 0.336 257 I C 1.830 177.993 176.117 0.077 0.000 1.390 257 I CA 0.039 61.373 61.300 0.057 0.000 1.099 257 I CB -0.052 37.981 38.000 0.056 0.000 1.049 257 I HN 0.193 nan 8.210 nan 0.000 0.394 258 A N 2.033 124.881 122.820 0.046 0.000 1.969 258 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 258 A C 1.818 179.456 177.584 0.091 0.000 1.169 258 A CA 1.446 53.543 52.037 0.100 0.000 0.635 258 A CB -0.532 18.600 19.000 0.219 0.000 0.810 258 A HN 0.540 nan 8.150 nan 0.000 0.445 259 N N 0.220 118.965 118.700 0.075 0.000 2.398 259 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 259 N C -0.368 175.171 175.510 0.049 0.000 1.122 259 N CA 0.257 53.339 53.050 0.054 0.000 0.866 259 N CB -0.032 38.482 38.487 0.045 0.000 0.970 259 N HN 0.534 nan 8.380 nan 0.000 0.462 260 D N 0.867 121.309 120.400 0.070 0.000 2.308 260 D HA 0.147 4.787 4.640 -0.000 0.000 0.251 260 D C -1.578 174.749 176.300 0.045 0.000 1.127 260 D CA -1.891 52.150 54.000 0.068 0.000 0.876 260 D CB 1.734 42.603 40.800 0.115 0.000 1.176 260 D HN -0.093 nan 8.370 nan 0.000 0.446 261 P HA -0.087 nan 4.420 nan 0.000 0.219 261 P C 0.719 177.973 177.300 -0.076 0.000 1.146 261 P CA 1.082 64.167 63.100 -0.026 0.000 0.808 261 P CB 0.162 31.845 31.700 -0.027 0.000 0.779 262 A N -0.765 122.015 122.820 -0.068 0.000 2.067 262 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 262 A C 2.443 179.910 177.584 -0.194 0.000 1.158 262 A CA 1.731 53.662 52.037 -0.177 0.000 0.661 262 A CB -1.469 17.512 19.000 -0.033 0.000 0.801 262 A HN 0.191 nan 8.150 nan 0.000 0.452 263 S N -0.124 115.590 115.700 0.025 0.000 2.382 263 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 263 S C 2.035 176.679 174.600 0.074 0.000 1.027 263 S CA 1.386 59.702 58.200 0.193 0.000 0.991 263 S CB -0.372 62.962 63.200 0.222 0.000 0.823 263 S HN 0.796 nan 8.310 nan 0.000 0.469 264 A N 0.483 123.288 122.820 -0.024 0.000 2.168 264 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 264 A C 1.977 179.496 177.584 -0.108 0.000 1.152 264 A CA 1.016 53.026 52.037 -0.045 0.000 0.716 264 A CB -0.195 18.774 19.000 -0.052 0.000 0.794 264 A HN 0.657 nan 8.150 nan 0.000 0.465 265 K N -2.153 118.089 120.400 -0.263 0.000 2.287 265 K HA 0.149 4.469 4.320 -0.000 0.000 0.199 265 K C 1.187 177.600 176.600 -0.310 0.000 1.061 265 K CA 0.967 57.001 56.287 -0.421 0.000 0.976 265 K CB -0.004 31.979 32.500 -0.862 0.000 0.898 265 K HN 0.620 nan 8.250 nan 0.000 0.492 266 Y N 0.056 120.364 120.300 0.013 0.000 2.535 266 Y HA 0.084 4.634 4.550 -0.000 0.000 0.266 266 Y C 1.981 178.020 175.900 0.232 0.000 1.088 266 Y CA -0.647 57.489 58.100 0.059 0.000 1.285 266 Y CB 0.156 38.533 38.460 -0.138 0.000 1.166 266 Y HN -0.123 nan 8.280 nan 0.000 0.525 267 L N 1.415 122.898 121.223 0.434 0.000 1.997 267 L HA -0.306 4.034 4.340 -0.000 0.000 0.216 267 L C 1.422 178.432 176.870 0.233 0.000 1.074 267 L CA 2.121 57.178 54.840 0.363 0.000 0.763 267 L CB -0.942 41.266 42.059 0.247 0.000 0.890 267 L HN 0.224 nan 8.230 nan 0.000 0.434 268 N N -2.059 116.746 118.700 0.174 0.000 2.309 268 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 268 N C 1.382 176.998 175.510 0.177 0.000 1.018 268 N CA 1.322 54.458 53.050 0.143 0.000 0.876 268 N CB 0.016 38.560 38.487 0.096 0.000 0.972 268 N HN 0.561 nan 8.380 nan 0.000 0.434 269 T N -0.399 114.279 114.554 0.207 0.000 2.812 269 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 269 T C 1.197 176.039 174.700 0.236 0.000 1.042 269 T CA 0.867 63.098 62.100 0.218 0.000 1.140 269 T CB -0.185 68.819 68.868 0.225 0.000 0.870 269 T HN 0.089 nan 8.240 nan 0.000 0.445 270 D N 1.042 121.596 120.400 0.257 0.000 2.144 270 D HA 0.008 4.648 4.640 -0.000 0.000 0.200 270 D C 2.036 178.486 176.300 0.249 0.000 0.978 270 D CA 0.491 54.640 54.000 0.248 0.000 0.833 270 D CB -0.263 40.695 40.800 0.264 0.000 0.961 270 D HN 0.199 nan 8.370 nan 0.000 0.470 271 L N 1.318 122.686 121.223 0.242 0.000 2.093 271 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 271 L C 1.698 178.773 176.870 0.341 0.000 1.085 271 L CA 1.649 56.655 54.840 0.276 0.000 0.755 271 L CB -0.814 41.378 42.059 0.221 0.000 0.904 271 L HN -0.119 nan 8.230 nan 0.000 0.435 272 N N -0.339 118.532 118.700 0.285 0.000 2.142 272 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 272 N C 1.638 177.364 175.510 0.359 0.000 1.023 272 N CA 1.920 55.149 53.050 0.298 0.000 0.852 272 N CB -0.228 38.373 38.487 0.190 0.000 0.998 272 N HN 0.538 nan 8.380 nan 0.000 0.424 273 N N -0.563 118.327 118.700 0.316 0.000 2.188 273 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 273 N C 1.600 177.318 175.510 0.345 0.000 1.018 273 N CA 0.867 54.115 53.050 0.330 0.000 0.858 273 N CB -0.117 38.540 38.487 0.283 0.000 0.989 273 N HN 0.310 nan 8.380 nan 0.000 0.426 274 A N 1.113 124.135 122.820 0.336 0.000 1.873 274 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 274 A C 1.957 179.745 177.584 0.340 0.000 1.186 274 A CA 0.971 53.201 52.037 0.321 0.000 0.616 274 A CB -0.932 18.260 19.000 0.320 0.000 0.823 274 A HN 0.374 nan 8.150 nan 0.000 0.442 275 F N -0.380 119.743 119.950 0.290 0.000 2.043 275 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 275 F C 2.256 178.204 175.800 0.245 0.000 1.121 275 F CA 2.079 60.234 58.000 0.257 0.000 1.199 275 F CB -0.566 38.634 39.000 0.332 0.000 0.968 275 F HN 0.529 nan 8.300 nan 0.000 0.478 276 W N 1.340 122.602 121.300 -0.064 0.000 2.338 276 W HA -0.237 4.423 4.660 -0.000 0.000 0.304 276 W C 2.149 178.602 176.519 -0.109 0.000 1.212 276 W CA 2.378 59.609 57.345 -0.190 0.000 1.264 276 W CB -0.818 28.609 29.460 -0.056 0.000 1.142 276 W HN 0.036 nan 8.180 nan 0.000 0.512 277 T N 1.270 115.878 114.554 0.089 0.000 2.665 277 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 277 T C 1.792 176.418 174.700 -0.123 0.000 1.035 277 T CA 1.975 64.092 62.100 0.029 0.000 1.151 277 T CB -0.347 68.608 68.868 0.145 0.000 0.862 277 T HN 0.150 nan 8.240 nan 0.000 0.438 278 Q N 0.714 120.477 119.800 -0.063 0.000 1.990 278 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 278 Q C 2.517 178.366 176.000 -0.253 0.000 0.980 278 Q CA 1.203 56.993 55.803 -0.022 0.000 0.832 278 Q CB -0.808 28.086 28.738 0.259 0.000 0.897 278 Q HN 0.468 nan 8.270 nan 0.000 0.427 279 Q N 1.890 121.472 119.800 -0.363 0.000 2.112 279 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 279 Q C 1.843 177.572 176.000 -0.452 0.000 0.987 279 Q CA 2.120 57.684 55.803 -0.400 0.000 0.858 279 Q CB -0.262 28.080 28.738 -0.660 0.000 0.905 279 Q HN 0.156 nan 8.270 nan 0.000 0.420 280 K N -0.582 119.423 120.400 -0.658 0.000 2.113 280 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 280 K C 1.966 178.375 176.600 -0.319 0.000 1.047 280 K CA 1.696 57.638 56.287 -0.575 0.000 0.928 280 K CB -0.659 31.502 32.500 -0.565 0.000 0.716 280 K HN 0.416 nan 8.250 nan 0.000 0.446 281 Y N -1.115 118.893 120.300 -0.487 0.000 2.266 281 Y HA 0.082 4.632 4.550 -0.000 0.000 0.294 281 Y C 1.489 177.062 175.900 -0.545 0.000 1.127 281 Y CA 1.088 58.861 58.100 -0.545 0.000 1.140 281 Y CB -0.110 37.886 38.460 -0.773 0.000 1.071 281 Y HN -0.014 nan 8.280 nan 0.000 0.525 282 F N 0.050 119.772 119.950 -0.381 0.000 2.186 282 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 282 F C 2.452 178.097 175.800 -0.258 0.000 1.090 282 F CA 1.721 59.447 58.000 -0.456 0.000 1.307 282 F CB -1.321 37.274 39.000 -0.675 0.000 1.019 282 F HN -0.070 nan 8.300 nan 0.000 0.489 283 T N 1.410 116.002 114.554 0.064 0.000 2.665 283 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 283 T C -0.348 174.431 174.700 0.132 0.000 1.035 283 T CA 2.054 64.355 62.100 0.334 0.000 1.151 283 T CB -1.244 67.747 68.868 0.205 0.000 0.862 283 T HN 0.212 nan 8.240 nan 0.000 0.438 284 P HA 0.197 nan 4.420 nan 0.000 0.228 284 P C 1.534 178.653 177.300 -0.302 0.000 1.166 284 P CA 0.484 63.504 63.100 -0.134 0.000 0.812 284 P CB 0.028 31.666 31.700 -0.103 0.000 0.857 285 V N 0.591 120.222 119.914 -0.472 0.000 2.488 285 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 285 V C 2.772 178.523 176.094 -0.572 0.000 1.046 285 V CA 1.291 63.264 62.300 -0.545 0.000 1.053 285 V CB -1.044 30.276 31.823 -0.837 0.000 0.679 285 V HN -0.023 nan 8.190 nan 0.000 0.458 286 L N 0.443 121.276 121.223 -0.650 0.000 2.056 286 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 286 L C 2.658 178.598 176.870 -1.550 0.000 1.078 286 L CA 1.734 55.951 54.840 -1.039 0.000 0.749 286 L CB -1.147 40.391 42.059 -0.869 0.000 0.901 286 L HN 0.463 nan 8.230 nan 0.000 0.433 287 G N -0.306 107.391 108.800 -1.839 0.000 2.432 287 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 287 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 287 G C 1.645 176.174 174.900 -0.618 0.000 1.135 287 G CA 0.809 44.809 45.100 -1.833 0.000 0.767 287 G HN 0.269 nan 8.290 nan 0.000 0.550 288 M N -0.148 119.198 119.600 -0.423 0.000 2.099 288 M HA 0.106 4.586 4.480 -0.000 0.000 0.262 288 M C 2.402 178.601 176.300 -0.169 0.000 1.067 288 M CA 1.233 56.461 55.300 -0.120 0.000 1.124 288 M CB -0.161 32.351 32.600 -0.147 0.000 1.353 288 M HN 0.186 nan 8.290 nan 0.000 0.410 289 L N -0.466 120.526 121.223 -0.385 0.000 2.046 289 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 289 L C 2.368 179.080 176.870 -0.264 0.000 1.077 289 L CA 1.507 56.123 54.840 -0.374 0.000 0.747 289 L CB -0.759 40.991 42.059 -0.515 0.000 0.896 289 L HN 0.351 nan 8.230 nan 0.000 0.432 290 F N 0.397 120.004 119.950 -0.572 0.000 2.031 290 F HA -0.218 4.309 4.527 -0.000 0.000 0.295 290 F C 2.682 177.982 175.800 -0.833 0.000 1.133 290 F CA 0.983 58.381 58.000 -1.003 0.000 1.188 290 F CB -0.160 37.996 39.000 -1.407 0.000 0.974 290 F HN 0.085 nan 8.300 nan 0.000 0.473 291 E N -0.754 119.288 120.200 -0.263 0.000 2.107 291 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 291 E C 1.659 178.112 176.600 -0.246 0.000 0.982 291 E CA 1.264 57.566 56.400 -0.164 0.000 0.809 291 E CB -0.193 29.609 29.700 0.170 0.000 0.756 291 E HN 0.520 nan 8.360 nan 0.000 0.459 292 Y N -0.438 119.767 120.300 -0.158 0.000 2.497 292 Y HA 0.189 4.739 4.550 -0.000 0.000 0.265 292 Y C 2.174 177.921 175.900 -0.255 0.000 1.111 292 Y CA 0.463 58.362 58.100 -0.335 0.000 1.288 292 Y CB 0.631 38.488 38.460 -1.005 0.000 1.082 292 Y HN 0.003 nan 8.280 nan 0.000 0.536 293 G N -0.492 108.287 108.800 -0.035 0.000 3.434 293 G HA2 0.243 4.203 3.960 -0.000 0.000 0.258 293 G HA3 0.243 4.203 3.960 -0.000 0.000 0.258 293 G C -0.019 174.968 174.900 0.145 0.000 1.128 293 G CA 0.213 45.314 45.100 0.002 0.000 0.792 293 G HN 0.222 nan 8.290 nan 0.000 0.539 294 S N -1.403 114.348 115.700 0.084 0.000 2.632 294 S HA 0.678 5.148 4.470 -0.000 0.000 0.289 294 S C 0.404 174.879 174.600 -0.209 0.000 1.115 294 S CA -0.735 57.524 58.200 0.098 0.000 0.889 294 S CB 2.690 66.027 63.200 0.228 0.000 1.116 294 S HN -0.032 nan 8.310 nan 0.000 0.486 295 K N 0.356 120.493 120.400 -0.439 0.000 2.225 295 K HA 0.435 4.755 4.320 -0.000 0.000 0.204 295 K C -0.610 175.541 176.600 -0.749 0.000 1.047 295 K CA 0.102 55.917 56.287 -0.785 0.000 0.970 295 K CB -0.375 31.238 32.500 -1.478 0.000 0.939 295 K HN 0.646 nan 8.250 nan 0.000 0.472 296 F N 2.262 122.003 119.950 -0.348 0.000 2.411 296 F HA 0.364 4.891 4.527 -0.000 0.000 0.350 296 F C 0.270 175.822 175.800 -0.414 0.000 1.114 296 F CA -1.037 56.746 58.000 -0.361 0.000 1.135 296 F CB 1.275 40.086 39.000 -0.314 0.000 1.120 296 F HN -0.268 nan 8.300 nan 0.000 0.495 297 K N 1.558 121.730 120.400 -0.380 0.000 2.098 297 K HA 0.433 4.753 4.320 -0.000 0.000 0.261 297 K C 0.264 176.406 176.600 -0.764 0.000 0.987 297 K CA -0.375 55.544 56.287 -0.614 0.000 0.916 297 K CB 1.522 33.437 32.500 -0.974 0.000 1.039 297 K HN 0.396 nan 8.250 nan 0.000 0.455 298 V N 0.029 119.153 119.914 -1.317 0.000 2.908 298 V HA 0.173 4.293 4.120 -0.000 0.000 0.240 298 V C -0.149 175.674 176.094 -0.452 0.000 1.117 298 V CA 0.455 62.145 62.300 -1.017 0.000 1.133 298 V CB 0.136 31.000 31.823 -1.600 0.000 0.857 298 V HN 0.870 nan 8.190 nan 0.000 0.478 299 E N -0.037 120.048 120.200 -0.193 0.000 2.472 299 E HA 0.243 4.593 4.350 -0.000 0.000 0.290 299 E C -3.112 173.769 176.600 0.469 0.000 1.059 299 E CA -1.401 55.088 56.400 0.149 0.000 0.861 299 E CB 2.178 31.916 29.700 0.064 0.000 1.213 299 E HN 0.039 nan 8.360 nan 0.000 0.425 300 P HA -0.050 nan 4.420 nan 0.000 0.264 300 P C 0.117 177.689 177.300 0.453 0.000 1.193 300 P CA -0.106 63.261 63.100 0.445 0.000 0.763 300 P CB 0.268 31.951 31.700 -0.029 0.000 0.810 301 W N 4.601 126.127 121.300 0.375 0.000 2.342 301 W HA -0.222 4.438 4.660 -0.000 0.000 0.297 301 W C 1.254 177.834 176.519 0.102 0.000 1.213 301 W CA 1.617 59.057 57.345 0.159 0.000 1.251 301 W CB -0.242 29.163 29.460 -0.091 0.000 1.136 301 W HN 0.145 nan 8.180 nan 0.000 0.526 302 V N 0.250 120.237 119.914 0.122 0.000 2.287 302 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 302 V C 2.326 178.383 176.094 -0.061 0.000 1.053 302 V CA 2.569 64.857 62.300 -0.020 0.000 1.027 302 V CB -1.506 30.373 31.823 0.094 0.000 0.646 302 V HN 0.182 nan 8.190 nan 0.000 0.447 303 K N 0.553 120.926 120.400 -0.044 0.000 2.097 303 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 303 K C 2.179 178.715 176.600 -0.106 0.000 1.050 303 K CA 1.901 58.163 56.287 -0.043 0.000 0.938 303 K CB -0.417 32.070 32.500 -0.022 0.000 0.718 303 K HN 0.609 nan 8.250 nan 0.000 0.442 304 T N 0.181 114.614 114.554 -0.202 0.000 2.674 304 T HA -0.193 4.157 4.350 -0.000 0.000 0.265 304 T C 1.206 175.439 174.700 -0.779 0.000 1.039 304 T CA 1.514 63.333 62.100 -0.467 0.000 1.150 304 T CB -0.555 68.030 68.868 -0.472 0.000 0.864 304 T HN 0.511 nan 8.240 nan 0.000 0.427 305 W N 2.168 122.798 121.300 -1.118 0.000 2.317 305 W HA -0.222 4.438 4.660 0.000 0.000 0.318 305 W C 2.132 178.471 176.519 -0.299 0.000 1.227 305 W CA 1.774 58.586 57.345 -0.889 0.000 1.269 305 W CB -0.452 28.433 29.460 -0.959 0.000 1.155 305 W HN 0.196 nan 8.180 nan 0.000 0.484 306 D N -0.427 120.071 120.400 0.164 0.000 2.158 306 D HA -0.248 4.392 4.640 -0.000 0.000 0.197 306 D C 2.220 178.574 176.300 0.090 0.000 0.995 306 D CA 1.711 55.830 54.000 0.198 0.000 0.846 306 D CB -0.364 40.530 40.800 0.156 0.000 0.941 306 D HN 0.190 nan 8.370 nan 0.000 0.456 307 R N -1.014 119.507 120.500 0.036 0.000 2.066 307 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 307 R C 2.152 178.581 176.300 0.215 0.000 1.131 307 R CA 1.239 57.414 56.100 0.125 0.000 0.955 307 R CB -0.285 30.098 30.300 0.138 0.000 0.851 307 R HN 0.174 nan 8.270 nan 0.000 0.432 308 W N 0.286 121.517 121.300 -0.115 0.000 2.338 308 W HA -0.127 4.533 4.660 0.000 0.000 0.325 308 W C 2.233 178.607 176.519 -0.242 0.000 1.206 308 W CA 0.610 57.849 57.345 -0.178 0.000 1.257 308 W CB -1.256 28.058 29.460 -0.243 0.000 1.184 308 W HN -0.080 nan 8.180 nan 0.000 0.456 309 V N -0.933 118.844 119.914 -0.229 0.000 2.307 309 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 309 V C 1.931 178.017 176.094 -0.013 0.000 1.045 309 V CA 1.947 64.042 62.300 -0.342 0.000 1.024 309 V CB -1.325 29.881 31.823 -1.028 0.000 0.651 309 V HN 0.057 nan 8.190 nan 0.000 0.449 310 Y N 0.608 120.798 120.300 -0.185 0.000 2.206 310 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 310 Y C 2.626 178.558 175.900 0.053 0.000 1.123 310 Y CA 1.490 59.593 58.100 0.005 0.000 1.142 310 Y CB 0.096 38.603 38.460 0.077 0.000 1.006 310 Y HN 0.304 nan 8.280 nan 0.000 0.518 311 E N -0.407 119.902 120.200 0.182 0.000 2.033 311 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 311 E C 1.691 178.350 176.600 0.099 0.000 0.960 311 E CA 0.931 57.404 56.400 0.122 0.000 0.842 311 E CB -0.574 29.211 29.700 0.141 0.000 0.816 311 E HN 0.365 nan 8.360 nan 0.000 0.468 312 D N 0.195 120.675 120.400 0.132 0.000 2.133 312 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 312 D C 1.669 178.083 176.300 0.190 0.000 0.997 312 D CA 1.167 55.249 54.000 0.137 0.000 0.840 312 D CB -0.215 40.659 40.800 0.122 0.000 0.947 312 D HN 0.228 nan 8.370 nan 0.000 0.452 313 W N 0.997 122.296 121.300 -0.002 0.000 2.848 313 W HA 0.222 4.882 4.660 -0.000 0.000 0.288 313 W C 2.471 179.009 176.519 0.032 0.000 1.060 313 W CA 1.119 58.484 57.345 0.034 0.000 1.712 313 W CB -0.631 28.772 29.460 -0.095 0.000 1.155 313 W HN -0.068 nan 8.180 nan 0.000 0.540 314 G N -0.054 108.846 108.800 0.167 0.000 2.527 314 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 314 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 314 G C 1.244 175.986 174.900 -0.264 0.000 1.117 314 G CA 1.216 46.222 45.100 -0.157 0.000 0.759 314 G HN 0.510 nan 8.290 nan 0.000 0.556 315 G N 0.007 108.709 108.800 -0.162 0.000 2.868 315 G HA2 0.155 4.115 3.960 -0.000 0.000 0.201 315 G HA3 0.155 4.115 3.960 -0.000 0.000 0.201 315 G C 1.540 176.378 174.900 -0.104 0.000 1.130 315 G CA 0.286 45.302 45.100 -0.141 0.000 0.777 315 G HN 0.259 nan 8.290 nan 0.000 0.680 316 I N -0.216 120.335 120.570 -0.032 0.000 2.235 316 I HA -0.052 4.118 4.170 -0.000 0.000 0.241 316 I C 2.544 178.667 176.117 0.010 0.000 1.085 316 I CA 0.952 62.256 61.300 0.006 0.000 1.378 316 I CB -0.415 37.627 38.000 0.069 0.000 1.076 316 I HN 0.358 nan 8.210 nan 0.000 0.415 317 W N 2.066 123.267 121.300 -0.165 0.000 2.381 317 W HA -0.161 4.499 4.660 -0.000 0.000 0.301 317 W C 2.256 178.590 176.519 -0.308 0.000 1.205 317 W CA 1.033 58.261 57.345 -0.195 0.000 1.285 317 W CB 0.067 29.412 29.460 -0.192 0.000 1.133 317 W HN 0.019 nan 8.180 nan 0.000 0.521 318 I N 1.453 121.727 120.570 -0.493 0.000 2.676 318 I HA -0.107 4.063 4.170 -0.000 0.000 0.259 318 I C 2.673 178.555 176.117 -0.391 0.000 1.194 318 I CA 1.562 62.510 61.300 -0.586 0.000 1.473 318 I CB -1.787 35.788 38.000 -0.708 0.000 1.096 318 I HN -0.005 nan 8.210 nan 0.000 0.443 319 G N 0.326 108.951 108.800 -0.291 0.000 2.421 319 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 319 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 319 G C 1.830 176.615 174.900 -0.192 0.000 1.143 319 G CA 0.020 44.996 45.100 -0.205 0.000 0.784 319 G HN 0.295 nan 8.290 nan 0.000 0.541 320 R N -0.329 120.036 120.500 -0.225 0.000 2.189 320 R HA 0.157 4.497 4.340 -0.000 0.000 0.218 320 R C 1.847 178.058 176.300 -0.149 0.000 1.074 320 R CA 0.381 56.378 56.100 -0.171 0.000 0.991 320 R CB -0.212 29.988 30.300 -0.166 0.000 0.883 320 R HN 0.340 nan 8.270 nan 0.000 0.457 321 L N -0.318 120.753 121.223 -0.255 0.000 2.611 321 L HA 0.144 4.484 4.340 -0.000 0.000 0.229 321 L C 2.025 178.852 176.870 -0.073 0.000 1.137 321 L CA -0.153 54.601 54.840 -0.143 0.000 0.901 321 L CB 0.166 42.005 42.059 -0.367 0.000 1.098 321 L HN 0.237 nan 8.230 nan 0.000 0.456 322 G N 1.239 109.957 108.800 -0.136 0.000 2.422 322 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 322 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 322 G C 1.521 176.336 174.900 -0.142 0.000 1.140 322 G CA 0.341 45.364 45.100 -0.128 0.000 0.775 322 G HN 0.535 nan 8.290 nan 0.000 0.545 323 K N -0.448 119.815 120.400 -0.228 0.000 2.574 323 K HA 0.031 4.351 4.320 -0.000 0.000 0.193 323 K C 0.703 176.998 176.600 -0.508 0.000 1.035 323 K CA 0.608 56.674 56.287 -0.367 0.000 0.982 323 K CB -0.219 32.002 32.500 -0.465 0.000 0.795 323 K HN 0.472 nan 8.250 nan 0.000 0.491 324 Y N -0.021 120.200 120.300 -0.131 0.000 2.531 324 Y HA 0.257 4.807 4.550 -0.000 0.000 0.249 324 Y C 1.341 177.185 175.900 -0.093 0.000 1.168 324 Y CA -0.084 57.942 58.100 -0.123 0.000 1.226 324 Y CB 1.514 39.864 38.460 -0.184 0.000 1.177 324 Y HN 0.313 nan 8.280 nan 0.000 0.527 325 G N -0.009 108.795 108.800 0.006 0.000 2.176 325 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 325 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 325 G C -0.080 174.818 174.900 -0.004 0.000 0.986 325 G CA 0.006 45.105 45.100 -0.000 0.000 0.643 325 G HN 0.067 nan 8.290 nan 0.000 0.522 326 V N 1.571 121.476 119.914 -0.015 0.000 2.572 326 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 326 V C 0.548 176.596 176.094 -0.077 0.000 1.039 326 V CA 0.316 62.589 62.300 -0.045 0.000 1.055 326 V CB 1.263 33.031 31.823 -0.091 0.000 0.969 326 V HN 0.451 nan 8.190 nan 0.000 0.482 327 E N 2.008 122.169 120.200 -0.065 0.000 2.339 327 E HA 0.429 4.779 4.350 -0.000 0.000 0.262 327 E C -0.695 175.840 176.600 -0.109 0.000 0.934 327 E CA -0.801 55.551 56.400 -0.081 0.000 0.802 327 E CB 1.844 31.519 29.700 -0.041 0.000 1.275 327 E HN 0.572 nan 8.360 nan 0.000 0.427 328 S N 1.452 117.073 115.700 -0.131 0.000 2.533 328 S HA 0.137 4.607 4.470 -0.000 0.000 0.282 328 S C -2.242 172.291 174.600 -0.112 0.000 1.304 328 S CA -1.125 56.972 58.200 -0.171 0.000 1.063 328 S CB -0.024 63.072 63.200 -0.174 0.000 0.881 328 S HN 0.157 nan 8.310 nan 0.000 0.493 329 P HA 0.049 nan 4.420 nan 0.000 0.262 329 P C 0.530 177.794 177.300 -0.061 0.000 1.182 329 P CA -0.053 63.001 63.100 -0.078 0.000 0.761 329 P CB 0.319 31.901 31.700 -0.196 0.000 0.795 330 R N 1.579 122.076 120.500 -0.005 0.000 2.193 330 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 330 R C 1.166 177.466 176.300 -0.000 0.000 1.110 330 R CA 1.715 57.843 56.100 0.046 0.000 0.988 330 R CB -0.830 29.557 30.300 0.146 0.000 0.871 330 R HN 0.425 nan 8.270 nan 0.000 0.458 331 S N 0.496 116.041 115.700 -0.257 0.000 2.631 331 S HA 0.048 4.518 4.470 -0.000 0.000 0.217 331 S C 1.627 176.360 174.600 0.220 0.000 0.958 331 S CA -0.197 57.751 58.200 -0.420 0.000 0.920 331 S CB 0.163 62.520 63.200 -1.404 0.000 0.776 331 S HN 0.227 nan 8.310 nan 0.000 0.517 332 L N 2.149 123.485 121.223 0.187 0.000 2.012 332 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 332 L C 2.192 179.362 176.870 0.500 0.000 1.073 332 L CA 1.806 56.823 54.840 0.295 0.000 0.748 332 L CB -0.698 41.378 42.059 0.030 0.000 0.891 332 L HN 0.202 nan 8.230 nan 0.000 0.431 333 K N -0.764 119.874 120.400 0.397 0.000 2.026 333 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 333 K C 1.993 178.845 176.600 0.420 0.000 1.048 333 K CA 1.557 58.086 56.287 0.403 0.000 0.929 333 K CB -0.420 32.263 32.500 0.306 0.000 0.713 333 K HN 0.419 nan 8.250 nan 0.000 0.439 334 D N 0.633 121.305 120.400 0.453 0.000 2.106 334 D HA -0.188 4.452 4.640 -0.000 0.000 0.191 334 D C 1.921 178.584 176.300 0.605 0.000 0.997 334 D CA 1.578 55.890 54.000 0.520 0.000 0.834 334 D CB -0.050 41.121 40.800 0.619 0.000 0.956 334 D HN 0.195 nan 8.370 nan 0.000 0.448 335 A N 1.170 124.455 122.820 0.776 0.000 1.892 335 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 335 A C 2.122 179.947 177.584 0.402 0.000 1.188 335 A CA 2.358 54.781 52.037 0.644 0.000 0.631 335 A CB -0.607 18.890 19.000 0.828 0.000 0.822 335 A HN 0.242 nan 8.150 nan 0.000 0.447 336 K N -0.261 120.428 120.400 0.482 0.000 2.057 336 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 336 K C 2.355 178.977 176.600 0.037 0.000 1.049 336 K CA 1.789 58.192 56.287 0.193 0.000 0.931 336 K CB -0.247 32.458 32.500 0.342 0.000 0.714 336 K HN 0.723 nan 8.250 nan 0.000 0.440 337 Q N -0.236 119.668 119.800 0.172 0.000 2.230 337 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 337 Q C 0.777 176.888 176.000 0.184 0.000 0.963 337 Q CA 1.721 57.619 55.803 0.158 0.000 0.866 337 Q CB 0.138 28.992 28.738 0.193 0.000 0.931 337 Q HN 0.276 nan 8.270 nan 0.000 0.452 338 D N 0.389 120.914 120.400 0.208 0.000 2.333 338 D HA 0.082 4.722 4.640 -0.000 0.000 0.208 338 D C 1.674 178.053 176.300 0.131 0.000 0.984 338 D CA 0.898 55.030 54.000 0.220 0.000 0.873 338 D CB 0.138 41.108 40.800 0.283 0.000 0.935 338 D HN 0.422 nan 8.370 nan 0.000 0.521 339 A N 0.434 123.233 122.820 -0.036 0.000 1.877 339 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 339 A C 2.075 179.598 177.584 -0.101 0.000 1.186 339 A CA 1.006 52.894 52.037 -0.250 0.000 0.620 339 A CB -1.048 17.394 19.000 -0.931 0.000 0.822 339 A HN 0.235 nan 8.150 nan 0.000 0.443 340 Y N -1.019 119.177 120.300 -0.172 0.000 2.062 340 Y HA -0.329 4.221 4.550 -0.000 0.000 0.273 340 Y C 1.794 177.669 175.900 -0.041 0.000 1.206 340 Y CA 2.322 60.331 58.100 -0.152 0.000 1.125 340 Y CB -0.450 37.861 38.460 -0.250 0.000 0.951 340 Y HN 0.502 nan 8.280 nan 0.000 0.501 341 W N -1.930 119.493 121.300 0.205 0.000 3.103 341 W HA 0.377 5.037 4.660 -0.000 0.000 0.325 341 W C 2.236 178.840 176.519 0.141 0.000 1.170 341 W CA 0.356 57.805 57.345 0.173 0.000 1.712 341 W CB -0.426 29.185 29.460 0.251 0.000 1.068 341 W HN 0.070 nan 8.180 nan 0.000 0.592 342 A N 1.259 124.278 122.820 0.332 0.000 1.896 342 A HA -0.359 3.961 4.320 -0.000 0.000 0.220 342 A C 1.622 179.307 177.584 0.168 0.000 1.206 342 A CA 2.608 54.780 52.037 0.225 0.000 0.647 342 A CB -1.471 17.608 19.000 0.132 0.000 0.828 342 A HN 0.679 nan 8.150 nan 0.000 0.455 343 H N -3.062 115.959 119.070 -0.082 0.000 2.423 343 H HA -0.057 4.499 4.556 -0.000 0.000 0.297 343 H C 1.901 177.115 175.328 -0.190 0.000 1.075 343 H CA 1.382 57.311 56.048 -0.198 0.000 1.342 343 H CB -0.499 29.069 29.762 -0.323 0.000 1.395 343 H HN 0.694 nan 8.280 nan 0.000 0.530 344 H N 0.376 119.197 119.070 -0.415 0.000 2.395 344 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 344 H C 1.509 176.723 175.328 -0.191 0.000 1.070 344 H CA 1.118 56.857 56.048 -0.515 0.000 1.356 344 H CB 0.138 29.360 29.762 -0.900 0.000 1.401 344 H HN 0.403 nan 8.280 nan 0.000 0.524 345 D N 0.290 120.819 120.400 0.216 0.000 2.144 345 D HA -0.116 4.523 4.640 -0.000 0.000 0.199 345 D C 2.035 178.468 176.300 0.222 0.000 0.984 345 D CA 0.549 54.751 54.000 0.337 0.000 0.834 345 D CB -0.156 40.829 40.800 0.308 0.000 0.955 345 D HN 0.191 nan 8.370 nan 0.000 0.465 346 L N -0.395 120.903 121.223 0.125 0.000 2.109 346 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 346 L C 2.037 178.951 176.870 0.073 0.000 1.086 346 L CA 1.281 56.172 54.840 0.085 0.000 0.760 346 L CB -0.683 41.387 42.059 0.018 0.000 0.910 346 L HN -0.016 nan 8.230 nan 0.000 0.437 347 Y N -0.343 119.866 120.300 -0.153 0.000 2.224 347 Y HA -0.239 4.310 4.550 -0.000 0.000 0.289 347 Y C 2.314 178.276 175.900 0.104 0.000 1.146 347 Y CA 1.641 59.617 58.100 -0.207 0.000 1.182 347 Y CB -0.268 37.705 38.460 -0.813 0.000 0.983 347 Y HN 0.144 nan 8.280 nan 0.000 0.524 348 L N -0.763 120.600 121.223 0.234 0.000 2.043 348 L HA -0.313 4.027 4.340 -0.000 0.000 0.212 348 L C 2.333 179.429 176.870 0.377 0.000 1.075 348 L CA 1.618 56.692 54.840 0.391 0.000 0.752 348 L CB -0.638 41.634 42.059 0.355 0.000 0.891 348 L HN 0.301 nan 8.230 nan 0.000 0.432 349 L N -1.113 120.215 121.223 0.174 0.000 2.072 349 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 349 L C 2.859 179.707 176.870 -0.037 0.000 1.079 349 L CA 0.981 55.818 54.840 -0.005 0.000 0.752 349 L CB -0.794 41.269 42.059 0.007 0.000 0.906 349 L HN 0.199 nan 8.230 nan 0.000 0.436 350 A N -0.514 122.286 122.820 -0.033 0.000 1.902 350 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 350 A C 2.215 179.742 177.584 -0.094 0.000 1.181 350 A CA 1.648 53.650 52.037 -0.057 0.000 0.623 350 A CB -0.862 18.102 19.000 -0.059 0.000 0.818 350 A HN 0.452 nan 8.150 nan 0.000 0.443 351 Y N 0.274 120.388 120.300 -0.309 0.000 2.220 351 Y HA 0.049 4.599 4.550 -0.000 0.000 0.291 351 Y C 2.649 178.556 175.900 0.011 0.000 1.129 351 Y CA 0.982 58.974 58.100 -0.179 0.000 1.161 351 Y CB -0.389 37.950 38.460 -0.201 0.000 0.997 351 Y HN 0.303 nan 8.280 nan 0.000 0.522 352 A N -0.084 122.779 122.820 0.071 0.000 1.978 352 A HA -0.117 4.202 4.320 -0.000 0.000 0.220 352 A C 1.711 179.099 177.584 -0.326 0.000 1.170 352 A CA 1.691 53.617 52.037 -0.184 0.000 0.636 352 A CB -0.906 17.985 19.000 -0.181 0.000 0.810 352 A HN 0.492 nan 8.150 nan 0.000 0.448 353 L N 0.044 121.108 121.223 -0.265 0.000 2.872 353 L HA 0.074 4.414 4.340 -0.000 0.000 0.245 353 L C 1.831 178.481 176.870 -0.368 0.000 1.211 353 L CA -0.500 54.157 54.840 -0.305 0.000 1.013 353 L CB -0.337 41.635 42.059 -0.146 0.000 1.326 353 L HN 0.817 nan 8.230 nan 0.000 0.525 354 W N 0.433 121.473 121.300 -0.432 0.000 2.313 354 W HA -0.132 4.528 4.660 -0.000 0.000 0.293 354 W C -1.422 174.818 176.519 -0.466 0.000 1.216 354 W CA 0.643 57.688 57.345 -0.499 0.000 1.223 354 W CB -1.974 27.053 29.460 -0.720 0.000 1.138 354 W HN 0.213 nan 8.180 nan 0.000 0.535 355 P HA -0.066 nan 4.420 nan 0.000 0.237 355 P C 1.605 178.625 177.300 -0.465 0.000 1.178 355 P CA 2.572 65.064 63.100 -1.012 0.000 0.766 355 P CB -0.314 30.627 31.700 -1.265 0.000 0.876 356 T N -4.803 109.545 114.554 -0.343 0.000 3.144 356 T HA 0.315 4.665 4.350 -0.000 0.000 0.249 356 T C 0.990 175.607 174.700 -0.138 0.000 1.089 356 T CA -0.154 61.845 62.100 -0.168 0.000 0.989 356 T CB -0.312 68.525 68.868 -0.052 0.000 0.992 356 T HN -0.037 nan 8.240 nan 0.000 0.540 357 G N 1.147 109.760 108.800 -0.311 0.000 2.671 357 G HA2 0.550 4.510 3.960 -0.000 0.000 0.275 357 G HA3 0.550 4.510 3.960 -0.000 0.000 0.275 357 G C -0.305 174.359 174.900 -0.393 0.000 1.368 357 G CA -1.211 43.564 45.100 -0.542 0.000 1.044 357 G HN 0.521 nan 8.290 nan 0.000 0.543 358 F N -1.504 118.026 119.950 -0.701 0.000 2.810 358 F HA 0.608 5.135 4.527 -0.000 0.000 0.353 358 F C -0.864 174.840 175.800 -0.159 0.000 1.227 358 F CA -1.460 56.382 58.000 -0.264 0.000 1.210 358 F CB 0.104 39.079 39.000 -0.043 0.000 1.039 358 F HN 0.287 nan 8.300 nan 0.000 0.509 359 F N -1.298 118.447 119.950 -0.341 0.000 2.668 359 F HA 0.735 5.262 4.527 -0.000 0.000 0.309 359 F C -0.791 174.872 175.800 -0.229 0.000 1.117 359 F CA -2.233 55.546 58.000 -0.368 0.000 0.951 359 F CB 1.097 39.735 39.000 -0.603 0.000 1.323 359 F HN -0.223 nan 8.300 nan 0.000 0.451 360 R N 1.829 122.317 120.500 -0.020 0.000 2.312 360 R HA 0.720 5.060 4.340 -0.000 0.000 0.311 360 R C -1.093 175.229 176.300 0.037 0.000 1.004 360 R CA -0.536 55.516 56.100 -0.082 0.000 0.902 360 R CB 1.233 31.461 30.300 -0.119 0.000 1.073 360 R HN 0.614 nan 8.270 nan 0.000 0.457 361 L N 1.639 122.869 121.223 0.012 0.000 2.334 361 L HA 0.795 5.135 4.340 -0.000 0.000 0.272 361 L C -0.084 176.921 176.870 0.225 0.000 1.020 361 L CA -0.996 53.960 54.840 0.194 0.000 0.812 361 L CB 1.903 44.132 42.059 0.283 0.000 1.264 361 L HN 0.677 nan 8.230 nan 0.000 0.439 362 A N 2.178 125.188 122.820 0.317 0.000 2.435 362 A HA 0.760 5.080 4.320 -0.000 0.000 0.304 362 A C -0.898 176.787 177.584 0.169 0.000 1.064 362 A CA -0.599 51.581 52.037 0.239 0.000 0.727 362 A CB 1.338 20.436 19.000 0.163 0.000 1.284 362 A HN 0.599 nan 8.150 nan 0.000 0.415 363 L N 1.469 122.703 121.223 0.018 0.000 2.418 363 L HA 0.359 4.699 4.340 -0.000 0.000 0.265 363 L C -2.035 174.814 176.870 -0.036 0.000 1.143 363 L CA -1.849 52.885 54.840 -0.176 0.000 0.809 363 L CB 0.814 42.755 42.059 -0.196 0.000 1.124 363 L HN 0.444 nan 8.230 nan 0.000 0.456 364 P HA 0.028 nan 4.420 nan 0.000 0.267 364 P C -1.225 176.138 177.300 0.104 0.000 1.205 364 P CA -0.329 62.831 63.100 0.099 0.000 0.765 364 P CB 0.294 32.159 31.700 0.275 0.000 0.828 365 D N 1.278 121.712 120.400 0.057 0.000 2.433 365 D HA 0.020 4.660 4.640 -0.000 0.000 0.255 365 D C 1.213 177.561 176.300 0.079 0.000 1.226 365 D CA -0.358 53.675 54.000 0.055 0.000 1.015 365 D CB 0.259 41.066 40.800 0.010 0.000 1.091 365 D HN 0.377 nan 8.370 nan 0.000 0.527 366 Q N -0.580 119.262 119.800 0.071 0.000 2.050 366 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 366 Q C 1.885 177.919 176.000 0.057 0.000 0.980 366 Q CA 1.798 57.649 55.803 0.080 0.000 0.840 366 Q CB -0.126 28.648 28.738 0.060 0.000 0.898 366 Q HN 0.643 nan 8.270 nan 0.000 0.424 367 E N -0.112 120.097 120.200 0.016 0.000 2.130 367 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 367 E C 1.840 178.434 176.600 -0.010 0.000 0.998 367 E CA 1.609 58.006 56.400 -0.004 0.000 0.806 367 E CB 0.068 29.741 29.700 -0.045 0.000 0.738 367 E HN 0.490 nan 8.360 nan 0.000 0.459 368 E N -0.223 119.949 120.200 -0.048 0.000 2.072 368 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 368 E C 2.164 178.775 176.600 0.018 0.000 0.985 368 E CA 1.074 57.408 56.400 -0.111 0.000 0.801 368 E CB -0.071 29.550 29.700 -0.132 0.000 0.750 368 E HN 0.337 nan 8.360 nan 0.000 0.452 369 M N 0.590 120.271 119.600 0.136 0.000 2.159 369 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 369 M C 1.972 178.360 176.300 0.148 0.000 1.063 369 M CA 1.458 56.876 55.300 0.198 0.000 1.110 369 M CB -0.374 32.469 32.600 0.406 0.000 1.374 369 M HN 0.107 nan 8.290 nan 0.000 0.411 370 E N -0.600 119.666 120.200 0.110 0.000 2.072 370 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 370 E C 1.675 178.312 176.600 0.062 0.000 0.985 370 E CA 1.391 57.839 56.400 0.080 0.000 0.801 370 E CB -0.231 29.503 29.700 0.056 0.000 0.750 370 E HN 0.586 nan 8.360 nan 0.000 0.452 371 W N 0.765 121.974 121.300 -0.151 0.000 2.355 371 W HA -0.189 4.471 4.660 -0.000 0.000 0.309 371 W C 1.679 178.058 176.519 -0.233 0.000 1.206 371 W CA 1.539 58.748 57.345 -0.227 0.000 1.284 371 W CB -0.442 28.802 29.460 -0.359 0.000 1.145 371 W HN -0.030 nan 8.180 nan 0.000 0.502 372 F N 0.681 120.557 119.950 -0.123 0.000 2.069 372 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 372 F C 2.554 178.189 175.800 -0.275 0.000 1.113 372 F CA 1.853 59.569 58.000 -0.473 0.000 1.214 372 F CB -0.882 37.226 39.000 -1.487 0.000 0.978 372 F HN -0.126 nan 8.300 nan 0.000 0.474 373 E N 0.776 121.050 120.200 0.124 0.000 2.085 373 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 373 E C 2.070 178.733 176.600 0.106 0.000 0.994 373 E CA 1.438 58.007 56.400 0.281 0.000 0.801 373 E CB -0.457 29.434 29.700 0.319 0.000 0.743 373 E HN 0.275 nan 8.360 nan 0.000 0.453 374 A N 0.800 123.594 122.820 -0.044 0.000 1.883 374 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 374 A C 2.027 179.469 177.584 -0.237 0.000 1.186 374 A CA 1.925 53.883 52.037 -0.132 0.000 0.624 374 A CB -0.677 18.208 19.000 -0.192 0.000 0.822 374 A HN 0.334 nan 8.150 nan 0.000 0.444 375 N N -1.979 116.444 118.700 -0.462 0.000 2.424 375 N HA 0.028 4.768 4.740 -0.000 0.000 0.178 375 N C -0.770 174.334 175.510 -0.677 0.000 1.060 375 N CA 0.657 53.304 53.050 -0.671 0.000 0.901 375 N CB 0.194 37.987 38.487 -1.157 0.000 0.979 375 N HN 0.590 nan 8.380 nan 0.000 0.451 376 Y N 0.186 120.439 120.300 -0.078 0.000 2.535 376 Y HA 0.354 4.904 4.550 -0.000 0.000 0.351 376 Y C -2.468 173.617 175.900 0.308 0.000 1.050 376 Y CA -2.096 56.036 58.100 0.054 0.000 1.168 376 Y CB 1.235 39.658 38.460 -0.061 0.000 1.116 376 Y HN -0.147 nan 8.280 nan 0.000 0.654 377 P HA 0.046 nan 4.420 nan 0.000 0.258 377 P C 0.989 178.618 177.300 0.548 0.000 1.172 377 P CA 1.869 65.193 63.100 0.373 0.000 0.762 377 P CB 0.477 32.320 31.700 0.239 0.000 0.764 378 G N 2.386 111.478 108.800 0.487 0.000 2.211 378 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.201 378 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.201 378 G C 0.814 175.944 174.900 0.383 0.000 0.997 378 G CA -0.039 45.297 45.100 0.394 0.000 0.652 378 G HN 0.520 nan 8.290 nan 0.000 0.500 379 W N 0.536 122.091 121.300 0.426 0.000 2.355 379 W HA 0.013 4.673 4.660 -0.000 0.000 0.309 379 W C 2.158 178.837 176.519 0.267 0.000 1.206 379 W CA 2.496 60.074 57.345 0.389 0.000 1.284 379 W CB -0.325 29.328 29.460 0.323 0.000 1.145 379 W HN 0.326 nan 8.180 nan 0.000 0.502 380 Y N 1.395 121.992 120.300 0.495 0.000 2.181 380 Y HA -0.287 4.263 4.550 -0.000 0.000 0.288 380 Y C 2.211 178.089 175.900 -0.036 0.000 1.146 380 Y CA 2.426 60.685 58.100 0.266 0.000 1.164 380 Y CB -0.589 38.068 38.460 0.328 0.000 0.982 380 Y HN -0.124 nan 8.280 nan 0.000 0.515 381 D N -1.417 118.912 120.400 -0.118 0.000 2.263 381 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 381 D C 1.405 177.461 176.300 -0.407 0.000 0.971 381 D CA 1.660 55.510 54.000 -0.250 0.000 0.867 381 D CB -0.116 40.655 40.800 -0.049 0.000 0.929 381 D HN 0.541 nan 8.370 nan 0.000 0.492 382 H N -0.936 117.770 119.070 -0.607 0.000 2.292 382 H HA 0.024 4.580 4.556 -0.000 0.000 0.325 382 H C 1.672 176.359 175.328 -1.068 0.000 1.119 382 H CA 0.990 56.528 56.048 -0.850 0.000 1.617 382 H CB -0.299 28.803 29.762 -1.101 0.000 1.502 382 H HN -0.053 nan 8.280 nan 0.000 0.615 383 Y N 0.090 119.754 120.300 -1.061 0.000 2.163 383 Y HA 0.006 4.556 4.550 -0.000 0.000 0.288 383 Y C 2.819 177.872 175.900 -1.412 0.000 1.136 383 Y CA 0.979 58.240 58.100 -1.399 0.000 1.147 383 Y CB -0.938 36.661 38.460 -1.435 0.000 0.987 383 Y HN 0.405 nan 8.280 nan 0.000 0.509 384 G N 0.747 108.800 108.800 -1.245 0.000 2.599 384 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 384 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 384 G C 1.622 176.154 174.900 -0.615 0.000 1.193 384 G CA 1.571 46.278 45.100 -0.655 0.000 0.778 384 G HN 0.351 nan 8.290 nan 0.000 0.589 385 K N -0.070 119.783 120.400 -0.912 0.000 2.097 385 K HA 0.030 4.350 4.320 -0.000 0.000 0.206 385 K C 2.509 178.743 176.600 -0.609 0.000 1.049 385 K CA 0.990 56.888 56.287 -0.649 0.000 0.933 385 K CB -0.242 31.901 32.500 -0.596 0.000 0.717 385 K HN 0.376 nan 8.250 nan 0.000 0.442 386 I N 0.087 120.113 120.570 -0.908 0.000 2.226 386 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 386 I C 2.011 177.351 176.117 -1.296 0.000 1.100 386 I CA 1.548 62.093 61.300 -1.258 0.000 1.374 386 I CB -0.373 36.591 38.000 -1.726 0.000 1.057 386 I HN 0.177 nan 8.210 nan 0.000 0.413 387 Y N 0.890 120.673 120.300 -0.861 0.000 2.224 387 Y HA -0.230 4.320 4.550 -0.000 0.000 0.289 387 Y C 2.585 178.356 175.900 -0.215 0.000 1.146 387 Y CA 0.919 58.710 58.100 -0.515 0.000 1.182 387 Y CB -0.147 38.155 38.460 -0.263 0.000 0.983 387 Y HN 0.200 nan 8.280 nan 0.000 0.524 388 E N 0.087 120.254 120.200 -0.056 0.000 2.107 388 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 388 E C 2.009 178.615 176.600 0.010 0.000 0.982 388 E CA 0.893 57.311 56.400 0.031 0.000 0.809 388 E CB -0.047 29.682 29.700 0.047 0.000 0.756 388 E HN 0.486 nan 8.360 nan 0.000 0.459 389 E N 0.111 120.244 120.200 -0.112 0.000 2.058 389 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 389 E C 1.643 178.317 176.600 0.123 0.000 0.997 389 E CA 1.219 57.590 56.400 -0.048 0.000 0.801 389 E CB 0.001 29.609 29.700 -0.154 0.000 0.746 389 E HN 0.282 nan 8.360 nan 0.000 0.450 390 W N 0.976 122.248 121.300 -0.047 0.000 2.355 390 W HA -0.105 4.555 4.660 -0.000 0.000 0.309 390 W C 2.550 179.199 176.519 0.217 0.000 1.206 390 W CA 0.967 58.407 57.345 0.158 0.000 1.284 390 W CB -1.093 28.519 29.460 0.252 0.000 1.145 390 W HN 0.185 nan 8.180 nan 0.000 0.502 391 R N 0.684 121.418 120.500 0.390 0.000 2.120 391 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 391 R C 2.231 178.654 176.300 0.205 0.000 1.123 391 R CA 1.910 58.184 56.100 0.290 0.000 0.975 391 R CB -0.541 29.884 30.300 0.209 0.000 0.866 391 R HN -0.004 nan 8.270 nan 0.000 0.446 392 A N 1.088 123.996 122.820 0.147 0.000 1.902 392 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 392 A C 1.992 179.608 177.584 0.054 0.000 1.181 392 A CA 1.310 53.398 52.037 0.085 0.000 0.623 392 A CB -0.379 18.653 19.000 0.053 0.000 0.818 392 A HN 0.362 nan 8.150 nan 0.000 0.443 393 R N -1.116 119.386 120.500 0.003 0.000 2.339 393 R HA 0.126 4.466 4.340 -0.000 0.000 0.199 393 R C 1.015 177.344 176.300 0.048 0.000 1.018 393 R CA 0.514 56.532 56.100 -0.138 0.000 1.036 393 R CB -0.270 29.631 30.300 -0.664 0.000 0.899 393 R HN 0.742 nan 8.270 nan 0.000 0.473 394 G N 1.195 110.114 108.800 0.197 0.000 2.203 394 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.231 394 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.231 394 G C 0.897 176.094 174.900 0.494 0.000 1.058 394 G CA 0.115 45.386 45.100 0.286 0.000 0.781 394 G HN 0.492 nan 8.290 nan 0.000 0.496 395 C N -1.418 118.251 119.300 0.614 0.000 2.419 395 C HA 0.164 4.624 4.460 -0.000 0.000 0.283 395 C C 2.011 177.287 174.990 0.477 0.000 1.373 395 C CA 1.570 60.961 59.018 0.621 0.000 1.781 395 C CB -0.537 27.558 27.740 0.593 0.000 1.886 395 C HN 0.643 nan 8.230 nan 0.000 0.520 396 E N 0.583 121.051 120.200 0.447 0.000 2.340 396 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 396 E C 0.184 177.142 176.600 0.596 0.000 0.996 396 E CA 0.163 56.821 56.400 0.431 0.000 0.869 396 E CB -0.033 29.837 29.700 0.284 0.000 0.835 396 E HN 0.628 nan 8.360 nan 0.000 0.493 397 D N 1.405 122.075 120.400 0.450 0.000 2.274 397 D HA 0.051 4.691 4.640 -0.000 0.000 0.239 397 D C -1.666 174.553 176.300 -0.135 0.000 1.104 397 D CA -2.324 51.788 54.000 0.186 0.000 0.840 397 D CB 1.634 42.487 40.800 0.088 0.000 1.100 397 D HN -0.131 nan 8.370 nan 0.000 0.477 398 P HA -0.107 nan 4.420 nan 0.000 0.231 398 P C 0.854 177.705 177.300 -0.749 0.000 1.158 398 P CA 0.603 62.738 63.100 -1.608 0.000 0.763 398 P CB 0.252 31.154 31.700 -1.330 0.000 0.805 399 S N -1.223 114.257 115.700 -0.367 0.000 2.535 399 S HA 0.018 4.488 4.470 -0.000 0.000 0.214 399 S C 1.908 176.454 174.600 -0.090 0.000 0.980 399 S CA 0.450 58.536 58.200 -0.190 0.000 0.907 399 S CB -0.926 62.204 63.200 -0.117 0.000 0.790 399 S HN 0.220 nan 8.310 nan 0.000 0.510 400 S N 1.332 117.006 115.700 -0.042 0.000 2.453 400 S HA 0.255 4.725 4.470 -0.000 0.000 0.231 400 S C 1.840 176.526 174.600 0.144 0.000 1.005 400 S CA 0.727 58.983 58.200 0.094 0.000 0.949 400 S CB -1.238 62.098 63.200 0.226 0.000 0.774 400 S HN 1.541 nan 8.310 nan 0.000 0.510 401 G N 0.789 109.657 108.800 0.114 0.000 2.179 401 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 401 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 401 G C -0.264 174.811 174.900 0.293 0.000 1.010 401 G CA 0.479 45.671 45.100 0.152 0.000 0.736 401 G HN 0.718 nan 8.290 nan 0.000 0.513 402 F N 0.021 120.109 119.950 0.231 0.000 2.495 402 F HA 0.823 5.350 4.527 -0.000 0.000 0.327 402 F C -0.431 175.528 175.800 0.265 0.000 1.103 402 F CA -2.077 56.049 58.000 0.211 0.000 0.949 402 F CB 1.341 40.450 39.000 0.183 0.000 1.142 402 F HN 0.029 nan 8.300 nan 0.000 0.457 403 I N 8.145 128.186 120.570 -0.881 0.000 2.571 403 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 403 I C -1.915 173.466 176.117 -1.227 0.000 1.115 403 I CA -2.330 58.473 61.300 -0.827 0.000 1.045 403 I CB 2.879 40.592 38.000 -0.479 0.000 1.238 403 I HN 0.437 nan 8.210 nan 0.000 0.424 404 P HA -0.236 nan 4.420 nan 0.000 0.218 404 P C 1.491 178.595 177.300 -0.327 0.000 1.147 404 P CA 0.997 63.455 63.100 -1.070 0.000 0.827 404 P CB 0.197 31.088 31.700 -1.348 0.000 0.778 405 L N -1.511 119.518 121.223 -0.324 0.000 2.079 405 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 405 L C 2.185 179.074 176.870 0.033 0.000 1.081 405 L CA 1.895 56.656 54.840 -0.133 0.000 0.752 405 L CB -1.149 40.739 42.059 -0.285 0.000 0.896 405 L HN -0.054 nan 8.230 nan 0.000 0.433 406 M N -2.446 117.119 119.600 -0.059 0.000 2.108 406 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 406 M C 2.111 178.552 176.300 0.234 0.000 1.066 406 M CA 2.275 57.615 55.300 0.067 0.000 1.107 406 M CB -0.714 31.945 32.600 0.097 0.000 1.356 406 M HN 0.491 nan 8.290 nan 0.000 0.406 407 W N 0.415 121.821 121.300 0.177 0.000 2.342 407 W HA -0.210 4.450 4.660 -0.000 0.000 0.297 407 W C 1.568 178.168 176.519 0.135 0.000 1.213 407 W CA 1.465 58.945 57.345 0.226 0.000 1.251 407 W CB -0.255 29.403 29.460 0.331 0.000 1.136 407 W HN 0.063 nan 8.180 nan 0.000 0.526 408 F N 0.170 120.306 119.950 0.309 0.000 2.186 408 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 408 F C 2.226 177.960 175.800 -0.109 0.000 1.090 408 F CA 1.603 59.686 58.000 0.139 0.000 1.307 408 F CB -0.845 38.271 39.000 0.194 0.000 1.019 408 F HN -0.171 nan 8.300 nan 0.000 0.489 409 I N -0.056 120.559 120.570 0.075 0.000 2.133 409 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 409 I C 2.206 178.231 176.117 -0.153 0.000 1.074 409 I CA 1.475 62.740 61.300 -0.058 0.000 1.342 409 I CB -0.630 37.336 38.000 -0.055 0.000 1.053 409 I HN 0.104 nan 8.210 nan 0.000 0.404 410 E N 0.972 121.080 120.200 -0.154 0.000 2.147 410 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 410 E C 0.964 177.362 176.600 -0.337 0.000 1.005 410 E CA 1.663 57.939 56.400 -0.206 0.000 0.810 410 E CB -0.336 29.266 29.700 -0.164 0.000 0.736 410 E HN 0.519 nan 8.360 nan 0.000 0.460 411 N N 0.901 119.282 118.700 -0.532 0.000 2.295 411 N HA 0.015 4.755 4.740 -0.000 0.000 0.221 411 N C -0.675 174.357 175.510 -0.797 0.000 1.129 411 N CA -0.074 52.560 53.050 -0.693 0.000 0.836 411 N CB 0.290 38.173 38.487 -1.007 0.000 1.040 411 N HN 0.043 nan 8.380 nan 0.000 0.494 412 N N 1.591 119.988 118.700 -0.505 0.000 2.650 412 N HA -0.259 4.481 4.740 -0.000 0.000 0.272 412 N C -1.507 173.714 175.510 -0.483 0.000 1.058 412 N CA 0.840 53.645 53.050 -0.408 0.000 0.765 412 N CB -1.288 36.999 38.487 -0.334 0.000 0.902 412 N HN 0.583 nan 8.380 nan 0.000 0.551 413 H N 0.695 119.692 119.070 -0.122 0.000 2.569 413 H HA 0.303 4.859 4.556 -0.000 0.000 0.247 413 H C -2.103 173.233 175.328 0.012 0.000 1.346 413 H CA -1.355 54.678 56.048 -0.024 0.000 1.502 413 H CB 1.109 30.874 29.762 0.006 0.000 1.512 413 H HN 0.258 nan 8.280 nan 0.000 0.502 414 P HA 0.055 nan 4.420 nan 0.000 0.271 414 P C -0.173 176.801 177.300 -0.544 0.000 1.218 414 P CA 0.114 62.994 63.100 -0.368 0.000 0.780 414 P CB 1.726 33.123 31.700 -0.506 0.000 0.901 415 I N 3.176 123.377 120.570 -0.615 0.000 2.362 415 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 415 I C 0.023 175.814 176.117 -0.545 0.000 0.994 415 I CA -0.832 60.182 61.300 -0.476 0.000 1.158 415 I CB 0.746 38.623 38.000 -0.206 0.000 1.315 415 I HN 0.313 nan 8.210 nan 0.000 0.451 416 Y N 5.549 125.673 120.300 -0.294 0.000 2.534 416 Y HA 0.569 5.119 4.550 -0.000 0.000 0.329 416 Y C 0.060 175.969 175.900 0.015 0.000 1.154 416 Y CA -1.222 56.738 58.100 -0.232 0.000 1.192 416 Y CB 1.713 39.816 38.460 -0.594 0.000 1.275 416 Y HN 0.235 nan 8.280 nan 0.000 0.491 417 I N 1.513 122.305 120.570 0.369 0.000 2.389 417 I HA 0.103 4.273 4.170 -0.000 0.000 0.288 417 I C -0.673 175.634 176.117 0.317 0.000 0.999 417 I CA -0.841 60.644 61.300 0.307 0.000 1.129 417 I CB 1.118 39.186 38.000 0.114 0.000 1.288 417 I HN 0.663 nan 8.210 nan 0.000 0.444 418 D N 4.635 125.228 120.400 0.321 0.000 2.434 418 D HA -0.018 4.622 4.640 -0.000 0.000 0.252 418 D C 1.342 177.592 176.300 -0.084 0.000 1.185 418 D CA 0.119 54.151 54.000 0.052 0.000 0.886 418 D CB 0.932 41.683 40.800 -0.082 0.000 1.148 418 D HN 0.362 nan 8.370 nan 0.000 0.483 419 R N 3.031 123.353 120.500 -0.296 0.000 2.139 419 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 419 R C 1.255 177.508 176.300 -0.078 0.000 1.145 419 R CA 1.601 57.551 56.100 -0.250 0.000 0.976 419 R CB -0.480 29.491 30.300 -0.550 0.000 0.866 419 R HN 0.462 nan 8.270 nan 0.000 0.449 420 V N -0.557 119.294 119.914 -0.104 0.000 2.278 420 V HA -0.103 4.017 4.120 -0.000 0.000 0.238 420 V C 2.077 178.159 176.094 -0.020 0.000 1.039 420 V CA 1.789 64.028 62.300 -0.102 0.000 1.017 420 V CB -0.419 31.277 31.823 -0.210 0.000 0.657 420 V HN 0.596 nan 8.190 nan 0.000 0.462 421 S N -1.289 114.401 115.700 -0.017 0.000 2.489 421 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 421 S C 1.210 175.785 174.600 -0.042 0.000 0.995 421 S CA 0.704 58.891 58.200 -0.022 0.000 0.934 421 S CB -0.056 63.142 63.200 -0.004 0.000 0.771 421 S HN 0.574 nan 8.310 nan 0.000 0.522 422 Q N -1.024 118.764 119.800 -0.021 0.000 2.374 422 Q HA -0.123 4.217 4.340 -0.000 0.000 0.218 422 Q C -0.318 175.708 176.000 0.044 0.000 0.691 422 Q CA 0.894 56.685 55.803 -0.020 0.000 1.340 422 Q CB -2.766 25.913 28.738 -0.098 0.000 1.498 422 Q HN 0.582 nan 8.270 nan 0.000 0.739 423 V N 2.853 122.813 119.914 0.077 0.000 2.508 423 V HA 0.183 4.303 4.120 -0.000 0.000 0.281 423 V C -1.811 174.411 176.094 0.213 0.000 1.041 423 V CA -0.836 61.535 62.300 0.120 0.000 1.016 423 V CB 0.753 32.615 31.823 0.065 0.000 0.984 423 V HN -0.029 nan 8.190 nan 0.000 0.478 424 P HA 0.329 nan 4.420 nan 0.000 0.271 424 P C -0.949 176.587 177.300 0.394 0.000 1.216 424 P CA 0.047 63.305 63.100 0.263 0.000 0.776 424 P CB 0.340 32.122 31.700 0.136 0.000 0.881 425 F N 0.617 120.652 119.950 0.142 0.000 2.619 425 F HA 0.577 5.104 4.527 -0.000 0.000 0.308 425 F C -1.693 174.217 175.800 0.183 0.000 1.097 425 F CA -1.628 56.469 58.000 0.162 0.000 0.953 425 F CB 0.619 39.723 39.000 0.173 0.000 1.287 425 F HN 0.332 nan 8.300 nan 0.000 0.446 426 C N 6.648 126.060 119.300 0.186 0.000 2.521 426 C HA 0.486 4.946 4.460 -0.000 0.000 0.291 426 C C -1.203 173.906 174.990 0.198 0.000 1.074 426 C CA -1.583 57.493 59.018 0.097 0.000 1.495 426 C CB 0.155 28.016 27.740 0.202 0.000 1.862 426 C HN 0.771 nan 8.230 nan 0.000 0.418 427 P HA -0.121 nan 4.420 nan 0.000 0.218 427 P C 1.367 178.781 177.300 0.189 0.000 1.149 427 P CA 1.749 65.014 63.100 0.275 0.000 0.817 427 P CB 0.070 31.978 31.700 0.346 0.000 0.785 428 S N -1.342 114.469 115.700 0.184 0.000 2.515 428 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 428 S C 1.699 176.352 174.600 0.088 0.000 0.987 428 S CA 0.544 58.857 58.200 0.189 0.000 0.936 428 S CB -0.825 62.559 63.200 0.306 0.000 0.766 428 S HN 0.106 nan 8.310 nan 0.000 0.528 429 L N 0.309 121.525 121.223 -0.011 0.000 2.948 429 L HA 0.603 4.943 4.340 -0.000 0.000 0.259 429 L C 0.861 177.723 176.870 -0.013 0.000 1.136 429 L CA 0.207 54.955 54.840 -0.152 0.000 0.959 429 L CB -0.121 41.709 42.059 -0.381 0.000 1.370 429 L HN 0.274 nan 8.230 nan 0.000 0.552 430 A N 0.037 122.891 122.820 0.057 0.000 2.492 430 A HA 0.104 4.424 4.320 -0.000 0.000 0.236 430 A C 1.146 178.666 177.584 -0.107 0.000 1.078 430 A CA 0.592 52.668 52.037 0.065 0.000 0.773 430 A CB 0.185 19.284 19.000 0.165 0.000 1.023 430 A HN 0.346 nan 8.150 nan 0.000 0.504 431 K N 0.447 120.747 120.400 -0.166 0.000 2.425 431 K HA 0.171 4.491 4.320 -0.000 0.000 0.201 431 K C 1.258 177.815 176.600 -0.071 0.000 1.128 431 K CA 0.654 56.695 56.287 -0.410 0.000 1.000 431 K CB 0.302 32.203 32.500 -0.999 0.000 0.961 431 K HN 0.841 nan 8.250 nan 0.000 0.555 432 G N 0.840 109.749 108.800 0.181 0.000 3.372 432 G HA2 0.362 4.322 3.960 -0.000 0.000 0.178 432 G HA3 0.362 4.322 3.960 -0.000 0.000 0.178 432 G C -0.527 174.514 174.900 0.234 0.000 1.817 432 G CA -0.031 45.269 45.100 0.332 0.000 0.996 432 G HN 0.237 nan 8.290 nan 0.000 0.559 433 A N -0.247 122.716 122.820 0.237 0.000 2.488 433 A HA 0.482 4.802 4.320 -0.000 0.000 0.249 433 A C 0.908 178.617 177.584 0.209 0.000 1.083 433 A CA 0.687 52.853 52.037 0.214 0.000 0.768 433 A CB 0.314 19.447 19.000 0.222 0.000 1.017 433 A HN 1.245 nan 8.150 nan 0.000 0.496 434 S N 1.281 117.093 115.700 0.187 0.000 2.855 434 S HA 0.214 4.684 4.470 -0.000 0.000 0.249 434 S C 0.389 175.111 174.600 0.202 0.000 1.033 434 S CA -0.053 58.266 58.200 0.198 0.000 1.038 434 S CB -0.146 63.138 63.200 0.139 0.000 0.960 434 S HN 0.635 nan 8.310 nan 0.000 0.548 435 T N 2.805 117.473 114.554 0.190 0.000 2.899 435 T HA 0.618 4.968 4.350 -0.000 0.000 0.295 435 T C -0.967 173.864 174.700 0.218 0.000 1.033 435 T CA -0.018 62.176 62.100 0.156 0.000 1.084 435 T CB 0.776 69.707 68.868 0.105 0.000 0.979 435 T HN 0.436 nan 8.240 nan 0.000 0.532 436 L N 3.633 124.956 121.223 0.166 0.000 2.543 436 L HA 0.655 4.995 4.340 -0.000 0.000 0.265 436 L C -1.505 175.381 176.870 0.025 0.000 0.945 436 L CA -0.479 54.468 54.840 0.178 0.000 0.869 436 L CB 1.860 44.027 42.059 0.179 0.000 1.294 436 L HN 0.503 nan 8.230 nan 0.000 0.405 437 R N 3.725 124.210 120.500 -0.024 0.000 2.476 437 R HA 0.818 5.158 4.340 -0.000 0.000 0.305 437 R C -1.417 174.720 176.300 -0.272 0.000 0.965 437 R CA -0.552 55.443 56.100 -0.175 0.000 0.867 437 R CB 2.313 32.482 30.300 -0.219 0.000 1.176 437 R HN 0.405 nan 8.270 nan 0.000 0.447 438 V N 3.266 122.935 119.914 -0.408 0.000 2.495 438 V HA 0.483 4.603 4.120 -0.000 0.000 0.298 438 V C -0.254 175.658 176.094 -0.303 0.000 1.031 438 V CA -0.753 61.281 62.300 -0.444 0.000 0.871 438 V CB 1.489 32.863 31.823 -0.748 0.000 0.988 438 V HN 0.782 nan 8.190 nan 0.000 0.432 439 H N 1.961 120.993 119.070 -0.063 0.000 2.834 439 H HA 0.642 5.198 4.556 -0.000 0.000 0.369 439 H C -0.879 174.466 175.328 0.027 0.000 1.174 439 H CA -0.788 55.261 56.048 0.001 0.000 1.165 439 H CB 2.653 32.429 29.762 0.022 0.000 1.820 439 H HN 0.624 nan 8.280 nan 0.000 0.558 440 E N 1.678 122.026 120.200 0.246 0.000 2.256 440 E HA 0.212 4.562 4.350 -0.000 0.000 0.268 440 E C -1.925 174.876 176.600 0.334 0.000 0.877 440 E CA -0.766 55.752 56.400 0.197 0.000 0.757 440 E CB 2.310 32.072 29.700 0.104 0.000 1.183 440 E HN 0.546 nan 8.360 nan 0.000 0.418 441 Y N 4.306 124.758 120.300 0.254 0.000 2.362 441 Y HA 0.197 4.747 4.550 -0.000 0.000 0.326 441 Y C -0.229 175.819 175.900 0.246 0.000 1.083 441 Y CA -0.511 57.769 58.100 0.300 0.000 1.073 441 Y CB 1.058 39.846 38.460 0.546 0.000 1.211 441 Y HN 0.875 nan 8.280 nan 0.000 0.433 442 N N 4.626 123.205 118.700 -0.201 0.000 2.688 442 N HA -0.226 4.514 4.740 -0.000 0.000 0.258 442 N C 0.786 176.319 175.510 0.038 0.000 1.016 442 N CA 0.988 53.967 53.050 -0.120 0.000 0.747 442 N CB -0.850 37.550 38.487 -0.144 0.000 0.895 442 N HN 1.501 nan 8.380 nan 0.000 0.543 443 G N -0.408 108.412 108.800 0.033 0.000 2.155 443 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 443 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 443 G C -0.204 174.722 174.900 0.043 0.000 0.983 443 G CA 0.825 45.948 45.100 0.038 0.000 0.676 443 G HN 0.755 nan 8.290 nan 0.000 0.528 444 E N -0.329 119.908 120.200 0.061 0.000 2.314 444 E HA 0.714 5.064 4.350 -0.000 0.000 0.272 444 E C 0.148 176.617 176.600 -0.217 0.000 0.884 444 E CA -0.988 55.381 56.400 -0.052 0.000 0.753 444 E CB 0.746 30.455 29.700 0.015 0.000 1.213 444 E HN 0.088 nan 8.360 nan 0.000 0.432 445 M N 3.100 122.500 119.600 -0.334 0.000 2.367 445 M HA 0.373 4.853 4.480 -0.000 0.000 0.339 445 M C -0.632 175.261 176.300 -0.678 0.000 1.177 445 M CA -0.448 54.643 55.300 -0.349 0.000 1.068 445 M CB 1.310 33.799 32.600 -0.184 0.000 1.602 445 M HN 0.526 nan 8.290 nan 0.000 0.457 446 H N 0.868 119.822 119.070 -0.193 0.000 2.771 446 H HA 0.403 4.959 4.556 -0.000 0.000 0.361 446 H C -0.548 174.483 175.328 -0.495 0.000 1.108 446 H CA -0.534 55.273 56.048 -0.402 0.000 1.201 446 H CB 1.885 31.295 29.762 -0.586 0.000 1.681 446 H HN 0.614 nan 8.280 nan 0.000 0.534 447 T N 0.611 114.829 114.554 -0.559 0.000 2.792 447 T HA 0.661 5.011 4.350 -0.000 0.000 0.280 447 T C -0.579 173.715 174.700 -0.677 0.000 0.990 447 T CA -0.663 61.152 62.100 -0.475 0.000 0.960 447 T CB 0.466 69.150 68.868 -0.307 0.000 0.939 447 T HN 0.179 nan 8.240 nan 0.000 0.439 448 F N 1.474 121.359 119.950 -0.108 0.000 2.546 448 F HA 0.562 5.089 4.527 -0.000 0.000 0.320 448 F C 1.392 177.089 175.800 -0.173 0.000 1.076 448 F CA -1.229 56.691 58.000 -0.133 0.000 0.928 448 F CB 2.446 41.334 39.000 -0.187 0.000 1.189 448 F HN 0.733 nan 8.300 nan 0.000 0.465 449 S N -1.282 114.245 115.700 -0.288 0.000 2.523 449 S HA 0.270 4.740 4.470 -0.000 0.000 0.217 449 S C -0.481 174.051 174.600 -0.114 0.000 0.996 449 S CA 0.159 58.014 58.200 -0.575 0.000 0.921 449 S CB -0.645 61.703 63.200 -1.419 0.000 0.829 449 S HN 0.746 nan 8.310 nan 0.000 0.495 450 D N -0.585 119.832 120.400 0.027 0.000 2.639 450 D HA 0.202 4.842 4.640 -0.000 0.000 0.271 450 D C 0.627 176.897 176.300 -0.050 0.000 1.254 450 D CA -0.762 53.286 54.000 0.080 0.000 0.810 450 D CB 0.533 41.526 40.800 0.321 0.000 1.351 450 D HN 0.003 nan 8.370 nan 0.000 0.427 451 Q N -0.347 119.308 119.800 -0.241 0.000 2.230 451 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 451 Q C 0.525 176.182 176.000 -0.573 0.000 0.963 451 Q CA 0.819 56.346 55.803 -0.459 0.000 0.866 451 Q CB -0.188 28.169 28.738 -0.636 0.000 0.931 451 Q HN 0.704 nan 8.270 nan 0.000 0.452 452 W N 1.215 122.291 121.300 -0.374 0.000 2.443 452 W HA 0.217 4.877 4.660 -0.000 0.000 0.296 452 W C 2.526 178.922 176.519 -0.206 0.000 1.202 452 W CA 0.740 57.823 57.345 -0.437 0.000 1.312 452 W CB -0.638 28.174 29.460 -1.080 0.000 1.120 452 W HN 0.269 nan 8.180 nan 0.000 0.536 453 G N 0.129 109.004 108.800 0.125 0.000 2.408 453 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 453 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 453 G C 1.378 176.351 174.900 0.122 0.000 1.150 453 G CA 1.112 46.323 45.100 0.185 0.000 0.776 453 G HN 0.355 nan 8.290 nan 0.000 0.542 454 E N 0.359 120.544 120.200 -0.025 0.000 2.072 454 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 454 E C 2.448 178.910 176.600 -0.229 0.000 0.985 454 E CA 0.812 56.974 56.400 -0.397 0.000 0.801 454 E CB -0.152 29.269 29.700 -0.464 0.000 0.750 454 E HN 0.453 nan 8.360 nan 0.000 0.452 455 R N 0.123 120.541 120.500 -0.137 0.000 2.073 455 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 455 R C 2.441 178.743 176.300 0.004 0.000 1.134 455 R CA 1.738 57.792 56.100 -0.076 0.000 0.952 455 R CB -0.203 30.053 30.300 -0.074 0.000 0.850 455 R HN 0.220 nan 8.270 nan 0.000 0.433 456 M N -0.796 118.833 119.600 0.049 0.000 2.082 456 M HA -0.251 4.229 4.480 -0.000 0.000 0.258 456 M C 2.078 178.453 176.300 0.125 0.000 1.069 456 M CA 2.141 57.498 55.300 0.095 0.000 1.102 456 M CB -0.604 32.013 32.600 0.028 0.000 1.336 456 M HN 0.344 nan 8.290 nan 0.000 0.404 457 W N 1.237 122.497 121.300 -0.068 0.000 2.354 457 W HA -0.147 4.513 4.660 -0.000 0.000 0.315 457 W C 1.917 178.397 176.519 -0.066 0.000 1.206 457 W CA 1.408 58.766 57.345 0.021 0.000 1.290 457 W CB -0.348 29.200 29.460 0.146 0.000 1.152 457 W HN 0.035 nan 8.180 nan 0.000 0.489 458 L N 0.518 121.791 121.223 0.084 0.000 2.043 458 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 458 L C 2.606 179.313 176.870 -0.272 0.000 1.075 458 L CA 1.715 56.480 54.840 -0.124 0.000 0.752 458 L CB -1.324 40.717 42.059 -0.030 0.000 0.891 458 L HN 0.151 nan 8.230 nan 0.000 0.432 459 A N -0.735 121.994 122.820 -0.152 0.000 2.021 459 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 459 A C 1.086 178.579 177.584 -0.151 0.000 1.163 459 A CA 0.806 52.769 52.037 -0.123 0.000 0.676 459 A CB -0.024 18.953 19.000 -0.038 0.000 0.818 459 A HN 0.459 nan 8.150 nan 0.000 0.453 460 E N -0.591 119.513 120.200 -0.160 0.000 4.129 460 E HA 0.116 4.466 4.350 -0.000 0.000 0.222 460 E C -2.116 174.320 176.600 -0.274 0.000 1.179 460 E CA -1.527 54.786 56.400 -0.144 0.000 1.334 460 E CB 1.088 30.803 29.700 0.024 0.000 1.202 460 E HN 0.336 nan 8.360 nan 0.000 0.428 461 P HA -0.259 nan 4.420 nan 0.000 0.217 461 P C 1.132 178.177 177.300 -0.425 0.000 1.148 461 P CA 1.388 63.876 63.100 -1.020 0.000 0.828 461 P CB 0.391 31.275 31.700 -1.359 0.000 0.783 462 E N 0.659 120.694 120.200 -0.275 0.000 2.481 462 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 462 E C 1.730 178.229 176.600 -0.168 0.000 1.047 462 E CA 0.460 56.769 56.400 -0.151 0.000 0.867 462 E CB -0.533 29.097 29.700 -0.117 0.000 0.858 462 E HN 0.278 nan 8.360 nan 0.000 0.513 463 R N -0.442 119.895 120.500 -0.272 0.000 2.210 463 R HA 0.087 4.427 4.340 -0.000 0.000 0.203 463 R C 0.060 175.961 176.300 -0.665 0.000 1.010 463 R CA 0.502 56.293 56.100 -0.515 0.000 1.008 463 R CB 0.216 30.050 30.300 -0.776 0.000 0.923 463 R HN 0.148 nan 8.270 nan 0.000 0.469 464 Y N 0.471 120.789 120.300 0.030 0.000 2.749 464 Y HA 0.272 4.822 4.550 -0.000 0.000 0.343 464 Y C -0.201 175.810 175.900 0.185 0.000 1.015 464 Y CA -0.615 57.560 58.100 0.127 0.000 1.270 464 Y CB 0.971 39.581 38.460 0.250 0.000 1.097 464 Y HN -0.067 nan 8.280 nan 0.000 0.571 465 E N 0.535 120.856 120.200 0.202 0.000 2.789 465 E HA 0.144 4.494 4.350 -0.000 0.000 0.208 465 E C -0.496 176.184 176.600 0.133 0.000 0.988 465 E CA -0.249 56.272 56.400 0.202 0.000 1.092 465 E CB 0.515 30.299 29.700 0.140 0.000 1.066 465 E HN 0.430 nan 8.360 nan 0.000 0.465 466 C N 2.334 121.703 119.300 0.115 0.000 2.627 466 C HA 0.088 4.548 4.460 -0.000 0.000 0.404 466 C C 0.528 175.530 174.990 0.019 0.000 1.340 466 C CA -0.164 58.879 59.018 0.042 0.000 1.758 466 C CB -0.742 27.007 27.740 0.016 0.000 2.501 466 C HN 0.368 nan 8.230 nan 0.000 0.588 467 Q N 4.331 124.123 119.800 -0.013 0.000 2.313 467 Q HA 0.221 4.561 4.340 -0.000 0.000 0.266 467 Q C 0.362 176.295 176.000 -0.112 0.000 0.989 467 Q CA 0.548 56.324 55.803 -0.046 0.000 0.890 467 Q CB 0.490 29.194 28.738 -0.057 0.000 1.200 467 Q HN 0.885 nan 8.270 nan 0.000 0.396 468 N N 1.045 119.670 118.700 -0.125 0.000 2.434 468 N HA 0.145 4.885 4.740 -0.000 0.000 0.266 468 N C 0.702 175.974 175.510 -0.397 0.000 1.223 468 N CA -0.536 52.386 53.050 -0.214 0.000 0.972 468 N CB 0.539 38.947 38.487 -0.132 0.000 1.207 468 N HN 0.677 nan 8.380 nan 0.000 0.525 469 I N -3.257 116.934 120.570 -0.632 0.000 2.264 469 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 469 I C 1.215 176.803 176.117 -0.880 0.000 1.111 469 I CA 1.344 62.014 61.300 -1.050 0.000 1.382 469 I CB -0.576 36.805 38.000 -1.031 0.000 1.060 469 I HN 0.361 nan 8.210 nan 0.000 0.418 470 F N 1.687 121.457 119.950 -0.300 0.000 2.186 470 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 470 F C 2.631 178.360 175.800 -0.119 0.000 1.090 470 F CA 1.195 59.114 58.000 -0.134 0.000 1.307 470 F CB -0.357 38.633 39.000 -0.017 0.000 1.019 470 F HN 0.059 nan 8.300 nan 0.000 0.489 471 E N 0.065 120.268 120.200 0.006 0.000 2.047 471 E HA -0.265 4.085 4.350 -0.000 0.000 0.191 471 E C 2.066 178.626 176.600 -0.067 0.000 0.987 471 E CA 1.258 57.650 56.400 -0.014 0.000 0.799 471 E CB -0.204 29.476 29.700 -0.034 0.000 0.752 471 E HN 0.254 nan 8.360 nan 0.000 0.449 472 Q N 0.177 119.853 119.800 -0.207 0.000 2.119 472 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 472 Q C 1.190 177.171 176.000 -0.032 0.000 0.972 472 Q CA 1.512 57.202 55.803 -0.189 0.000 0.847 472 Q CB -0.109 28.413 28.738 -0.361 0.000 0.903 472 Q HN 0.488 nan 8.270 nan 0.000 0.433 473 Y N 0.204 120.381 120.300 -0.204 0.000 2.466 473 Y HA 0.178 4.728 4.550 -0.000 0.000 0.272 473 Y C 0.310 176.180 175.900 -0.050 0.000 1.169 473 Y CA -0.606 57.332 58.100 -0.269 0.000 1.285 473 Y CB 0.220 38.177 38.460 -0.838 0.000 1.078 473 Y HN 0.150 nan 8.280 nan 0.000 0.523 474 E N 0.905 121.195 120.200 0.151 0.000 2.608 474 E HA -0.043 4.307 4.350 -0.000 0.000 0.259 474 E C 1.209 177.898 176.600 0.148 0.000 0.951 474 E CA 1.035 57.538 56.400 0.171 0.000 0.945 474 E CB 0.177 29.942 29.700 0.109 0.000 0.916 474 E HN 0.618 nan 8.360 nan 0.000 0.477 475 G N 4.154 113.047 108.800 0.155 0.000 2.189 475 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 475 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 475 G C 0.078 175.042 174.900 0.107 0.000 0.975 475 G CA 0.338 45.501 45.100 0.104 0.000 0.644 475 G HN 0.473 nan 8.290 nan 0.000 0.537 476 R N 0.681 121.281 120.500 0.166 0.000 2.428 476 R HA 0.456 4.796 4.340 -0.000 0.000 0.294 476 R C 0.178 176.577 176.300 0.166 0.000 1.000 476 R CA -0.798 55.383 56.100 0.134 0.000 0.960 476 R CB 1.058 31.420 30.300 0.103 0.000 1.076 476 R HN 0.399 nan 8.270 nan 0.000 0.475 477 E N 2.802 123.041 120.200 0.065 0.000 2.313 477 E HA -0.032 4.318 4.350 -0.000 0.000 0.276 477 E C 0.863 177.471 176.600 0.015 0.000 1.031 477 E CA -0.338 56.069 56.400 0.013 0.000 0.857 477 E CB 1.049 30.738 29.700 -0.019 0.000 1.040 477 E HN 0.344 nan 8.360 nan 0.000 0.408 478 L N 5.087 126.286 121.223 -0.041 0.000 1.965 478 L HA -0.335 4.005 4.340 -0.000 0.000 0.226 478 L C 2.450 179.276 176.870 -0.074 0.000 1.083 478 L CA 3.005 57.821 54.840 -0.040 0.000 0.790 478 L CB -1.449 40.485 42.059 -0.207 0.000 0.898 478 L HN 0.795 nan 8.230 nan 0.000 0.439 479 S N -1.532 114.113 115.700 -0.092 0.000 2.413 479 S HA -0.311 4.159 4.470 -0.000 0.000 0.237 479 S C 1.859 176.406 174.600 -0.088 0.000 1.044 479 S CA 1.808 59.957 58.200 -0.085 0.000 1.024 479 S CB -0.809 62.355 63.200 -0.059 0.000 0.829 479 S HN 0.670 nan 8.310 nan 0.000 0.475 480 E N 0.196 120.349 120.200 -0.079 0.000 2.107 480 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 480 E C 2.073 178.595 176.600 -0.131 0.000 0.982 480 E CA 1.128 57.475 56.400 -0.087 0.000 0.809 480 E CB -0.117 29.546 29.700 -0.061 0.000 0.756 480 E HN 0.493 nan 8.360 nan 0.000 0.459 481 V N 1.187 120.998 119.914 -0.172 0.000 2.453 481 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 481 V C 2.146 178.081 176.094 -0.266 0.000 1.048 481 V CA 1.304 63.423 62.300 -0.301 0.000 1.049 481 V CB -0.324 31.161 31.823 -0.563 0.000 0.672 481 V HN 0.290 nan 8.190 nan 0.000 0.457 482 I N 0.607 121.052 120.570 -0.207 0.000 2.202 482 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 482 I C 2.691 178.720 176.117 -0.147 0.000 1.091 482 I CA 1.515 62.715 61.300 -0.167 0.000 1.368 482 I CB -0.609 37.306 38.000 -0.141 0.000 1.058 482 I HN 0.291 nan 8.210 nan 0.000 0.410 483 A N 0.409 123.144 122.820 -0.141 0.000 1.898 483 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 483 A C 2.311 179.754 177.584 -0.235 0.000 1.181 483 A CA 1.787 53.737 52.037 -0.146 0.000 0.620 483 A CB -0.650 18.284 19.000 -0.109 0.000 0.819 483 A HN 0.490 nan 8.150 nan 0.000 0.442 484 E N -0.082 119.986 120.200 -0.220 0.000 2.118 484 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 484 E C 1.037 177.422 176.600 -0.359 0.000 0.992 484 E CA 1.004 57.250 56.400 -0.257 0.000 0.804 484 E CB -0.164 29.436 29.700 -0.168 0.000 0.741 484 E HN 0.602 nan 8.360 nan 0.000 0.458 485 L N 0.670 121.742 121.223 -0.252 0.000 2.728 485 L HA 0.159 4.499 4.340 -0.000 0.000 0.235 485 L C -0.498 176.352 176.870 -0.032 0.000 1.197 485 L CA -0.100 54.662 54.840 -0.130 0.000 0.992 485 L CB -0.605 41.412 42.059 -0.070 0.000 1.263 485 L HN 0.265 nan 8.230 nan 0.000 0.484 486 H N -1.146 117.890 119.070 -0.056 0.000 2.692 486 H HA -0.170 4.386 4.556 -0.000 0.000 0.316 486 H C 1.370 176.671 175.328 -0.045 0.000 1.176 486 H CA 0.539 56.559 56.048 -0.046 0.000 1.142 486 H CB -1.630 28.106 29.762 -0.044 0.000 1.475 486 H HN 0.493 nan 8.280 nan 0.000 0.423 487 G N 0.261 109.065 108.800 0.007 0.000 3.424 487 G HA2 0.392 4.352 3.960 -0.000 0.000 0.263 487 G HA3 0.392 4.352 3.960 -0.000 0.000 0.263 487 G C 0.266 175.169 174.900 0.006 0.000 1.310 487 G CA -0.237 44.861 45.100 -0.002 0.000 1.089 487 G HN 0.316 nan 8.290 nan 0.000 0.534 488 L N -0.844 120.395 121.223 0.026 0.000 2.313 488 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 488 L C 0.661 177.552 176.870 0.035 0.000 1.010 488 L CA -1.312 53.544 54.840 0.027 0.000 0.814 488 L CB 1.630 43.702 42.059 0.022 0.000 1.304 488 L HN -0.001 nan 8.230 nan 0.000 0.441 489 R N -0.436 120.084 120.500 0.033 0.000 2.517 489 R HA 0.238 4.578 4.340 -0.000 0.000 0.250 489 R C 1.232 177.549 176.300 0.028 0.000 1.213 489 R CA -0.303 55.816 56.100 0.031 0.000 1.146 489 R CB 0.381 30.701 30.300 0.032 0.000 1.279 489 R HN 0.663 nan 8.270 nan 0.000 0.597 490 S N 1.010 116.724 115.700 0.023 0.000 2.442 490 S HA -0.158 4.312 4.470 -0.000 0.000 0.236 490 S C 1.121 175.732 174.600 0.018 0.000 1.007 490 S CA 1.571 59.782 58.200 0.018 0.000 0.965 490 S CB -0.393 62.815 63.200 0.013 0.000 0.773 490 S HN 0.737 nan 8.310 nan 0.000 0.504 491 D N 1.168 121.580 120.400 0.020 0.000 2.363 491 D HA 0.128 4.768 4.640 -0.000 0.000 0.226 491 D C 1.423 177.734 176.300 0.018 0.000 1.020 491 D CA 0.682 54.693 54.000 0.018 0.000 0.892 491 D CB -1.047 39.765 40.800 0.020 0.000 0.900 491 D HN 0.403 nan 8.370 nan 0.000 0.531 492 G N 0.329 109.142 108.800 0.021 0.000 2.186 492 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.266 492 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.266 492 G C 1.163 176.073 174.900 0.016 0.000 0.982 492 G CA 1.194 46.306 45.100 0.020 0.000 0.670 492 G HN 0.507 nan 8.290 nan 0.000 0.533 493 K N -0.568 119.845 120.400 0.021 0.000 2.313 493 K HA 0.269 4.589 4.320 -0.000 0.000 0.215 493 K C 1.339 177.961 176.600 0.036 0.000 1.109 493 K CA 1.218 57.518 56.287 0.023 0.000 0.895 493 K CB 0.040 32.552 32.500 0.021 0.000 1.234 493 K HN 0.235 nan 8.250 nan 0.000 0.463 494 T N 2.470 117.050 114.554 0.043 0.000 2.907 494 T HA 0.245 4.595 4.350 -0.000 0.000 0.298 494 T C 0.146 174.884 174.700 0.063 0.000 1.017 494 T CA -0.290 61.849 62.100 0.064 0.000 1.118 494 T CB 0.450 69.355 68.868 0.061 0.000 0.948 494 T HN 0.035 nan 8.240 nan 0.000 0.531 495 L N 3.224 124.502 121.223 0.091 0.000 2.461 495 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 495 L C 1.792 178.688 176.870 0.045 0.000 1.197 495 L CA -0.351 54.532 54.840 0.072 0.000 0.836 495 L CB 0.261 42.392 42.059 0.120 0.000 1.105 495 L HN 0.694 nan 8.230 nan 0.000 0.477 496 I N 1.350 121.931 120.570 0.018 0.000 2.193 496 I HA -0.109 4.061 4.170 -0.000 0.000 0.240 496 I C 1.464 177.557 176.117 -0.039 0.000 1.084 496 I CA 0.619 61.920 61.300 0.002 0.000 1.365 496 I CB -0.042 37.969 38.000 0.018 0.000 1.064 496 I HN 0.718 nan 8.210 nan 0.000 0.410 497 A N 1.122 123.906 122.820 -0.061 0.000 2.425 497 A HA 0.338 4.658 4.320 -0.000 0.000 0.242 497 A C -0.231 177.350 177.584 -0.005 0.000 1.077 497 A CA 0.172 52.150 52.037 -0.099 0.000 0.781 497 A CB 0.429 19.352 19.000 -0.129 0.000 1.020 497 A HN 0.336 nan 8.150 nan 0.000 0.494 498 Q N 0.581 120.240 119.800 -0.235 0.000 2.462 498 Q HA 0.375 4.715 4.340 -0.000 0.000 0.285 498 Q C -2.563 172.727 176.000 -1.184 0.000 1.035 498 Q CA -1.441 53.928 55.803 -0.724 0.000 0.799 498 Q CB 2.194 30.587 28.738 -0.575 0.000 1.452 498 Q HN 0.541 nan 8.270 nan 0.000 0.404 499 P HA 0.068 nan 4.420 nan 0.000 0.262 499 P C -0.639 176.415 177.300 -0.409 0.000 1.304 499 P CA 0.589 62.781 63.100 -1.513 0.000 0.859 499 P CB 0.353 30.814 31.700 -2.065 0.000 1.310 500 H N -3.179 115.718 119.070 -0.289 0.000 3.014 500 H HA 0.404 4.960 4.556 -0.000 0.000 0.337 500 H C -0.243 175.059 175.328 -0.043 0.000 1.320 500 H CA -1.000 55.013 56.048 -0.059 0.000 1.128 500 H CB 0.574 30.334 29.762 -0.003 0.000 1.862 500 H HN -0.255 nan 8.280 nan 0.000 0.536 501 V N -1.168 118.872 119.914 0.210 0.000 3.177 501 V HA 0.487 4.607 4.120 -0.000 0.000 0.342 501 V C 0.498 176.711 176.094 0.198 0.000 1.379 501 V CA -0.502 61.876 62.300 0.130 0.000 1.191 501 V CB -1.000 30.882 31.823 0.097 0.000 1.167 501 V HN 0.569 nan 8.190 nan 0.000 0.471 502 R N 0.213 120.970 120.500 0.428 0.000 2.546 502 R HA 0.565 4.905 4.340 -0.000 0.000 0.266 502 R C 1.517 177.946 176.300 0.215 0.000 1.086 502 R CA 0.144 56.373 56.100 0.215 0.000 1.160 502 R CB 0.873 31.199 30.300 0.043 0.000 1.138 502 R HN 0.340 nan 8.270 nan 0.000 0.567 503 G N 0.127 108.996 108.800 0.115 0.000 2.880 503 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.209 503 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.209 503 G C -0.143 174.818 174.900 0.102 0.000 1.157 503 G CA 0.095 45.252 45.100 0.096 0.000 0.779 503 G HN 0.718 nan 8.290 nan 0.000 0.539 504 D N -1.380 119.087 120.400 0.112 0.000 2.419 504 D HA 0.308 4.948 4.640 -0.000 0.000 0.234 504 D C -0.325 176.053 176.300 0.129 0.000 1.014 504 D CA -0.919 53.133 54.000 0.087 0.000 0.919 504 D CB 1.044 41.864 40.800 0.033 0.000 1.366 504 D HN -0.019 nan 8.370 nan 0.000 0.490 505 K N 0.290 120.752 120.400 0.103 0.000 3.372 505 K HA -0.126 4.194 4.320 -0.000 0.000 0.272 505 K C -0.618 176.148 176.600 0.276 0.000 1.037 505 K CA 0.185 56.542 56.287 0.116 0.000 0.777 505 K CB -1.463 31.071 32.500 0.056 0.000 1.347 505 K HN 0.452 nan 8.250 nan 0.000 0.460 506 L N 0.664 122.012 121.223 0.209 0.000 2.312 506 L HA 0.374 4.714 4.340 -0.000 0.000 0.281 506 L C 0.761 177.786 176.870 0.258 0.000 1.070 506 L CA -0.821 54.166 54.840 0.245 0.000 0.805 506 L CB 0.356 42.496 42.059 0.135 0.000 1.174 506 L HN 0.053 nan 8.230 nan 0.000 0.434 507 W N 1.747 123.070 121.300 0.038 0.000 2.181 507 W HA 0.289 4.949 4.660 -0.000 0.000 0.335 507 W C 0.830 177.389 176.519 0.067 0.000 1.310 507 W CA -0.375 57.023 57.345 0.090 0.000 1.226 507 W CB 0.331 29.918 29.460 0.210 0.000 1.155 507 W HN 0.448 nan 8.180 nan 0.000 0.565 508 T N -0.093 114.596 114.554 0.225 0.000 2.949 508 T HA 0.322 4.672 4.350 -0.000 0.000 0.287 508 T C 0.575 175.348 174.700 0.122 0.000 1.034 508 T CA -0.913 61.266 62.100 0.131 0.000 1.018 508 T CB 1.380 70.284 68.868 0.060 0.000 1.135 508 T HN 0.330 nan 8.240 nan 0.000 0.532 509 L N 0.866 122.129 121.223 0.067 0.000 2.043 509 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 509 L C 2.174 179.062 176.870 0.030 0.000 1.075 509 L CA 2.395 57.255 54.840 0.034 0.000 0.752 509 L CB -1.005 41.057 42.059 0.005 0.000 0.891 509 L HN 0.991 nan 8.230 nan 0.000 0.432 510 D N -1.037 119.377 120.400 0.024 0.000 2.104 510 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 510 D C 1.725 178.034 176.300 0.016 0.000 0.994 510 D CA 1.563 55.569 54.000 0.009 0.000 0.830 510 D CB -0.053 40.745 40.800 -0.002 0.000 0.959 510 D HN 0.436 nan 8.370 nan 0.000 0.452 511 D N -0.080 120.339 120.400 0.033 0.000 2.182 511 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 511 D C 2.009 178.377 176.300 0.113 0.000 0.986 511 D CA 0.609 54.624 54.000 0.026 0.000 0.847 511 D CB 0.002 40.790 40.800 -0.019 0.000 0.942 511 D HN 0.365 nan 8.370 nan 0.000 0.467 512 I N 0.827 121.475 120.570 0.129 0.000 2.406 512 I HA -0.135 4.035 4.170 -0.000 0.000 0.249 512 I C 2.358 178.472 176.117 -0.005 0.000 1.122 512 I CA 0.636 61.975 61.300 0.066 0.000 1.431 512 I CB -0.686 37.305 38.000 -0.015 0.000 1.087 512 I HN -0.017 nan 8.210 nan 0.000 0.424 513 K N 1.333 121.729 120.400 -0.008 0.000 2.057 513 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 513 K C 2.248 178.835 176.600 -0.021 0.000 1.049 513 K CA 1.280 57.552 56.287 -0.025 0.000 0.931 513 K CB 0.017 32.505 32.500 -0.021 0.000 0.714 513 K HN 0.173 nan 8.250 nan 0.000 0.440 514 R N 0.520 121.014 120.500 -0.009 0.000 2.127 514 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 514 R C 2.307 178.603 176.300 -0.006 0.000 1.134 514 R CA 1.336 57.431 56.100 -0.009 0.000 0.975 514 R CB -0.394 29.900 30.300 -0.009 0.000 0.865 514 R HN 0.270 nan 8.270 nan 0.000 0.447 515 L N 0.467 121.690 121.223 0.000 0.000 2.191 515 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 515 L C 0.667 177.514 176.870 -0.038 0.000 1.103 515 L CA 0.658 55.494 54.840 -0.006 0.000 0.769 515 L CB -0.735 41.314 42.059 -0.017 0.000 0.908 515 L HN 0.320 nan 8.230 nan 0.000 0.438 516 N N -0.769 117.902 118.700 -0.048 0.000 2.727 516 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 516 N C -0.344 175.113 175.510 -0.087 0.000 1.048 516 N CA 0.391 53.407 53.050 -0.057 0.000 0.714 516 N CB -1.530 36.934 38.487 -0.039 0.000 0.959 516 N HN 0.351 nan 8.380 nan 0.000 0.544 517 C N 0.988 120.208 119.300 -0.133 0.000 2.499 517 C HA 0.628 5.088 4.460 -0.000 0.000 0.386 517 C C 0.358 175.209 174.990 -0.231 0.000 1.293 517 C CA -0.409 58.483 59.018 -0.211 0.000 1.884 517 C CB -0.475 27.083 27.740 -0.303 0.000 2.509 517 C HN 0.244 nan 8.230 nan 0.000 0.566 518 V N 7.456 127.249 119.914 -0.202 0.000 2.540 518 V HA 0.425 4.545 4.120 -0.000 0.000 0.302 518 V C -0.173 175.849 176.094 -0.120 0.000 1.035 518 V CA -0.427 61.806 62.300 -0.111 0.000 0.873 518 V CB 1.374 33.177 31.823 -0.032 0.000 0.992 518 V HN 0.768 nan 8.190 nan 0.000 0.428 519 F N 3.294 123.255 119.950 0.018 0.000 2.496 519 F HA 0.436 4.963 4.527 -0.000 0.000 0.344 519 F C 0.765 176.588 175.800 0.039 0.000 1.155 519 F CA 0.224 58.265 58.000 0.069 0.000 1.302 519 F CB 0.634 39.750 39.000 0.194 0.000 1.159 519 F HN 0.350 nan 8.300 nan 0.000 0.595 520 K N 1.045 121.563 120.400 0.197 0.000 2.464 520 K HA 0.244 4.564 4.320 -0.000 0.000 0.253 520 K C -1.213 175.399 176.600 0.020 0.000 0.933 520 K CA -1.208 55.119 56.287 0.066 0.000 0.801 520 K CB 1.578 34.057 32.500 -0.036 0.000 1.271 520 K HN 0.311 nan 8.250 nan 0.000 0.430 521 N N 3.808 122.537 118.700 0.048 0.000 2.402 521 N HA 0.079 4.819 4.740 -0.000 0.000 0.252 521 N C -1.603 173.900 175.510 -0.011 0.000 1.118 521 N CA -2.029 51.053 53.050 0.054 0.000 0.945 521 N CB 0.738 39.274 38.487 0.082 0.000 1.147 521 N HN 0.384 nan 8.380 nan 0.000 0.495 522 P HA -0.157 nan 4.420 nan 0.000 0.222 522 P C 1.178 178.627 177.300 0.249 0.000 1.142 522 P CA 0.633 63.697 63.100 -0.061 0.000 0.788 522 P CB 0.587 32.094 31.700 -0.320 0.000 0.767 523 V N -0.047 120.013 119.914 0.244 0.000 2.951 523 V HA -0.050 4.070 4.120 -0.000 0.000 0.255 523 V C 2.182 178.446 176.094 0.283 0.000 1.088 523 V CA 1.272 63.746 62.300 0.290 0.000 1.109 523 V CB -0.856 31.010 31.823 0.072 0.000 0.724 523 V HN -0.048 nan 8.190 nan 0.000 0.471 524 K N 0.712 121.203 120.400 0.152 0.000 2.360 524 K HA -0.003 4.317 4.320 -0.000 0.000 0.201 524 K C 2.049 178.703 176.600 0.091 0.000 1.046 524 K CA 1.226 57.574 56.287 0.102 0.000 0.945 524 K CB -0.715 31.816 32.500 0.052 0.000 0.750 524 K HN 0.543 nan 8.250 nan 0.000 0.464 525 A N 0.669 123.535 122.820 0.077 0.000 2.015 525 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 525 A C 0.547 178.052 177.584 -0.131 0.000 1.163 525 A CA 0.527 52.519 52.037 -0.076 0.000 0.646 525 A CB -0.409 18.474 19.000 -0.195 0.000 0.806 525 A HN 0.118 nan 8.150 nan 0.000 0.448 526 F N 1.468 121.418 119.950 0.001 0.000 2.444 526 F HA 0.279 4.806 4.527 -0.000 0.000 0.360 526 F C 0.624 176.422 175.800 -0.002 0.000 1.106 526 F CA -0.886 57.112 58.000 -0.003 0.000 1.170 526 F CB 0.140 39.133 39.000 -0.013 0.000 1.113 526 F HN 0.056 nan 8.300 nan 0.000 0.521 527 N N 0.000 118.780 118.700 0.133 0.000 1.763 527 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 527 N CA 0.000 53.102 53.050 0.086 0.000 0.885 527 N CB 0.000 38.513 38.487 0.043 0.000 1.341 527 N HN 0.000 nan 8.380 nan 0.000 0.667