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 1sma_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRKEAIHHRS TDNFAYAYDS ETLHLRLQTK KNDVDHVELL FGDPYEWHDG DATA SEQUENCE AWQFQTMPMR KTGSDGLFDY WLAEVKPPYR RLRYGFVLRA GGEKLVYTEK DATA SEQUENCE GFYHEAPSDD TAYYFCFPFL HRVDLFQAPD WVKDTVWYQI FPERFANGNP DATA SEQUENCE AISPKGARPW GSEDPTPTSF FGGDLQGIID HLDYLADLGI TGIYLTPIFR DATA SEQUENCE APSNHKYDTA DYFEIDPHFG DKETLKTLVK RCHEKGIRVM LDAVFNHCGY DATA SEQUENCE EFAPFQDVLK NGAASRYKDW FHIREFPLQT EPRPNYDTFA FVPHMPKLNT DATA SEQUENCE AHPEVKRYLL DVATYWIREF DIDGWRLDVA NEIDHQFWRE FRQAVKALKP DATA SEQUENCE DVYILGEIWH DAMPWLRGDQ FDAVMNYPLA DAALRFFAKE DMSASEFADR DATA SEQUENCE LMHVLHSYPK QVNEAAFNLL GSHDTPRLLT VCGGDVRKVK LLFLFQLTFT DATA SEQUENCE GSPCIYYGDE IGMTGGNDPE CRKCMVWDPE KQNKELYEHV KQLIALRKQY DATA SEQUENCE RALRRGDVAF LTADDEVNHL VYAKTDGNET VMIIINRSNE AAEIPMPIDA DATA SEQUENCE RGKWLVNLLT GERFAAEAET LCVSLPPYGF VLYAVESW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.241 176.300 -0.098 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.068 0.000 0.988 1 M CB 0.000 32.550 32.600 -0.084 0.000 1.302 2 R N 1.284 121.743 120.500 -0.068 0.000 4.339 2 R HA -0.182 4.159 4.340 0.002 0.000 0.105 2 R C 0.270 176.520 176.300 -0.084 0.000 0.301 2 R CA 0.802 56.866 56.100 -0.059 0.000 0.787 2 R CB -0.609 29.682 30.300 -0.016 0.000 1.118 2 R HN 0.666 nan 8.270 nan 0.000 0.220 3 K N 2.457 122.776 120.400 -0.135 0.000 2.366 3 K HA -0.088 4.233 4.320 0.002 0.000 0.198 3 K C 1.030 177.642 176.600 0.020 0.000 1.044 3 K CA 1.009 57.208 56.287 -0.147 0.000 0.973 3 K CB 0.241 32.558 32.500 -0.305 0.000 0.767 3 K HN 0.448 nan 8.250 nan 0.000 0.475 4 E N 1.427 121.645 120.200 0.029 0.000 2.204 4 E HA -0.124 4.227 4.350 0.002 0.000 0.194 4 E C 1.875 178.533 176.600 0.097 0.000 0.989 4 E CA 1.132 57.573 56.400 0.070 0.000 0.824 4 E CB -0.145 29.591 29.700 0.060 0.000 0.756 4 E HN 0.345 nan 8.360 nan 0.000 0.477 5 A N 0.831 123.712 122.820 0.102 0.000 1.935 5 A HA 0.086 4.407 4.320 0.002 0.000 0.214 5 A C 1.098 178.727 177.584 0.074 0.000 1.178 5 A CA 0.076 52.225 52.037 0.188 0.000 0.640 5 A CB -0.261 18.866 19.000 0.211 0.000 0.825 5 A HN 0.113 nan 8.150 nan 0.000 0.447 6 I N -0.035 120.534 120.570 -0.001 0.000 2.692 6 I HA 0.284 4.455 4.170 0.002 0.000 0.284 6 I C 0.253 176.272 176.117 -0.162 0.000 1.159 6 I CA 0.550 61.768 61.300 -0.136 0.000 1.423 6 I CB 0.239 38.098 38.000 -0.235 0.000 1.380 6 I HN 0.559 nan 8.210 nan 0.000 0.580 7 H N 3.640 122.509 119.070 -0.336 0.000 3.081 7 H HA 0.480 5.037 4.556 0.002 0.000 0.322 7 H C -1.544 173.636 175.328 -0.248 0.000 1.266 7 H CA -0.712 55.206 56.048 -0.217 0.000 1.279 7 H CB 1.121 30.716 29.762 -0.278 0.000 1.954 7 H HN 0.721 nan 8.280 nan 0.000 0.530 8 H N 2.523 120.988 119.070 -1.009 0.000 3.014 8 H HA 0.668 5.225 4.556 0.002 0.000 0.337 8 H C -1.513 173.236 175.328 -0.964 0.000 1.320 8 H CA -0.702 54.748 56.048 -0.997 0.000 1.128 8 H CB 1.540 30.914 29.762 -0.646 0.000 1.862 8 H HN 0.650 nan 8.280 nan 0.000 0.536 9 R N 0.905 120.627 120.500 -1.297 0.000 2.594 9 R HA 0.177 4.518 4.340 0.002 0.000 0.265 9 R C -0.603 175.464 176.300 -0.388 0.000 1.070 9 R CA -0.022 55.763 56.100 -0.524 0.000 0.909 9 R CB 1.829 31.994 30.300 -0.225 0.000 1.243 9 R HN 0.822 nan 8.270 nan 0.000 0.455 10 S N 0.162 115.881 115.700 0.032 0.000 2.942 10 S HA 0.053 4.524 4.470 0.002 0.000 0.244 10 S C 0.348 175.045 174.600 0.160 0.000 1.011 10 S CA 0.031 58.374 58.200 0.240 0.000 1.102 10 S CB -0.103 63.271 63.200 0.290 0.000 0.812 10 S HN 0.488 nan 8.310 nan 0.000 0.486 11 T N -0.008 114.622 114.554 0.126 0.000 2.864 11 T HA 0.480 4.831 4.350 0.002 0.000 0.299 11 T C -0.918 173.910 174.700 0.213 0.000 1.166 11 T CA -0.127 62.062 62.100 0.149 0.000 1.007 11 T CB 1.163 70.088 68.868 0.095 0.000 1.219 11 T HN 0.282 nan 8.240 nan 0.000 0.506 12 D N 1.011 121.537 120.400 0.211 0.000 3.393 12 D HA -0.224 4.417 4.640 0.002 0.000 0.178 12 D C 1.252 177.732 176.300 0.301 0.000 1.201 12 D CA 1.484 55.607 54.000 0.204 0.000 1.086 12 D CB -0.786 40.105 40.800 0.152 0.000 0.568 12 D HN 0.758 nan 8.370 nan 0.000 0.637 13 N N 0.871 119.690 118.700 0.199 0.000 2.309 13 N HA -0.157 4.584 4.740 0.002 0.000 0.182 13 N C 2.064 177.761 175.510 0.313 0.000 1.018 13 N CA 1.341 54.508 53.050 0.194 0.000 0.876 13 N CB -0.478 37.977 38.487 -0.053 0.000 0.972 13 N HN 0.387 nan 8.380 nan 0.000 0.434 14 F N 1.313 121.402 119.950 0.230 0.000 2.407 14 F HA 0.246 4.774 4.527 0.002 0.000 0.299 14 F C 1.249 177.168 175.800 0.198 0.000 1.097 14 F CA 0.809 58.898 58.000 0.149 0.000 1.422 14 F CB 0.102 39.040 39.000 -0.104 0.000 1.067 14 F HN 0.148 nan 8.300 nan 0.000 0.539 15 A N -0.754 122.314 122.820 0.413 0.000 2.480 15 A HA 0.598 4.919 4.320 0.002 0.000 0.289 15 A C -1.629 176.225 177.584 0.451 0.000 1.044 15 A CA -0.505 51.738 52.037 0.344 0.000 0.761 15 A CB 0.144 19.431 19.000 0.478 0.000 1.289 15 A HN 0.241 nan 8.150 nan 0.000 0.401 16 Y N -1.079 119.457 120.300 0.393 0.000 2.788 16 Y HA 0.832 5.383 4.550 0.002 0.000 0.335 16 Y C -0.335 175.716 175.900 0.253 0.000 1.287 16 Y CA -1.005 57.337 58.100 0.403 0.000 1.068 16 Y CB 0.745 39.347 38.460 0.236 0.000 1.340 16 Y HN 1.297 nan 8.280 nan 0.000 0.449 17 A N 0.647 123.738 122.820 0.453 0.000 2.292 17 A HA 0.516 4.837 4.320 0.002 0.000 0.319 17 A C -0.792 176.964 177.584 0.286 0.000 1.206 17 A CA -0.544 51.608 52.037 0.193 0.000 0.835 17 A CB 0.259 19.371 19.000 0.186 0.000 1.164 17 A HN 0.918 nan 8.150 nan 0.000 0.505 18 Y N 2.353 122.632 120.300 -0.035 0.000 2.153 18 Y HA 0.051 4.602 4.550 0.002 0.000 0.289 18 Y C 0.628 176.525 175.900 -0.005 0.000 1.119 18 Y CA 2.166 60.213 58.100 -0.088 0.000 1.116 18 Y CB 0.231 38.471 38.460 -0.368 0.000 1.004 18 Y HN 0.823 nan 8.280 nan 0.000 0.501 19 D N -2.607 117.873 120.400 0.134 0.000 2.687 19 D HA 0.210 4.851 4.640 0.002 0.000 0.264 19 D C 0.385 176.715 176.300 0.050 0.000 1.091 19 D CA -0.073 53.964 54.000 0.062 0.000 1.123 19 D CB 0.743 41.606 40.800 0.105 0.000 1.407 19 D HN -0.027 nan 8.370 nan 0.000 0.591 20 S N -1.636 114.087 115.700 0.038 0.000 2.727 20 S HA -0.070 4.401 4.470 0.002 0.000 0.226 20 S C 0.879 175.471 174.600 -0.013 0.000 0.963 20 S CA 0.686 58.903 58.200 0.029 0.000 0.950 20 S CB -0.734 62.490 63.200 0.040 0.000 0.779 20 S HN 0.699 nan 8.310 nan 0.000 0.532 21 E N -0.071 120.117 120.200 -0.021 0.000 2.679 21 E HA 0.073 4.424 4.350 0.002 0.000 0.221 21 E C -0.689 175.859 176.600 -0.087 0.000 0.928 21 E CA -0.072 56.291 56.400 -0.062 0.000 1.296 21 E CB 0.734 30.409 29.700 -0.041 0.000 1.235 21 E HN 0.341 nan 8.360 nan 0.000 0.622 22 T N 1.362 115.884 114.554 -0.053 0.000 2.863 22 T HA 0.588 4.939 4.350 0.002 0.000 0.285 22 T C -0.459 174.178 174.700 -0.105 0.000 1.009 22 T CA -0.585 61.474 62.100 -0.068 0.000 0.989 22 T CB 1.975 70.853 68.868 0.016 0.000 1.004 22 T HN 0.075 nan 8.240 nan 0.000 0.455 23 L N 2.037 123.147 121.223 -0.188 0.000 2.333 23 L HA 0.584 4.925 4.340 0.002 0.000 0.269 23 L C -0.700 176.100 176.870 -0.118 0.000 1.010 23 L CA -1.068 53.598 54.840 -0.290 0.000 0.818 23 L CB 1.464 43.194 42.059 -0.548 0.000 1.306 23 L HN 0.614 nan 8.230 nan 0.000 0.430 24 H N 3.009 121.774 119.070 -0.508 0.000 2.587 24 H HA 0.529 5.086 4.556 0.002 0.000 0.325 24 H C -1.180 173.871 175.328 -0.462 0.000 1.012 24 H CA -0.532 55.195 56.048 -0.534 0.000 1.213 24 H CB 1.351 30.629 29.762 -0.806 0.000 1.431 24 H HN 0.087 nan 8.280 nan 0.000 0.492 25 L N 4.028 125.149 121.223 -0.171 0.000 2.345 25 L HA 0.431 4.772 4.340 0.002 0.000 0.274 25 L C 0.220 177.198 176.870 0.181 0.000 0.999 25 L CA -0.348 54.498 54.840 0.009 0.000 0.849 25 L CB 0.845 42.770 42.059 -0.224 0.000 1.220 25 L HN 0.463 nan 8.230 nan 0.000 0.422 26 R N 3.449 124.142 120.500 0.322 0.000 2.346 26 R HA 0.589 4.930 4.340 0.002 0.000 0.311 26 R C -0.917 175.667 176.300 0.474 0.000 0.983 26 R CA -0.776 55.523 56.100 0.332 0.000 0.880 26 R CB 2.590 33.034 30.300 0.239 0.000 1.100 26 R HN 0.411 nan 8.270 nan 0.000 0.453 27 L N 3.467 124.848 121.223 0.264 0.000 2.313 27 L HA 0.321 4.662 4.340 0.002 0.000 0.283 27 L C -0.635 176.414 176.870 0.299 0.000 1.013 27 L CA -0.425 54.462 54.840 0.078 0.000 0.816 27 L CB 1.790 43.584 42.059 -0.442 0.000 1.236 27 L HN 0.658 nan 8.230 nan 0.000 0.419 28 Q N 3.985 123.969 119.800 0.307 0.000 2.257 28 Q HA 0.475 4.816 4.340 0.002 0.000 0.255 28 Q C -0.980 175.049 176.000 0.048 0.000 0.920 28 Q CA -0.349 55.516 55.803 0.103 0.000 0.927 28 Q CB 1.668 30.413 28.738 0.012 0.000 1.229 28 Q HN 0.804 nan 8.270 nan 0.000 0.433 29 T N 0.487 115.137 114.554 0.161 0.000 2.838 29 T HA 0.422 4.774 4.350 0.002 0.000 0.292 29 T C -0.469 174.400 174.700 0.283 0.000 1.113 29 T CA -0.965 61.253 62.100 0.198 0.000 1.008 29 T CB 1.499 70.500 68.868 0.223 0.000 1.259 29 T HN 0.564 nan 8.240 nan 0.000 0.520 30 K N 0.619 121.147 120.400 0.213 0.000 2.286 30 K HA 0.322 4.643 4.320 0.002 0.000 0.256 30 K C 1.856 178.522 176.600 0.109 0.000 0.999 30 K CA 0.525 56.902 56.287 0.151 0.000 0.908 30 K CB 0.505 33.051 32.500 0.078 0.000 0.981 30 K HN 0.894 nan 8.250 nan 0.000 0.500 31 K N 2.474 122.878 120.400 0.006 0.000 2.050 31 K HA -0.276 4.045 4.320 0.002 0.000 0.233 31 K C 0.933 177.561 176.600 0.047 0.000 0.929 31 K CA 2.689 58.969 56.287 -0.012 0.000 1.037 31 K CB -1.375 31.100 32.500 -0.042 0.000 0.663 31 K HN 0.870 nan 8.250 nan 0.000 0.589 32 N N 0.224 118.956 118.700 0.053 0.000 2.699 32 N HA 0.236 4.977 4.740 0.002 0.000 0.317 32 N C -0.301 175.269 175.510 0.100 0.000 1.661 32 N CA -0.290 52.813 53.050 0.088 0.000 0.979 32 N CB 0.969 39.488 38.487 0.054 0.000 1.329 32 N HN 0.444 nan 8.380 nan 0.000 0.497 33 D N -0.224 120.248 120.400 0.120 0.000 2.183 33 D HA 0.014 4.655 4.640 0.002 0.000 0.205 33 D C 0.140 176.495 176.300 0.093 0.000 0.962 33 D CA 0.939 54.990 54.000 0.085 0.000 0.849 33 D CB 0.606 41.445 40.800 0.064 0.000 0.978 33 D HN 0.044 nan 8.370 nan 0.000 0.488 34 V N 1.807 121.811 119.914 0.150 0.000 2.384 34 V HA 0.234 4.355 4.120 0.002 0.000 0.287 34 V C 0.341 176.554 176.094 0.198 0.000 1.020 34 V CA -0.663 61.691 62.300 0.090 0.000 0.850 34 V CB 1.932 33.671 31.823 -0.140 0.000 0.987 34 V HN -0.122 nan 8.190 nan 0.000 0.436 35 D N 1.687 122.197 120.400 0.184 0.000 2.323 35 D HA 0.090 4.731 4.640 0.002 0.000 0.209 35 D C 0.440 176.809 176.300 0.115 0.000 0.973 35 D CA 1.184 55.321 54.000 0.228 0.000 0.874 35 D CB 0.322 41.310 40.800 0.313 0.000 0.930 35 D HN 0.766 nan 8.370 nan 0.000 0.521 36 H N -2.066 117.021 119.070 0.029 0.000 2.928 36 H HA 0.567 5.124 4.556 0.002 0.000 0.285 36 H C -1.302 173.839 175.328 -0.312 0.000 1.438 36 H CA -0.955 55.071 56.048 -0.037 0.000 1.176 36 H CB 2.398 32.163 29.762 0.004 0.000 1.864 36 H HN -0.234 nan 8.280 nan 0.000 0.567 37 V N 1.032 120.866 119.914 -0.133 0.000 3.069 37 V HA 0.171 4.292 4.120 0.002 0.000 0.242 37 V C -1.589 174.471 176.094 -0.057 0.000 1.740 37 V CA -0.400 61.752 62.300 -0.247 0.000 0.854 37 V CB 0.975 32.343 31.823 -0.759 0.000 1.173 37 V HN 0.772 nan 8.190 nan 0.000 0.504 38 E N 4.859 125.095 120.200 0.061 0.000 2.280 38 E HA 0.597 4.948 4.350 0.002 0.000 0.264 38 E C -0.573 176.107 176.600 0.133 0.000 1.064 38 E CA -0.563 55.898 56.400 0.102 0.000 0.900 38 E CB 1.877 31.633 29.700 0.094 0.000 1.123 38 E HN 0.633 nan 8.360 nan 0.000 0.418 39 L N 3.592 124.880 121.223 0.109 0.000 2.262 39 L HA 0.394 4.735 4.340 0.002 0.000 0.288 39 L C -1.222 175.692 176.870 0.073 0.000 1.035 39 L CA -0.599 54.257 54.840 0.027 0.000 0.820 39 L CB 0.610 42.663 42.059 -0.011 0.000 1.204 39 L HN 0.533 nan 8.230 nan 0.000 0.424 40 L N 7.102 128.284 121.223 -0.068 0.000 2.265 40 L HA 0.473 4.814 4.340 0.002 0.000 0.288 40 L C -0.809 176.017 176.870 -0.073 0.000 1.058 40 L CA -0.307 54.458 54.840 -0.124 0.000 0.809 40 L CB 0.714 42.561 42.059 -0.353 0.000 1.179 40 L HN 0.595 nan 8.230 nan 0.000 0.429 41 F N 3.093 122.950 119.950 -0.155 0.000 2.715 41 F HA 1.007 5.535 4.527 0.002 0.000 0.318 41 F C -0.366 175.420 175.800 -0.022 0.000 1.141 41 F CA -0.360 57.619 58.000 -0.035 0.000 0.950 41 F CB 1.356 40.337 39.000 -0.031 0.000 1.374 41 F HN 0.619 nan 8.300 nan 0.000 0.477 42 G N 0.559 109.496 108.800 0.229 0.000 2.340 42 G HA2 0.348 4.309 3.960 0.002 0.000 0.298 42 G HA3 0.348 4.309 3.960 0.002 0.000 0.298 42 G C -2.527 172.657 174.900 0.474 0.000 1.498 42 G CA -0.976 44.156 45.100 0.053 0.000 0.847 42 G HN 0.941 nan 8.290 nan 0.000 0.594 43 D N 0.416 121.038 120.400 0.370 0.000 2.389 43 D HA 0.447 5.088 4.640 0.002 0.000 0.247 43 D C -1.159 175.510 176.300 0.615 0.000 1.128 43 D CA -1.398 52.892 54.000 0.483 0.000 0.884 43 D CB 1.701 42.781 40.800 0.467 0.000 1.194 43 D HN 0.031 nan 8.370 nan 0.000 0.441 44 P HA -0.037 nan 4.420 nan 0.000 0.239 44 P C -0.461 176.889 177.300 0.084 0.000 1.184 44 P CA 0.908 64.089 63.100 0.135 0.000 0.760 44 P CB 0.014 31.699 31.700 -0.024 0.000 0.884 45 Y N -1.773 118.812 120.300 0.475 0.000 2.641 45 Y HA 0.313 4.864 4.550 0.002 0.000 0.248 45 Y C 0.611 176.814 175.900 0.506 0.000 1.170 45 Y CA -0.478 57.940 58.100 0.531 0.000 1.201 45 Y CB 0.328 38.968 38.460 0.299 0.000 1.232 45 Y HN -0.199 nan 8.280 nan 0.000 0.537 46 E N 0.844 121.340 120.200 0.493 0.000 2.014 46 E HA 0.162 4.513 4.350 0.002 0.000 0.275 46 E C -1.081 175.595 176.600 0.125 0.000 0.997 46 E CA -0.040 56.510 56.400 0.248 0.000 0.804 46 E CB 0.221 29.950 29.700 0.049 0.000 1.090 46 E HN 0.190 nan 8.360 nan 0.000 0.401 47 W N 2.412 123.817 121.300 0.175 0.000 2.929 47 W HA 0.458 5.119 4.660 0.002 0.000 0.345 47 W C -0.428 176.205 176.519 0.189 0.000 1.151 47 W CA -0.505 56.951 57.345 0.184 0.000 1.111 47 W CB 1.849 31.431 29.460 0.203 0.000 1.449 47 W HN 0.391 nan 8.180 nan 0.000 0.572 48 H N 1.619 120.876 119.070 0.313 0.000 3.156 48 H HA 0.039 4.596 4.556 0.002 0.000 0.319 48 H C -1.028 174.393 175.328 0.155 0.000 1.067 48 H CA -0.351 55.792 56.048 0.158 0.000 1.417 48 H CB 1.228 31.014 29.762 0.040 0.000 2.050 48 H HN 0.445 nan 8.280 nan 0.000 0.473 49 D N 3.306 123.637 120.400 -0.114 0.000 2.723 49 D HA -0.148 4.493 4.640 0.002 0.000 0.236 49 D C 1.087 177.425 176.300 0.063 0.000 1.138 49 D CA 1.941 55.879 54.000 -0.103 0.000 0.676 49 D CB -1.393 39.287 40.800 -0.200 0.000 1.069 49 D HN 1.077 nan 8.370 nan 0.000 0.430 50 G N -1.268 107.623 108.800 0.152 0.000 2.283 50 G HA2 0.051 4.012 3.960 0.002 0.000 0.280 50 G HA3 0.051 4.012 3.960 0.002 0.000 0.280 50 G C 0.267 175.402 174.900 0.392 0.000 1.029 50 G CA 0.670 45.889 45.100 0.198 0.000 0.840 50 G HN 1.347 nan 8.290 nan 0.000 0.505 51 A N -1.089 122.066 122.820 0.558 0.000 2.398 51 A HA 0.590 4.911 4.320 0.002 0.000 0.301 51 A C -0.480 177.233 177.584 0.215 0.000 1.041 51 A CA -0.473 51.818 52.037 0.424 0.000 0.711 51 A CB 0.947 20.058 19.000 0.186 0.000 1.240 51 A HN 1.301 nan 8.150 nan 0.000 0.420 52 W N 3.636 124.728 121.300 -0.347 0.000 2.469 52 W HA 0.315 4.976 4.660 0.002 0.000 0.321 52 W C 0.135 176.451 176.519 -0.339 0.000 1.415 52 W CA 0.293 57.027 57.345 -1.018 0.000 1.308 52 W CB 0.410 29.354 29.460 -0.860 0.000 1.368 52 W HN 0.688 nan 8.180 nan 0.000 0.546 53 Q N 5.701 124.979 119.800 -0.870 0.000 2.340 53 Q HA 0.423 4.764 4.340 0.002 0.000 0.249 53 Q C -0.872 174.393 176.000 -1.226 0.000 0.957 53 Q CA -0.148 55.153 55.803 -0.838 0.000 0.882 53 Q CB 1.306 29.750 28.738 -0.490 0.000 1.235 53 Q HN 0.487 nan 8.270 nan 0.000 0.439 54 F N -1.407 117.945 119.950 -0.997 0.000 2.746 54 F HA 0.304 4.832 4.527 0.002 0.000 0.311 54 F C -1.475 173.896 175.800 -0.715 0.000 1.135 54 F CA -1.247 56.121 58.000 -1.054 0.000 0.954 54 F CB 0.800 38.944 39.000 -1.427 0.000 1.276 54 F HN 0.423 nan 8.300 nan 0.000 0.440 55 Q N 1.015 120.469 119.800 -0.577 0.000 2.495 55 Q HA 0.737 5.078 4.340 0.002 0.000 0.283 55 Q C -1.665 174.136 176.000 -0.331 0.000 1.097 55 Q CA -0.865 54.673 55.803 -0.442 0.000 0.836 55 Q CB 2.261 30.732 28.738 -0.445 0.000 1.426 55 Q HN 0.912 nan 8.270 nan 0.000 0.459 56 T N 0.383 114.874 114.554 -0.105 0.000 2.881 56 T HA 0.619 4.970 4.350 0.002 0.000 0.290 56 T C -0.665 174.118 174.700 0.138 0.000 1.000 56 T CA -0.741 61.393 62.100 0.057 0.000 0.978 56 T CB 0.787 69.694 68.868 0.065 0.000 0.997 56 T HN 0.655 nan 8.240 nan 0.000 0.443 57 M N 4.863 124.604 119.600 0.235 0.000 2.578 57 M HA 0.800 5.281 4.480 0.002 0.000 0.321 57 M C -2.754 173.612 176.300 0.111 0.000 1.182 57 M CA -2.219 53.179 55.300 0.164 0.000 0.965 57 M CB 2.239 34.932 32.600 0.155 0.000 1.694 57 M HN 0.232 nan 8.290 nan 0.000 0.461 58 P HA 0.330 nan 4.420 nan 0.000 0.284 58 P C -1.435 175.928 177.300 0.105 0.000 1.253 58 P CA -0.117 63.046 63.100 0.105 0.000 0.800 58 P CB 0.999 32.765 31.700 0.109 0.000 0.961 59 M N 3.072 122.758 119.600 0.144 0.000 2.364 59 M HA 0.414 4.895 4.480 0.002 0.000 0.334 59 M C 0.661 177.182 176.300 0.368 0.000 1.107 59 M CA -0.689 54.736 55.300 0.209 0.000 0.988 59 M CB 2.251 34.990 32.600 0.232 0.000 1.673 59 M HN 0.280 nan 8.290 nan 0.000 0.441 60 R N 1.046 121.727 120.500 0.302 0.000 2.540 60 R HA 0.607 4.949 4.340 0.002 0.000 0.287 60 R C -0.791 175.554 176.300 0.075 0.000 0.980 60 R CA -1.088 55.155 56.100 0.238 0.000 0.966 60 R CB 1.343 31.690 30.300 0.078 0.000 1.106 60 R HN 0.453 nan 8.270 nan 0.000 0.480 61 K N 0.741 120.972 120.400 -0.281 0.000 2.350 61 K HA 0.050 4.371 4.320 0.002 0.000 0.279 61 K C 0.010 176.438 176.600 -0.288 0.000 1.027 61 K CA 0.160 55.994 56.287 -0.754 0.000 0.969 61 K CB 0.862 32.844 32.500 -0.863 0.000 0.954 61 K HN 0.879 nan 8.250 nan 0.000 0.474 62 T N 0.359 114.798 114.554 -0.192 0.000 3.231 62 T HA 0.470 4.821 4.350 0.002 0.000 0.292 62 T C 0.477 175.242 174.700 0.109 0.000 1.001 62 T CA -0.065 62.033 62.100 -0.004 0.000 0.920 62 T CB 0.294 69.216 68.868 0.089 0.000 1.140 62 T HN 0.747 nan 8.240 nan 0.000 0.525 63 G N 0.797 109.604 108.800 0.010 0.000 2.356 63 G HA2 0.473 4.434 3.960 0.002 0.000 0.266 63 G HA3 0.473 4.434 3.960 0.002 0.000 0.266 63 G C -1.373 173.538 174.900 0.019 0.000 1.312 63 G CA -0.092 45.068 45.100 0.099 0.000 0.922 63 G HN 1.605 nan 8.290 nan 0.000 0.480 64 S N -0.166 115.601 115.700 0.113 0.000 2.757 64 S HA 0.419 4.890 4.470 0.002 0.000 0.318 64 S C -0.763 173.926 174.600 0.148 0.000 0.688 64 S CA 0.251 58.543 58.200 0.153 0.000 0.693 64 S CB 0.267 63.461 63.200 -0.011 0.000 0.951 64 S HN 1.503 nan 8.310 nan 0.000 0.564 65 D N 3.290 123.863 120.400 0.287 0.000 2.158 65 D HA 0.408 5.049 4.640 0.002 0.000 0.275 65 D C 1.817 178.138 176.300 0.035 0.000 1.170 65 D CA 0.416 54.528 54.000 0.187 0.000 1.007 65 D CB -0.825 40.206 40.800 0.385 0.000 1.144 65 D HN 0.714 nan 8.370 nan 0.000 0.509 66 G N -1.363 107.427 108.800 -0.017 0.000 2.422 66 G HA2 -0.031 3.930 3.960 0.002 0.000 0.218 66 G HA3 -0.031 3.930 3.960 0.002 0.000 0.218 66 G C 1.418 176.218 174.900 -0.166 0.000 1.140 66 G CA 0.992 46.038 45.100 -0.089 0.000 0.775 66 G HN 0.342 nan 8.290 nan 0.000 0.545 67 L N -1.938 119.100 121.223 -0.308 0.000 2.547 67 L HA 0.478 4.819 4.340 0.002 0.000 0.218 67 L C 0.568 177.082 176.870 -0.593 0.000 1.048 67 L CA -0.192 54.325 54.840 -0.539 0.000 0.859 67 L CB -0.244 41.295 42.059 -0.867 0.000 1.128 67 L HN -0.057 nan 8.230 nan 0.000 0.483 68 F N 0.057 119.942 119.950 -0.108 0.000 2.377 68 F HA 0.383 4.911 4.527 0.002 0.000 0.335 68 F C 1.148 176.769 175.800 -0.299 0.000 1.099 68 F CA -0.662 57.180 58.000 -0.264 0.000 1.072 68 F CB 0.275 38.954 39.000 -0.536 0.000 1.417 68 F HN -0.248 nan 8.300 nan 0.000 0.495 69 D N -2.199 118.101 120.400 -0.167 0.000 2.602 69 D HA 0.123 4.764 4.640 0.002 0.000 0.284 69 D C -1.246 174.886 176.300 -0.281 0.000 1.065 69 D CA 0.557 54.408 54.000 -0.247 0.000 0.923 69 D CB 0.164 40.780 40.800 -0.306 0.000 1.373 69 D HN 0.339 nan 8.370 nan 0.000 0.492 70 Y N -0.667 119.576 120.300 -0.096 0.000 2.611 70 Y HA -0.217 4.334 4.550 0.002 0.000 0.032 70 Y C -0.050 175.755 175.900 -0.159 0.000 1.807 70 Y CA -0.176 57.836 58.100 -0.147 0.000 1.343 70 Y CB -1.232 36.861 38.460 -0.612 0.000 1.994 70 Y HN 0.090 nan 8.280 nan 0.000 0.270 71 W N 3.207 124.568 121.300 0.102 0.000 2.804 71 W HA 0.775 5.435 4.660 0.002 0.000 0.352 71 W C -0.644 175.924 176.519 0.081 0.000 1.153 71 W CA -0.993 56.397 57.345 0.076 0.000 1.119 71 W CB 1.987 31.478 29.460 0.052 0.000 1.448 71 W HN 0.447 nan 8.180 nan 0.000 0.600 72 L N 1.039 122.433 121.223 0.285 0.000 2.434 72 L HA 0.781 5.122 4.340 0.002 0.000 0.260 72 L C -1.481 175.419 176.870 0.051 0.000 0.983 72 L CA -0.455 54.453 54.840 0.113 0.000 0.820 72 L CB 1.754 43.810 42.059 -0.004 0.000 1.361 72 L HN 0.331 nan 8.230 nan 0.000 0.410 73 A N 3.134 125.922 122.820 -0.053 0.000 2.385 73 A HA 0.681 5.002 4.320 0.002 0.000 0.290 73 A C -1.073 176.355 177.584 -0.260 0.000 1.094 73 A CA -0.453 51.515 52.037 -0.115 0.000 0.729 73 A CB 0.720 19.681 19.000 -0.065 0.000 1.194 73 A HN 0.721 nan 8.150 nan 0.000 0.442 74 E N 1.410 121.446 120.200 -0.274 0.000 2.046 74 E HA 0.419 4.770 4.350 0.002 0.000 0.279 74 E C -1.074 175.367 176.600 -0.264 0.000 0.989 74 E CA -0.298 55.930 56.400 -0.287 0.000 0.798 74 E CB 1.958 31.497 29.700 -0.269 0.000 1.086 74 E HN 0.413 nan 8.360 nan 0.000 0.399 75 V N 3.797 123.529 119.914 -0.303 0.000 2.709 75 V HA 0.335 4.456 4.120 0.002 0.000 0.308 75 V C -1.395 174.511 176.094 -0.312 0.000 1.062 75 V CA -0.795 61.268 62.300 -0.396 0.000 0.901 75 V CB 1.715 33.141 31.823 -0.662 0.000 1.003 75 V HN 0.542 nan 8.190 nan 0.000 0.425 76 K N 7.837 128.080 120.400 -0.262 0.000 2.419 76 K HA 0.432 4.753 4.320 0.002 0.000 0.244 76 K C -2.678 173.810 176.600 -0.186 0.000 1.045 76 K CA -1.565 54.605 56.287 -0.195 0.000 1.004 76 K CB 1.219 33.638 32.500 -0.136 0.000 1.376 76 K HN 0.540 nan 8.250 nan 0.000 0.460 77 P HA 0.117 nan 4.420 nan 0.000 0.271 77 P C -2.492 174.738 177.300 -0.117 0.000 1.220 77 P CA -1.210 61.832 63.100 -0.097 0.000 0.768 77 P CB 0.138 31.798 31.700 -0.068 0.000 0.848 78 P HA 0.006 nan 4.420 nan 0.000 0.271 78 P C -0.321 176.784 177.300 -0.326 0.000 1.216 78 P CA 0.109 62.968 63.100 -0.402 0.000 0.776 78 P CB 0.103 31.458 31.700 -0.576 0.000 0.881 79 Y N 0.580 120.882 120.300 0.003 0.000 4.916 79 Y HA -0.327 4.224 4.550 0.002 0.000 0.247 79 Y C 1.301 177.129 175.900 -0.120 0.000 0.962 79 Y CA 1.197 59.309 58.100 0.021 0.000 1.933 79 Y CB -2.902 35.614 38.460 0.094 0.000 1.451 79 Y HN 0.499 nan 8.280 nan 0.000 0.539 80 R N -1.287 119.114 120.500 -0.166 0.000 3.954 80 R HA -0.197 4.144 4.340 0.002 0.000 0.422 80 R C -0.218 175.837 176.300 -0.407 0.000 1.091 80 R CA 1.532 57.342 56.100 -0.482 0.000 1.168 80 R CB -1.409 28.246 30.300 -1.075 0.000 1.752 80 R HN 0.633 nan 8.270 nan 0.000 0.547 81 R N 0.739 121.237 120.500 -0.003 0.000 2.670 81 R HA 0.790 5.131 4.340 0.002 0.000 0.289 81 R C -0.812 175.666 176.300 0.297 0.000 0.965 81 R CA -1.048 55.195 56.100 0.239 0.000 0.899 81 R CB 1.995 32.568 30.300 0.455 0.000 1.173 81 R HN 0.061 nan 8.270 nan 0.000 0.456 82 L N 0.422 121.852 121.223 0.345 0.000 2.545 82 L HA 0.512 4.853 4.340 0.002 0.000 0.258 82 L C -1.390 175.728 176.870 0.413 0.000 0.942 82 L CA -0.564 54.498 54.840 0.370 0.000 0.855 82 L CB 2.328 44.549 42.059 0.270 0.000 1.374 82 L HN 0.581 nan 8.230 nan 0.000 0.411 83 R N 3.025 123.758 120.500 0.388 0.000 2.562 83 R HA 0.624 4.965 4.340 0.002 0.000 0.298 83 R C -1.755 174.705 176.300 0.268 0.000 0.961 83 R CA -0.562 55.656 56.100 0.197 0.000 0.881 83 R CB 1.963 32.176 30.300 -0.146 0.000 1.159 83 R HN 0.710 nan 8.270 nan 0.000 0.450 84 Y N -1.743 118.575 120.300 0.030 0.000 2.615 84 Y HA 0.836 5.387 4.550 0.002 0.000 0.341 84 Y C -0.501 175.275 175.900 -0.206 0.000 1.089 84 Y CA -1.239 56.773 58.100 -0.147 0.000 1.049 84 Y CB 1.622 39.964 38.460 -0.196 0.000 1.296 84 Y HN 0.657 nan 8.280 nan 0.000 0.470 85 G N 0.451 109.047 108.800 -0.340 0.000 2.684 85 G HA2 0.652 4.613 3.960 0.002 0.000 0.290 85 G HA3 0.652 4.613 3.960 0.002 0.000 0.290 85 G C -2.460 172.187 174.900 -0.421 0.000 1.425 85 G CA -1.101 43.886 45.100 -0.188 0.000 0.822 85 G HN 0.490 nan 8.290 nan 0.000 0.482 86 F N -0.411 119.659 119.950 0.200 0.000 2.532 86 F HA 0.555 5.083 4.527 0.002 0.000 0.321 86 F C 0.113 176.014 175.800 0.168 0.000 1.089 86 F CA -0.961 57.138 58.000 0.164 0.000 0.926 86 F CB 2.785 41.902 39.000 0.194 0.000 1.168 86 F HN 0.194 nan 8.300 nan 0.000 0.459 87 V N 4.646 124.716 119.914 0.260 0.000 2.250 87 V HA 0.291 4.412 4.120 0.002 0.000 0.268 87 V C -0.383 175.784 176.094 0.122 0.000 1.043 87 V CA -0.640 61.769 62.300 0.183 0.000 0.814 87 V CB 0.160 32.056 31.823 0.122 0.000 1.072 87 V HN 0.562 nan 8.190 nan 0.000 0.451 88 L N 2.928 124.218 121.223 0.112 0.000 2.265 88 L HA 0.719 5.060 4.340 0.002 0.000 0.288 88 L C 0.117 176.997 176.870 0.017 0.000 1.058 88 L CA -0.582 54.255 54.840 -0.006 0.000 0.809 88 L CB 0.456 42.460 42.059 -0.091 0.000 1.179 88 L HN 0.427 nan 8.230 nan 0.000 0.429 89 R N 3.566 124.078 120.500 0.020 0.000 2.343 89 R HA 0.675 5.016 4.340 0.002 0.000 0.320 89 R C -0.559 175.772 176.300 0.053 0.000 0.956 89 R CA -0.637 55.480 56.100 0.028 0.000 0.836 89 R CB 1.985 32.282 30.300 -0.004 0.000 1.151 89 R HN 0.803 nan 8.270 nan 0.000 0.450 90 A N 2.449 125.294 122.820 0.040 0.000 3.150 90 A HA 0.589 4.910 4.320 0.002 0.000 0.328 90 A C 0.815 178.427 177.584 0.047 0.000 1.104 90 A CA 0.054 52.127 52.037 0.059 0.000 0.937 90 A CB 0.028 19.052 19.000 0.040 0.000 1.073 90 A HN 1.031 nan 8.150 nan 0.000 0.497 91 G N 0.857 109.684 108.800 0.045 0.000 2.848 91 G HA2 -0.050 3.911 3.960 0.002 0.000 0.246 91 G HA3 -0.050 3.911 3.960 0.002 0.000 0.246 91 G C 1.183 176.088 174.900 0.009 0.000 1.374 91 G CA 0.247 45.363 45.100 0.027 0.000 0.982 91 G HN 1.440 nan 8.290 nan 0.000 0.563 92 G N 0.771 109.577 108.800 0.010 0.000 2.603 92 G HA2 0.384 4.345 3.960 0.002 0.000 0.214 92 G HA3 0.384 4.345 3.960 0.002 0.000 0.214 92 G C 0.657 175.566 174.900 0.014 0.000 1.140 92 G CA 1.288 46.391 45.100 0.006 0.000 0.800 92 G HN 0.899 nan 8.290 nan 0.000 0.533 93 E N 0.794 121.005 120.200 0.018 0.000 2.384 93 E HA 0.282 4.633 4.350 0.002 0.000 0.266 93 E C -0.412 176.211 176.600 0.038 0.000 1.012 93 E CA -0.153 56.264 56.400 0.028 0.000 0.901 93 E CB 0.414 30.122 29.700 0.015 0.000 0.967 93 E HN -0.064 nan 8.360 nan 0.000 0.435 94 K N 5.276 125.717 120.400 0.068 0.000 2.578 94 K HA 0.258 4.579 4.320 0.002 0.000 0.250 94 K C -1.715 174.959 176.600 0.123 0.000 0.955 94 K CA -0.740 55.597 56.287 0.084 0.000 0.825 94 K CB 0.801 33.352 32.500 0.084 0.000 1.151 94 K HN 0.414 nan 8.250 nan 0.000 0.432 95 L N 2.479 123.773 121.223 0.118 0.000 2.313 95 L HA 0.546 4.887 4.340 0.002 0.000 0.268 95 L C -0.378 176.651 176.870 0.266 0.000 1.010 95 L CA -0.867 54.074 54.840 0.168 0.000 0.814 95 L CB 2.025 44.152 42.059 0.114 0.000 1.304 95 L HN 0.286 nan 8.230 nan 0.000 0.441 96 V N 1.482 121.618 119.914 0.369 0.000 2.467 96 V HA 0.184 4.305 4.120 0.002 0.000 0.260 96 V C -0.932 175.438 176.094 0.459 0.000 0.963 96 V CA -0.721 61.800 62.300 0.369 0.000 0.856 96 V CB 0.397 32.394 31.823 0.290 0.000 1.087 96 V HN 0.524 nan 8.190 nan 0.000 0.467 97 Y N 3.748 124.259 120.300 0.352 0.000 2.717 97 Y HA 0.428 4.979 4.550 0.002 0.000 0.330 97 Y C 0.787 176.814 175.900 0.212 0.000 1.217 97 Y CA 0.712 58.870 58.100 0.097 0.000 1.506 97 Y CB 0.707 39.308 38.460 0.234 0.000 1.268 97 Y HN 0.720 nan 8.280 nan 0.000 0.561 98 T N 1.074 115.403 114.554 -0.375 0.000 2.841 98 T HA 0.240 4.591 4.350 0.002 0.000 0.296 98 T C 0.620 174.571 174.700 -1.248 0.000 1.166 98 T CA -0.445 61.335 62.100 -0.532 0.000 1.007 98 T CB 1.421 70.115 68.868 -0.290 0.000 1.253 98 T HN 0.698 nan 8.240 nan 0.000 0.511 99 E N 0.091 119.155 120.200 -1.893 0.000 2.204 99 E HA -0.149 4.202 4.350 0.002 0.000 0.195 99 E C 1.511 177.677 176.600 -0.723 0.000 0.990 99 E CA 1.060 56.451 56.400 -1.682 0.000 0.821 99 E CB 0.031 28.965 29.700 -1.276 0.000 0.750 99 E HN 0.472 nan 8.360 nan 0.000 0.477 100 K N -0.562 119.531 120.400 -0.512 0.000 2.186 100 K HA 0.180 4.501 4.320 0.002 0.000 0.202 100 K C 0.414 176.911 176.600 -0.172 0.000 1.052 100 K CA 0.864 57.007 56.287 -0.241 0.000 0.965 100 K CB 0.840 33.286 32.500 -0.090 0.000 0.746 100 K HN 0.277 nan 8.250 nan 0.000 0.457 101 G N -1.847 106.821 108.800 -0.221 0.000 2.351 101 G HA2 0.148 4.109 3.960 0.002 0.000 0.279 101 G HA3 0.148 4.109 3.960 0.002 0.000 0.279 101 G C -1.493 173.207 174.900 -0.333 0.000 1.297 101 G CA -1.036 43.898 45.100 -0.276 0.000 0.886 101 G HN -0.065 nan 8.290 nan 0.000 0.493 102 F N -0.088 119.758 119.950 -0.174 0.000 2.399 102 F HA 0.834 5.362 4.527 0.002 0.000 0.328 102 F C -0.246 175.244 175.800 -0.517 0.000 1.084 102 F CA -0.179 57.744 58.000 -0.129 0.000 1.053 102 F CB 1.774 40.719 39.000 -0.092 0.000 1.209 102 F HN 0.373 nan 8.300 nan 0.000 0.502 103 Y N -0.654 119.708 120.300 0.102 0.000 2.442 103 Y HA 0.213 4.764 4.550 0.002 0.000 0.330 103 Y C 0.298 176.177 175.900 -0.034 0.000 1.100 103 Y CA -0.968 57.104 58.100 -0.047 0.000 1.034 103 Y CB 1.173 39.596 38.460 -0.062 0.000 1.285 103 Y HN 0.575 nan 8.280 nan 0.000 0.440 104 H N -0.350 118.838 119.070 0.197 0.000 2.543 104 H HA -0.005 4.552 4.556 0.002 0.000 0.286 104 H C 0.269 175.678 175.328 0.136 0.000 1.037 104 H CA 1.109 57.237 56.048 0.132 0.000 1.250 104 H CB 0.447 30.259 29.762 0.083 0.000 1.373 104 H HN 0.410 nan 8.280 nan 0.000 0.580 105 E N -0.499 119.853 120.200 0.253 0.000 2.433 105 E HA 0.561 4.912 4.350 0.002 0.000 0.278 105 E C -1.227 175.441 176.600 0.114 0.000 0.976 105 E CA -0.907 55.596 56.400 0.171 0.000 0.793 105 E CB 1.206 30.988 29.700 0.137 0.000 1.311 105 E HN 0.089 nan 8.360 nan 0.000 0.460 106 A N 3.315 126.201 122.820 0.111 0.000 2.350 106 A HA 0.509 4.830 4.320 0.002 0.000 0.293 106 A C -2.203 175.380 177.584 -0.000 0.000 1.231 106 A CA -1.162 50.928 52.037 0.088 0.000 0.883 106 A CB -0.510 18.599 19.000 0.181 0.000 1.133 106 A HN 0.324 nan 8.150 nan 0.000 0.533 107 P HA 0.112 nan 4.420 nan 0.000 0.268 107 P C 0.652 177.882 177.300 -0.116 0.000 1.204 107 P CA 0.214 62.944 63.100 -0.616 0.000 0.768 107 P CB 1.275 31.854 31.700 -1.869 0.000 0.842 108 S N 1.296 117.044 115.700 0.080 0.000 2.604 108 S HA -0.003 4.468 4.470 0.002 0.000 0.235 108 S C 1.098 175.913 174.600 0.358 0.000 1.043 108 S CA 0.295 58.712 58.200 0.362 0.000 0.997 108 S CB -0.423 62.974 63.200 0.328 0.000 0.956 108 S HN 0.453 nan 8.310 nan 0.000 0.535 109 D N 0.725 121.298 120.400 0.288 0.000 2.224 109 D HA 0.059 4.700 4.640 0.002 0.000 0.205 109 D C 0.450 177.009 176.300 0.431 0.000 0.965 109 D CA 0.855 55.060 54.000 0.343 0.000 0.852 109 D CB -0.060 40.890 40.800 0.249 0.000 0.947 109 D HN 0.295 nan 8.370 nan 0.000 0.494 110 D N -2.136 118.542 120.400 0.463 0.000 2.645 110 D HA 0.232 4.873 4.640 0.002 0.000 0.228 110 D C 0.637 177.009 176.300 0.118 0.000 1.148 110 D CA -0.371 53.788 54.000 0.265 0.000 0.860 110 D CB 2.115 42.830 40.800 -0.143 0.000 1.548 110 D HN -0.047 nan 8.370 nan 0.000 0.460 111 T N -0.525 113.969 114.554 -0.099 0.000 3.009 111 T HA 0.157 4.509 4.350 0.002 0.000 0.258 111 T C 1.847 176.306 174.700 -0.401 0.000 1.063 111 T CA 0.659 62.454 62.100 -0.508 0.000 1.139 111 T CB -0.131 68.366 68.868 -0.618 0.000 0.890 111 T HN 0.355 nan 8.240 nan 0.000 0.471 112 A N 0.596 123.208 122.820 -0.347 0.000 2.204 112 A HA -0.083 4.238 4.320 0.002 0.000 0.220 112 A C 1.882 179.181 177.584 -0.476 0.000 1.165 112 A CA 1.109 52.917 52.037 -0.382 0.000 0.671 112 A CB -1.174 17.600 19.000 -0.376 0.000 0.792 112 A HN 0.591 nan 8.150 nan 0.000 0.473 113 Y N -1.458 118.525 120.300 -0.527 0.000 2.163 113 Y HA -0.061 4.490 4.550 0.002 0.000 0.288 113 Y C 0.969 176.398 175.900 -0.784 0.000 1.136 113 Y CA 0.952 58.618 58.100 -0.724 0.000 1.147 113 Y CB -0.622 37.164 38.460 -1.123 0.000 0.987 113 Y HN 0.385 nan 8.280 nan 0.000 0.509 114 Y N -1.349 118.739 120.300 -0.354 0.000 2.334 114 Y HA 0.282 4.833 4.550 0.002 0.000 0.325 114 Y C 0.135 175.701 175.900 -0.556 0.000 1.308 114 Y CA -1.926 55.878 58.100 -0.493 0.000 1.389 114 Y CB -0.129 38.066 38.460 -0.442 0.000 1.328 114 Y HN -0.242 nan 8.280 nan 0.000 0.532 115 F N 0.008 119.724 119.950 -0.391 0.000 2.480 115 F HA 0.303 4.831 4.527 0.002 0.000 0.319 115 F C 0.544 176.004 175.800 -0.566 0.000 1.230 115 F CA -0.109 57.558 58.000 -0.555 0.000 1.285 115 F CB 0.341 38.800 39.000 -0.901 0.000 1.208 115 F HN 0.402 nan 8.300 nan 0.000 0.579 116 C N 2.780 122.031 119.300 -0.081 0.000 2.782 116 C HA 0.563 5.024 4.460 0.002 0.000 0.328 116 C C -1.334 173.848 174.990 0.321 0.000 1.145 116 C CA -1.072 58.005 59.018 0.099 0.000 1.358 116 C CB 0.040 27.807 27.740 0.045 0.000 1.841 116 C HN 0.652 nan 8.230 nan 0.000 0.477 117 F N 7.921 128.074 119.950 0.338 0.000 2.307 117 F HA 0.477 5.005 4.527 0.002 0.000 0.369 117 F C -1.682 174.274 175.800 0.259 0.000 1.076 117 F CA -2.244 55.944 58.000 0.312 0.000 1.149 117 F CB 1.075 40.258 39.000 0.304 0.000 1.410 117 F HN 0.477 nan 8.300 nan 0.000 0.481 118 P HA -0.224 nan 4.420 nan 0.000 0.210 118 P C -0.530 177.095 177.300 0.542 0.000 1.151 118 P CA 1.811 65.125 63.100 0.357 0.000 0.949 118 P CB 0.172 32.016 31.700 0.239 0.000 0.786 119 F N -2.384 117.779 119.950 0.354 0.000 2.588 119 F HA 0.409 4.937 4.527 0.002 0.000 0.314 119 F C -0.962 175.033 175.800 0.325 0.000 1.134 119 F CA -1.022 57.143 58.000 0.276 0.000 0.961 119 F CB 1.243 40.328 39.000 0.142 0.000 1.239 119 F HN -0.302 nan 8.300 nan 0.000 0.448 120 L N 6.787 127.945 121.223 -0.108 0.000 2.385 120 L HA 0.287 4.628 4.340 0.002 0.000 0.281 120 L C -0.752 176.084 176.870 -0.058 0.000 1.106 120 L CA 0.123 54.992 54.840 0.049 0.000 0.856 120 L CB -0.270 41.671 42.059 -0.198 0.000 1.186 120 L HN 0.504 nan 8.230 nan 0.000 0.453 121 H N 4.870 124.129 119.070 0.314 0.000 2.505 121 H HA 0.177 4.734 4.556 0.002 0.000 0.338 121 H C 0.376 175.821 175.328 0.195 0.000 1.057 121 H CA -0.568 55.651 56.048 0.286 0.000 1.202 121 H CB 1.910 31.846 29.762 0.290 0.000 1.466 121 H HN 0.640 nan 8.280 nan 0.000 0.499 122 R N 2.472 123.125 120.500 0.256 0.000 2.083 122 R HA -0.119 4.222 4.340 0.002 0.000 0.237 122 R C 1.385 177.783 176.300 0.163 0.000 1.137 122 R CA 1.628 57.830 56.100 0.170 0.000 0.951 122 R CB -0.339 30.038 30.300 0.129 0.000 0.851 122 R HN 0.380 nan 8.270 nan 0.000 0.434 123 V N 1.720 121.741 119.914 0.178 0.000 2.568 123 V HA -0.199 3.923 4.120 0.002 0.000 0.253 123 V C 0.713 176.879 176.094 0.121 0.000 1.072 123 V CA 2.261 64.636 62.300 0.124 0.000 1.084 123 V CB -0.274 31.610 31.823 0.101 0.000 0.676 123 V HN 0.428 nan 8.190 nan 0.000 0.469 124 D N -0.739 119.768 120.400 0.178 0.000 2.349 124 D HA 0.152 4.793 4.640 0.002 0.000 0.214 124 D C 0.509 176.929 176.300 0.200 0.000 1.063 124 D CA -0.165 53.939 54.000 0.174 0.000 0.847 124 D CB 0.188 41.108 40.800 0.201 0.000 0.933 124 D HN 0.338 nan 8.370 nan 0.000 0.513 125 L N 1.139 122.475 121.223 0.187 0.000 2.453 125 L HA 0.113 4.454 4.340 0.002 0.000 0.272 125 L C -0.354 176.608 176.870 0.154 0.000 1.182 125 L CA -0.170 54.779 54.840 0.182 0.000 0.858 125 L CB 0.225 42.361 42.059 0.129 0.000 1.120 125 L HN -0.149 nan 8.230 nan 0.000 0.474 126 F N 5.111 125.081 119.950 0.035 0.000 2.438 126 F HA 0.314 4.842 4.527 0.002 0.000 0.360 126 F C -0.067 175.701 175.800 -0.052 0.000 1.118 126 F CA 0.014 58.007 58.000 -0.011 0.000 1.164 126 F CB 0.041 39.015 39.000 -0.042 0.000 1.131 126 F HN 0.481 nan 8.300 nan 0.000 0.527 127 Q N 6.119 125.694 119.800 -0.375 0.000 2.397 127 Q HA 0.547 4.888 4.340 0.002 0.000 0.260 127 Q C -0.741 175.052 176.000 -0.344 0.000 1.002 127 Q CA -0.867 54.788 55.803 -0.246 0.000 0.716 127 Q CB 1.792 30.462 28.738 -0.114 0.000 1.258 127 Q HN 0.788 nan 8.270 nan 0.000 0.477 128 A N 3.399 126.052 122.820 -0.279 0.000 2.286 128 A HA 0.703 5.024 4.320 0.002 0.000 0.286 128 A C -2.324 175.197 177.584 -0.105 0.000 1.097 128 A CA -1.427 50.491 52.037 -0.199 0.000 0.821 128 A CB 0.031 18.992 19.000 -0.065 0.000 1.076 128 A HN 0.378 nan 8.150 nan 0.000 0.490 129 P HA 0.068 nan 4.420 nan 0.000 0.263 129 P C -0.069 177.126 177.300 -0.176 0.000 1.195 129 P CA 0.397 63.434 63.100 -0.105 0.000 0.762 129 P CB 0.505 32.098 31.700 -0.178 0.000 0.799 130 D N 3.315 123.702 120.400 -0.022 0.000 2.263 130 D HA -0.154 4.487 4.640 0.002 0.000 0.208 130 D C 1.331 177.660 176.300 0.047 0.000 0.971 130 D CA 0.798 54.803 54.000 0.008 0.000 0.867 130 D CB -0.130 40.704 40.800 0.057 0.000 0.929 130 D HN 0.549 nan 8.370 nan 0.000 0.492 131 W N 0.561 121.880 121.300 0.032 0.000 2.418 131 W HA -0.075 4.586 4.660 0.002 0.000 0.292 131 W C 1.666 178.180 176.519 -0.008 0.000 1.213 131 W CA 1.070 58.417 57.345 0.004 0.000 1.283 131 W CB -1.183 28.275 29.460 -0.002 0.000 1.119 131 W HN -0.017 nan 8.180 nan 0.000 0.542 132 V N 0.900 120.409 119.914 -0.675 0.000 2.867 132 V HA -0.158 3.963 4.120 0.002 0.000 0.260 132 V C 2.125 178.122 176.094 -0.163 0.000 1.099 132 V CA 1.763 63.695 62.300 -0.612 0.000 1.122 132 V CB -0.800 30.438 31.823 -0.975 0.000 0.708 132 V HN 0.114 nan 8.190 nan 0.000 0.490 133 K N -0.019 120.325 120.400 -0.094 0.000 2.365 133 K HA -0.043 4.278 4.320 0.002 0.000 0.199 133 K C 1.237 177.837 176.600 0.000 0.000 1.045 133 K CA 1.291 57.563 56.287 -0.024 0.000 0.962 133 K CB -0.044 32.449 32.500 -0.011 0.000 0.759 133 K HN 0.520 nan 8.250 nan 0.000 0.469 134 D N -0.099 120.312 120.400 0.018 0.000 2.423 134 D HA -0.039 4.602 4.640 0.002 0.000 0.208 134 D C 0.884 177.176 176.300 -0.014 0.000 1.068 134 D CA 0.418 54.426 54.000 0.014 0.000 0.860 134 D CB 0.398 41.218 40.800 0.034 0.000 0.992 134 D HN 0.170 nan 8.370 nan 0.000 0.504 135 T N -0.979 113.556 114.554 -0.033 0.000 2.816 135 T HA 0.416 4.767 4.350 0.002 0.000 0.282 135 T C 0.104 174.691 174.700 -0.189 0.000 0.993 135 T CA -0.459 61.550 62.100 -0.152 0.000 0.994 135 T CB 1.564 70.254 68.868 -0.296 0.000 1.025 135 T HN -0.241 nan 8.240 nan 0.000 0.529 136 V N 2.277 122.043 119.914 -0.248 0.000 2.409 136 V HA 0.358 4.479 4.120 0.002 0.000 0.290 136 V C -0.763 175.241 176.094 -0.150 0.000 1.017 136 V CA -1.158 61.064 62.300 -0.130 0.000 0.841 136 V CB 0.828 32.616 31.823 -0.057 0.000 1.003 136 V HN 0.951 nan 8.190 nan 0.000 0.426 137 W N 3.490 124.807 121.300 0.029 0.000 2.184 137 W HA 0.524 5.186 4.660 0.002 0.000 0.338 137 W C -0.383 176.244 176.519 0.180 0.000 1.257 137 W CA -0.061 57.356 57.345 0.121 0.000 1.243 137 W CB 0.577 30.117 29.460 0.135 0.000 1.122 137 W HN 0.575 nan 8.180 nan 0.000 0.585 138 Y N 2.596 123.111 120.300 0.359 0.000 2.331 138 Y HA 0.179 4.731 4.550 0.002 0.000 0.326 138 Y C -0.496 175.561 175.900 0.262 0.000 1.020 138 Y CA -1.232 57.009 58.100 0.235 0.000 1.136 138 Y CB 1.086 39.625 38.460 0.131 0.000 1.157 138 Y HN 0.437 nan 8.280 nan 0.000 0.444 139 Q N 8.572 128.389 119.800 0.029 0.000 2.368 139 Q HA 0.455 4.796 4.340 0.002 0.000 0.256 139 Q C -0.986 174.932 176.000 -0.137 0.000 0.980 139 Q CA -0.684 55.136 55.803 0.028 0.000 0.887 139 Q CB 0.879 29.742 28.738 0.209 0.000 1.221 139 Q HN 0.826 nan 8.270 nan 0.000 0.458 140 I N 1.237 121.657 120.570 -0.249 0.000 2.498 140 I HA 0.454 4.625 4.170 0.002 0.000 0.301 140 I C -1.221 174.726 176.117 -0.284 0.000 0.984 140 I CA -0.830 60.209 61.300 -0.437 0.000 1.204 140 I CB 1.249 38.795 38.000 -0.756 0.000 1.362 140 I HN 0.624 nan 8.210 nan 0.000 0.471 141 F N 8.596 128.236 119.950 -0.516 0.000 2.334 141 F HA 0.508 5.036 4.527 0.002 0.000 0.343 141 F C -1.972 173.627 175.800 -0.334 0.000 1.136 141 F CA -3.106 54.715 58.000 -0.297 0.000 1.237 141 F CB -0.189 38.781 39.000 -0.049 0.000 1.525 141 F HN 0.331 nan 8.300 nan 0.000 0.528 142 P HA -0.326 nan 4.420 nan 0.000 0.230 142 P C 1.364 178.441 177.300 -0.372 0.000 1.124 142 P CA 1.746 64.627 63.100 -0.365 0.000 0.985 142 P CB 0.150 31.387 31.700 -0.773 0.000 0.774 143 E N -0.973 119.085 120.200 -0.238 0.000 2.533 143 E HA -0.148 4.203 4.350 0.002 0.000 0.203 143 E C 0.538 176.980 176.600 -0.264 0.000 1.101 143 E CA 0.675 56.987 56.400 -0.146 0.000 0.894 143 E CB -0.063 29.674 29.700 0.062 0.000 0.843 143 E HN 0.266 nan 8.360 nan 0.000 0.552 144 R N -1.462 118.821 120.500 -0.363 0.000 2.493 144 R HA 0.070 4.411 4.340 0.002 0.000 0.404 144 R C 0.566 176.685 176.300 -0.301 0.000 0.834 144 R CA -0.144 55.747 56.100 -0.348 0.000 1.056 144 R CB -0.684 29.337 30.300 -0.466 0.000 1.620 144 R HN 0.002 nan 8.270 nan 0.000 0.570 145 F N 1.323 121.031 119.950 -0.403 0.000 2.394 145 F HA 0.591 5.119 4.527 0.002 0.000 0.269 145 F C -0.132 175.631 175.800 -0.061 0.000 1.012 145 F CA 0.145 57.935 58.000 -0.351 0.000 1.138 145 F CB 0.397 39.215 39.000 -0.304 0.000 1.140 145 F HN -0.040 nan 8.300 nan 0.000 0.623 146 A N 0.714 123.460 122.820 -0.124 0.000 2.437 146 A HA 0.387 4.708 4.320 0.002 0.000 0.293 146 A C -1.250 176.307 177.584 -0.045 0.000 1.038 146 A CA -0.616 51.313 52.037 -0.180 0.000 0.708 146 A CB 0.370 19.000 19.000 -0.617 0.000 1.251 146 A HN 0.396 nan 8.150 nan 0.000 0.409 147 N N 1.394 120.090 118.700 -0.007 0.000 2.458 147 N HA 0.508 5.249 4.740 0.002 0.000 0.270 147 N C 0.511 176.027 175.510 0.011 0.000 1.102 147 N CA 0.527 53.584 53.050 0.012 0.000 0.967 147 N CB 0.793 39.297 38.487 0.028 0.000 1.078 147 N HN 0.825 nan 8.380 nan 0.000 0.471 148 G N 1.676 110.485 108.800 0.015 0.000 3.075 148 G HA2 0.097 4.058 3.960 0.002 0.000 0.253 148 G HA3 0.097 4.058 3.960 0.002 0.000 0.253 148 G C -0.612 174.298 174.900 0.017 0.000 1.353 148 G CA -0.862 44.246 45.100 0.013 0.000 1.051 148 G HN 0.808 nan 8.290 nan 0.000 0.553 149 N N 0.882 119.592 118.700 0.017 0.000 1.865 149 N HA -0.041 4.700 4.740 0.002 0.000 0.287 149 N C -2.023 173.501 175.510 0.023 0.000 1.348 149 N CA -0.413 52.649 53.050 0.020 0.000 0.968 149 N CB -0.185 38.320 38.487 0.030 0.000 1.358 149 N HN 0.022 nan 8.380 nan 0.000 0.478 150 P HA -0.031 nan 4.420 nan 0.000 0.221 150 P C -0.738 176.561 177.300 -0.000 0.000 1.287 150 P CA 0.419 63.522 63.100 0.005 0.000 1.317 150 P CB -0.185 31.515 31.700 -0.001 0.000 1.721 151 A N 2.969 125.795 122.820 0.009 0.000 2.793 151 A HA 0.344 4.665 4.320 0.002 0.000 0.301 151 A C 0.568 178.126 177.584 -0.042 0.000 1.172 151 A CA -0.500 51.541 52.037 0.008 0.000 0.973 151 A CB -0.728 18.305 19.000 0.056 0.000 1.164 151 A HN 0.504 nan 8.150 nan 0.000 0.542 152 I N -2.732 117.782 120.570 -0.093 0.000 3.502 152 I HA 0.623 4.794 4.170 0.002 0.000 0.302 152 I C 0.245 176.123 176.117 -0.399 0.000 1.170 152 I CA -0.544 60.631 61.300 -0.208 0.000 0.953 152 I CB 1.019 38.972 38.000 -0.079 0.000 1.475 152 I HN 0.053 nan 8.210 nan 0.000 0.657 153 S N 1.730 117.123 115.700 -0.511 0.000 2.565 153 S HA 0.367 4.838 4.470 0.002 0.000 0.274 153 S C -2.300 172.177 174.600 -0.205 0.000 1.309 153 S CA -1.055 56.845 58.200 -0.499 0.000 1.043 153 S CB 0.115 62.894 63.200 -0.701 0.000 0.939 153 S HN 0.617 nan 8.310 nan 0.000 0.504 154 P HA 0.363 nan 4.420 nan 0.000 0.264 154 P C -0.319 176.969 177.300 -0.019 0.000 1.537 154 P CA 0.183 63.245 63.100 -0.062 0.000 1.189 154 P CB -0.481 31.191 31.700 -0.047 0.000 1.687 155 K N 0.699 121.089 120.400 -0.018 0.000 2.711 155 K HA 0.580 4.901 4.320 0.002 0.000 0.294 155 K C 0.132 176.679 176.600 -0.088 0.000 1.037 155 K CA -0.244 56.031 56.287 -0.020 0.000 0.858 155 K CB -0.222 32.314 32.500 0.060 0.000 1.521 155 K HN 0.429 nan 8.250 nan 0.000 0.386 156 G N 0.588 109.291 108.800 -0.163 0.000 2.938 156 G HA2 0.386 4.347 3.960 0.002 0.000 0.324 156 G HA3 0.386 4.347 3.960 0.002 0.000 0.324 156 G C 0.809 175.596 174.900 -0.189 0.000 0.220 156 G CA 1.113 46.057 45.100 -0.260 0.000 1.222 156 G HN 2.086 nan 8.290 nan 0.000 0.274 157 A N 4.492 127.280 122.820 -0.053 0.000 2.262 157 A HA 0.564 4.885 4.320 0.002 0.000 0.275 157 A C 1.448 179.144 177.584 0.187 0.000 1.402 157 A CA 0.033 52.097 52.037 0.045 0.000 0.817 157 A CB 0.205 19.231 19.000 0.044 0.000 1.271 157 A HN 0.829 nan 8.150 nan 0.000 0.520 158 R N -0.162 120.457 120.500 0.198 0.000 2.919 158 R HA 0.149 4.490 4.340 0.002 0.000 0.284 158 R C -1.953 174.522 176.300 0.291 0.000 1.104 158 R CA -0.857 55.395 56.100 0.254 0.000 1.207 158 R CB -1.169 29.202 30.300 0.118 0.000 1.162 158 R HN 0.476 nan 8.270 nan 0.000 0.561 159 P HA -0.240 nan 4.420 nan 0.000 0.280 159 P C -0.242 177.155 177.300 0.161 0.000 1.279 159 P CA 1.111 64.264 63.100 0.088 0.000 0.866 159 P CB 0.139 31.828 31.700 -0.019 0.000 0.770 160 W N 0.254 121.632 121.300 0.129 0.000 3.229 160 W HA 0.659 5.321 4.660 0.002 0.000 0.594 160 W C 0.982 177.535 176.519 0.057 0.000 1.525 160 W CA -0.296 57.114 57.345 0.108 0.000 0.876 160 W CB -0.443 29.101 29.460 0.139 0.000 3.046 160 W HN 0.666 nan 8.180 nan 0.000 0.703 161 G N 0.167 108.997 108.800 0.050 0.000 2.690 161 G HA2 0.443 4.404 3.960 0.002 0.000 0.239 161 G HA3 0.443 4.404 3.960 0.002 0.000 0.239 161 G C 1.302 176.215 174.900 0.021 0.000 1.233 161 G CA 0.991 46.110 45.100 0.031 0.000 0.847 161 G HN 1.974 nan 8.290 nan 0.000 0.588 162 S N -0.440 115.267 115.700 0.013 0.000 2.423 162 S HA 0.305 4.776 4.470 0.002 0.000 0.238 162 S C 1.173 175.775 174.600 0.004 0.000 1.028 162 S CA 2.455 60.658 58.200 0.004 0.000 1.000 162 S CB -0.429 62.773 63.200 0.004 0.000 0.797 162 S HN 1.507 nan 8.310 nan 0.000 0.487 163 E N -2.466 117.742 120.200 0.012 0.000 2.366 163 E HA 0.533 4.884 4.350 0.002 0.000 0.278 163 E C -0.098 176.517 176.600 0.026 0.000 0.923 163 E CA 0.546 56.955 56.400 0.015 0.000 0.761 163 E CB -0.101 29.606 29.700 0.013 0.000 1.231 163 E HN 1.362 nan 8.360 nan 0.000 0.443 164 D N -0.937 119.482 120.400 0.033 0.000 2.703 164 D HA -0.098 4.543 4.640 0.002 0.000 0.185 164 D C -1.010 175.333 176.300 0.071 0.000 0.893 164 D CA 0.534 54.562 54.000 0.045 0.000 0.978 164 D CB -2.706 38.118 40.800 0.040 0.000 1.029 164 D HN 0.721 nan 8.370 nan 0.000 0.468 165 P HA 0.525 nan 4.420 nan 0.000 0.329 165 P C 0.423 177.817 177.300 0.158 0.000 1.319 165 P CA 1.414 64.604 63.100 0.151 0.000 0.742 165 P CB -0.337 31.416 31.700 0.089 0.000 1.564 166 T N -2.122 112.576 114.554 0.241 0.000 3.177 166 T HA -0.061 4.290 4.350 0.002 0.000 0.439 166 T C -2.220 172.592 174.700 0.185 0.000 0.771 166 T CA 0.102 62.334 62.100 0.219 0.000 2.254 166 T CB -2.166 66.757 68.868 0.091 0.000 1.667 166 T HN 0.438 nan 8.240 nan 0.000 0.619 167 P HA 0.337 nan 4.420 nan 0.000 0.257 167 P C 0.118 177.441 177.300 0.039 0.000 1.737 167 P CA -0.248 62.902 63.100 0.083 0.000 1.130 167 P CB -0.187 31.538 31.700 0.043 0.000 1.572 168 T N -2.347 112.247 114.554 0.067 0.000 3.970 168 T HA -0.139 4.212 4.350 0.002 0.000 0.361 168 T C 0.003 174.627 174.700 -0.127 0.000 0.758 168 T CA 1.232 63.350 62.100 0.031 0.000 1.940 168 T CB -2.578 66.318 68.868 0.047 0.000 1.821 168 T HN 0.533 nan 8.240 nan 0.000 0.818 169 S N -0.437 115.159 115.700 -0.173 0.000 2.556 169 S HA 0.769 5.240 4.470 0.002 0.000 0.271 169 S C -0.332 174.050 174.600 -0.364 0.000 1.135 169 S CA -1.167 56.774 58.200 -0.433 0.000 0.858 169 S CB 0.954 63.979 63.200 -0.292 0.000 1.114 169 S HN 0.268 nan 8.310 nan 0.000 0.468 170 F N 2.292 122.240 119.950 -0.003 0.000 2.459 170 F HA 0.412 4.940 4.527 0.002 0.000 0.346 170 F C 0.665 176.413 175.800 -0.088 0.000 1.128 170 F CA -0.302 57.722 58.000 0.041 0.000 1.268 170 F CB 0.111 39.144 39.000 0.055 0.000 1.161 170 F HN 0.556 nan 8.300 nan 0.000 0.583 171 F N 0.233 120.270 119.950 0.145 0.000 2.728 171 F HA 0.334 4.862 4.527 0.002 0.000 0.314 171 F C 1.579 177.409 175.800 0.050 0.000 1.094 171 F CA 0.467 58.504 58.000 0.061 0.000 1.217 171 F CB 0.844 39.842 39.000 -0.003 0.000 1.056 171 F HN 0.730 nan 8.300 nan 0.000 0.577 172 G N -0.074 108.857 108.800 0.218 0.000 2.253 172 G HA2 -0.183 3.778 3.960 0.002 0.000 0.209 172 G HA3 -0.183 3.778 3.960 0.002 0.000 0.209 172 G C 0.907 175.861 174.900 0.090 0.000 0.997 172 G CA -0.373 44.797 45.100 0.118 0.000 0.640 172 G HN 0.646 nan 8.290 nan 0.000 0.496 173 G N 0.659 109.503 108.800 0.074 0.000 2.707 173 G HA2 0.480 4.441 3.960 0.002 0.000 0.231 173 G HA3 0.480 4.441 3.960 0.002 0.000 0.231 173 G C 0.067 174.921 174.900 -0.077 0.000 1.246 173 G CA 1.452 46.539 45.100 -0.022 0.000 0.852 173 G HN 1.516 nan 8.290 nan 0.000 0.584 174 D N -0.888 119.426 120.400 -0.143 0.000 2.738 174 D HA 0.165 4.806 4.640 0.002 0.000 0.308 174 D C 0.632 176.835 176.300 -0.162 0.000 1.311 174 D CA -0.929 52.960 54.000 -0.185 0.000 0.799 174 D CB 0.229 41.049 40.800 0.033 0.000 1.332 174 D HN 0.154 nan 8.370 nan 0.000 0.441 175 L N -0.307 120.862 121.223 -0.089 0.000 2.141 175 L HA -0.044 4.297 4.340 0.002 0.000 0.209 175 L C 2.173 179.060 176.870 0.029 0.000 1.094 175 L CA 1.587 56.412 54.840 -0.025 0.000 0.763 175 L CB -0.720 41.367 42.059 0.046 0.000 0.908 175 L HN 0.479 nan 8.230 nan 0.000 0.437 176 Q N -0.490 119.334 119.800 0.040 0.000 2.170 176 Q HA -0.127 4.214 4.340 0.002 0.000 0.203 176 Q C 2.151 178.182 176.000 0.051 0.000 0.976 176 Q CA 1.459 57.289 55.803 0.044 0.000 0.858 176 Q CB -0.589 28.173 28.738 0.039 0.000 0.907 176 Q HN 0.548 nan 8.270 nan 0.000 0.433 177 G N 0.659 109.491 108.800 0.053 0.000 2.480 177 G HA2 -0.256 3.705 3.960 0.002 0.000 0.216 177 G HA3 -0.256 3.705 3.960 0.002 0.000 0.216 177 G C 1.550 176.562 174.900 0.186 0.000 1.200 177 G CA 0.975 46.125 45.100 0.083 0.000 0.782 177 G HN 0.371 nan 8.290 nan 0.000 0.554 178 I N 1.181 121.898 120.570 0.244 0.000 2.151 178 I HA -0.199 3.972 4.170 0.002 0.000 0.243 178 I C 2.614 178.855 176.117 0.208 0.000 1.080 178 I CA 1.035 62.538 61.300 0.339 0.000 1.339 178 I CB -0.241 37.876 38.000 0.194 0.000 1.039 178 I HN 0.171 nan 8.210 nan 0.000 0.409 179 I N 0.242 120.881 120.570 0.114 0.000 2.530 179 I HA -0.290 3.881 4.170 0.002 0.000 0.257 179 I C 1.746 177.885 176.117 0.038 0.000 1.179 179 I CA 1.133 62.471 61.300 0.064 0.000 1.440 179 I CB -0.622 37.403 38.000 0.041 0.000 1.087 179 I HN 0.296 nan 8.210 nan 0.000 0.440 180 D N -0.149 120.275 120.400 0.039 0.000 2.202 180 D HA -0.056 4.585 4.640 0.002 0.000 0.214 180 D C 1.732 177.930 176.300 -0.170 0.000 0.967 180 D CA 1.172 55.119 54.000 -0.088 0.000 0.871 180 D CB -0.309 40.396 40.800 -0.158 0.000 1.020 180 D HN 0.462 nan 8.370 nan 0.000 0.474 181 H N 0.574 119.530 119.070 -0.189 0.000 2.607 181 H HA 0.077 4.634 4.556 0.002 0.000 0.288 181 H C 1.471 176.838 175.328 0.066 0.000 1.058 181 H CA -0.298 55.617 56.048 -0.222 0.000 1.178 181 H CB 0.505 29.904 29.762 -0.604 0.000 1.340 181 H HN 0.007 nan 8.280 nan 0.000 0.591 182 L N 0.976 122.287 121.223 0.147 0.000 2.191 182 L HA -0.151 4.190 4.340 0.002 0.000 0.212 182 L C 1.609 178.534 176.870 0.091 0.000 1.103 182 L CA 1.459 56.376 54.840 0.128 0.000 0.769 182 L CB -0.087 42.008 42.059 0.061 0.000 0.908 182 L HN 0.144 nan 8.230 nan 0.000 0.438 183 D N -2.393 118.045 120.400 0.063 0.000 2.277 183 D HA -0.195 4.446 4.640 0.002 0.000 0.208 183 D C 1.825 178.185 176.300 0.101 0.000 0.962 183 D CA 0.648 54.674 54.000 0.043 0.000 0.865 183 D CB 0.039 40.839 40.800 0.001 0.000 0.939 183 D HN 0.427 nan 8.370 nan 0.000 0.510 184 Y N 1.511 121.835 120.300 0.040 0.000 2.114 184 Y HA -0.157 4.394 4.550 0.002 0.000 0.284 184 Y C 1.991 177.971 175.900 0.134 0.000 1.143 184 Y CA 1.449 59.623 58.100 0.123 0.000 1.135 184 Y CB -0.456 38.139 38.460 0.225 0.000 0.980 184 Y HN -0.112 nan 8.280 nan 0.000 0.499 185 L N 0.154 121.382 121.223 0.009 0.000 2.027 185 L HA -0.134 4.207 4.340 0.002 0.000 0.206 185 L C 2.812 179.584 176.870 -0.164 0.000 1.074 185 L CA 1.156 55.860 54.840 -0.227 0.000 0.745 185 L CB -1.216 40.738 42.059 -0.176 0.000 0.898 185 L HN 0.302 nan 8.230 nan 0.000 0.433 186 A N -0.459 122.320 122.820 -0.068 0.000 2.076 186 A HA -0.267 4.054 4.320 0.002 0.000 0.220 186 A C 2.120 179.668 177.584 -0.060 0.000 1.160 186 A CA 2.011 54.012 52.037 -0.059 0.000 0.653 186 A CB -0.557 18.426 19.000 -0.028 0.000 0.801 186 A HN 0.567 nan 8.150 nan 0.000 0.455 187 D N -0.495 119.872 120.400 -0.054 0.000 2.197 187 D HA -0.065 4.576 4.640 0.002 0.000 0.212 187 D C 1.979 178.239 176.300 -0.067 0.000 0.963 187 D CA 0.728 54.714 54.000 -0.025 0.000 0.864 187 D CB -0.152 40.672 40.800 0.039 0.000 1.009 187 D HN 0.390 nan 8.370 nan 0.000 0.479 188 L N 0.104 121.232 121.223 -0.159 0.000 2.021 188 L HA -0.172 4.169 4.340 0.002 0.000 0.215 188 L C 1.685 178.419 176.870 -0.227 0.000 1.074 188 L CA 2.247 56.903 54.840 -0.308 0.000 0.760 188 L CB -0.295 41.481 42.059 -0.473 0.000 0.889 188 L HN 0.519 nan 8.230 nan 0.000 0.433 189 G N -0.792 107.903 108.800 -0.174 0.000 2.183 189 G HA2 -0.198 3.763 3.960 0.002 0.000 0.168 189 G HA3 -0.198 3.763 3.960 0.002 0.000 0.168 189 G C 0.209 175.038 174.900 -0.120 0.000 1.008 189 G CA 0.004 45.027 45.100 -0.128 0.000 0.677 189 G HN 0.450 nan 8.290 nan 0.000 0.498 190 I N 0.017 120.506 120.570 -0.135 0.000 2.648 190 I HA 0.603 4.774 4.170 0.002 0.000 0.284 190 I C 0.936 176.976 176.117 -0.130 0.000 1.153 190 I CA 0.663 61.900 61.300 -0.105 0.000 1.426 190 I CB 1.052 39.011 38.000 -0.069 0.000 1.381 190 I HN 0.011 nan 8.210 nan 0.000 0.571 191 T N 2.805 117.252 114.554 -0.178 0.000 3.214 191 T HA 0.630 4.981 4.350 0.002 0.000 0.264 191 T C 0.413 174.908 174.700 -0.341 0.000 1.012 191 T CA -0.166 61.804 62.100 -0.216 0.000 0.901 191 T CB -0.456 68.296 68.868 -0.194 0.000 1.070 191 T HN 1.168 nan 8.240 nan 0.000 0.561 192 G N 1.768 110.372 108.800 -0.328 0.000 2.433 192 G HA2 0.463 4.424 3.960 0.002 0.000 0.306 192 G HA3 0.463 4.424 3.960 0.002 0.000 0.306 192 G C -1.461 173.470 174.900 0.052 0.000 1.627 192 G CA -1.114 43.751 45.100 -0.391 0.000 0.893 192 G HN 0.494 nan 8.290 nan 0.000 0.648 193 I N -0.187 120.551 120.570 0.280 0.000 2.474 193 I HA 0.836 5.007 4.170 0.002 0.000 0.294 193 I C -1.043 175.412 176.117 0.563 0.000 1.005 193 I CA -1.514 60.035 61.300 0.415 0.000 1.113 193 I CB 2.001 40.119 38.000 0.198 0.000 1.289 193 I HN 0.535 nan 8.210 nan 0.000 0.436 194 Y N 8.128 128.670 120.300 0.404 0.000 2.356 194 Y HA 0.719 5.270 4.550 0.002 0.000 0.334 194 Y C -1.428 174.517 175.900 0.075 0.000 0.958 194 Y CA -2.083 56.130 58.100 0.187 0.000 1.196 194 Y CB 1.183 39.722 38.460 0.132 0.000 1.137 194 Y HN 0.744 nan 8.280 nan 0.000 0.485 195 L N 4.063 125.163 121.223 -0.204 0.000 2.341 195 L HA 0.678 5.019 4.340 0.002 0.000 0.278 195 L C 0.120 176.717 176.870 -0.456 0.000 1.005 195 L CA -0.883 53.707 54.840 -0.417 0.000 0.818 195 L CB 1.612 43.528 42.059 -0.239 0.000 1.259 195 L HN 0.502 nan 8.230 nan 0.000 0.418 196 T N 3.375 117.582 114.554 -0.579 0.000 2.779 196 T HA 0.032 4.383 4.350 0.002 0.000 0.348 196 T C -2.227 172.231 174.700 -0.403 0.000 1.090 196 T CA 0.092 61.876 62.100 -0.527 0.000 1.111 196 T CB -0.146 68.282 68.868 -0.733 0.000 1.026 196 T HN 0.618 nan 8.240 nan 0.000 0.547 197 P HA 0.011 nan 4.420 nan 0.000 0.263 197 P C 0.317 177.392 177.300 -0.374 0.000 1.175 197 P CA 0.631 63.422 63.100 -0.515 0.000 0.761 197 P CB 0.008 31.360 31.700 -0.580 0.000 0.794 198 I N -1.819 118.408 120.570 -0.572 0.000 3.994 198 I HA 0.323 4.494 4.170 0.002 0.000 0.323 198 I C -0.685 175.181 176.117 -0.419 0.000 1.501 198 I CA -0.577 60.546 61.300 -0.296 0.000 1.112 198 I CB 0.014 37.995 38.000 -0.031 0.000 1.254 198 I HN -0.172 nan 8.210 nan 0.000 0.495 199 F N 1.890 121.677 119.950 -0.273 0.000 2.404 199 F HA 0.502 5.030 4.527 0.002 0.000 0.339 199 F C 1.198 176.851 175.800 -0.244 0.000 1.105 199 F CA -1.178 56.687 58.000 -0.224 0.000 1.087 199 F CB 0.489 39.384 39.000 -0.175 0.000 1.143 199 F HN 0.021 nan 8.300 nan 0.000 0.491 200 R N 2.117 122.634 120.500 0.029 0.000 2.870 200 R HA 0.163 4.504 4.340 0.002 0.000 0.283 200 R C -0.734 175.503 176.300 -0.105 0.000 0.805 200 R CA 0.696 56.747 56.100 -0.081 0.000 1.110 200 R CB -0.620 29.684 30.300 0.006 0.000 0.900 200 R HN 0.819 nan 8.270 nan 0.000 0.406 201 A N 6.218 128.930 122.820 -0.179 0.000 2.547 201 A HA 0.332 4.653 4.320 0.002 0.000 0.298 201 A C -2.603 174.910 177.584 -0.118 0.000 1.062 201 A CA -1.178 50.789 52.037 -0.118 0.000 0.748 201 A CB 1.776 20.708 19.000 -0.113 0.000 1.288 201 A HN 0.458 nan 8.150 nan 0.000 0.396 202 P HA 0.292 nan 4.420 nan 0.000 0.237 202 P C -0.294 177.068 177.300 0.103 0.000 1.788 202 P CA 0.579 63.699 63.100 0.032 0.000 1.061 202 P CB 0.088 31.830 31.700 0.070 0.000 1.967 203 S N 2.049 117.838 115.700 0.149 0.000 2.614 203 S HA 0.141 4.612 4.470 0.002 0.000 0.280 203 S C 0.765 175.512 174.600 0.245 0.000 1.111 203 S CA -0.598 57.652 58.200 0.083 0.000 0.847 203 S CB -0.015 62.940 63.200 -0.407 0.000 1.079 203 S HN 0.287 nan 8.310 nan 0.000 0.452 204 N N 1.118 119.881 118.700 0.105 0.000 2.520 204 N HA -0.014 4.727 4.740 0.002 0.000 0.185 204 N C 0.250 176.034 175.510 0.457 0.000 1.068 204 N CA 1.251 54.472 53.050 0.285 0.000 0.911 204 N CB -0.458 38.050 38.487 0.034 0.000 0.961 204 N HN 0.745 nan 8.380 nan 0.000 0.446 205 H N -2.671 116.598 119.070 0.332 0.000 2.727 205 H HA 0.533 5.090 4.556 0.002 0.000 0.330 205 H C -1.025 174.276 175.328 -0.045 0.000 0.986 205 H CA -1.289 54.856 56.048 0.163 0.000 1.251 205 H CB 1.294 31.201 29.762 0.243 0.000 1.493 205 H HN -0.247 nan 8.280 nan 0.000 0.515 206 K N 3.246 123.515 120.400 -0.218 0.000 3.233 206 K HA 0.093 4.414 4.320 0.002 0.000 0.283 206 K C -0.555 175.891 176.600 -0.255 0.000 1.209 206 K CA 0.057 56.193 56.287 -0.252 0.000 1.197 206 K CB -0.734 31.586 32.500 -0.301 0.000 1.431 206 K HN 0.668 nan 8.250 nan 0.000 0.326 207 Y N -1.401 118.978 120.300 0.133 0.000 2.497 207 Y HA 0.022 4.573 4.550 0.002 0.000 0.265 207 Y C 1.198 177.181 175.900 0.138 0.000 1.111 207 Y CA -0.010 58.169 58.100 0.130 0.000 1.288 207 Y CB 0.195 38.734 38.460 0.131 0.000 1.082 207 Y HN 0.285 nan 8.280 nan 0.000 0.536 208 D N 0.263 120.802 120.400 0.233 0.000 2.400 208 D HA -0.037 4.604 4.640 0.002 0.000 0.243 208 D C 0.351 176.696 176.300 0.076 0.000 1.184 208 D CA 0.097 54.195 54.000 0.162 0.000 0.853 208 D CB -0.179 40.701 40.800 0.134 0.000 0.944 208 D HN -0.035 nan 8.370 nan 0.000 0.501 209 T N -0.839 113.721 114.554 0.010 0.000 2.581 209 T HA -0.125 4.226 4.350 0.002 0.000 0.227 209 T C 0.976 175.570 174.700 -0.177 0.000 1.023 209 T CA 0.741 62.734 62.100 -0.178 0.000 1.158 209 T CB 0.446 69.052 68.868 -0.437 0.000 1.013 209 T HN 0.296 nan 8.240 nan 0.000 0.462 210 A N 3.838 126.593 122.820 -0.107 0.000 2.287 210 A HA 0.357 4.678 4.320 0.002 0.000 0.214 210 A C 0.708 178.387 177.584 0.157 0.000 1.228 210 A CA 0.291 52.372 52.037 0.073 0.000 0.939 210 A CB 0.528 19.578 19.000 0.083 0.000 0.992 210 A HN 0.812 nan 8.150 nan 0.000 0.502 211 D N -1.455 118.952 120.400 0.011 0.000 2.362 211 D HA 0.200 4.841 4.640 0.002 0.000 0.232 211 D C -0.485 175.875 176.300 0.100 0.000 1.329 211 D CA -0.432 53.680 54.000 0.187 0.000 0.944 211 D CB -0.127 40.806 40.800 0.222 0.000 1.471 211 D HN 0.125 nan 8.370 nan 0.000 0.533 212 Y N 1.205 121.602 120.300 0.161 0.000 2.556 212 Y HA -0.031 4.520 4.550 0.001 0.000 0.290 212 Y C 1.594 177.330 175.900 -0.274 0.000 1.149 212 Y CA 0.783 58.780 58.100 -0.171 0.000 1.329 212 Y CB -0.163 38.202 38.460 -0.158 0.000 0.975 212 Y HN 0.343 nan 8.280 nan 0.000 0.561 213 F N -0.360 119.731 119.950 0.236 0.000 2.695 213 F HA 0.166 4.693 4.527 0.002 0.000 0.303 213 F C 0.737 176.708 175.800 0.285 0.000 1.091 213 F CA -0.239 57.829 58.000 0.114 0.000 1.300 213 F CB 0.472 39.366 39.000 -0.176 0.000 1.071 213 F HN -0.094 nan 8.300 nan 0.000 0.578 214 E N 1.312 121.805 120.200 0.487 0.000 2.218 214 E HA 0.309 4.660 4.350 0.002 0.000 0.263 214 E C -0.682 176.164 176.600 0.409 0.000 0.879 214 E CA -0.513 56.150 56.400 0.438 0.000 0.762 214 E CB 1.279 31.140 29.700 0.269 0.000 1.166 214 E HN 0.071 nan 8.360 nan 0.000 0.415 215 I N 3.290 124.139 120.570 0.465 0.000 2.598 215 I HA -0.037 4.134 4.170 0.002 0.000 0.284 215 I C 0.607 176.784 176.117 0.100 0.000 1.140 215 I CA -0.065 61.411 61.300 0.292 0.000 1.420 215 I CB 0.195 38.358 38.000 0.272 0.000 1.387 215 I HN 0.540 nan 8.210 nan 0.000 0.553 216 D N 9.962 130.304 120.400 -0.097 0.000 2.581 216 D HA -0.044 4.597 4.640 0.002 0.000 0.238 216 D C -1.146 175.063 176.300 -0.151 0.000 1.145 216 D CA -1.369 52.462 54.000 -0.281 0.000 0.866 216 D CB 0.918 41.314 40.800 -0.673 0.000 1.151 216 D HN 0.278 nan 8.370 nan 0.000 0.500 217 P HA -0.254 nan 4.420 nan 0.000 0.217 217 P C 0.990 178.404 177.300 0.190 0.000 1.158 217 P CA 1.571 64.708 63.100 0.062 0.000 0.887 217 P CB -0.042 31.696 31.700 0.063 0.000 0.792 218 H N -1.648 117.425 119.070 0.006 0.000 2.394 218 H HA -0.139 4.418 4.556 0.002 0.000 0.297 218 H C 1.847 177.373 175.328 0.330 0.000 1.113 218 H CA 0.888 56.993 56.048 0.095 0.000 1.277 218 H CB -1.250 28.524 29.762 0.020 0.000 1.370 218 H HN 0.200 nan 8.280 nan 0.000 0.506 219 F N -0.607 119.419 119.950 0.126 0.000 2.512 219 F HA 0.330 4.858 4.527 0.002 0.000 0.296 219 F C 1.815 177.659 175.800 0.073 0.000 1.110 219 F CA 0.831 58.877 58.000 0.076 0.000 1.446 219 F CB -0.157 38.859 39.000 0.027 0.000 1.092 219 F HN 0.363 nan 8.300 nan 0.000 0.554 220 G N -0.261 108.706 108.800 0.278 0.000 2.292 220 G HA2 0.157 4.118 3.960 0.002 0.000 0.194 220 G HA3 0.157 4.118 3.960 0.002 0.000 0.194 220 G C -1.823 173.190 174.900 0.189 0.000 1.329 220 G CA -0.246 44.973 45.100 0.198 0.000 1.100 220 G HN 0.130 nan 8.290 nan 0.000 0.470 221 D N -0.671 119.844 120.400 0.191 0.000 2.626 221 D HA 0.357 4.998 4.640 0.002 0.000 0.278 221 D C 0.742 177.207 176.300 0.276 0.000 1.211 221 D CA -0.537 53.597 54.000 0.224 0.000 0.903 221 D CB 1.025 41.939 40.800 0.191 0.000 1.408 221 D HN 0.521 nan 8.370 nan 0.000 0.454 222 K N -0.367 120.256 120.400 0.371 0.000 2.144 222 K HA -0.227 4.094 4.320 0.002 0.000 0.209 222 K C 1.344 178.219 176.600 0.458 0.000 1.047 222 K CA 1.416 58.045 56.287 0.570 0.000 0.927 222 K CB 0.000 32.850 32.500 0.583 0.000 0.716 222 K HN 0.335 nan 8.250 nan 0.000 0.454 223 E N 0.588 120.956 120.200 0.281 0.000 2.015 223 E HA -0.097 4.254 4.350 0.002 0.000 0.191 223 E C 2.216 178.927 176.600 0.186 0.000 0.991 223 E CA 1.351 57.871 56.400 0.201 0.000 0.802 223 E CB -0.687 29.098 29.700 0.143 0.000 0.759 223 E HN 0.216 nan 8.360 nan 0.000 0.447 224 T N 2.060 116.714 114.554 0.167 0.000 2.665 224 T HA -0.204 4.147 4.350 0.002 0.000 0.268 224 T C 1.864 176.646 174.700 0.138 0.000 1.035 224 T CA 1.499 63.679 62.100 0.133 0.000 1.151 224 T CB -0.397 68.547 68.868 0.127 0.000 0.862 224 T HN 0.042 nan 8.240 nan 0.000 0.438 225 L N 1.161 122.489 121.223 0.175 0.000 2.017 225 L HA 0.023 4.364 4.340 0.002 0.000 0.208 225 L C 2.264 179.274 176.870 0.234 0.000 1.073 225 L CA 1.835 56.764 54.840 0.148 0.000 0.745 225 L CB -0.569 41.520 42.059 0.049 0.000 0.894 225 L HN 0.062 nan 8.230 nan 0.000 0.432 226 K N -1.178 119.440 120.400 0.363 0.000 2.218 226 K HA -0.173 4.149 4.320 0.002 0.000 0.205 226 K C 1.743 178.440 176.600 0.162 0.000 1.046 226 K CA 1.875 58.346 56.287 0.308 0.000 0.933 226 K CB -0.208 32.432 32.500 0.234 0.000 0.728 226 K HN 0.536 nan 8.250 nan 0.000 0.454 227 T N 1.664 116.294 114.554 0.127 0.000 2.770 227 T HA -0.067 4.284 4.350 0.002 0.000 0.258 227 T C 1.804 176.530 174.700 0.042 0.000 1.039 227 T CA 0.429 62.573 62.100 0.074 0.000 1.143 227 T CB -0.235 68.673 68.868 0.066 0.000 0.866 227 T HN 0.143 nan 8.240 nan 0.000 0.428 228 L N 1.603 122.853 121.223 0.044 0.000 2.021 228 L HA -0.199 4.142 4.340 0.002 0.000 0.215 228 L C 2.492 179.331 176.870 -0.052 0.000 1.074 228 L CA 1.705 56.550 54.840 0.007 0.000 0.760 228 L CB -0.488 41.578 42.059 0.012 0.000 0.889 228 L HN 0.190 nan 8.230 nan 0.000 0.433 229 V N -0.714 119.169 119.914 -0.051 0.000 2.229 229 V HA -0.301 3.820 4.120 0.002 0.000 0.243 229 V C 2.521 178.468 176.094 -0.246 0.000 1.042 229 V CA 1.998 64.171 62.300 -0.211 0.000 1.000 229 V CB -1.014 30.774 31.823 -0.058 0.000 0.637 229 V HN 0.443 nan 8.190 nan 0.000 0.446 230 K N 0.218 120.600 120.400 -0.030 0.000 2.049 230 K HA -0.315 4.006 4.320 0.002 0.000 0.219 230 K C 2.439 179.038 176.600 -0.001 0.000 1.056 230 K CA 2.219 58.529 56.287 0.038 0.000 0.946 230 K CB -0.301 32.231 32.500 0.054 0.000 0.723 230 K HN 0.271 nan 8.250 nan 0.000 0.453 231 R N 0.524 121.011 120.500 -0.021 0.000 2.083 231 R HA -0.137 4.204 4.340 0.002 0.000 0.237 231 R C 2.594 178.867 176.300 -0.045 0.000 1.137 231 R CA 1.408 57.496 56.100 -0.021 0.000 0.951 231 R CB -1.485 28.808 30.300 -0.012 0.000 0.851 231 R HN 0.405 nan 8.270 nan 0.000 0.434 232 C N -0.128 119.108 119.300 -0.107 0.000 2.436 232 C HA -0.094 4.367 4.460 0.002 0.000 0.277 232 C C 2.601 177.534 174.990 -0.095 0.000 1.241 232 C CA 0.555 59.494 59.018 -0.132 0.000 1.721 232 C CB -1.131 26.480 27.740 -0.215 0.000 2.043 232 C HN 0.501 nan 8.230 nan 0.000 0.472 233 H N 0.346 119.387 119.070 -0.048 0.000 2.426 233 H HA -0.129 4.428 4.556 0.002 0.000 0.298 233 H C 2.087 177.377 175.328 -0.063 0.000 1.107 233 H CA 1.667 57.671 56.048 -0.073 0.000 1.298 233 H CB -0.568 29.157 29.762 -0.061 0.000 1.377 233 H HN 0.622 nan 8.280 nan 0.000 0.519 234 E N 0.659 120.897 120.200 0.064 0.000 2.051 234 E HA -0.138 4.213 4.350 0.002 0.000 0.192 234 E C 1.869 178.467 176.600 -0.002 0.000 0.991 234 E CA 1.168 57.582 56.400 0.023 0.000 0.799 234 E CB 0.183 29.889 29.700 0.011 0.000 0.748 234 E HN 0.231 nan 8.360 nan 0.000 0.449 235 K N -1.493 118.898 120.400 -0.015 0.000 2.365 235 K HA 0.100 4.421 4.320 0.002 0.000 0.197 235 K C 0.719 177.294 176.600 -0.042 0.000 1.042 235 K CA 0.666 56.936 56.287 -0.029 0.000 0.987 235 K CB 0.782 33.262 32.500 -0.034 0.000 0.779 235 K HN 0.250 nan 8.250 nan 0.000 0.484 236 G N 0.789 109.566 108.800 -0.039 0.000 2.141 236 G HA2 -0.209 3.752 3.960 0.002 0.000 0.195 236 G HA3 -0.209 3.752 3.960 0.002 0.000 0.195 236 G C -0.301 174.541 174.900 -0.096 0.000 1.012 236 G CA -0.465 44.597 45.100 -0.064 0.000 0.696 236 G HN 0.128 nan 8.290 nan 0.000 0.508 237 I N 0.949 121.468 120.570 -0.085 0.000 2.412 237 I HA 0.576 4.747 4.170 0.002 0.000 0.296 237 I C 0.394 176.443 176.117 -0.114 0.000 0.987 237 I CA -0.949 60.279 61.300 -0.120 0.000 1.180 237 I CB 1.297 39.241 38.000 -0.092 0.000 1.340 237 I HN -0.056 nan 8.210 nan 0.000 0.455 238 R N 5.265 125.666 120.500 -0.166 0.000 2.346 238 R HA 0.556 4.897 4.340 0.002 0.000 0.311 238 R C -1.105 175.243 176.300 0.081 0.000 0.983 238 R CA -0.846 55.197 56.100 -0.095 0.000 0.880 238 R CB 1.574 31.686 30.300 -0.315 0.000 1.100 238 R HN 0.297 nan 8.270 nan 0.000 0.453 239 V N 4.389 124.360 119.914 0.094 0.000 2.407 239 V HA 0.376 4.497 4.120 0.002 0.000 0.278 239 V C 0.400 176.610 176.094 0.193 0.000 1.037 239 V CA -0.644 61.733 62.300 0.128 0.000 0.900 239 V CB 1.251 33.071 31.823 -0.006 0.000 0.983 239 V HN 0.715 nan 8.190 nan 0.000 0.459 240 M N 6.415 126.173 119.600 0.263 0.000 2.181 240 M HA 0.630 5.111 4.480 0.002 0.000 0.323 240 M C -1.493 174.822 176.300 0.026 0.000 1.004 240 M CA -0.192 55.190 55.300 0.137 0.000 0.941 240 M CB 1.263 33.932 32.600 0.115 0.000 1.579 240 M HN 0.536 nan 8.290 nan 0.000 0.427 241 L N 2.478 123.567 121.223 -0.222 0.000 2.400 241 L HA 0.521 4.862 4.340 0.002 0.000 0.264 241 L C -0.289 176.555 176.870 -0.044 0.000 1.061 241 L CA -0.506 54.164 54.840 -0.284 0.000 0.799 241 L CB 1.259 42.936 42.059 -0.637 0.000 1.240 241 L HN 0.661 nan 8.230 nan 0.000 0.461 242 D N 0.935 121.340 120.400 0.008 0.000 2.280 242 D HA 0.466 5.107 4.640 0.002 0.000 0.236 242 D C -0.868 175.600 176.300 0.281 0.000 1.082 242 D CA -0.199 53.898 54.000 0.160 0.000 0.834 242 D CB 1.742 42.594 40.800 0.087 0.000 1.100 242 D HN 0.495 nan 8.370 nan 0.000 0.486 243 A N 3.556 126.496 122.820 0.200 0.000 2.252 243 A HA 0.459 4.780 4.320 0.002 0.000 0.309 243 A C -0.363 176.992 177.584 -0.381 0.000 1.285 243 A CA -0.603 51.252 52.037 -0.304 0.000 0.900 243 A CB 0.747 19.080 19.000 -1.112 0.000 1.157 243 A HN 0.378 nan 8.150 nan 0.000 0.536 244 V N 4.794 124.660 119.914 -0.081 0.000 2.217 244 V HA 0.182 4.303 4.120 0.002 0.000 0.264 244 V C -0.153 176.096 176.094 0.258 0.000 1.107 244 V CA 0.037 62.367 62.300 0.050 0.000 0.913 244 V CB -0.562 31.387 31.823 0.210 0.000 1.153 244 V HN 0.874 nan 8.190 nan 0.000 0.469 245 F N 1.354 121.260 119.950 -0.073 0.000 2.714 245 F HA 0.152 4.680 4.527 0.002 0.000 0.294 245 F C 2.025 177.654 175.800 -0.284 0.000 1.120 245 F CA -0.091 57.777 58.000 -0.220 0.000 1.398 245 F CB -0.719 38.095 39.000 -0.310 0.000 1.120 245 F HN 0.462 nan 8.300 nan 0.000 0.589 246 N N -0.142 118.488 118.700 -0.116 0.000 2.381 246 N HA -0.123 4.618 4.740 0.002 0.000 0.182 246 N C 0.352 175.826 175.510 -0.060 0.000 1.025 246 N CA 0.963 53.930 53.050 -0.138 0.000 0.888 246 N CB 0.053 38.487 38.487 -0.088 0.000 0.965 246 N HN 0.432 nan 8.380 nan 0.000 0.438 247 H N -3.912 115.221 119.070 0.106 0.000 2.905 247 H HA 0.476 5.033 4.556 0.002 0.000 0.280 247 H C -0.726 174.701 175.328 0.166 0.000 1.445 247 H CA -0.699 55.421 56.048 0.119 0.000 1.165 247 H CB 0.636 30.469 29.762 0.118 0.000 1.857 247 H HN 0.136 nan 8.280 nan 0.000 0.567 248 C N -0.392 119.126 119.300 0.364 0.000 3.321 248 C HA 0.936 5.397 4.460 0.002 0.000 0.363 248 C C 0.515 175.624 174.990 0.198 0.000 1.705 248 C CA -0.186 58.968 59.018 0.226 0.000 1.298 248 C CB 1.297 29.139 27.740 0.171 0.000 2.086 248 C HN 1.113 nan 8.230 nan 0.000 0.438 249 G N -1.486 107.416 108.800 0.170 0.000 2.471 249 G HA2 0.473 4.434 3.960 0.002 0.000 0.332 249 G HA3 0.473 4.434 3.960 0.002 0.000 0.332 249 G C -0.413 174.636 174.900 0.248 0.000 1.176 249 G CA -0.413 44.800 45.100 0.188 0.000 0.949 249 G HN 1.075 nan 8.290 nan 0.000 0.488 250 Y N -0.552 119.836 120.300 0.146 0.000 2.651 250 Y HA -0.066 4.485 4.550 0.001 0.000 0.293 250 Y C 2.123 178.197 175.900 0.289 0.000 1.151 250 Y CA 1.817 60.071 58.100 0.257 0.000 1.362 250 Y CB 0.324 38.913 38.460 0.216 0.000 0.973 250 Y HN 0.618 nan 8.280 nan 0.000 0.561 251 E N -0.918 119.425 120.200 0.238 0.000 2.476 251 E HA 0.033 4.384 4.350 0.002 0.000 0.199 251 E C -0.249 176.460 176.600 0.182 0.000 1.021 251 E CA -0.434 56.049 56.400 0.138 0.000 0.907 251 E CB 0.026 29.817 29.700 0.153 0.000 0.974 251 E HN 0.200 nan 8.360 nan 0.000 0.489 252 F N 1.325 121.327 119.950 0.087 0.000 2.602 252 F HA 0.019 4.547 4.527 0.002 0.000 0.385 252 F C 1.250 177.060 175.800 0.018 0.000 1.063 252 F CA -0.121 57.938 58.000 0.098 0.000 1.233 252 F CB 0.383 39.514 39.000 0.218 0.000 1.067 252 F HN 0.016 nan 8.300 nan 0.000 0.564 253 A N 7.671 130.282 122.820 -0.348 0.000 1.870 253 A HA -0.215 4.106 4.320 0.002 0.000 0.219 253 A C -0.467 176.651 177.584 -0.778 0.000 1.224 253 A CA 2.239 53.954 52.037 -0.537 0.000 0.650 253 A CB -2.223 16.464 19.000 -0.522 0.000 0.836 253 A HN 0.690 nan 8.150 nan 0.000 0.454 254 P HA -0.191 nan 4.420 nan 0.000 0.216 254 P C 1.485 178.539 177.300 -0.410 0.000 1.157 254 P CA 1.469 63.841 63.100 -1.215 0.000 0.880 254 P CB -0.201 30.656 31.700 -1.406 0.000 0.791 255 F N 0.437 120.257 119.950 -0.218 0.000 2.186 255 F HA -0.195 4.333 4.527 0.002 0.000 0.299 255 F C 2.713 178.258 175.800 -0.425 0.000 1.090 255 F CA 2.055 59.813 58.000 -0.405 0.000 1.307 255 F CB -1.353 37.488 39.000 -0.265 0.000 1.019 255 F HN -0.110 nan 8.300 nan 0.000 0.489 256 Q N -0.083 119.511 119.800 -0.342 0.000 2.170 256 Q HA -0.230 4.111 4.340 0.002 0.000 0.203 256 Q C 1.686 177.437 176.000 -0.414 0.000 0.976 256 Q CA 1.867 57.420 55.803 -0.416 0.000 0.858 256 Q CB -1.480 27.083 28.738 -0.292 0.000 0.907 256 Q HN 0.636 nan 8.270 nan 0.000 0.433 257 D N -1.065 119.087 120.400 -0.414 0.000 2.347 257 D HA -0.032 4.609 4.640 0.002 0.000 0.215 257 D C 1.017 177.163 176.300 -0.256 0.000 0.976 257 D CA 0.930 54.735 54.000 -0.325 0.000 0.884 257 D CB 0.292 40.856 40.800 -0.393 0.000 0.915 257 D HN 0.328 nan 8.370 nan 0.000 0.526 258 V N 0.055 119.741 119.914 -0.380 0.000 3.563 258 V HA 0.195 4.316 4.120 0.002 0.000 0.299 258 V C 1.779 177.636 176.094 -0.396 0.000 1.290 258 V CA 0.974 63.068 62.300 -0.343 0.000 1.201 258 V CB -0.214 31.298 31.823 -0.518 0.000 1.045 258 V HN 0.427 nan 8.190 nan 0.000 0.425 259 L N -1.082 119.924 121.223 -0.363 0.000 2.685 259 L HA 0.626 4.967 4.340 0.002 0.000 0.235 259 L C 1.997 178.769 176.870 -0.163 0.000 1.070 259 L CA 0.983 55.649 54.840 -0.290 0.000 0.888 259 L CB -0.767 41.080 42.059 -0.353 0.000 1.203 259 L HN 0.377 nan 8.230 nan 0.000 0.499 260 K N 0.186 120.496 120.400 -0.150 0.000 2.593 260 K HA 0.651 4.972 4.320 0.002 0.000 0.208 260 K C 0.651 177.213 176.600 -0.064 0.000 1.051 260 K CA 1.062 57.292 56.287 -0.095 0.000 1.111 260 K CB -0.891 31.548 32.500 -0.100 0.000 0.849 260 K HN 1.112 nan 8.250 nan 0.000 0.479 261 N N -1.574 117.097 118.700 -0.048 0.000 2.297 261 N HA 0.380 5.121 4.740 0.002 0.000 0.311 261 N C 1.783 177.314 175.510 0.035 0.000 0.755 261 N CA 1.199 54.244 53.050 -0.009 0.000 0.725 261 N CB -0.201 38.286 38.487 0.001 0.000 2.195 261 N HN 1.345 nan 8.380 nan 0.000 1.138 262 G N 0.216 109.063 108.800 0.079 0.000 2.543 262 G HA2 0.060 4.022 3.960 0.002 0.000 0.286 262 G HA3 0.060 4.022 3.960 0.002 0.000 0.286 262 G C 1.477 176.613 174.900 0.394 0.000 1.153 262 G CA 2.362 47.644 45.100 0.304 0.000 0.968 262 G HN 1.791 nan 8.290 nan 0.000 0.544 263 A N 0.026 122.832 122.820 -0.024 0.000 2.067 263 A HA 0.452 4.773 4.320 0.002 0.000 0.219 263 A C 2.785 180.311 177.584 -0.096 0.000 1.158 263 A CA 2.876 54.674 52.037 -0.400 0.000 0.661 263 A CB -0.697 17.895 19.000 -0.679 0.000 0.801 263 A HN 2.169 nan 8.150 nan 0.000 0.452 264 A N -0.493 122.306 122.820 -0.035 0.000 2.123 264 A HA 0.475 4.796 4.320 0.002 0.000 0.214 264 A C 1.536 179.137 177.584 0.028 0.000 1.152 264 A CA 0.903 52.933 52.037 -0.012 0.000 0.728 264 A CB -1.057 17.933 19.000 -0.017 0.000 0.814 264 A HN 0.842 nan 8.150 nan 0.000 0.464 265 S N -0.173 115.571 115.700 0.074 0.000 2.544 265 S HA 0.393 4.864 4.470 0.002 0.000 0.290 265 S C 1.293 175.953 174.600 0.100 0.000 1.276 265 S CA 0.398 58.664 58.200 0.110 0.000 1.075 265 S CB -0.105 63.179 63.200 0.141 0.000 0.849 265 S HN 0.959 nan 8.310 nan 0.000 0.494 266 R N 1.838 122.346 120.500 0.012 0.000 2.357 266 R HA 0.094 4.436 4.340 0.002 0.000 0.202 266 R C 0.263 176.356 176.300 -0.345 0.000 1.047 266 R CA 1.271 57.258 56.100 -0.187 0.000 1.034 266 R CB -1.064 29.026 30.300 -0.349 0.000 0.875 266 R HN 0.882 nan 8.270 nan 0.000 0.473 267 Y N -0.679 119.622 120.300 0.002 0.000 2.734 267 Y HA 0.310 4.861 4.550 0.001 0.000 0.278 267 Y C 2.088 178.185 175.900 0.329 0.000 1.108 267 Y CA -0.092 58.006 58.100 -0.004 0.000 1.211 267 Y CB 0.132 38.342 38.460 -0.417 0.000 1.182 267 Y HN 0.316 nan 8.280 nan 0.000 0.547 268 K N -0.010 120.639 120.400 0.415 0.000 2.062 268 K HA -0.084 4.237 4.320 0.002 0.000 0.205 268 K C 1.021 177.933 176.600 0.520 0.000 1.051 268 K CA 1.987 58.559 56.287 0.474 0.000 0.941 268 K CB -0.475 32.283 32.500 0.431 0.000 0.719 268 K HN 0.406 nan 8.250 nan 0.000 0.440 269 D N -1.860 118.817 120.400 0.461 0.000 2.325 269 D HA -0.007 4.634 4.640 0.002 0.000 0.225 269 D C 0.752 177.263 176.300 0.353 0.000 1.096 269 D CA -0.218 54.039 54.000 0.428 0.000 0.844 269 D CB -0.035 41.023 40.800 0.431 0.000 0.925 269 D HN 0.583 nan 8.370 nan 0.000 0.513 270 W N 0.396 121.724 121.300 0.046 0.000 2.800 270 W HA 0.094 4.755 4.660 0.001 0.000 0.249 270 W C 0.435 176.606 176.519 -0.580 0.000 1.294 270 W CA 0.200 57.327 57.345 -0.363 0.000 1.402 270 W CB 0.014 29.212 29.460 -0.436 0.000 1.126 270 W HN -0.146 nan 8.180 nan 0.000 0.652 271 F N -2.515 117.690 119.950 0.425 0.000 2.900 271 F HA 0.335 4.863 4.527 0.002 0.000 0.375 271 F C 0.041 176.167 175.800 0.544 0.000 1.258 271 F CA -1.153 57.086 58.000 0.398 0.000 1.094 271 F CB 0.152 39.371 39.000 0.364 0.000 1.505 271 F HN -0.464 nan 8.300 nan 0.000 0.510 272 H N 0.639 119.979 119.070 0.450 0.000 2.355 272 H HA 0.436 4.993 4.556 0.002 0.000 0.232 272 H C -1.006 174.508 175.328 0.310 0.000 1.422 272 H CA -0.768 55.465 56.048 0.308 0.000 1.261 272 H CB -0.345 29.561 29.762 0.240 0.000 1.595 272 H HN 0.203 nan 8.280 nan 0.000 0.529 273 I N 1.993 122.779 120.570 0.359 0.000 2.293 273 I HA 0.072 4.243 4.170 0.002 0.000 0.299 273 I C 1.546 177.779 176.117 0.194 0.000 1.153 273 I CA -0.014 61.409 61.300 0.205 0.000 1.302 273 I CB 0.419 38.364 38.000 -0.092 0.000 1.460 273 I HN 0.318 nan 8.210 nan 0.000 0.552 274 R N 3.411 124.035 120.500 0.207 0.000 2.070 274 R HA -0.034 4.307 4.340 0.002 0.000 0.233 274 R C 0.152 176.556 176.300 0.173 0.000 1.137 274 R CA 0.991 57.193 56.100 0.170 0.000 0.945 274 R CB -0.284 30.106 30.300 0.150 0.000 0.845 274 R HN 0.417 nan 8.270 nan 0.000 0.430 275 E N -0.309 119.989 120.200 0.162 0.000 2.238 275 E HA 0.333 4.684 4.350 0.002 0.000 0.267 275 E C -1.098 175.594 176.600 0.154 0.000 0.887 275 E CA -0.594 55.910 56.400 0.173 0.000 0.769 275 E CB 1.247 31.030 29.700 0.138 0.000 1.187 275 E HN -0.108 nan 8.360 nan 0.000 0.416 276 F N 3.090 123.080 119.950 0.067 0.000 2.139 276 F HA 0.477 5.005 4.527 0.002 0.000 0.273 276 F C -1.030 174.791 175.800 0.034 0.000 1.058 276 F CA 0.032 58.058 58.000 0.042 0.000 1.149 276 F CB 0.019 39.035 39.000 0.027 0.000 1.739 276 F HN 0.503 nan 8.300 nan 0.000 0.536 277 P HA -0.165 nan 4.420 nan 0.000 0.060 277 P C -0.166 177.143 177.300 0.015 0.000 0.803 277 P CA 1.208 64.379 63.100 0.119 0.000 0.892 277 P CB -2.540 29.227 31.700 0.113 0.000 1.633 278 L N -4.601 116.560 121.223 -0.104 0.000 3.756 278 L HA 0.285 4.626 4.340 0.002 0.000 0.523 278 L C 0.473 177.356 176.870 0.021 0.000 1.021 278 L CA 3.160 57.917 54.840 -0.139 0.000 0.844 278 L CB -2.738 39.131 42.059 -0.317 0.000 0.982 278 L HN 1.883 nan 8.230 nan 0.000 0.702 279 Q N 1.947 121.807 119.800 0.100 0.000 2.368 279 Q HA 0.756 5.097 4.340 0.002 0.000 0.263 279 Q C 0.870 176.978 176.000 0.179 0.000 1.009 279 Q CA 0.391 56.267 55.803 0.121 0.000 0.818 279 Q CB 0.872 29.663 28.738 0.089 0.000 1.239 279 Q HN 2.286 nan 8.270 nan 0.000 0.464 280 T N 0.217 114.886 114.554 0.192 0.000 3.264 280 T HA 0.486 4.837 4.350 0.002 0.000 0.257 280 T C 1.192 175.947 174.700 0.092 0.000 0.976 280 T CA 0.980 63.187 62.100 0.178 0.000 0.908 280 T CB -0.507 68.505 68.868 0.239 0.000 1.082 280 T HN 1.010 nan 8.240 nan 0.000 0.567 281 E N 1.958 122.203 120.200 0.074 0.000 2.010 281 E HA 0.123 4.474 4.350 0.002 0.000 0.246 281 E C 0.702 177.314 176.600 0.020 0.000 0.885 281 E CA 1.333 57.758 56.400 0.042 0.000 1.195 281 E CB -2.092 27.631 29.700 0.038 0.000 0.821 281 E HN 0.425 nan 8.360 nan 0.000 0.605 282 P HA 0.003 nan 4.420 nan 0.000 0.217 282 P C 0.717 177.995 177.300 -0.037 0.000 1.148 282 P CA 2.627 65.714 63.100 -0.021 0.000 0.828 282 P CB -0.441 31.241 31.700 -0.029 0.000 0.783 283 R N -4.128 116.365 120.500 -0.012 0.000 2.825 283 R HA 0.381 4.722 4.340 0.002 0.000 0.274 283 R C -3.539 172.773 176.300 0.019 0.000 1.026 283 R CA -1.498 54.597 56.100 -0.008 0.000 0.867 283 R CB -0.262 30.005 30.300 -0.055 0.000 1.268 283 R HN -0.215 nan 8.270 nan 0.000 0.491 284 P HA -0.038 nan 4.420 nan 0.000 0.264 284 P C -0.332 176.954 177.300 -0.024 0.000 1.179 284 P CA 0.109 63.132 63.100 -0.130 0.000 0.763 284 P CB 0.387 31.732 31.700 -0.591 0.000 0.806 285 N N 1.521 120.330 118.700 0.181 0.000 2.276 285 N HA 0.000 4.741 4.740 0.002 0.000 0.212 285 N C -0.505 175.187 175.510 0.303 0.000 1.127 285 N CA -0.154 53.022 53.050 0.211 0.000 0.834 285 N CB -0.470 38.139 38.487 0.202 0.000 1.014 285 N HN 0.410 nan 8.380 nan 0.000 0.491 286 Y N -2.445 117.921 120.300 0.109 0.000 2.609 286 Y HA 0.577 5.128 4.550 0.001 0.000 0.342 286 Y C -0.682 175.302 175.900 0.140 0.000 1.058 286 Y CA -1.885 56.297 58.100 0.137 0.000 1.055 286 Y CB 0.336 38.884 38.460 0.146 0.000 1.292 286 Y HN -0.265 nan 8.280 nan 0.000 0.476 287 D N 1.947 122.466 120.400 0.199 0.000 2.425 287 D HA 0.294 4.935 4.640 0.002 0.000 0.247 287 D C 0.006 176.277 176.300 -0.047 0.000 1.147 287 D CA 0.766 54.801 54.000 0.059 0.000 0.879 287 D CB 1.397 42.292 40.800 0.157 0.000 1.179 287 D HN 0.786 nan 8.370 nan 0.000 0.456 288 T N -1.366 113.093 114.554 -0.157 0.000 2.887 288 T HA 0.223 4.574 4.350 0.002 0.000 0.292 288 T C 0.958 175.572 174.700 -0.145 0.000 1.087 288 T CA -0.886 61.124 62.100 -0.150 0.000 1.009 288 T CB 1.034 69.764 68.868 -0.230 0.000 1.203 288 T HN 0.179 nan 8.240 nan 0.000 0.518 289 F N 1.561 121.356 119.950 -0.258 0.000 2.032 289 F HA -0.061 4.467 4.527 0.002 0.000 0.297 289 F C 2.067 177.692 175.800 -0.293 0.000 1.125 289 F CA 2.707 60.537 58.000 -0.284 0.000 1.202 289 F CB -0.921 37.754 39.000 -0.542 0.000 0.958 289 F HN 0.810 nan 8.300 nan 0.000 0.491 290 A N -2.434 119.975 122.820 -0.686 0.000 2.042 290 A HA 0.351 4.672 4.320 0.002 0.000 0.204 290 A C 0.605 177.598 177.584 -0.985 0.000 1.712 290 A CA 0.710 52.210 52.037 -0.895 0.000 0.890 290 A CB -0.067 18.599 19.000 -0.556 0.000 1.176 290 A HN 0.368 nan 8.150 nan 0.000 0.573 291 F N -0.823 119.034 119.950 -0.156 0.000 3.126 291 F HA 0.203 4.731 4.527 0.002 0.000 0.327 291 F C -0.379 175.362 175.800 -0.099 0.000 1.284 291 F CA -0.765 57.157 58.000 -0.130 0.000 0.906 291 F CB 0.565 39.501 39.000 -0.107 0.000 1.599 291 F HN -0.088 nan 8.300 nan 0.000 0.490 292 V N 3.239 123.176 119.914 0.039 0.000 2.381 292 V HA 0.068 4.189 4.120 0.002 0.000 0.257 292 V C -1.428 174.664 176.094 -0.002 0.000 1.057 292 V CA -0.786 61.539 62.300 0.043 0.000 1.013 292 V CB 0.472 32.335 31.823 0.066 0.000 1.069 292 V HN -0.031 nan 8.190 nan 0.000 0.484 293 P HA -0.136 nan 4.420 nan 0.000 0.215 293 P C 1.080 178.490 177.300 0.182 0.000 1.153 293 P CA 1.940 65.088 63.100 0.080 0.000 0.853 293 P CB 0.007 31.786 31.700 0.132 0.000 0.788 294 H N -1.499 117.651 119.070 0.133 0.000 3.332 294 H HA 0.549 5.106 4.556 0.002 0.000 0.235 294 H C 0.454 175.847 175.328 0.108 0.000 1.633 294 H CA 0.200 56.352 56.048 0.173 0.000 1.288 294 H CB -1.572 28.260 29.762 0.117 0.000 1.547 294 H HN 0.076 nan 8.280 nan 0.000 0.622 295 M N 1.345 120.973 119.600 0.048 0.000 4.670 295 M HA 0.208 4.689 4.480 0.002 0.000 0.540 295 M C -3.119 173.181 176.300 -0.000 0.000 2.001 295 M CA -1.205 54.083 55.300 -0.020 0.000 0.488 295 M CB 1.803 34.321 32.600 -0.136 0.000 3.002 295 M HN 0.198 nan 8.290 nan 0.000 0.600 296 P HA 0.170 nan 4.420 nan 0.000 0.276 296 P C -1.137 176.319 177.300 0.261 0.000 1.230 296 P CA -0.071 63.118 63.100 0.149 0.000 0.776 296 P CB 0.865 32.426 31.700 -0.232 0.000 0.888 297 K N 3.184 123.721 120.400 0.229 0.000 2.368 297 K HA 0.187 4.508 4.320 0.002 0.000 0.282 297 K C -0.258 176.372 176.600 0.050 0.000 1.035 297 K CA -0.513 55.834 56.287 0.099 0.000 0.973 297 K CB 0.102 32.556 32.500 -0.077 0.000 0.957 297 K HN 0.234 nan 8.250 nan 0.000 0.474 298 L N 3.368 124.570 121.223 -0.036 0.000 2.456 298 L HA 0.177 4.518 4.340 0.002 0.000 0.257 298 L C 0.168 176.892 176.870 -0.243 0.000 1.162 298 L CA 0.162 54.916 54.840 -0.143 0.000 0.808 298 L CB 0.780 42.749 42.059 -0.151 0.000 1.136 298 L HN 0.753 nan 8.230 nan 0.000 0.466 299 N N -1.116 117.489 118.700 -0.157 0.000 2.817 299 N HA 0.134 4.875 4.740 0.002 0.000 0.234 299 N C 0.523 175.965 175.510 -0.113 0.000 1.066 299 N CA -0.012 53.069 53.050 0.051 0.000 0.926 299 N CB 0.477 39.093 38.487 0.214 0.000 1.176 299 N HN 0.701 nan 8.380 nan 0.000 0.506 300 T N -0.585 113.848 114.554 -0.201 0.000 3.051 300 T HA -0.070 4.281 4.350 0.002 0.000 0.269 300 T C 1.624 176.256 174.700 -0.113 0.000 1.127 300 T CA 0.691 62.593 62.100 -0.330 0.000 1.107 300 T CB -0.011 68.477 68.868 -0.632 0.000 0.898 300 T HN 0.436 nan 8.240 nan 0.000 0.517 301 A N 0.577 123.382 122.820 -0.024 0.000 2.208 301 A HA 0.156 4.477 4.320 0.002 0.000 0.209 301 A C 0.861 178.443 177.584 -0.002 0.000 1.161 301 A CA 0.012 52.054 52.037 0.008 0.000 0.782 301 A CB -0.740 18.273 19.000 0.021 0.000 0.816 301 A HN 0.722 nan 8.150 nan 0.000 0.477 302 H N 0.376 119.373 119.070 -0.122 0.000 2.620 302 H HA 0.233 4.790 4.556 0.001 0.000 0.313 302 H C -1.381 173.834 175.328 -0.188 0.000 1.075 302 H CA -1.763 54.185 56.048 -0.167 0.000 1.397 302 H CB 1.343 30.944 29.762 -0.269 0.000 1.446 302 H HN 0.023 nan 8.280 nan 0.000 0.493 303 P HA -0.263 nan 4.420 nan 0.000 0.216 303 P C 1.034 178.366 177.300 0.055 0.000 1.157 303 P CA 1.273 64.388 63.100 0.026 0.000 0.880 303 P CB 0.498 32.185 31.700 -0.022 0.000 0.791 304 E N -0.256 120.027 120.200 0.139 0.000 2.006 304 E HA -0.095 4.256 4.350 0.002 0.000 0.192 304 E C 2.307 178.672 176.600 -0.390 0.000 0.993 304 E CA 0.789 57.133 56.400 -0.093 0.000 0.808 304 E CB -1.263 28.353 29.700 -0.141 0.000 0.764 304 E HN 0.004 nan 8.360 nan 0.000 0.449 305 V N 1.949 121.302 119.914 -0.935 0.000 2.231 305 V HA -0.322 3.799 4.120 0.002 0.000 0.250 305 V C 2.597 178.497 176.094 -0.325 0.000 1.058 305 V CA 2.338 64.075 62.300 -0.938 0.000 1.022 305 V CB -0.548 30.757 31.823 -0.862 0.000 0.640 305 V HN 0.294 nan 8.190 nan 0.000 0.445 306 K N -0.492 119.805 120.400 -0.172 0.000 2.127 306 K HA -0.273 4.048 4.320 0.002 0.000 0.208 306 K C 2.376 179.025 176.600 0.082 0.000 1.047 306 K CA 2.048 58.377 56.287 0.070 0.000 0.927 306 K CB -0.180 32.388 32.500 0.112 0.000 0.716 306 K HN 0.327 nan 8.250 nan 0.000 0.450 307 R N -0.787 119.729 120.500 0.026 0.000 2.153 307 R HA -0.130 4.211 4.340 0.002 0.000 0.218 307 R C 2.070 178.424 176.300 0.091 0.000 1.072 307 R CA 0.888 57.022 56.100 0.056 0.000 0.990 307 R CB -0.162 30.180 30.300 0.069 0.000 0.889 307 R HN 0.255 nan 8.270 nan 0.000 0.452 308 Y N 1.100 121.377 120.300 -0.038 0.000 2.109 308 Y HA -0.144 4.407 4.550 0.002 0.000 0.281 308 Y C 1.777 177.611 175.900 -0.108 0.000 1.113 308 Y CA 1.717 59.835 58.100 0.030 0.000 1.098 308 Y CB -0.501 38.015 38.460 0.093 0.000 0.996 308 Y HN -0.069 nan 8.280 nan 0.000 0.485 309 L N -0.402 120.607 121.223 -0.357 0.000 2.081 309 L HA -0.257 4.084 4.340 0.002 0.000 0.212 309 L C 2.353 178.925 176.870 -0.497 0.000 1.080 309 L CA 1.136 55.461 54.840 -0.859 0.000 0.754 309 L CB -0.896 40.488 42.059 -1.125 0.000 0.893 309 L HN 0.283 nan 8.230 nan 0.000 0.433 310 L N -0.328 120.807 121.223 -0.146 0.000 2.275 310 L HA -0.161 4.180 4.340 0.002 0.000 0.215 310 L C 1.844 178.681 176.870 -0.055 0.000 1.119 310 L CA 1.558 56.362 54.840 -0.061 0.000 0.790 310 L CB -0.549 41.480 42.059 -0.049 0.000 0.919 310 L HN 0.165 nan 8.230 nan 0.000 0.443 311 D N -2.038 118.326 120.400 -0.059 0.000 2.305 311 D HA -0.015 4.626 4.640 0.002 0.000 0.206 311 D C 2.264 178.608 176.300 0.074 0.000 0.974 311 D CA 0.504 54.541 54.000 0.062 0.000 0.871 311 D CB 0.420 41.302 40.800 0.138 0.000 0.947 311 D HN 0.065 nan 8.370 nan 0.000 0.516 312 V N 0.712 120.499 119.914 -0.211 0.000 2.407 312 V HA -0.098 4.023 4.120 0.002 0.000 0.245 312 V C 2.423 178.655 176.094 0.231 0.000 1.041 312 V CA 1.555 63.662 62.300 -0.320 0.000 1.040 312 V CB -0.500 30.980 31.823 -0.571 0.000 0.671 312 V HN 0.167 nan 8.190 nan 0.000 0.455 313 A N 0.627 123.543 122.820 0.160 0.000 2.024 313 A HA -0.218 4.103 4.320 0.002 0.000 0.220 313 A C 2.371 180.206 177.584 0.418 0.000 1.164 313 A CA 2.474 54.610 52.037 0.165 0.000 0.643 313 A CB -0.711 18.206 19.000 -0.139 0.000 0.806 313 A HN 0.649 nan 8.150 nan 0.000 0.451 314 T N -4.874 109.842 114.554 0.270 0.000 3.051 314 T HA -0.005 4.346 4.350 0.002 0.000 0.255 314 T C 1.694 176.577 174.700 0.304 0.000 1.085 314 T CA 0.880 63.135 62.100 0.258 0.000 1.109 314 T CB -0.428 68.519 68.868 0.132 0.000 0.921 314 T HN 0.391 nan 8.240 nan 0.000 0.488 315 Y N 1.702 122.124 120.300 0.203 0.000 2.070 315 Y HA -0.082 4.470 4.550 0.002 0.000 0.279 315 Y C 1.650 177.644 175.900 0.156 0.000 1.134 315 Y CA 1.116 59.272 58.100 0.093 0.000 1.113 315 Y CB -0.765 37.679 38.460 -0.028 0.000 0.981 315 Y HN 0.253 nan 8.280 nan 0.000 0.487 316 W N 0.310 121.840 121.300 0.382 0.000 2.632 316 W HA -0.052 4.609 4.660 0.001 0.000 0.248 316 W C 1.860 178.557 176.519 0.297 0.000 1.259 316 W CA 0.614 58.197 57.345 0.397 0.000 1.288 316 W CB -0.364 29.377 29.460 0.469 0.000 1.136 316 W HN 0.097 nan 8.180 nan 0.000 0.640 317 I N -0.814 120.008 120.570 0.419 0.000 3.462 317 I HA 0.017 4.188 4.170 0.002 0.000 0.290 317 I C 2.480 178.688 176.117 0.152 0.000 1.236 317 I CA 0.531 62.000 61.300 0.282 0.000 1.418 317 I CB -0.181 38.005 38.000 0.310 0.000 1.102 317 I HN -0.087 nan 8.210 nan 0.000 0.441 318 R N 0.799 121.344 120.500 0.075 0.000 2.062 318 R HA 0.011 4.352 4.340 0.002 0.000 0.218 318 R C 1.903 178.114 176.300 -0.148 0.000 1.161 318 R CA 0.675 56.761 56.100 -0.024 0.000 0.994 318 R CB 0.276 30.559 30.300 -0.028 0.000 0.888 318 R HN 0.057 nan 8.270 nan 0.000 0.442 319 E N -0.434 119.555 120.200 -0.351 0.000 2.478 319 E HA -0.095 4.256 4.350 0.002 0.000 0.198 319 E C 0.362 176.387 176.600 -0.957 0.000 1.046 319 E CA 0.899 56.865 56.400 -0.724 0.000 0.870 319 E CB 0.338 29.321 29.700 -1.194 0.000 0.818 319 E HN 0.338 nan 8.360 nan 0.000 0.527 320 F N -0.984 118.963 119.950 -0.005 0.000 2.974 320 F HA 0.143 4.671 4.527 0.002 0.000 0.357 320 F C 0.360 176.229 175.800 0.114 0.000 1.114 320 F CA -0.542 57.512 58.000 0.090 0.000 1.099 320 F CB 0.649 39.765 39.000 0.192 0.000 1.205 320 F HN -0.214 nan 8.300 nan 0.000 0.535 321 D N 2.532 123.057 120.400 0.209 0.000 2.882 321 D HA -0.230 4.411 4.640 0.002 0.000 0.229 321 D C 0.330 176.773 176.300 0.239 0.000 1.167 321 D CA 0.793 54.901 54.000 0.180 0.000 0.759 321 D CB -0.963 39.926 40.800 0.148 0.000 1.088 321 D HN 0.543 nan 8.370 nan 0.000 0.425 322 I N -2.957 117.745 120.570 0.220 0.000 2.948 322 I HA 0.052 4.223 4.170 0.002 0.000 0.290 322 I C 0.723 176.915 176.117 0.124 0.000 1.226 322 I CA 0.360 61.741 61.300 0.134 0.000 1.413 322 I CB 0.627 38.616 38.000 -0.017 0.000 1.352 322 I HN -0.124 nan 8.210 nan 0.000 0.597 323 D N 4.159 124.650 120.400 0.152 0.000 2.402 323 D HA 0.309 4.950 4.640 0.002 0.000 0.216 323 D C 0.519 177.052 176.300 0.388 0.000 1.128 323 D CA 0.158 54.289 54.000 0.219 0.000 0.833 323 D CB 0.996 41.845 40.800 0.083 0.000 0.971 323 D HN 0.860 nan 8.370 nan 0.000 0.503 324 G N 0.167 109.087 108.800 0.199 0.000 2.550 324 G HA2 0.450 4.411 3.960 0.002 0.000 0.293 324 G HA3 0.450 4.411 3.960 0.002 0.000 0.293 324 G C -2.285 172.578 174.900 -0.060 0.000 1.402 324 G CA -0.925 44.307 45.100 0.220 0.000 0.784 324 G HN 0.108 nan 8.290 nan 0.000 0.482 325 W N 0.242 121.583 121.300 0.068 0.000 3.326 325 W HA 0.572 5.234 4.660 0.002 0.000 0.333 325 W C -0.147 176.219 176.519 -0.254 0.000 1.108 325 W CA -0.851 56.493 57.345 -0.001 0.000 1.245 325 W CB 2.094 31.660 29.460 0.176 0.000 1.331 325 W HN 0.354 nan 8.180 nan 0.000 0.464 326 R N 3.810 124.317 120.500 0.011 0.000 2.368 326 R HA 0.561 4.902 4.340 0.002 0.000 0.302 326 R C -1.018 175.112 176.300 -0.283 0.000 1.002 326 R CA -0.568 55.322 56.100 -0.351 0.000 0.929 326 R CB 1.072 31.084 30.300 -0.480 0.000 1.073 326 R HN 0.651 nan 8.270 nan 0.000 0.464 327 L N 3.563 124.479 121.223 -0.510 0.000 2.295 327 L HA 0.281 4.622 4.340 0.002 0.000 0.281 327 L C -0.033 176.622 176.870 -0.358 0.000 1.018 327 L CA -0.883 53.643 54.840 -0.525 0.000 0.841 327 L CB 1.333 42.835 42.059 -0.928 0.000 1.218 327 L HN 0.429 nan 8.230 nan 0.000 0.424 328 D N 2.445 122.723 120.400 -0.203 0.000 2.417 328 D HA 0.192 4.833 4.640 0.002 0.000 0.250 328 D C 0.648 176.888 176.300 -0.101 0.000 1.166 328 D CA 0.261 54.191 54.000 -0.116 0.000 0.881 328 D CB 0.909 41.677 40.800 -0.054 0.000 1.164 328 D HN 0.324 nan 8.370 nan 0.000 0.467 329 V N 2.940 122.830 119.914 -0.039 0.000 5.616 329 V HA -0.304 3.817 4.120 0.002 0.000 0.301 329 V C 1.545 177.665 176.094 0.044 0.000 0.564 329 V CA 0.917 63.246 62.300 0.048 0.000 0.653 329 V CB -2.471 29.467 31.823 0.191 0.000 0.372 329 V HN 0.731 nan 8.190 nan 0.000 1.029 330 A N 1.618 124.399 122.820 -0.065 0.000 1.969 330 A HA -0.140 4.181 4.320 0.002 0.000 0.218 330 A C 1.949 179.637 177.584 0.173 0.000 1.169 330 A CA 1.613 53.662 52.037 0.022 0.000 0.635 330 A CB -0.357 18.297 19.000 -0.576 0.000 0.810 330 A HN 1.059 nan 8.150 nan 0.000 0.445 331 N N 0.290 118.919 118.700 -0.118 0.000 2.512 331 N HA -0.114 4.627 4.740 0.002 0.000 0.183 331 N C 0.786 176.463 175.510 0.279 0.000 1.073 331 N CA 1.203 54.149 53.050 -0.174 0.000 0.911 331 N CB -0.487 37.741 38.487 -0.432 0.000 0.964 331 N HN 0.625 nan 8.380 nan 0.000 0.447 332 E N -0.277 120.065 120.200 0.236 0.000 2.419 332 E HA 0.270 4.621 4.350 0.002 0.000 0.190 332 E C -0.281 176.453 176.600 0.222 0.000 1.040 332 E CA -0.145 56.390 56.400 0.224 0.000 0.900 332 E CB 0.342 30.125 29.700 0.139 0.000 1.054 332 E HN 0.395 nan 8.360 nan 0.000 0.462 333 I N 1.823 122.589 120.570 0.326 0.000 2.433 333 I HA 0.053 4.224 4.170 0.002 0.000 0.292 333 I C -0.388 175.850 176.117 0.201 0.000 1.001 333 I CA -1.202 60.178 61.300 0.133 0.000 1.119 333 I CB 1.564 39.506 38.000 -0.098 0.000 1.289 333 I HN 0.025 nan 8.210 nan 0.000 0.438 334 D N 4.230 124.682 120.400 0.087 0.000 2.502 334 D HA -0.118 4.523 4.640 0.002 0.000 0.249 334 D C 0.959 177.387 176.300 0.214 0.000 1.188 334 D CA 0.198 54.303 54.000 0.176 0.000 0.890 334 D CB 0.534 41.393 40.800 0.098 0.000 1.140 334 D HN 0.454 nan 8.370 nan 0.000 0.505 335 H N 1.109 120.286 119.070 0.179 0.000 2.407 335 H HA -0.256 4.301 4.556 0.002 0.000 0.293 335 H C 1.719 177.130 175.328 0.139 0.000 1.122 335 H CA 2.004 58.167 56.048 0.191 0.000 1.232 335 H CB -0.160 29.623 29.762 0.036 0.000 1.361 335 H HN 0.544 nan 8.280 nan 0.000 0.498 336 Q N -0.104 119.821 119.800 0.208 0.000 2.014 336 Q HA -0.183 4.158 4.340 0.002 0.000 0.207 336 Q C 2.192 178.261 176.000 0.115 0.000 0.993 336 Q CA 1.918 57.800 55.803 0.131 0.000 0.850 336 Q CB -1.005 27.789 28.738 0.093 0.000 0.916 336 Q HN 0.536 nan 8.270 nan 0.000 0.417 337 F N -0.814 119.081 119.950 -0.093 0.000 2.091 337 F HA -0.241 4.287 4.527 0.002 0.000 0.299 337 F C 1.689 177.464 175.800 -0.042 0.000 1.103 337 F CA 2.047 59.938 58.000 -0.182 0.000 1.228 337 F CB -0.615 38.113 39.000 -0.454 0.000 0.984 337 F HN 0.228 nan 8.300 nan 0.000 0.477 338 W N 0.793 122.211 121.300 0.196 0.000 2.350 338 W HA -0.184 4.477 4.660 0.002 0.000 0.289 338 W C 2.477 179.039 176.519 0.071 0.000 1.215 338 W CA 1.000 58.421 57.345 0.127 0.000 1.236 338 W CB -0.341 29.182 29.460 0.106 0.000 1.130 338 W HN -0.035 nan 8.180 nan 0.000 0.541 339 R N 0.374 121.015 120.500 0.236 0.000 2.148 339 R HA -0.061 4.280 4.340 0.002 0.000 0.223 339 R C 1.648 177.993 176.300 0.075 0.000 1.088 339 R CA 1.163 57.348 56.100 0.142 0.000 0.985 339 R CB -0.572 29.787 30.300 0.099 0.000 0.880 339 R HN 0.328 nan 8.270 nan 0.000 0.451 340 E N 0.513 120.711 120.200 -0.003 0.000 2.112 340 E HA -0.122 4.229 4.350 0.002 0.000 0.190 340 E C 1.573 178.111 176.600 -0.103 0.000 0.979 340 E CA 0.709 57.057 56.400 -0.086 0.000 0.814 340 E CB -0.094 29.500 29.700 -0.176 0.000 0.762 340 E HN 0.212 nan 8.360 nan 0.000 0.460 341 F N 2.305 122.079 119.950 -0.294 0.000 2.075 341 F HA -0.189 4.339 4.527 0.002 0.000 0.297 341 F C 2.602 178.412 175.800 0.017 0.000 1.113 341 F CA 1.860 59.755 58.000 -0.175 0.000 1.218 341 F CB -0.076 38.942 39.000 0.031 0.000 0.984 341 F HN -0.204 nan 8.300 nan 0.000 0.472 342 R N 0.235 120.886 120.500 0.252 0.000 2.105 342 R HA -0.209 4.132 4.340 0.002 0.000 0.239 342 R C 2.154 178.467 176.300 0.021 0.000 1.135 342 R CA 2.011 58.196 56.100 0.142 0.000 0.967 342 R CB -0.478 29.923 30.300 0.169 0.000 0.861 342 R HN 0.445 nan 8.270 nan 0.000 0.442 343 Q N -0.259 119.546 119.800 0.008 0.000 2.079 343 Q HA -0.098 4.244 4.340 0.002 0.000 0.200 343 Q C 2.167 178.144 176.000 -0.039 0.000 0.974 343 Q CA 1.575 57.371 55.803 -0.011 0.000 0.840 343 Q CB -0.058 28.675 28.738 -0.008 0.000 0.898 343 Q HN 0.511 nan 8.270 nan 0.000 0.430 344 A N 0.605 123.373 122.820 -0.088 0.000 1.832 344 A HA -0.158 4.163 4.320 0.002 0.000 0.214 344 A C 2.311 179.844 177.584 -0.086 0.000 1.200 344 A CA 1.748 53.726 52.037 -0.099 0.000 0.610 344 A CB -1.211 17.694 19.000 -0.158 0.000 0.842 344 A HN 0.341 nan 8.150 nan 0.000 0.444 345 V N -2.084 117.733 119.914 -0.162 0.000 2.407 345 V HA -0.184 3.937 4.120 0.002 0.000 0.248 345 V C 1.823 177.927 176.094 0.017 0.000 1.055 345 V CA 2.432 64.689 62.300 -0.071 0.000 1.049 345 V CB -0.779 30.960 31.823 -0.139 0.000 0.662 345 V HN 0.373 nan 8.190 nan 0.000 0.455 346 K N 0.718 121.123 120.400 0.008 0.000 2.432 346 K HA 0.280 4.601 4.320 0.002 0.000 0.196 346 K C 2.123 178.741 176.600 0.030 0.000 1.038 346 K CA 1.176 57.484 56.287 0.035 0.000 0.986 346 K CB -0.154 32.361 32.500 0.025 0.000 0.782 346 K HN 0.673 nan 8.250 nan 0.000 0.485 347 A N 0.823 123.653 122.820 0.016 0.000 1.984 347 A HA 0.043 4.364 4.320 0.002 0.000 0.214 347 A C 2.078 179.677 177.584 0.026 0.000 1.173 347 A CA 0.317 52.364 52.037 0.017 0.000 0.673 347 A CB -0.161 18.842 19.000 0.006 0.000 0.830 347 A HN 0.151 nan 8.150 nan 0.000 0.453 348 L N -1.080 120.163 121.223 0.032 0.000 2.013 348 L HA 0.079 4.420 4.340 0.002 0.000 0.204 348 L C 1.033 177.935 176.870 0.053 0.000 1.081 348 L CA 1.370 56.236 54.840 0.044 0.000 0.751 348 L CB -0.029 42.066 42.059 0.060 0.000 0.901 348 L HN 0.317 nan 8.230 nan 0.000 0.440 349 K N -0.453 119.991 120.400 0.074 0.000 2.687 349 K HA 0.223 4.544 4.320 0.002 0.000 0.197 349 K C -2.096 174.568 176.600 0.107 0.000 1.049 349 K CA -1.652 54.685 56.287 0.084 0.000 1.030 349 K CB 1.537 34.096 32.500 0.098 0.000 1.261 349 K HN -0.105 nan 8.250 nan 0.000 0.565 350 P HA -0.201 nan 4.420 nan 0.000 0.218 350 P C 0.179 177.570 177.300 0.151 0.000 1.147 350 P CA 1.227 64.385 63.100 0.096 0.000 0.827 350 P CB 0.267 32.010 31.700 0.072 0.000 0.778 351 D N -1.601 118.918 120.400 0.198 0.000 2.349 351 D HA 0.009 4.650 4.640 0.002 0.000 0.224 351 D C 0.318 176.918 176.300 0.501 0.000 1.029 351 D CA 0.204 54.420 54.000 0.361 0.000 0.879 351 D CB -0.184 40.803 40.800 0.312 0.000 0.906 351 D HN -0.010 nan 8.370 nan 0.000 0.528 352 V N 1.402 121.521 119.914 0.341 0.000 2.763 352 V HA -0.148 3.973 4.120 0.002 0.000 0.306 352 V C 0.087 176.423 176.094 0.403 0.000 1.059 352 V CA -0.055 62.472 62.300 0.378 0.000 1.138 352 V CB 0.263 32.260 31.823 0.291 0.000 0.940 352 V HN 0.095 nan 8.190 nan 0.000 0.489 353 Y N 5.450 125.925 120.300 0.290 0.000 2.367 353 Y HA 0.533 5.084 4.550 0.002 0.000 0.342 353 Y C 0.058 175.976 175.900 0.029 0.000 0.979 353 Y CA -0.854 57.298 58.100 0.088 0.000 1.161 353 Y CB 0.894 39.379 38.460 0.041 0.000 1.155 353 Y HN 0.527 nan 8.280 nan 0.000 0.503 354 I N 8.340 128.714 120.570 -0.327 0.000 2.291 354 I HA 0.198 4.369 4.170 0.002 0.000 0.290 354 I C -0.975 174.686 176.117 -0.760 0.000 1.050 354 I CA -0.426 60.690 61.300 -0.306 0.000 1.245 354 I CB 0.712 38.686 38.000 -0.042 0.000 1.405 354 I HN 0.482 nan 8.210 nan 0.000 0.478 355 L N 6.627 127.352 121.223 -0.830 0.000 2.307 355 L HA 0.846 5.187 4.340 0.002 0.000 0.284 355 L C 0.101 176.340 176.870 -1.051 0.000 1.023 355 L CA 0.058 54.313 54.840 -0.975 0.000 0.810 355 L CB 1.596 43.062 42.059 -0.988 0.000 1.231 355 L HN 0.519 nan 8.230 nan 0.000 0.423 356 G N 2.787 110.902 108.800 -1.142 0.000 2.461 356 G HA2 0.444 4.405 3.960 0.002 0.000 0.323 356 G HA3 0.444 4.405 3.960 0.002 0.000 0.323 356 G C -1.212 173.267 174.900 -0.702 0.000 1.229 356 G CA -0.535 43.801 45.100 -1.273 0.000 0.941 356 G HN 0.751 nan 8.290 nan 0.000 0.477 357 E N 1.759 121.648 120.200 -0.517 0.000 2.070 357 E HA 0.404 4.755 4.350 0.002 0.000 0.282 357 E C -0.680 175.805 176.600 -0.192 0.000 1.104 357 E CA -0.242 56.010 56.400 -0.247 0.000 0.876 357 E CB 0.253 29.902 29.700 -0.086 0.000 1.055 357 E HN 0.287 nan 8.360 nan 0.000 0.401 358 I N 5.170 125.634 120.570 -0.175 0.000 2.540 358 I HA 0.145 4.316 4.170 0.002 0.000 0.280 358 I C -0.704 175.364 176.117 -0.082 0.000 1.083 358 I CA -0.730 60.409 61.300 -0.267 0.000 1.080 358 I CB 0.983 38.670 38.000 -0.521 0.000 1.205 358 I HN 0.704 nan 8.210 nan 0.000 0.459 359 W N 4.623 125.760 121.300 -0.271 0.000 3.310 359 W HA 0.065 4.726 4.660 0.002 0.000 0.259 359 W C 0.937 177.459 176.519 0.004 0.000 1.324 359 W CA -0.032 57.245 57.345 -0.113 0.000 1.636 359 W CB -0.894 28.387 29.460 -0.298 0.000 1.104 359 W HN 0.596 nan 8.180 nan 0.000 0.722 360 H N -4.038 115.182 119.070 0.251 0.000 3.038 360 H HA 0.348 4.905 4.556 0.002 0.000 0.289 360 H C -0.727 174.743 175.328 0.237 0.000 1.510 360 H CA -1.521 54.656 56.048 0.214 0.000 1.227 360 H CB -0.002 29.868 29.762 0.180 0.000 1.880 360 H HN -0.317 nan 8.280 nan 0.000 0.594 361 D N -0.301 120.442 120.400 0.571 0.000 2.472 361 D HA 0.202 4.843 4.640 0.002 0.000 0.248 361 D C 0.074 176.777 176.300 0.672 0.000 1.174 361 D CA 0.681 54.961 54.000 0.466 0.000 0.883 361 D CB 0.371 41.332 40.800 0.268 0.000 1.149 361 D HN 0.767 nan 8.370 nan 0.000 0.488 362 A N 5.226 128.420 122.820 0.623 0.000 2.701 362 A HA 0.081 4.402 4.320 0.002 0.000 0.297 362 A C 1.618 179.635 177.584 0.722 0.000 1.197 362 A CA -0.447 52.059 52.037 0.781 0.000 0.963 362 A CB -0.065 19.195 19.000 0.433 0.000 1.175 362 A HN 0.553 nan 8.150 nan 0.000 0.531 363 M N 0.962 120.868 119.600 0.511 0.000 2.082 363 M HA -0.061 4.420 4.480 0.002 0.000 0.258 363 M C -1.022 175.399 176.300 0.202 0.000 1.069 363 M CA 1.399 56.895 55.300 0.326 0.000 1.102 363 M CB -1.734 30.935 32.600 0.116 0.000 1.336 363 M HN 0.168 nan 8.290 nan 0.000 0.404 364 P HA -0.184 nan 4.420 nan 0.000 0.220 364 P C 1.131 178.284 177.300 -0.244 0.000 1.144 364 P CA 1.346 64.331 63.100 -0.192 0.000 0.800 364 P CB -0.341 31.020 31.700 -0.566 0.000 0.772 365 W N -1.863 119.457 121.300 0.033 0.000 3.107 365 W HA 0.307 4.968 4.660 0.001 0.000 0.293 365 W C 0.512 176.952 176.519 -0.131 0.000 1.239 365 W CA 0.061 57.247 57.345 -0.265 0.000 1.653 365 W CB 0.148 29.308 29.460 -0.499 0.000 1.068 365 W HN -0.114 nan 8.180 nan 0.000 0.615 366 L N 1.484 122.853 121.223 0.243 0.000 3.084 366 L HA 0.313 4.654 4.340 0.002 0.000 0.238 366 L C 1.416 178.398 176.870 0.187 0.000 1.327 366 L CA -0.014 54.966 54.840 0.234 0.000 1.094 366 L CB -0.084 42.004 42.059 0.047 0.000 1.477 366 L HN -0.186 nan 8.230 nan 0.000 0.514 367 R N 0.291 120.936 120.500 0.242 0.000 2.362 367 R HA 0.263 4.604 4.340 0.002 0.000 0.227 367 R C 1.249 177.771 176.300 0.370 0.000 0.905 367 R CA 0.619 56.855 56.100 0.227 0.000 1.067 367 R CB 0.909 31.289 30.300 0.133 0.000 1.078 367 R HN 0.564 nan 8.270 nan 0.000 0.516 368 G N 2.215 111.302 108.800 0.478 0.000 2.179 368 G HA2 -0.236 3.725 3.960 0.002 0.000 0.220 368 G HA3 -0.236 3.725 3.960 0.002 0.000 0.220 368 G C 0.462 175.381 174.900 0.032 0.000 0.990 368 G CA 0.404 45.611 45.100 0.179 0.000 0.646 368 G HN 0.510 nan 8.290 nan 0.000 0.517 369 D N -0.589 119.856 120.400 0.076 0.000 2.417 369 D HA 0.165 4.806 4.640 0.002 0.000 0.207 369 D C 1.463 177.796 176.300 0.054 0.000 1.075 369 D CA 0.785 54.818 54.000 0.054 0.000 0.851 369 D CB 0.229 41.069 40.800 0.067 0.000 0.976 369 D HN 0.531 nan 8.370 nan 0.000 0.505 370 Q N -0.735 119.081 119.800 0.026 0.000 2.160 370 Q HA 0.250 4.591 4.340 0.002 0.000 0.166 370 Q C -0.302 175.759 176.000 0.102 0.000 0.592 370 Q CA -0.411 55.389 55.803 -0.005 0.000 0.711 370 Q CB 0.611 29.168 28.738 -0.302 0.000 1.157 370 Q HN -0.012 nan 8.270 nan 0.000 0.463 371 F N 1.485 121.414 119.950 -0.035 0.000 2.368 371 F HA 0.192 4.720 4.527 0.002 0.000 0.315 371 F C 1.037 176.750 175.800 -0.145 0.000 1.145 371 F CA -0.900 57.001 58.000 -0.165 0.000 1.095 371 F CB 0.259 39.110 39.000 -0.248 0.000 1.286 371 F HN 0.199 nan 8.300 nan 0.000 0.530 372 D N -0.217 120.138 120.400 -0.075 0.000 2.355 372 D HA 0.413 5.054 4.640 0.002 0.000 0.206 372 D C 0.337 176.614 176.300 -0.037 0.000 1.010 372 D CA 0.721 54.612 54.000 -0.182 0.000 0.875 372 D CB 0.909 41.462 40.800 -0.411 0.000 0.966 372 D HN 0.469 nan 8.370 nan 0.000 0.512 373 A N -0.340 122.383 122.820 -0.162 0.000 2.415 373 A HA 0.483 4.804 4.320 0.002 0.000 0.294 373 A C -1.430 175.998 177.584 -0.260 0.000 1.019 373 A CA -0.381 51.571 52.037 -0.143 0.000 0.603 373 A CB 0.497 19.440 19.000 -0.094 0.000 1.382 373 A HN 0.028 nan 8.150 nan 0.000 0.483 374 V N -2.608 117.174 119.914 -0.220 0.000 3.160 374 V HA 0.732 4.853 4.120 0.002 0.000 0.310 374 V C 0.102 176.063 176.094 -0.223 0.000 1.181 374 V CA -1.098 61.033 62.300 -0.282 0.000 1.047 374 V CB 1.931 33.641 31.823 -0.188 0.000 1.068 374 V HN 0.931 nan 8.190 nan 0.000 0.441 375 M N 3.019 122.460 119.600 -0.264 0.000 3.070 375 M HA 0.186 4.667 4.480 0.002 0.000 0.275 375 M C 0.513 176.615 176.300 -0.330 0.000 1.510 375 M CA 0.103 55.260 55.300 -0.238 0.000 1.608 375 M CB -1.100 31.322 32.600 -0.296 0.000 1.266 375 M HN 0.789 nan 8.290 nan 0.000 0.514 376 N N 1.923 120.491 118.700 -0.220 0.000 2.253 376 N HA -0.153 4.588 4.740 0.002 0.000 0.291 376 N C 0.064 175.394 175.510 -0.300 0.000 1.309 376 N CA 0.707 53.647 53.050 -0.183 0.000 1.097 376 N CB -0.007 38.410 38.487 -0.116 0.000 1.499 376 N HN 0.410 nan 8.380 nan 0.000 0.484 377 Y N 2.751 122.903 120.300 -0.246 0.000 2.420 377 Y HA 0.070 4.621 4.550 0.002 0.000 0.292 377 Y C -0.481 175.366 175.900 -0.088 0.000 1.119 377 Y CA 0.456 58.378 58.100 -0.296 0.000 1.229 377 Y CB -0.468 37.672 38.460 -0.532 0.000 1.026 377 Y HN 0.487 nan 8.280 nan 0.000 0.554 378 P HA -0.199 nan 4.420 nan 0.000 0.217 378 P C 1.849 179.200 177.300 0.086 0.000 1.150 378 P CA 1.312 64.494 63.100 0.137 0.000 0.832 378 P CB -0.001 31.798 31.700 0.165 0.000 0.787 379 L N -0.043 121.209 121.223 0.049 0.000 2.005 379 L HA -0.050 4.291 4.340 0.002 0.000 0.207 379 L C 2.566 179.457 176.870 0.034 0.000 1.072 379 L CA 2.376 57.233 54.840 0.028 0.000 0.744 379 L CB -1.360 40.697 42.059 -0.002 0.000 0.895 379 L HN -0.099 nan 8.230 nan 0.000 0.433 380 A N -0.375 122.435 122.820 -0.018 0.000 1.927 380 A HA -0.363 3.958 4.320 0.002 0.000 0.220 380 A C 1.963 179.565 177.584 0.029 0.000 1.185 380 A CA 2.390 54.411 52.037 -0.026 0.000 0.639 380 A CB -1.320 17.608 19.000 -0.121 0.000 0.820 380 A HN 0.665 nan 8.150 nan 0.000 0.451 381 D N -0.683 119.756 120.400 0.064 0.000 2.116 381 D HA -0.095 4.546 4.640 0.002 0.000 0.193 381 D C 2.179 178.519 176.300 0.067 0.000 0.998 381 D CA 1.874 55.923 54.000 0.081 0.000 0.836 381 D CB -0.147 40.718 40.800 0.108 0.000 0.951 381 D HN 0.440 nan 8.370 nan 0.000 0.449 382 A N 0.223 123.098 122.820 0.092 0.000 1.930 382 A HA 0.025 4.346 4.320 0.002 0.000 0.217 382 A C 2.235 179.933 177.584 0.190 0.000 1.175 382 A CA 1.928 54.066 52.037 0.168 0.000 0.627 382 A CB -0.862 18.232 19.000 0.157 0.000 0.815 382 A HN 0.294 nan 8.150 nan 0.000 0.443 383 A N -0.019 122.873 122.820 0.121 0.000 1.858 383 A HA -0.039 4.282 4.320 0.002 0.000 0.216 383 A C 2.145 179.656 177.584 -0.120 0.000 1.190 383 A CA 1.488 53.466 52.037 -0.099 0.000 0.617 383 A CB -0.673 18.339 19.000 0.021 0.000 0.827 383 A HN 0.461 nan 8.150 nan 0.000 0.443 384 L N -1.234 119.968 121.223 -0.036 0.000 2.131 384 L HA -0.140 4.201 4.340 0.002 0.000 0.210 384 L C 2.792 179.620 176.870 -0.070 0.000 1.092 384 L CA 1.234 56.054 54.840 -0.035 0.000 0.759 384 L CB -0.527 41.526 42.059 -0.011 0.000 0.903 384 L HN 0.387 nan 8.230 nan 0.000 0.435 385 R N -0.609 119.852 120.500 -0.065 0.000 2.148 385 R HA -0.167 4.174 4.340 0.002 0.000 0.227 385 R C 2.148 178.375 176.300 -0.122 0.000 1.103 385 R CA 1.365 57.429 56.100 -0.059 0.000 0.983 385 R CB -0.040 30.257 30.300 -0.005 0.000 0.874 385 R HN 0.254 nan 8.270 nan 0.000 0.451 386 F N -0.545 119.090 119.950 -0.525 0.000 2.222 386 F HA 0.041 4.569 4.527 0.002 0.000 0.285 386 F C 1.466 176.877 175.800 -0.649 0.000 1.068 386 F CA 0.880 58.395 58.000 -0.810 0.000 1.265 386 F CB -0.448 37.456 39.000 -1.826 0.000 1.087 386 F HN -0.187 nan 8.300 nan 0.000 0.511 387 F N 0.402 120.061 119.950 -0.485 0.000 2.234 387 F HA 0.163 4.691 4.527 0.002 0.000 0.296 387 F C 2.334 177.958 175.800 -0.293 0.000 1.089 387 F CA 0.979 58.717 58.000 -0.436 0.000 1.343 387 F CB -1.381 37.452 39.000 -0.278 0.000 1.040 387 F HN 0.088 nan 8.300 nan 0.000 0.498 388 A N 0.357 123.145 122.820 -0.052 0.000 1.865 388 A HA -0.031 4.290 4.320 0.002 0.000 0.216 388 A C 2.127 179.662 177.584 -0.082 0.000 1.315 388 A CA 0.796 52.795 52.037 -0.063 0.000 0.605 388 A CB -0.635 18.340 19.000 -0.042 0.000 0.984 388 A HN 0.170 nan 8.150 nan 0.000 0.470 389 K N -0.423 119.932 120.400 -0.075 0.000 2.209 389 K HA -0.086 4.235 4.320 0.002 0.000 0.204 389 K C -0.319 176.231 176.600 -0.083 0.000 1.048 389 K CA 1.037 57.287 56.287 -0.063 0.000 0.940 389 K CB -0.155 32.319 32.500 -0.045 0.000 0.729 389 K HN 0.594 nan 8.250 nan 0.000 0.451 390 E N 0.389 120.504 120.200 -0.142 0.000 2.476 390 E HA -0.260 4.091 4.350 0.002 0.000 0.251 390 E C 0.116 176.656 176.600 -0.100 0.000 1.130 390 E CA 0.310 56.598 56.400 -0.186 0.000 0.736 390 E CB -0.882 28.733 29.700 -0.141 0.000 1.298 390 E HN 0.334 nan 8.360 nan 0.000 0.400 391 D N 0.156 120.515 120.400 -0.068 0.000 2.088 391 D HA -0.097 4.544 4.640 0.002 0.000 0.196 391 D C 1.502 177.799 176.300 -0.005 0.000 0.983 391 D CA 1.814 55.796 54.000 -0.029 0.000 0.846 391 D CB -0.022 40.766 40.800 -0.020 0.000 0.992 391 D HN 0.426 nan 8.370 nan 0.000 0.448 392 M N -0.374 119.239 119.600 0.022 0.000 1.855 392 M HA 0.211 4.692 4.480 0.002 0.000 0.221 392 M C 0.850 177.226 176.300 0.127 0.000 1.275 392 M CA -0.393 54.943 55.300 0.059 0.000 0.937 392 M CB 0.459 33.097 32.600 0.063 0.000 1.279 392 M HN -0.041 nan 8.290 nan 0.000 0.490 393 S N -0.781 115.001 115.700 0.137 0.000 2.776 393 S HA 0.739 5.210 4.470 0.002 0.000 0.306 393 S C 0.770 175.498 174.600 0.215 0.000 1.114 393 S CA -0.369 57.948 58.200 0.195 0.000 0.973 393 S CB 1.157 64.412 63.200 0.091 0.000 1.250 393 S HN 0.808 nan 8.310 nan 0.000 0.549 394 A N 0.666 123.618 122.820 0.220 0.000 1.930 394 A HA 0.140 4.461 4.320 0.002 0.000 0.215 394 A C 2.340 179.897 177.584 -0.045 0.000 1.176 394 A CA 1.659 53.715 52.037 0.031 0.000 0.632 394 A CB -1.359 17.778 19.000 0.229 0.000 0.819 394 A HN 0.747 nan 8.150 nan 0.000 0.445 395 S N -0.767 114.933 115.700 0.001 0.000 2.395 395 S HA -0.079 4.392 4.470 0.002 0.000 0.225 395 S C 1.877 176.423 174.600 -0.089 0.000 1.027 395 S CA 1.173 59.352 58.200 -0.034 0.000 0.965 395 S CB -0.210 62.987 63.200 -0.005 0.000 0.812 395 S HN 0.662 nan 8.310 nan 0.000 0.482 396 E N -0.163 120.002 120.200 -0.057 0.000 2.106 396 E HA -0.106 4.245 4.350 0.002 0.000 0.192 396 E C 1.701 178.235 176.600 -0.110 0.000 0.984 396 E CA 1.016 57.376 56.400 -0.067 0.000 0.806 396 E CB -0.207 29.481 29.700 -0.019 0.000 0.750 396 E HN 0.547 nan 8.360 nan 0.000 0.458 397 F N 1.757 121.506 119.950 -0.335 0.000 2.102 397 F HA -0.130 4.398 4.527 0.002 0.000 0.298 397 F C 2.186 177.662 175.800 -0.540 0.000 1.105 397 F CA 1.370 59.074 58.000 -0.494 0.000 1.239 397 F CB -0.524 37.905 39.000 -0.952 0.000 0.991 397 F HN -0.071 nan 8.300 nan 0.000 0.474 398 A N -0.102 122.311 122.820 -0.677 0.000 1.972 398 A HA -0.171 4.150 4.320 0.002 0.000 0.219 398 A C 1.998 179.115 177.584 -0.780 0.000 1.169 398 A CA 1.950 53.347 52.037 -1.066 0.000 0.635 398 A CB -0.907 17.739 19.000 -0.590 0.000 0.810 398 A HN 0.445 nan 8.150 nan 0.000 0.446 399 D N -0.694 119.463 120.400 -0.406 0.000 2.085 399 D HA -0.129 4.512 4.640 0.002 0.000 0.199 399 D C 2.082 178.277 176.300 -0.174 0.000 0.981 399 D CA 1.520 55.390 54.000 -0.216 0.000 0.834 399 D CB -0.435 40.292 40.800 -0.121 0.000 0.992 399 D HN 0.495 nan 8.370 nan 0.000 0.457 400 R N 0.171 120.552 120.500 -0.198 0.000 2.170 400 R HA -0.148 4.193 4.340 0.002 0.000 0.242 400 R C 1.978 178.191 176.300 -0.145 0.000 1.145 400 R CA 0.885 56.899 56.100 -0.143 0.000 0.984 400 R CB -0.255 29.965 30.300 -0.135 0.000 0.869 400 R HN 0.066 nan 8.270 nan 0.000 0.455 401 L N -0.361 120.640 121.223 -0.371 0.000 2.068 401 L HA 0.008 4.349 4.340 0.002 0.000 0.204 401 L C 2.057 178.844 176.870 -0.138 0.000 1.076 401 L CA 1.483 56.108 54.840 -0.357 0.000 0.753 401 L CB -0.384 41.209 42.059 -0.777 0.000 0.910 401 L HN 0.247 nan 8.230 nan 0.000 0.439 402 M N -1.531 117.951 119.600 -0.196 0.000 2.460 402 M HA -0.162 4.319 4.480 0.002 0.000 0.263 402 M C 2.028 178.376 176.300 0.081 0.000 1.071 402 M CA 1.155 56.456 55.300 0.002 0.000 1.096 402 M CB -1.051 31.557 32.600 0.013 0.000 1.408 402 M HN 0.373 nan 8.290 nan 0.000 0.463 403 H N 0.257 119.308 119.070 -0.031 0.000 2.343 403 H HA -0.083 4.474 4.556 0.002 0.000 0.307 403 H C 1.872 177.186 175.328 -0.024 0.000 1.045 403 H CA 2.752 58.804 56.048 0.006 0.000 1.281 403 H CB -0.204 29.577 29.762 0.033 0.000 1.425 403 H HN 0.048 nan 8.280 nan 0.000 0.540 404 V N -0.233 119.811 119.914 0.217 0.000 2.428 404 V HA -0.271 3.850 4.120 0.002 0.000 0.255 404 V C 2.529 178.655 176.094 0.054 0.000 1.080 404 V CA 1.938 64.317 62.300 0.133 0.000 1.083 404 V CB -1.293 30.638 31.823 0.179 0.000 0.665 404 V HN 0.309 nan 8.190 nan 0.000 0.461 405 L N -0.314 120.925 121.223 0.027 0.000 2.046 405 L HA -0.111 4.230 4.340 0.002 0.000 0.208 405 L C 2.709 179.471 176.870 -0.179 0.000 1.077 405 L CA 2.089 56.912 54.840 -0.029 0.000 0.747 405 L CB -0.961 41.062 42.059 -0.060 0.000 0.896 405 L HN 0.400 nan 8.230 nan 0.000 0.432 406 H N -1.924 116.960 119.070 -0.310 0.000 2.529 406 H HA 0.084 4.641 4.556 0.002 0.000 0.277 406 H C 2.108 177.175 175.328 -0.436 0.000 0.999 406 H CA 1.043 56.803 56.048 -0.478 0.000 1.256 406 H CB 0.117 29.246 29.762 -1.056 0.000 1.402 406 H HN 0.403 nan 8.280 nan 0.000 0.566 407 S N -0.048 115.461 115.700 -0.320 0.000 2.727 407 S HA -0.031 4.440 4.470 0.002 0.000 0.226 407 S C -0.156 174.148 174.600 -0.494 0.000 0.963 407 S CA 0.059 58.009 58.200 -0.417 0.000 0.950 407 S CB -0.489 62.426 63.200 -0.475 0.000 0.779 407 S HN 0.142 nan 8.310 nan 0.000 0.532 408 Y N 0.358 120.558 120.300 -0.168 0.000 2.597 408 Y HA 0.570 5.121 4.550 0.002 0.000 0.340 408 Y C -2.766 172.966 175.900 -0.280 0.000 1.097 408 Y CA -2.694 55.283 58.100 -0.205 0.000 1.037 408 Y CB 1.442 39.783 38.460 -0.198 0.000 1.305 408 Y HN -0.065 nan 8.280 nan 0.000 0.463 409 P HA 0.197 nan 4.420 nan 0.000 0.279 409 P C 0.118 177.155 177.300 -0.438 0.000 1.239 409 P CA -0.318 62.286 63.100 -0.827 0.000 0.789 409 P CB 1.685 32.297 31.700 -1.812 0.000 0.933 410 K N 2.013 122.350 120.400 -0.106 0.000 2.023 410 K HA -0.298 4.023 4.320 0.002 0.000 0.227 410 K C 2.208 178.778 176.600 -0.048 0.000 1.054 410 K CA 2.739 59.060 56.287 0.057 0.000 0.977 410 K CB -0.437 32.289 32.500 0.378 0.000 0.733 410 K HN 0.577 nan 8.250 nan 0.000 0.451 411 Q N 0.251 119.999 119.800 -0.086 0.000 2.242 411 Q HA -0.219 4.122 4.340 0.002 0.000 0.211 411 Q C 2.070 177.986 176.000 -0.140 0.000 0.992 411 Q CA 1.998 57.723 55.803 -0.131 0.000 0.889 411 Q CB -0.745 27.909 28.738 -0.140 0.000 0.913 411 Q HN 0.249 nan 8.270 nan 0.000 0.422 412 V N 2.421 122.079 119.914 -0.426 0.000 2.307 412 V HA -0.236 3.885 4.120 0.002 0.000 0.245 412 V C 2.089 178.012 176.094 -0.285 0.000 1.045 412 V CA 2.041 64.011 62.300 -0.550 0.000 1.024 412 V CB -0.617 30.736 31.823 -0.785 0.000 0.651 412 V HN 0.424 nan 8.190 nan 0.000 0.449 413 N N 0.077 118.642 118.700 -0.225 0.000 2.120 413 N HA -0.178 4.563 4.740 0.002 0.000 0.188 413 N C 1.764 177.232 175.510 -0.069 0.000 1.024 413 N CA 1.286 54.256 53.050 -0.134 0.000 0.852 413 N CB -0.322 38.114 38.487 -0.085 0.000 1.003 413 N HN 0.567 nan 8.380 nan 0.000 0.424 414 E N -0.057 120.115 120.200 -0.047 0.000 2.455 414 E HA -0.042 4.309 4.350 0.002 0.000 0.202 414 E C 0.486 177.090 176.600 0.007 0.000 1.045 414 E CA 0.504 56.896 56.400 -0.014 0.000 0.872 414 E CB 0.093 29.796 29.700 0.005 0.000 0.792 414 E HN 0.326 nan 8.360 nan 0.000 0.542 415 A N 0.073 122.906 122.820 0.022 0.000 2.624 415 A HA 0.509 4.830 4.320 0.002 0.000 0.287 415 A C 0.424 178.075 177.584 0.112 0.000 1.087 415 A CA -0.127 51.960 52.037 0.083 0.000 0.964 415 A CB 0.539 19.620 19.000 0.135 0.000 1.231 415 A HN 0.151 nan 8.150 nan 0.000 0.551 416 A N -0.218 122.622 122.820 0.033 0.000 2.511 416 A HA 0.447 4.768 4.320 0.002 0.000 0.242 416 A C -0.216 177.426 177.584 0.098 0.000 1.069 416 A CA 0.031 52.079 52.037 0.018 0.000 0.763 416 A CB -0.406 18.571 19.000 -0.039 0.000 1.001 416 A HN 0.652 nan 8.150 nan 0.000 0.498 417 F N 2.852 122.746 119.950 -0.093 0.000 2.652 417 F HA 0.160 4.688 4.527 0.002 0.000 0.352 417 F C 0.332 176.026 175.800 -0.176 0.000 1.259 417 F CA -0.685 57.232 58.000 -0.139 0.000 1.249 417 F CB -0.530 38.325 39.000 -0.241 0.000 1.628 417 F HN 0.625 nan 8.300 nan 0.000 0.654 418 N N 6.690 125.251 118.700 -0.231 0.000 2.549 418 N HA 0.185 4.926 4.740 0.002 0.000 0.267 418 N C -0.237 175.058 175.510 -0.357 0.000 1.182 418 N CA -0.268 52.641 53.050 -0.235 0.000 1.019 418 N CB 0.369 38.793 38.487 -0.105 0.000 1.380 418 N HN 0.554 nan 8.380 nan 0.000 0.505 419 L N -1.036 119.922 121.223 -0.441 0.000 2.376 419 L HA 0.551 4.892 4.340 0.002 0.000 0.267 419 L C 0.138 176.793 176.870 -0.359 0.000 1.035 419 L CA -0.845 53.731 54.840 -0.439 0.000 0.800 419 L CB 1.058 42.816 42.059 -0.501 0.000 1.290 419 L HN 0.333 nan 8.230 nan 0.000 0.462 420 L N -0.119 120.919 121.223 -0.309 0.000 2.840 420 L HA 0.553 4.894 4.340 0.002 0.000 0.249 420 L C 0.599 177.339 176.870 -0.218 0.000 1.119 420 L CA 0.403 55.098 54.840 -0.242 0.000 0.930 420 L CB 1.050 42.965 42.059 -0.240 0.000 1.295 420 L HN 0.969 nan 8.230 nan 0.000 0.534 421 G N -0.954 107.695 108.800 -0.253 0.000 2.506 421 G HA2 0.505 4.466 3.960 0.002 0.000 0.292 421 G HA3 0.505 4.466 3.960 0.002 0.000 0.292 421 G C -1.532 173.155 174.900 -0.356 0.000 1.425 421 G CA 0.385 45.345 45.100 -0.234 0.000 0.788 421 G HN -0.049 nan 8.290 nan 0.000 0.490 422 S N -2.194 113.179 115.700 -0.545 0.000 2.683 422 S HA 0.376 4.847 4.470 0.002 0.000 0.269 422 S C 0.834 174.827 174.600 -1.013 0.000 1.165 422 S CA 0.608 58.285 58.200 -0.872 0.000 0.840 422 S CB 0.157 63.153 63.200 -0.341 0.000 1.169 422 S HN 1.961 nan 8.310 nan 0.000 0.490 423 H N -0.177 118.516 119.070 -0.629 0.000 2.554 423 H HA 0.169 4.726 4.556 0.002 0.000 0.290 423 H C 0.360 175.686 175.328 -0.003 0.000 1.058 423 H CA 1.637 57.630 56.048 -0.091 0.000 1.224 423 H CB -0.408 29.396 29.762 0.070 0.000 1.359 423 H HN 0.471 nan 8.280 nan 0.000 0.589 424 D N 0.465 120.630 120.400 -0.391 0.000 2.440 424 D HA 0.083 4.724 4.640 0.002 0.000 0.216 424 D C 0.386 176.699 176.300 0.022 0.000 1.150 424 D CA 0.685 54.607 54.000 -0.131 0.000 0.832 424 D CB 0.732 41.474 40.800 -0.097 0.000 0.992 424 D HN 0.594 nan 8.370 nan 0.000 0.502 425 T N -2.197 112.344 114.554 -0.022 0.000 2.883 425 T HA 0.464 4.815 4.350 0.002 0.000 0.301 425 T C -3.089 171.610 174.700 -0.002 0.000 1.158 425 T CA -1.909 60.213 62.100 0.036 0.000 1.007 425 T CB 2.810 71.735 68.868 0.095 0.000 1.186 425 T HN -0.330 nan 8.240 nan 0.000 0.499 426 P HA 0.112 nan 4.420 nan 0.000 0.266 426 P C -0.199 177.109 177.300 0.013 0.000 1.193 426 P CA -0.345 62.767 63.100 0.021 0.000 0.770 426 P CB 0.416 32.127 31.700 0.019 0.000 0.836 427 R N 1.736 122.255 120.500 0.031 0.000 2.623 427 R HA 0.005 4.346 4.340 0.002 0.000 0.271 427 R C 1.513 177.822 176.300 0.016 0.000 1.043 427 R CA -0.395 55.728 56.100 0.039 0.000 1.083 427 R CB -0.142 30.183 30.300 0.043 0.000 0.974 427 R HN 0.467 nan 8.270 nan 0.000 0.436 428 L N 4.019 125.249 121.223 0.011 0.000 2.051 428 L HA -0.243 4.098 4.340 0.002 0.000 0.214 428 L C 2.003 178.874 176.870 0.001 0.000 1.076 428 L CA 1.782 56.614 54.840 -0.014 0.000 0.758 428 L CB -0.664 41.373 42.059 -0.035 0.000 0.890 428 L HN 0.687 nan 8.230 nan 0.000 0.433 429 L N -0.973 120.264 121.223 0.023 0.000 2.027 429 L HA -0.142 4.199 4.340 0.002 0.000 0.206 429 L C 2.658 179.529 176.870 0.001 0.000 1.074 429 L CA 2.428 57.279 54.840 0.019 0.000 0.745 429 L CB -1.179 40.897 42.059 0.029 0.000 0.898 429 L HN 0.589 nan 8.230 nan 0.000 0.433 430 T N -2.936 111.620 114.554 0.004 0.000 2.833 430 T HA -0.142 4.209 4.350 0.002 0.000 0.269 430 T C 1.773 176.469 174.700 -0.007 0.000 1.054 430 T CA 1.628 63.727 62.100 -0.000 0.000 1.135 430 T CB -0.846 68.026 68.868 0.006 0.000 0.869 430 T HN 0.156 nan 8.240 nan 0.000 0.466 431 V N 0.367 120.277 119.914 -0.008 0.000 2.970 431 V HA -0.017 4.104 4.120 0.002 0.000 0.260 431 V C 2.604 178.681 176.094 -0.028 0.000 1.100 431 V CA 1.033 63.324 62.300 -0.015 0.000 1.122 431 V CB -0.705 31.109 31.823 -0.014 0.000 0.721 431 V HN 0.664 nan 8.190 nan 0.000 0.483 432 C N 0.634 119.914 119.300 -0.033 0.000 2.791 432 C HA 0.478 4.939 4.460 0.002 0.000 0.270 432 C C 1.896 176.849 174.990 -0.062 0.000 1.257 432 C CA 0.162 59.147 59.018 -0.056 0.000 1.699 432 C CB -1.115 26.589 27.740 -0.061 0.000 1.904 432 C HN 0.791 nan 8.230 nan 0.000 0.603 433 G N 0.373 109.149 108.800 -0.040 0.000 2.160 433 G HA2 0.014 3.975 3.960 0.002 0.000 0.244 433 G HA3 0.014 3.975 3.960 0.002 0.000 0.244 433 G C 0.945 175.826 174.900 -0.032 0.000 1.022 433 G CA 0.527 45.606 45.100 -0.034 0.000 0.741 433 G HN 1.430 nan 8.290 nan 0.000 0.508 434 G N -0.735 108.049 108.800 -0.027 0.000 2.189 434 G HA2 -0.291 3.670 3.960 0.002 0.000 0.267 434 G HA3 -0.291 3.670 3.960 0.002 0.000 0.267 434 G C 0.312 175.194 174.900 -0.030 0.000 0.975 434 G CA 0.998 46.086 45.100 -0.020 0.000 0.644 434 G HN 1.308 nan 8.290 nan 0.000 0.537 435 D N 1.225 121.591 120.400 -0.057 0.000 2.508 435 D HA 0.383 5.024 4.640 0.002 0.000 0.224 435 D C 1.861 178.110 176.300 -0.085 0.000 1.171 435 D CA 0.112 54.060 54.000 -0.086 0.000 1.006 435 D CB 0.358 41.062 40.800 -0.159 0.000 1.073 435 D HN 0.148 nan 8.370 nan 0.000 0.513 436 V N 3.747 123.638 119.914 -0.038 0.000 3.099 436 V HA -0.220 3.901 4.120 0.002 0.000 0.269 436 V C 2.457 178.538 176.094 -0.021 0.000 1.150 436 V CA 1.197 63.492 62.300 -0.009 0.000 1.165 436 V CB -0.708 31.121 31.823 0.011 0.000 0.756 436 V HN 0.430 nan 8.190 nan 0.000 0.527 437 R N 0.115 120.574 120.500 -0.068 0.000 2.092 437 R HA -0.094 4.247 4.340 0.002 0.000 0.231 437 R C 2.428 178.663 176.300 -0.109 0.000 1.119 437 R CA 1.312 57.375 56.100 -0.062 0.000 0.970 437 R CB -0.125 30.127 30.300 -0.081 0.000 0.864 437 R HN 0.507 nan 8.270 nan 0.000 0.440 438 K N -0.216 120.048 120.400 -0.228 0.000 2.031 438 K HA -0.035 4.286 4.320 0.002 0.000 0.205 438 K C 1.978 178.506 176.600 -0.120 0.000 1.049 438 K CA 1.002 57.156 56.287 -0.222 0.000 0.939 438 K CB -0.021 32.323 32.500 -0.260 0.000 0.717 438 K HN -0.040 nan 8.250 nan 0.000 0.438 439 V N 2.183 122.074 119.914 -0.039 0.000 2.380 439 V HA -0.334 3.787 4.120 0.002 0.000 0.251 439 V C 2.717 178.927 176.094 0.194 0.000 1.063 439 V CA 2.529 64.872 62.300 0.073 0.000 1.055 439 V CB -0.884 31.026 31.823 0.145 0.000 0.657 439 V HN 0.490 nan 8.190 nan 0.000 0.455 440 K N -0.548 119.940 120.400 0.146 0.000 2.148 440 K HA -0.045 4.276 4.320 0.002 0.000 0.204 440 K C 2.012 178.651 176.600 0.066 0.000 1.050 440 K CA 1.662 58.094 56.287 0.243 0.000 0.942 440 K CB -0.656 31.890 32.500 0.075 0.000 0.724 440 K HN 0.507 nan 8.250 nan 0.000 0.446 441 L N -0.215 120.908 121.223 -0.167 0.000 2.109 441 L HA -0.015 4.326 4.340 0.002 0.000 0.207 441 L C 2.696 179.199 176.870 -0.612 0.000 1.086 441 L CA 0.799 55.349 54.840 -0.482 0.000 0.760 441 L CB -0.219 41.502 42.059 -0.565 0.000 0.910 441 L HN 0.317 nan 8.230 nan 0.000 0.437 442 L N -1.395 119.545 121.223 -0.472 0.000 2.046 442 L HA -0.247 4.094 4.340 0.002 0.000 0.208 442 L C 2.422 179.199 176.870 -0.155 0.000 1.077 442 L CA 1.445 56.090 54.840 -0.324 0.000 0.747 442 L CB -0.438 41.486 42.059 -0.224 0.000 0.896 442 L HN 0.113 nan 8.230 nan 0.000 0.432 443 F N -0.708 119.164 119.950 -0.131 0.000 2.216 443 F HA -0.230 4.299 4.527 0.002 0.000 0.300 443 F C 2.183 177.884 175.800 -0.166 0.000 1.085 443 F CA 1.129 59.051 58.000 -0.130 0.000 1.326 443 F CB -0.275 38.623 39.000 -0.169 0.000 1.027 443 F HN 0.019 nan 8.300 nan 0.000 0.497 444 L N -1.052 120.141 121.223 -0.050 0.000 2.093 444 L HA -0.155 4.186 4.340 0.002 0.000 0.208 444 L C 2.128 179.030 176.870 0.054 0.000 1.085 444 L CA 1.577 56.338 54.840 -0.131 0.000 0.755 444 L CB -0.971 40.847 42.059 -0.402 0.000 0.904 444 L HN 0.128 nan 8.230 nan 0.000 0.435 445 F N 0.433 120.365 119.950 -0.030 0.000 2.039 445 F HA -0.221 4.307 4.527 0.002 0.000 0.294 445 F C 2.712 178.607 175.800 0.159 0.000 1.130 445 F CA 2.223 60.336 58.000 0.188 0.000 1.189 445 F CB -0.837 38.312 39.000 0.249 0.000 0.983 445 F HN 0.360 nan 8.300 nan 0.000 0.471 446 Q N 0.586 120.426 119.800 0.067 0.000 1.998 446 Q HA -0.246 4.095 4.340 0.002 0.000 0.209 446 Q C 2.049 178.022 176.000 -0.046 0.000 1.002 446 Q CA 2.649 58.413 55.803 -0.064 0.000 0.858 446 Q CB -0.743 27.957 28.738 -0.063 0.000 0.932 446 Q HN 0.569 nan 8.270 nan 0.000 0.416 447 L N 0.295 121.514 121.223 -0.006 0.000 2.642 447 L HA -0.083 4.258 4.340 0.002 0.000 0.236 447 L C 1.595 178.465 176.870 -0.000 0.000 1.169 447 L CA 1.012 55.852 54.840 -0.000 0.000 0.851 447 L CB -0.287 41.774 42.059 0.003 0.000 0.968 447 L HN 0.408 nan 8.230 nan 0.000 0.453 448 T N -1.487 113.075 114.554 0.012 0.000 3.001 448 T HA 0.134 4.485 4.350 0.002 0.000 0.251 448 T C 0.201 174.918 174.700 0.028 0.000 1.040 448 T CA -0.222 61.906 62.100 0.047 0.000 0.985 448 T CB 0.121 69.073 68.868 0.140 0.000 1.011 448 T HN -0.096 nan 8.240 nan 0.000 0.509 449 F N 2.767 122.557 119.950 -0.267 0.000 2.404 449 F HA 0.364 4.892 4.527 0.002 0.000 0.345 449 F C 0.895 176.582 175.800 -0.188 0.000 1.110 449 F CA -0.721 57.080 58.000 -0.332 0.000 1.130 449 F CB 0.852 39.507 39.000 -0.575 0.000 1.129 449 F HN -0.134 nan 8.300 nan 0.000 0.500 450 T N 3.517 117.900 114.554 -0.285 0.000 2.937 450 T HA 0.475 4.826 4.350 0.002 0.000 0.316 450 T C 0.450 175.123 174.700 -0.045 0.000 1.079 450 T CA 0.788 62.795 62.100 -0.156 0.000 1.131 450 T CB 0.367 69.110 68.868 -0.210 0.000 1.000 450 T HN 1.084 nan 8.240 nan 0.000 0.549 451 G N 0.865 109.652 108.800 -0.021 0.000 2.298 451 G HA2 0.185 4.146 3.960 0.002 0.000 0.309 451 G HA3 0.185 4.146 3.960 0.002 0.000 0.309 451 G C -0.505 174.409 174.900 0.023 0.000 1.279 451 G CA -0.191 44.915 45.100 0.009 0.000 1.042 451 G HN 0.943 nan 8.290 nan 0.000 0.480 452 S N 2.576 118.307 115.700 0.052 0.000 2.269 452 S HA 0.664 5.135 4.470 0.002 0.000 0.194 452 S C -1.923 172.710 174.600 0.055 0.000 1.547 452 S CA -0.572 57.697 58.200 0.115 0.000 1.186 452 S CB 0.986 64.322 63.200 0.226 0.000 1.069 452 S HN 0.631 nan 8.310 nan 0.000 0.473 453 P HA 0.236 nan 4.420 nan 0.000 0.271 453 P C -0.404 176.801 177.300 -0.159 0.000 1.244 453 P CA -0.365 62.648 63.100 -0.145 0.000 0.793 453 P CB 0.548 32.205 31.700 -0.072 0.000 0.984 454 C N 1.803 120.938 119.300 -0.275 0.000 2.811 454 C HA 0.605 5.066 4.460 0.002 0.000 0.352 454 C C -0.839 174.112 174.990 -0.065 0.000 1.098 454 C CA -0.641 58.286 59.018 -0.151 0.000 1.295 454 C CB -0.247 27.176 27.740 -0.529 0.000 1.758 454 C HN 0.433 nan 8.230 nan 0.000 0.488 455 I N 5.048 125.665 120.570 0.078 0.000 2.377 455 I HA 0.265 4.436 4.170 0.002 0.000 0.293 455 I C -0.756 175.348 176.117 -0.022 0.000 0.987 455 I CA -0.631 60.719 61.300 0.083 0.000 1.185 455 I CB 1.224 39.381 38.000 0.262 0.000 1.341 455 I HN 0.639 nan 8.210 nan 0.000 0.455 456 Y N 8.262 128.467 120.300 -0.159 0.000 2.585 456 Y HA 0.029 4.580 4.550 0.002 0.000 0.354 456 Y C 1.071 176.749 175.900 -0.370 0.000 1.024 456 Y CA -1.199 56.765 58.100 -0.227 0.000 1.321 456 Y CB -0.330 38.017 38.460 -0.189 0.000 1.151 456 Y HN 0.551 nan 8.280 nan 0.000 0.525 457 Y N 3.322 123.116 120.300 -0.843 0.000 2.244 457 Y HA -0.461 4.090 4.550 0.002 0.000 0.217 457 Y C 1.998 177.770 175.900 -0.214 0.000 1.315 457 Y CA 2.044 59.690 58.100 -0.758 0.000 0.957 457 Y CB -1.389 36.729 38.460 -0.570 0.000 0.746 457 Y HN 0.492 nan 8.280 nan 0.000 0.545 458 G N -0.272 107.924 108.800 -1.006 0.000 2.418 458 G HA2 -0.275 3.686 3.960 0.002 0.000 0.217 458 G HA3 -0.275 3.686 3.960 0.002 0.000 0.217 458 G C 1.222 176.017 174.900 -0.174 0.000 1.158 458 G CA 1.060 45.866 45.100 -0.491 0.000 0.771 458 G HN 0.577 nan 8.290 nan 0.000 0.545 459 D N 1.201 121.519 120.400 -0.137 0.000 2.271 459 D HA -0.106 4.535 4.640 0.002 0.000 0.207 459 D C 2.476 178.924 176.300 0.246 0.000 0.983 459 D CA 1.336 55.400 54.000 0.107 0.000 0.878 459 D CB -0.118 40.786 40.800 0.174 0.000 0.920 459 D HN 0.667 nan 8.370 nan 0.000 0.479 460 E N 0.218 120.536 120.200 0.196 0.000 2.285 460 E HA -0.075 4.276 4.350 0.002 0.000 0.194 460 E C 1.310 177.949 176.600 0.064 0.000 0.997 460 E CA 0.506 56.934 56.400 0.048 0.000 0.845 460 E CB -0.376 29.382 29.700 0.097 0.000 0.782 460 E HN 0.399 nan 8.360 nan 0.000 0.491 461 I N -2.261 118.394 120.570 0.143 0.000 3.207 461 I HA 0.564 4.735 4.170 0.002 0.000 0.343 461 I C 0.754 176.912 176.117 0.068 0.000 1.378 461 I CA -0.596 60.791 61.300 0.145 0.000 1.004 461 I CB 0.490 38.590 38.000 0.167 0.000 1.836 461 I HN 0.048 nan 8.210 nan 0.000 0.513 462 G N 2.257 111.094 108.800 0.062 0.000 2.422 462 G HA2 -0.338 3.623 3.960 0.002 0.000 0.301 462 G HA3 -0.338 3.623 3.960 0.002 0.000 0.301 462 G C 0.105 175.016 174.900 0.018 0.000 0.981 462 G CA 0.697 45.824 45.100 0.045 0.000 0.994 462 G HN 0.654 nan 8.290 nan 0.000 0.514 463 M N -0.156 119.446 119.600 0.004 0.000 2.202 463 M HA 0.576 5.057 4.480 0.002 0.000 0.316 463 M C 0.704 176.993 176.300 -0.019 0.000 1.138 463 M CA 0.481 55.761 55.300 -0.034 0.000 1.151 463 M CB 1.192 33.737 32.600 -0.092 0.000 1.422 463 M HN 0.373 nan 8.290 nan 0.000 0.471 464 T N 1.495 116.034 114.554 -0.025 0.000 3.071 464 T HA 0.652 5.003 4.350 0.002 0.000 0.311 464 T C -0.269 174.427 174.700 -0.006 0.000 1.042 464 T CA -0.164 61.931 62.100 -0.008 0.000 1.028 464 T CB 1.222 70.088 68.868 -0.003 0.000 1.068 464 T HN 0.804 nan 8.240 nan 0.000 0.451 465 G N 2.129 110.935 108.800 0.011 0.000 2.570 465 G HA2 0.623 4.584 3.960 0.002 0.000 0.213 465 G HA3 0.623 4.584 3.960 0.002 0.000 0.213 465 G C 0.893 175.812 174.900 0.032 0.000 1.391 465 G CA 0.318 45.432 45.100 0.024 0.000 0.533 465 G HN 1.789 nan 8.290 nan 0.000 1.072 466 G N 0.273 109.095 108.800 0.036 0.000 2.582 466 G HA2 -0.167 3.794 3.960 0.002 0.000 0.222 466 G HA3 -0.167 3.794 3.960 0.002 0.000 0.222 466 G C -0.552 174.372 174.900 0.041 0.000 1.311 466 G CA -0.258 44.860 45.100 0.031 0.000 0.915 466 G HN 0.541 nan 8.290 nan 0.000 0.528 467 N N 1.443 120.162 118.700 0.032 0.000 2.353 467 N HA 0.062 4.803 4.740 0.002 0.000 0.248 467 N C 0.466 176.006 175.510 0.049 0.000 1.240 467 N CA 0.489 53.559 53.050 0.033 0.000 0.862 467 N CB 0.365 38.864 38.487 0.020 0.000 1.086 467 N HN 0.719 nan 8.380 nan 0.000 0.453 468 D N 2.078 122.511 120.400 0.055 0.000 2.548 468 D HA -0.063 4.578 4.640 0.002 0.000 0.231 468 D C -1.422 174.923 176.300 0.075 0.000 1.142 468 D CA -0.580 53.469 54.000 0.083 0.000 0.866 468 D CB 0.787 41.629 40.800 0.070 0.000 1.190 468 D HN 0.367 nan 8.370 nan 0.000 0.469 469 P HA 0.079 nan 4.420 nan 0.000 0.257 469 P C 0.544 177.932 177.300 0.146 0.000 1.281 469 P CA 0.151 63.342 63.100 0.152 0.000 0.826 469 P CB 0.274 32.070 31.700 0.159 0.000 1.237 470 E N 0.179 120.441 120.200 0.105 0.000 2.331 470 E HA -0.151 4.200 4.350 0.002 0.000 0.199 470 E C 1.493 178.154 176.600 0.101 0.000 1.008 470 E CA 1.447 57.897 56.400 0.084 0.000 0.843 470 E CB -0.540 29.195 29.700 0.059 0.000 0.761 470 E HN 0.481 nan 8.360 nan 0.000 0.507 471 C N 0.368 119.755 119.300 0.146 0.000 2.576 471 C HA 0.198 4.659 4.460 0.002 0.000 0.267 471 C C 1.438 176.628 174.990 0.334 0.000 1.364 471 C CA -0.652 58.488 59.018 0.204 0.000 1.723 471 C CB -0.762 27.086 27.740 0.179 0.000 1.778 471 C HN 0.134 nan 8.230 nan 0.000 0.572 472 R N 1.008 121.684 120.500 0.293 0.000 2.700 472 R HA 0.265 4.606 4.340 0.002 0.000 0.377 472 R C -0.228 176.124 176.300 0.087 0.000 1.130 472 R CA -0.184 56.120 56.100 0.341 0.000 1.055 472 R CB -0.197 30.358 30.300 0.426 0.000 1.387 472 R HN 0.579 nan 8.270 nan 0.000 0.580 473 K N 0.966 121.380 120.400 0.023 0.000 2.397 473 K HA 0.062 4.383 4.320 0.002 0.000 0.265 473 K C 0.247 176.736 176.600 -0.184 0.000 0.982 473 K CA -0.014 56.194 56.287 -0.132 0.000 0.931 473 K CB 0.565 33.004 32.500 -0.101 0.000 0.943 473 K HN 0.114 nan 8.250 nan 0.000 0.501 474 C N 2.399 121.453 119.300 -0.410 0.000 2.657 474 C HA 0.025 4.486 4.460 0.002 0.000 0.420 474 C C 0.890 175.730 174.990 -0.249 0.000 1.323 474 C CA -0.901 57.885 59.018 -0.387 0.000 1.894 474 C CB -0.724 26.719 27.740 -0.496 0.000 2.681 474 C HN 0.726 nan 8.230 nan 0.000 0.613 475 M N 3.038 122.473 119.600 -0.274 0.000 2.245 475 M HA 0.117 4.598 4.480 0.002 0.000 0.335 475 M C -0.270 175.685 176.300 -0.575 0.000 1.155 475 M CA 0.336 55.374 55.300 -0.437 0.000 1.055 475 M CB 0.305 32.396 32.600 -0.847 0.000 1.670 475 M HN 0.527 nan 8.290 nan 0.000 0.447 476 V N 7.546 127.156 119.914 -0.507 0.000 2.299 476 V HA 0.055 4.176 4.120 0.002 0.000 0.255 476 V C -0.068 175.802 176.094 -0.372 0.000 1.100 476 V CA 0.083 62.183 62.300 -0.334 0.000 0.938 476 V CB -0.629 31.086 31.823 -0.181 0.000 1.139 476 V HN 1.009 nan 8.190 nan 0.000 0.490 477 W N 1.106 122.314 121.300 -0.154 0.000 3.345 477 W HA 0.181 4.842 4.660 0.002 0.000 0.282 477 W C 0.839 177.287 176.519 -0.119 0.000 1.302 477 W CA -0.613 56.623 57.345 -0.181 0.000 1.724 477 W CB 0.482 29.833 29.460 -0.182 0.000 1.104 477 W HN 0.447 nan 8.180 nan 0.000 0.694 478 D N 0.700 121.153 120.400 0.088 0.000 2.352 478 D HA 0.077 4.718 4.640 0.002 0.000 0.245 478 D C -1.533 174.784 176.300 0.028 0.000 1.224 478 D CA -2.267 51.762 54.000 0.048 0.000 0.879 478 D CB 1.425 42.237 40.800 0.019 0.000 1.057 478 D HN -0.122 nan 8.370 nan 0.000 0.491 479 P HA -0.156 nan 4.420 nan 0.000 0.222 479 P C 0.845 178.144 177.300 -0.001 0.000 1.142 479 P CA 0.959 64.062 63.100 0.005 0.000 0.788 479 P CB 0.344 32.040 31.700 -0.006 0.000 0.767 480 E N -0.210 119.991 120.200 0.002 0.000 2.216 480 E HA -0.031 4.320 4.350 0.002 0.000 0.192 480 E C 2.006 178.606 176.600 -0.000 0.000 0.973 480 E CA 0.755 57.155 56.400 -0.000 0.000 0.851 480 E CB -0.174 29.526 29.700 -0.001 0.000 0.804 480 E HN 0.015 nan 8.360 nan 0.000 0.477 481 K N 1.296 121.695 120.400 -0.002 0.000 2.400 481 K HA 0.027 4.348 4.320 0.002 0.000 0.194 481 K C 0.858 177.453 176.600 -0.009 0.000 1.033 481 K CA 0.758 57.041 56.287 -0.007 0.000 1.021 481 K CB -0.387 32.104 32.500 -0.014 0.000 0.808 481 K HN 0.461 nan 8.250 nan 0.000 0.505 482 Q N 0.732 120.531 119.800 -0.002 0.000 2.325 482 Q HA 0.282 4.623 4.340 0.002 0.000 0.262 482 Q C -0.853 175.164 176.000 0.029 0.000 0.968 482 Q CA -1.074 54.735 55.803 0.010 0.000 0.877 482 Q CB 1.082 29.828 28.738 0.013 0.000 1.253 482 Q HN 0.121 nan 8.270 nan 0.000 0.448 483 N N 2.748 121.474 118.700 0.042 0.000 2.396 483 N HA -0.092 4.649 4.740 0.002 0.000 0.287 483 N C 0.295 175.858 175.510 0.088 0.000 1.316 483 N CA 0.295 53.376 53.050 0.052 0.000 0.972 483 N CB 0.844 39.361 38.487 0.048 0.000 1.341 483 N HN 0.713 nan 8.380 nan 0.000 0.487 484 K N 3.027 123.466 120.400 0.064 0.000 2.288 484 K HA -0.054 4.267 4.320 0.002 0.000 0.201 484 K C 1.527 178.201 176.600 0.123 0.000 1.048 484 K CA 0.938 57.274 56.287 0.081 0.000 0.956 484 K CB 0.087 32.595 32.500 0.013 0.000 0.746 484 K HN 0.594 nan 8.250 nan 0.000 0.461 485 E N -0.090 120.158 120.200 0.080 0.000 2.072 485 E HA -0.189 4.162 4.350 0.002 0.000 0.191 485 E C 1.730 178.383 176.600 0.087 0.000 0.985 485 E CA 1.103 57.544 56.400 0.067 0.000 0.801 485 E CB -0.039 29.680 29.700 0.032 0.000 0.750 485 E HN 0.288 nan 8.360 nan 0.000 0.452 486 L N 0.404 121.677 121.223 0.083 0.000 2.072 486 L HA -0.119 4.222 4.340 0.002 0.000 0.205 486 L C 2.222 179.114 176.870 0.036 0.000 1.079 486 L CA 1.730 56.606 54.840 0.061 0.000 0.752 486 L CB -1.089 40.988 42.059 0.029 0.000 0.906 486 L HN 0.229 nan 8.230 nan 0.000 0.436 487 Y N 0.607 120.884 120.300 -0.038 0.000 2.128 487 Y HA -0.278 4.273 4.550 0.002 0.000 0.284 487 Y C 2.551 178.422 175.900 -0.048 0.000 1.154 487 Y CA 2.226 60.295 58.100 -0.051 0.000 1.149 487 Y CB -0.322 38.153 38.460 0.025 0.000 0.976 487 Y HN 0.357 nan 8.280 nan 0.000 0.505 488 E N -0.409 119.970 120.200 0.298 0.000 2.085 488 E HA -0.249 4.102 4.350 0.002 0.000 0.194 488 E C 2.156 178.796 176.600 0.066 0.000 0.994 488 E CA 1.774 58.290 56.400 0.194 0.000 0.801 488 E CB -0.697 29.108 29.700 0.174 0.000 0.743 488 E HN 0.683 nan 8.360 nan 0.000 0.453 489 H N -0.182 118.860 119.070 -0.047 0.000 2.265 489 H HA -0.097 4.460 4.556 0.002 0.000 0.295 489 H C 2.005 177.244 175.328 -0.148 0.000 1.084 489 H CA 2.220 58.231 56.048 -0.061 0.000 1.261 489 H CB -0.575 29.156 29.762 -0.051 0.000 1.360 489 H HN 0.069 nan 8.280 nan 0.000 0.487 490 V N 0.947 120.627 119.914 -0.390 0.000 2.392 490 V HA -0.257 3.864 4.120 0.002 0.000 0.249 490 V C 2.596 178.471 176.094 -0.365 0.000 1.059 490 V CA 2.253 64.240 62.300 -0.522 0.000 1.051 490 V CB -0.622 30.781 31.823 -0.700 0.000 0.658 490 V HN 0.441 nan 8.190 nan 0.000 0.455 491 K N 0.293 120.474 120.400 -0.364 0.000 2.148 491 K HA -0.205 4.116 4.320 0.002 0.000 0.204 491 K C 2.194 178.709 176.600 -0.143 0.000 1.050 491 K CA 1.486 57.604 56.287 -0.282 0.000 0.942 491 K CB -0.057 32.279 32.500 -0.273 0.000 0.724 491 K HN 0.692 nan 8.250 nan 0.000 0.446 492 Q N -0.190 119.553 119.800 -0.095 0.000 2.331 492 Q HA -0.081 4.260 4.340 0.002 0.000 0.203 492 Q C 1.793 177.766 176.000 -0.044 0.000 0.944 492 Q CA 0.369 56.152 55.803 -0.033 0.000 0.892 492 Q CB 0.063 28.817 28.738 0.028 0.000 0.983 492 Q HN 0.195 nan 8.270 nan 0.000 0.482 493 L N 1.270 122.426 121.223 -0.111 0.000 2.095 493 L HA 0.025 4.366 4.340 0.002 0.000 0.204 493 L C 2.194 179.023 176.870 -0.067 0.000 1.080 493 L CA 1.186 55.963 54.840 -0.106 0.000 0.759 493 L CB -0.656 41.278 42.059 -0.208 0.000 0.914 493 L HN 0.200 nan 8.230 nan 0.000 0.439 494 I N -0.612 119.904 120.570 -0.090 0.000 2.335 494 I HA -0.297 3.874 4.170 0.002 0.000 0.251 494 I C 2.394 178.486 176.117 -0.042 0.000 1.129 494 I CA 1.191 62.451 61.300 -0.067 0.000 1.402 494 I CB -0.436 37.505 38.000 -0.098 0.000 1.069 494 I HN 0.213 nan 8.210 nan 0.000 0.424 495 A N 0.276 123.074 122.820 -0.036 0.000 1.935 495 A HA -0.054 4.267 4.320 0.002 0.000 0.214 495 A C 2.116 179.721 177.584 0.035 0.000 1.178 495 A CA 0.600 52.631 52.037 -0.010 0.000 0.640 495 A CB -0.470 18.523 19.000 -0.012 0.000 0.825 495 A HN 0.253 nan 8.150 nan 0.000 0.447 496 L N 0.366 121.618 121.223 0.049 0.000 2.079 496 L HA -0.146 4.195 4.340 0.002 0.000 0.210 496 L C 2.507 179.471 176.870 0.157 0.000 1.081 496 L CA 2.242 57.154 54.840 0.120 0.000 0.752 496 L CB -0.745 41.343 42.059 0.049 0.000 0.896 496 L HN 0.594 nan 8.230 nan 0.000 0.433 497 R N -0.270 120.273 120.500 0.071 0.000 2.055 497 R HA -0.180 4.161 4.340 0.002 0.000 0.228 497 R C 2.349 178.681 176.300 0.053 0.000 1.143 497 R CA 1.549 57.686 56.100 0.062 0.000 0.945 497 R CB -0.408 29.902 30.300 0.016 0.000 0.841 497 R HN 0.192 nan 8.270 nan 0.000 0.429 498 K N 0.483 120.894 120.400 0.019 0.000 2.293 498 K HA -0.253 4.068 4.320 0.002 0.000 0.204 498 K C 2.008 178.601 176.600 -0.012 0.000 1.045 498 K CA 2.161 58.446 56.287 -0.004 0.000 0.933 498 K CB 0.022 32.510 32.500 -0.021 0.000 0.736 498 K HN 0.558 nan 8.250 nan 0.000 0.463 499 Q N -1.418 118.381 119.800 -0.002 0.000 2.378 499 Q HA -0.018 4.323 4.340 0.002 0.000 0.229 499 Q C -0.430 175.451 176.000 -0.199 0.000 0.882 499 Q CA -0.051 55.694 55.803 -0.096 0.000 0.936 499 Q CB 0.346 29.013 28.738 -0.118 0.000 1.092 499 Q HN 0.202 nan 8.270 nan 0.000 0.535 500 Y N 1.773 122.066 120.300 -0.011 0.000 2.717 500 Y HA 0.283 4.834 4.550 0.002 0.000 0.329 500 Y C 1.112 177.005 175.900 -0.011 0.000 1.017 500 Y CA -0.853 57.243 58.100 -0.008 0.000 1.275 500 Y CB 1.005 39.461 38.460 -0.006 0.000 1.109 500 Y HN 0.131 nan 8.280 nan 0.000 0.511 501 R N 2.612 123.153 120.500 0.068 0.000 2.136 501 R HA -0.328 4.013 4.340 0.002 0.000 0.242 501 R C 2.149 178.481 176.300 0.053 0.000 1.131 501 R CA 2.441 58.568 56.100 0.045 0.000 0.937 501 R CB -0.524 29.789 30.300 0.022 0.000 0.863 501 R HN 0.748 nan 8.270 nan 0.000 0.435 502 A N 0.449 123.311 122.820 0.070 0.000 2.009 502 A HA -0.216 4.105 4.320 0.002 0.000 0.222 502 A C 2.299 179.887 177.584 0.007 0.000 1.175 502 A CA 2.018 54.077 52.037 0.035 0.000 0.651 502 A CB -0.766 18.263 19.000 0.048 0.000 0.815 502 A HN 0.456 nan 8.150 nan 0.000 0.459 503 L N -1.043 120.202 121.223 0.038 0.000 2.056 503 L HA -0.204 4.137 4.340 0.002 0.000 0.207 503 L C 2.902 179.760 176.870 -0.018 0.000 1.078 503 L CA 1.847 56.692 54.840 0.009 0.000 0.749 503 L CB -0.433 41.650 42.059 0.041 0.000 0.901 503 L HN 0.585 nan 8.230 nan 0.000 0.433 504 R N 1.128 121.627 120.500 -0.002 0.000 2.105 504 R HA 0.039 4.380 4.340 0.002 0.000 0.214 504 R C 0.508 176.792 176.300 -0.026 0.000 1.091 504 R CA 0.280 56.372 56.100 -0.014 0.000 1.007 504 R CB -0.088 30.212 30.300 0.000 0.000 0.912 504 R HN 0.292 nan 8.270 nan 0.000 0.450 505 R N 0.924 121.413 120.500 -0.018 0.000 2.644 505 R HA 0.528 4.869 4.340 0.002 0.000 0.271 505 R C -0.759 175.531 176.300 -0.017 0.000 1.687 505 R CA -0.463 55.627 56.100 -0.016 0.000 1.655 505 R CB 1.591 31.896 30.300 0.008 0.000 1.285 505 R HN 0.208 nan 8.270 nan 0.000 0.643 506 G N 0.134 108.901 108.800 -0.054 0.000 2.866 506 G HA2 0.395 4.356 3.960 0.002 0.000 0.289 506 G HA3 0.395 4.356 3.960 0.002 0.000 0.289 506 G C -1.525 173.312 174.900 -0.105 0.000 1.396 506 G CA -0.612 44.455 45.100 -0.054 0.000 0.848 506 G HN 0.183 nan 8.290 nan 0.000 0.515 507 D N 0.704 121.046 120.400 -0.096 0.000 2.193 507 D HA 0.423 5.064 4.640 0.002 0.000 0.244 507 D C 1.033 177.234 176.300 -0.165 0.000 1.064 507 D CA -0.174 53.747 54.000 -0.131 0.000 0.845 507 D CB 2.130 42.877 40.800 -0.087 0.000 1.148 507 D HN 0.406 nan 8.370 nan 0.000 0.464 508 V N -0.358 119.404 119.914 -0.253 0.000 3.489 508 V HA 0.831 4.952 4.120 0.002 0.000 0.297 508 V C -0.178 175.802 176.094 -0.191 0.000 1.071 508 V CA -0.549 61.563 62.300 -0.313 0.000 1.074 508 V CB 1.180 32.656 31.823 -0.578 0.000 1.188 508 V HN 0.703 nan 8.190 nan 0.000 0.458 509 A N 1.226 123.900 122.820 -0.244 0.000 2.364 509 A HA 0.578 4.899 4.320 0.002 0.000 0.303 509 A C -0.979 176.574 177.584 -0.053 0.000 1.078 509 A CA -0.552 51.451 52.037 -0.057 0.000 0.970 509 A CB -0.399 18.592 19.000 -0.016 0.000 1.497 509 A HN 0.756 nan 8.150 nan 0.000 0.376 510 F N 0.778 120.783 119.950 0.092 0.000 2.450 510 F HA 0.554 5.082 4.527 0.002 0.000 0.339 510 F C 0.660 176.532 175.800 0.119 0.000 1.146 510 F CA -0.176 57.907 58.000 0.138 0.000 1.267 510 F CB 0.923 39.962 39.000 0.065 0.000 1.178 510 F HN 0.346 nan 8.300 nan 0.000 0.585 511 L N 2.263 123.676 121.223 0.317 0.000 2.480 511 L HA 0.270 4.611 4.340 0.002 0.000 0.253 511 L C -0.074 176.930 176.870 0.223 0.000 1.324 511 L CA -0.001 54.968 54.840 0.215 0.000 0.916 511 L CB 1.211 43.368 42.059 0.165 0.000 1.160 511 L HN 0.690 nan 8.230 nan 0.000 0.503 512 T N 0.378 115.053 114.554 0.202 0.000 2.952 512 T HA 0.913 5.264 4.350 0.002 0.000 0.286 512 T C -0.421 174.347 174.700 0.114 0.000 1.024 512 T CA -0.209 61.994 62.100 0.172 0.000 1.029 512 T CB 1.576 70.530 68.868 0.144 0.000 1.094 512 T HN 0.410 nan 8.240 nan 0.000 0.515 513 A N 2.099 124.976 122.820 0.095 0.000 2.374 513 A HA 0.598 4.919 4.320 0.002 0.000 0.317 513 A C 0.702 178.305 177.584 0.031 0.000 1.094 513 A CA -0.629 51.443 52.037 0.059 0.000 0.765 513 A CB 1.221 20.256 19.000 0.058 0.000 1.268 513 A HN 0.882 nan 8.150 nan 0.000 0.438 514 D N 0.771 121.183 120.400 0.019 0.000 2.178 514 D HA -0.135 4.506 4.640 0.002 0.000 0.202 514 D C 1.155 177.452 176.300 -0.004 0.000 0.974 514 D CA 2.231 56.235 54.000 0.006 0.000 0.841 514 D CB -0.029 40.773 40.800 0.003 0.000 0.953 514 D HN 0.807 nan 8.370 nan 0.000 0.478 515 D N 0.264 120.659 120.400 -0.009 0.000 2.120 515 D HA -0.087 4.554 4.640 0.002 0.000 0.202 515 D C 0.578 176.842 176.300 -0.059 0.000 0.972 515 D CA 0.505 54.490 54.000 -0.024 0.000 0.837 515 D CB -0.348 40.443 40.800 -0.016 0.000 0.989 515 D HN -0.115 nan 8.370 nan 0.000 0.469 516 E N 1.087 121.236 120.200 -0.085 0.000 1.775 516 E HA 0.072 4.423 4.350 0.002 0.000 0.266 516 E C 1.022 177.534 176.600 -0.145 0.000 1.191 516 E CA -0.110 56.154 56.400 -0.226 0.000 1.048 516 E CB 0.922 30.441 29.700 -0.301 0.000 1.081 516 E HN 0.209 nan 8.360 nan 0.000 0.434 517 V N 1.595 121.455 119.914 -0.090 0.000 2.867 517 V HA -0.231 3.890 4.120 0.002 0.000 0.260 517 V C 1.010 177.147 176.094 0.071 0.000 1.099 517 V CA 1.489 63.789 62.300 0.001 0.000 1.122 517 V CB -0.583 31.240 31.823 0.001 0.000 0.708 517 V HN 0.499 nan 8.190 nan 0.000 0.490 518 N N -1.617 117.093 118.700 0.018 0.000 2.235 518 N HA 0.188 4.929 4.740 0.002 0.000 0.231 518 N C -0.205 175.564 175.510 0.432 0.000 1.177 518 N CA -0.131 53.028 53.050 0.182 0.000 0.874 518 N CB 0.320 38.876 38.487 0.115 0.000 1.097 518 N HN 0.601 nan 8.380 nan 0.000 0.518 519 H N 1.101 120.297 119.070 0.209 0.000 2.638 519 H HA 0.278 4.835 4.556 0.002 0.000 0.317 519 H C -1.146 174.348 175.328 0.277 0.000 1.006 519 H CA -0.950 55.231 56.048 0.222 0.000 1.222 519 H CB 1.799 31.656 29.762 0.158 0.000 1.419 519 H HN 0.000 nan 8.280 nan 0.000 0.489 520 L N 5.135 126.645 121.223 0.478 0.000 2.305 520 L HA 0.479 4.820 4.340 0.002 0.000 0.284 520 L C -1.091 176.042 176.870 0.437 0.000 1.013 520 L CA -0.792 54.337 54.840 0.481 0.000 0.819 520 L CB 1.483 43.893 42.059 0.585 0.000 1.227 520 L HN 0.453 nan 8.230 nan 0.000 0.417 521 V N 6.718 126.866 119.914 0.389 0.000 2.612 521 V HA 0.702 4.823 4.120 0.002 0.000 0.301 521 V C -1.730 174.522 176.094 0.264 0.000 1.059 521 V CA -0.220 62.224 62.300 0.240 0.000 0.886 521 V CB 1.408 33.335 31.823 0.172 0.000 1.007 521 V HN 0.836 nan 8.190 nan 0.000 0.426 522 Y N 3.962 124.294 120.300 0.052 0.000 2.576 522 Y HA 0.976 5.527 4.550 0.002 0.000 0.346 522 Y C -0.329 175.509 175.900 -0.104 0.000 1.018 522 Y CA -0.929 57.095 58.100 -0.127 0.000 1.050 522 Y CB 1.827 40.005 38.460 -0.471 0.000 1.280 522 Y HN 0.919 nan 8.280 nan 0.000 0.474 523 A N 2.757 125.601 122.820 0.040 0.000 2.319 523 A HA 0.647 4.968 4.320 0.002 0.000 0.310 523 A C -1.106 176.469 177.584 -0.015 0.000 1.152 523 A CA -1.088 50.943 52.037 -0.010 0.000 0.783 523 A CB 0.765 19.762 19.000 -0.006 0.000 1.184 523 A HN 0.527 nan 8.150 nan 0.000 0.474 524 K N 2.362 122.752 120.400 -0.017 0.000 2.276 524 K HA 0.503 4.824 4.320 0.002 0.000 0.285 524 K C -0.191 176.392 176.600 -0.030 0.000 1.062 524 K CA 0.119 56.381 56.287 -0.042 0.000 0.918 524 K CB 0.973 33.453 32.500 -0.034 0.000 1.055 524 K HN 0.767 nan 8.250 nan 0.000 0.477 525 T N -0.162 114.370 114.554 -0.038 0.000 2.916 525 T HA 0.488 4.839 4.350 0.002 0.000 0.292 525 T C -0.868 173.824 174.700 -0.013 0.000 1.055 525 T CA -0.931 61.159 62.100 -0.016 0.000 1.009 525 T CB 1.960 70.817 68.868 -0.018 0.000 1.118 525 T HN 0.493 nan 8.240 nan 0.000 0.497 526 D N -0.370 120.032 120.400 0.005 0.000 2.491 526 D HA 0.455 5.096 4.640 0.002 0.000 0.232 526 D C 0.742 177.051 176.300 0.016 0.000 1.334 526 D CA 0.750 54.755 54.000 0.009 0.000 0.909 526 D CB -0.356 40.454 40.800 0.016 0.000 1.513 526 D HN 0.996 nan 8.370 nan 0.000 0.514 527 G N 3.132 111.937 108.800 0.008 0.000 2.536 527 G HA2 -0.421 3.540 3.960 0.002 0.000 0.280 527 G HA3 -0.421 3.540 3.960 0.002 0.000 0.280 527 G C 0.887 175.796 174.900 0.015 0.000 1.152 527 G CA 0.268 45.374 45.100 0.010 0.000 0.970 527 G HN 0.539 nan 8.290 nan 0.000 0.549 528 N N 1.175 119.888 118.700 0.022 0.000 2.409 528 N HA 0.012 4.753 4.740 0.002 0.000 0.179 528 N C 0.957 176.492 175.510 0.042 0.000 1.032 528 N CA 0.674 53.741 53.050 0.028 0.000 0.898 528 N CB 0.098 38.604 38.487 0.031 0.000 0.971 528 N HN 0.584 nan 8.380 nan 0.000 0.441 529 E N 0.576 120.805 120.200 0.049 0.000 2.413 529 E HA 0.029 4.380 4.350 0.002 0.000 0.263 529 E C -1.210 175.428 176.600 0.063 0.000 1.015 529 E CA 0.583 57.029 56.400 0.077 0.000 0.916 529 E CB 0.661 30.415 29.700 0.089 0.000 0.947 529 E HN -0.020 nan 8.360 nan 0.000 0.440 530 T N 2.773 117.372 114.554 0.075 0.000 3.172 530 T HA 0.362 4.713 4.350 0.002 0.000 0.320 530 T C -1.315 173.397 174.700 0.020 0.000 1.085 530 T CA -0.698 61.424 62.100 0.037 0.000 1.052 530 T CB 1.301 70.185 68.868 0.027 0.000 1.107 530 T HN 0.193 nan 8.240 nan 0.000 0.458 531 V N 3.888 123.790 119.914 -0.020 0.000 2.385 531 V HA 0.408 4.529 4.120 0.002 0.000 0.277 531 V C -0.197 175.848 176.094 -0.082 0.000 1.012 531 V CA -0.674 61.573 62.300 -0.088 0.000 0.832 531 V CB 1.296 33.027 31.823 -0.154 0.000 1.028 531 V HN 0.883 nan 8.190 nan 0.000 0.436 532 M N 4.680 124.254 119.600 -0.044 0.000 2.241 532 M HA 0.527 5.008 4.480 0.002 0.000 0.335 532 M C -0.799 175.420 176.300 -0.136 0.000 1.122 532 M CA 0.465 55.732 55.300 -0.055 0.000 1.164 532 M CB 0.832 33.461 32.600 0.048 0.000 1.459 532 M HN 0.479 nan 8.290 nan 0.000 0.461 533 I N 4.776 125.176 120.570 -0.284 0.000 2.517 533 I HA 0.338 4.509 4.170 0.002 0.000 0.280 533 I C -0.952 175.024 176.117 -0.234 0.000 1.061 533 I CA -0.035 61.047 61.300 -0.363 0.000 1.091 533 I CB 0.840 38.368 38.000 -0.786 0.000 1.205 533 I HN 0.476 nan 8.210 nan 0.000 0.459 534 I N 6.204 126.761 120.570 -0.023 0.000 2.499 534 I HA 0.510 4.681 4.170 0.002 0.000 0.296 534 I C -0.026 176.193 176.117 0.170 0.000 0.992 534 I CA -0.515 60.836 61.300 0.085 0.000 1.297 534 I CB 1.311 39.377 38.000 0.110 0.000 1.410 534 I HN 0.407 nan 8.210 nan 0.000 0.507 535 I N 3.844 124.555 120.570 0.236 0.000 2.680 535 I HA 0.150 4.321 4.170 0.002 0.000 0.291 535 I C -0.820 175.472 176.117 0.292 0.000 1.244 535 I CA -0.567 60.933 61.300 0.333 0.000 1.042 535 I CB 2.546 40.843 38.000 0.496 0.000 1.277 535 I HN 0.493 nan 8.210 nan 0.000 0.423 536 N N 5.504 124.346 118.700 0.237 0.000 2.707 536 N HA 0.186 4.927 4.740 0.002 0.000 0.235 536 N C -0.388 175.219 175.510 0.162 0.000 1.028 536 N CA -0.499 52.637 53.050 0.142 0.000 0.906 536 N CB 0.862 39.352 38.487 0.005 0.000 1.131 536 N HN 0.399 nan 8.380 nan 0.000 0.509 537 R N 2.636 123.273 120.500 0.228 0.000 3.710 537 R HA 0.195 4.536 4.340 0.002 0.000 0.201 537 R C -0.886 175.385 176.300 -0.049 0.000 1.641 537 R CA 0.201 56.393 56.100 0.154 0.000 1.390 537 R CB -1.035 29.226 30.300 -0.065 0.000 1.341 537 R HN 0.550 nan 8.270 nan 0.000 0.728 538 S N 0.340 115.820 115.700 -0.367 0.000 2.705 538 S HA 0.293 4.764 4.470 0.002 0.000 0.280 538 S C -0.110 173.850 174.600 -1.066 0.000 1.174 538 S CA -0.829 57.093 58.200 -0.462 0.000 0.823 538 S CB 1.195 64.297 63.200 -0.165 0.000 1.162 538 S HN 0.727 nan 8.310 nan 0.000 0.487 539 N N 0.346 118.700 118.700 -0.576 0.000 2.416 539 N HA 0.353 5.094 4.740 0.002 0.000 0.267 539 N C -1.042 174.363 175.510 -0.175 0.000 1.294 539 N CA -0.463 52.337 53.050 -0.416 0.000 0.891 539 N CB 0.494 38.938 38.487 -0.072 0.000 1.238 539 N HN 0.392 nan 8.380 nan 0.000 0.508 540 E N 0.528 120.625 120.200 -0.171 0.000 2.321 540 E HA 0.387 4.738 4.350 0.002 0.000 0.281 540 E C -1.035 175.524 176.600 -0.068 0.000 0.910 540 E CA -0.994 55.357 56.400 -0.080 0.000 0.770 540 E CB 2.013 31.685 29.700 -0.046 0.000 1.225 540 E HN 0.327 nan 8.360 nan 0.000 0.417 541 A N 2.059 124.851 122.820 -0.047 0.000 2.616 541 A HA 0.365 4.686 4.320 0.002 0.000 0.234 541 A C -0.006 177.563 177.584 -0.026 0.000 1.024 541 A CA 1.094 53.108 52.037 -0.039 0.000 0.758 541 A CB 0.020 19.003 19.000 -0.027 0.000 0.939 541 A HN 0.617 nan 8.150 nan 0.000 0.510 542 A N 1.733 124.529 122.820 -0.039 0.000 2.527 542 A HA 0.742 5.063 4.320 0.002 0.000 0.293 542 A C -0.314 177.231 177.584 -0.066 0.000 1.117 542 A CA -0.512 51.501 52.037 -0.039 0.000 0.723 542 A CB 1.181 20.135 19.000 -0.077 0.000 1.313 542 A HN 0.810 nan 8.150 nan 0.000 0.411 543 E N 1.252 121.424 120.200 -0.048 0.000 2.546 543 E HA 0.393 4.744 4.350 0.002 0.000 0.227 543 E C -1.308 175.263 176.600 -0.047 0.000 1.009 543 E CA -0.129 56.254 56.400 -0.027 0.000 0.813 543 E CB 0.431 30.144 29.700 0.021 0.000 1.269 543 E HN 0.536 nan 8.360 nan 0.000 0.432 544 I N 5.186 125.678 120.570 -0.130 0.000 2.352 544 I HA 0.214 4.385 4.170 0.002 0.000 0.290 544 I C -1.968 174.168 176.117 0.033 0.000 1.036 544 I CA -1.917 59.325 61.300 -0.096 0.000 1.336 544 I CB 0.757 38.649 38.000 -0.180 0.000 1.407 544 I HN 0.212 nan 8.210 nan 0.000 0.497 545 P HA 0.215 nan 4.420 nan 0.000 0.277 545 P C -0.987 176.368 177.300 0.091 0.000 1.240 545 P CA -0.556 62.593 63.100 0.082 0.000 0.798 545 P CB 1.462 33.212 31.700 0.084 0.000 0.979 546 M N 2.768 122.418 119.600 0.083 0.000 2.238 546 M HA 0.399 4.880 4.480 0.002 0.000 0.278 546 M C -3.076 173.258 176.300 0.056 0.000 1.040 546 M CA -2.370 52.979 55.300 0.082 0.000 0.969 546 M CB 2.775 35.438 32.600 0.106 0.000 1.694 546 M HN 0.025 nan 8.290 nan 0.000 0.472 547 P HA 0.426 nan 4.420 nan 0.000 0.281 547 P C -0.569 176.741 177.300 0.016 0.000 1.252 547 P CA -0.175 62.945 63.100 0.033 0.000 0.778 547 P CB 0.654 32.376 31.700 0.037 0.000 0.895 548 I N 1.176 121.749 120.570 0.004 0.000 2.460 548 I HA 0.432 4.604 4.170 0.002 0.000 0.298 548 I C 0.152 176.264 176.117 -0.008 0.000 0.989 548 I CA -1.182 60.110 61.300 -0.013 0.000 1.173 548 I CB 0.755 38.739 38.000 -0.027 0.000 1.338 548 I HN 0.314 nan 8.210 nan 0.000 0.456 549 D N 3.909 124.303 120.400 -0.011 0.000 2.304 549 D HA 0.592 5.233 4.640 0.002 0.000 0.250 549 D C 1.282 177.572 176.300 -0.018 0.000 1.107 549 D CA 0.711 54.705 54.000 -0.011 0.000 0.885 549 D CB 1.894 42.689 40.800 -0.009 0.000 1.192 549 D HN 0.817 nan 8.370 nan 0.000 0.436 550 A N 4.322 127.128 122.820 -0.024 0.000 1.978 550 A HA -0.202 4.119 4.320 0.002 0.000 0.220 550 A C 1.991 179.540 177.584 -0.058 0.000 1.170 550 A CA 1.266 53.279 52.037 -0.040 0.000 0.636 550 A CB -0.335 18.637 19.000 -0.047 0.000 0.810 550 A HN 0.715 nan 8.150 nan 0.000 0.448 551 R N -0.267 120.203 120.500 -0.051 0.000 2.285 551 R HA -0.003 4.338 4.340 0.002 0.000 0.213 551 R C 1.182 177.471 176.300 -0.018 0.000 1.068 551 R CA 0.256 56.321 56.100 -0.058 0.000 1.004 551 R CB -0.364 29.912 30.300 -0.041 0.000 0.873 551 R HN 0.466 nan 8.270 nan 0.000 0.467 552 G N 1.080 109.876 108.800 -0.005 0.000 2.398 552 G HA2 0.001 3.962 3.960 0.002 0.000 0.246 552 G HA3 0.001 3.962 3.960 0.002 0.000 0.246 552 G C 0.355 175.278 174.900 0.039 0.000 1.289 552 G CA -0.311 44.797 45.100 0.013 0.000 0.869 552 G HN 0.147 nan 8.290 nan 0.000 0.543 553 K N 1.618 122.026 120.400 0.014 0.000 2.161 553 K HA 0.178 4.499 4.320 0.002 0.000 0.205 553 K C 0.311 176.611 176.600 -0.499 0.000 1.035 553 K CA 0.011 56.198 56.287 -0.166 0.000 0.970 553 K CB 0.246 32.495 32.500 -0.417 0.000 0.866 553 K HN 0.606 nan 8.250 nan 0.000 0.461 554 W N -0.293 120.982 121.300 -0.042 0.000 2.767 554 W HA 0.532 5.193 4.660 0.002 0.000 0.375 554 W C -0.907 175.489 176.519 -0.206 0.000 1.461 554 W CA -1.216 56.054 57.345 -0.125 0.000 1.415 554 W CB 0.919 30.309 29.460 -0.116 0.000 1.581 554 W HN -0.146 nan 8.180 nan 0.000 0.672 555 L N 2.311 123.509 121.223 -0.042 0.000 2.439 555 L HA 0.232 4.573 4.340 0.002 0.000 0.264 555 L C -0.670 175.942 176.870 -0.429 0.000 1.531 555 L CA -0.328 54.263 54.840 -0.414 0.000 0.727 555 L CB 0.326 41.831 42.059 -0.923 0.000 0.952 555 L HN 0.186 nan 8.230 nan 0.000 0.521 556 V N 1.402 121.270 119.914 -0.076 0.000 2.529 556 V HA 0.236 4.357 4.120 0.002 0.000 0.292 556 V C 0.493 176.686 176.094 0.165 0.000 1.028 556 V CA 0.114 62.427 62.300 0.022 0.000 1.074 556 V CB 0.866 32.710 31.823 0.035 0.000 0.958 556 V HN 0.815 nan 8.190 nan 0.000 0.481 557 N N 4.954 123.800 118.700 0.244 0.000 2.520 557 N HA 0.358 5.099 4.740 0.002 0.000 0.273 557 N C -0.343 175.173 175.510 0.011 0.000 1.155 557 N CA -0.867 52.269 53.050 0.144 0.000 0.967 557 N CB 0.685 39.314 38.487 0.235 0.000 1.092 557 N HN 0.687 nan 8.380 nan 0.000 0.457 558 L N 3.434 124.604 121.223 -0.088 0.000 2.543 558 L HA 0.234 4.575 4.340 0.002 0.000 0.231 558 L C 1.020 177.873 176.870 -0.028 0.000 1.194 558 L CA -0.052 54.756 54.840 -0.053 0.000 0.823 558 L CB 0.071 42.064 42.059 -0.109 0.000 1.374 558 L HN 0.757 nan 8.230 nan 0.000 0.507 559 L N -2.172 119.056 121.223 0.008 0.000 4.769 559 L HA -0.320 4.021 4.340 0.002 0.000 0.446 559 L C 0.773 177.646 176.870 0.005 0.000 1.100 559 L CA 2.189 57.044 54.840 0.024 0.000 0.941 559 L CB -2.887 39.205 42.059 0.055 0.000 1.821 559 L HN 0.888 nan 8.230 nan 0.000 0.948 560 T N -5.268 109.286 114.554 0.000 0.000 3.168 560 T HA 0.559 4.910 4.350 0.002 0.000 0.261 560 T C 1.633 176.343 174.700 0.018 0.000 0.931 560 T CA 1.467 63.568 62.100 0.002 0.000 0.949 560 T CB 0.559 69.423 68.868 -0.006 0.000 1.229 560 T HN 1.853 nan 8.240 nan 0.000 0.504 561 G N 1.649 110.468 108.800 0.032 0.000 2.234 561 G HA2 -0.233 3.728 3.960 0.002 0.000 0.235 561 G HA3 -0.233 3.728 3.960 0.002 0.000 0.235 561 G C -0.028 174.908 174.900 0.059 0.000 0.997 561 G CA 0.397 45.517 45.100 0.034 0.000 0.623 561 G HN 0.880 nan 8.290 nan 0.000 0.514 562 E N 1.588 121.849 120.200 0.103 0.000 2.734 562 E HA 0.063 4.414 4.350 0.002 0.000 0.235 562 E C 0.511 177.286 176.600 0.291 0.000 1.107 562 E CA -0.037 56.468 56.400 0.176 0.000 0.951 562 E CB 0.045 29.865 29.700 0.201 0.000 0.955 562 E HN 0.482 nan 8.360 nan 0.000 0.515 563 R N 5.892 126.491 120.500 0.165 0.000 2.246 563 R HA 0.214 4.555 4.340 0.002 0.000 0.332 563 R C -0.997 175.397 176.300 0.157 0.000 0.974 563 R CA -0.390 55.750 56.100 0.066 0.000 0.837 563 R CB 0.166 30.370 30.300 -0.159 0.000 1.145 563 R HN 0.324 nan 8.270 nan 0.000 0.467 564 F N 1.893 121.883 119.950 0.067 0.000 2.732 564 F HA 0.874 5.402 4.527 0.002 0.000 0.394 564 F C -0.593 175.389 175.800 0.304 0.000 1.194 564 F CA -1.658 56.418 58.000 0.127 0.000 1.127 564 F CB 0.170 39.212 39.000 0.070 0.000 1.470 564 F HN 0.407 nan 8.300 nan 0.000 0.505 565 A N -0.346 122.738 122.820 0.439 0.000 2.355 565 A HA 0.787 5.108 4.320 0.002 0.000 0.324 565 A C 0.600 178.279 177.584 0.159 0.000 1.117 565 A CA -0.348 51.847 52.037 0.265 0.000 0.785 565 A CB 0.874 20.013 19.000 0.232 0.000 1.254 565 A HN 1.273 nan 8.150 nan 0.000 0.453 566 A N 1.275 124.123 122.820 0.046 0.000 1.873 566 A HA 0.005 4.326 4.320 0.002 0.000 0.211 566 A C 1.330 178.955 177.584 0.068 0.000 1.218 566 A CA 2.249 54.304 52.037 0.030 0.000 0.659 566 A CB -0.953 18.046 19.000 -0.003 0.000 0.853 566 A HN 1.991 nan 8.150 nan 0.000 0.466 567 E N -2.059 118.172 120.200 0.052 0.000 2.971 567 E HA -0.170 4.181 4.350 0.002 0.000 0.271 567 E C -0.002 176.621 176.600 0.039 0.000 1.053 567 E CA 0.690 57.120 56.400 0.049 0.000 0.817 567 E CB -2.272 27.471 29.700 0.071 0.000 1.410 567 E HN 1.688 nan 8.360 nan 0.000 0.445 568 A N -0.178 122.662 122.820 0.033 0.000 2.569 568 A HA 0.564 4.885 4.320 0.002 0.000 0.290 568 A C 0.295 177.890 177.584 0.018 0.000 1.136 568 A CA -0.015 52.039 52.037 0.028 0.000 0.710 568 A CB 1.647 20.671 19.000 0.040 0.000 1.303 568 A HN 0.162 nan 8.150 nan 0.000 0.413 569 E N -0.731 119.481 120.200 0.019 0.000 2.340 569 E HA 0.194 4.545 4.350 0.002 0.000 0.194 569 E C 0.095 176.708 176.600 0.022 0.000 0.996 569 E CA 1.424 57.833 56.400 0.016 0.000 0.869 569 E CB 0.367 30.076 29.700 0.016 0.000 0.835 569 E HN 0.763 nan 8.360 nan 0.000 0.493 570 T N -0.773 113.798 114.554 0.027 0.000 2.853 570 T HA 0.472 4.823 4.350 0.002 0.000 0.311 570 T C -1.301 173.422 174.700 0.039 0.000 1.307 570 T CA -0.814 61.306 62.100 0.034 0.000 1.019 570 T CB 1.665 70.557 68.868 0.039 0.000 1.264 570 T HN 0.083 nan 8.240 nan 0.000 0.497 571 L N 0.870 122.121 121.223 0.046 0.000 2.485 571 L HA 0.540 4.881 4.340 0.002 0.000 0.260 571 L C -0.757 176.150 176.870 0.061 0.000 0.998 571 L CA -0.480 54.392 54.840 0.054 0.000 0.883 571 L CB 0.418 42.513 42.059 0.060 0.000 1.196 571 L HN 0.954 nan 8.230 nan 0.000 0.443 572 C N 4.422 123.751 119.300 0.049 0.000 2.738 572 C HA 0.117 4.578 4.460 0.002 0.000 0.390 572 C C 0.909 175.927 174.990 0.048 0.000 1.311 572 C CA -0.468 58.578 59.018 0.047 0.000 1.385 572 C CB -1.608 26.153 27.740 0.035 0.000 2.175 572 C HN 0.488 nan 8.230 nan 0.000 0.607 573 V N 5.454 125.410 119.914 0.069 0.000 2.479 573 V HA 0.108 4.229 4.120 0.002 0.000 0.281 573 V C 0.602 176.713 176.094 0.029 0.000 1.031 573 V CA 0.631 62.982 62.300 0.085 0.000 1.038 573 V CB 0.822 32.730 31.823 0.141 0.000 0.981 573 V HN 0.887 nan 8.190 nan 0.000 0.478 574 S N 7.027 122.737 115.700 0.017 0.000 2.438 574 S HA 0.759 5.230 4.470 0.002 0.000 0.293 574 S C -0.539 174.048 174.600 -0.022 0.000 1.141 574 S CA -0.568 57.626 58.200 -0.012 0.000 1.080 574 S CB 0.908 64.099 63.200 -0.015 0.000 0.978 574 S HN 0.431 nan 8.310 nan 0.000 0.479 575 L N 4.200 125.400 121.223 -0.039 0.000 2.354 575 L HA 0.669 5.010 4.340 0.002 0.000 0.264 575 L C -2.292 174.548 176.870 -0.049 0.000 1.008 575 L CA -2.117 52.695 54.840 -0.046 0.000 0.819 575 L CB 0.890 42.930 42.059 -0.033 0.000 1.339 575 L HN 0.333 nan 8.230 nan 0.000 0.420 576 P HA 0.294 nan 4.420 nan 0.000 0.277 576 P C -2.390 174.884 177.300 -0.044 0.000 1.276 576 P CA -1.257 61.816 63.100 -0.045 0.000 0.788 576 P CB 0.165 31.836 31.700 -0.049 0.000 1.114 577 P HA -0.221 nan 4.420 nan 0.000 0.229 577 P C 0.719 177.908 177.300 -0.184 0.000 0.791 577 P CA 2.009 65.044 63.100 -0.109 0.000 1.091 577 P CB -0.586 31.111 31.700 -0.004 0.000 0.715 578 Y N -0.840 119.488 120.300 0.046 0.000 2.811 578 Y HA 0.380 4.931 4.550 0.002 0.000 0.330 578 Y C 1.699 177.684 175.900 0.142 0.000 1.081 578 Y CA -0.359 57.794 58.100 0.089 0.000 1.408 578 Y CB -0.626 37.880 38.460 0.077 0.000 1.235 578 Y HN -0.033 nan 8.280 nan 0.000 0.529 579 G N 0.490 109.382 108.800 0.153 0.000 2.683 579 G HA2 0.360 4.321 3.960 0.002 0.000 0.260 579 G HA3 0.360 4.321 3.960 0.002 0.000 0.260 579 G C -0.707 174.332 174.900 0.233 0.000 1.238 579 G CA 0.032 45.172 45.100 0.065 0.000 0.934 579 G HN 0.335 nan 8.290 nan 0.000 0.534 580 F N -3.242 116.722 119.950 0.023 0.000 2.900 580 F HA 0.669 5.197 4.527 0.002 0.000 0.321 580 F C -1.111 174.670 175.800 -0.031 0.000 1.160 580 F CA -1.118 56.896 58.000 0.024 0.000 0.890 580 F CB 1.306 40.341 39.000 0.058 0.000 1.334 580 F HN 1.031 nan 8.300 nan 0.000 0.459 581 V N 1.147 121.187 119.914 0.211 0.000 3.177 581 V HA 0.750 4.871 4.120 0.002 0.000 0.287 581 V C -2.344 173.686 176.094 -0.107 0.000 1.465 581 V CA -0.796 61.477 62.300 -0.045 0.000 1.020 581 V CB 2.032 33.707 31.823 -0.246 0.000 1.152 581 V HN 1.014 nan 8.190 nan 0.000 0.448 582 L N 5.165 126.243 121.223 -0.241 0.000 2.342 582 L HA 0.802 5.143 4.340 0.002 0.000 0.271 582 L C -1.261 175.338 176.870 -0.452 0.000 1.008 582 L CA -0.313 54.376 54.840 -0.253 0.000 0.818 582 L CB 1.979 43.948 42.059 -0.150 0.000 1.296 582 L HN 0.717 nan 8.230 nan 0.000 0.427 583 Y N 0.481 120.724 120.300 -0.095 0.000 2.492 583 Y HA 0.712 5.263 4.550 0.002 0.000 0.346 583 Y C -0.257 175.546 175.900 -0.163 0.000 0.997 583 Y CA -1.341 56.693 58.100 -0.110 0.000 1.025 583 Y CB 2.398 40.813 38.460 -0.075 0.000 1.263 583 Y HN 0.520 nan 8.280 nan 0.000 0.454 584 A N 3.008 125.848 122.820 0.034 0.000 2.664 584 A HA 0.619 4.940 4.320 0.002 0.000 0.338 584 A C -0.984 176.634 177.584 0.058 0.000 1.280 584 A CA -0.624 51.396 52.037 -0.028 0.000 0.809 584 A CB -0.518 18.407 19.000 -0.124 0.000 1.114 584 A HN 0.510 nan 8.150 nan 0.000 0.479 585 V N 1.761 121.697 119.914 0.037 0.000 2.814 585 V HA -0.001 4.120 4.120 0.002 0.000 0.307 585 V C 1.026 177.164 176.094 0.074 0.000 1.089 585 V CA 0.485 62.800 62.300 0.025 0.000 1.212 585 V CB 0.087 31.912 31.823 0.004 0.000 0.912 585 V HN 0.932 nan 8.190 nan 0.000 0.497 586 E N 2.076 122.328 120.200 0.086 0.000 4.138 586 E HA 0.598 4.949 4.350 0.002 0.000 0.369 586 E C -0.273 176.371 176.600 0.073 0.000 0.995 586 E CA 0.181 56.647 56.400 0.110 0.000 2.264 586 E CB 0.818 30.610 29.700 0.155 0.000 1.876 586 E HN 0.910 nan 8.360 nan 0.000 0.697 587 S N -0.768 114.979 115.700 0.078 0.000 2.392 587 S HA 0.472 4.943 4.470 0.002 0.000 0.246 587 S C -1.454 173.255 174.600 0.183 0.000 0.999 587 S CA -0.973 57.282 58.200 0.091 0.000 1.059 587 S CB -0.092 63.150 63.200 0.069 0.000 1.194 587 S HN 0.641 nan 8.310 nan 0.000 0.421 588 W N 0.000 121.222 121.300 -0.130 0.000 2.388 588 W HA 0.000 4.661 4.660 0.002 0.000 0.303 588 W CA 0.000 57.261 57.345 -0.140 0.000 1.226 588 W CB 0.000 29.354 29.460 -0.177 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535