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 2op9_1_B DATA FIRST_RESID 1 DATA SEQUENCE SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTXEDML DATA SEQUENCE NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK DATA SEQUENCE YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSCGSVGF DATA SEQUENCE NIDYXCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTTI DATA SEQUENCE TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE PLTQDHVDIL DATA SEQUENCE GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC DATA SEQUENCE S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.638 174.600 0.064 0.000 1.055 1 S CA 0.000 58.221 58.200 0.035 0.000 1.107 1 S CB 0.000 63.213 63.200 0.022 0.000 0.593 2 G N 3.423 112.285 108.800 0.103 0.000 2.445 2 G HA2 0.083 4.042 3.960 -0.001 0.000 0.233 2 G HA3 0.083 4.042 3.960 -0.001 0.000 0.233 2 G C -1.123 173.882 174.900 0.176 0.000 1.308 2 G CA -0.754 44.413 45.100 0.112 0.000 1.179 2 G HN 0.751 nan 8.290 nan 0.000 0.637 3 F N 2.522 122.479 119.950 0.011 0.000 2.469 3 F HA 0.838 5.365 4.527 -0.001 0.000 0.332 3 F C 0.339 176.186 175.800 0.078 0.000 1.103 3 F CA -0.932 57.073 58.000 0.009 0.000 0.979 3 F CB 1.411 40.376 39.000 -0.059 0.000 1.137 3 F HN 0.232 nan 8.300 nan 0.000 0.463 4 R N 4.005 124.385 120.500 -0.199 0.000 2.628 4 R HA 0.236 4.576 4.340 -0.001 0.000 0.288 4 R C -0.964 175.311 176.300 -0.042 0.000 0.980 4 R CA -1.187 54.889 56.100 -0.040 0.000 0.891 4 R CB 2.341 32.612 30.300 -0.049 0.000 1.188 4 R HN 0.644 nan 8.270 nan 0.000 0.450 5 K N 3.249 123.808 120.400 0.265 0.000 2.447 5 K HA 0.098 4.417 4.320 -0.001 0.000 0.281 5 K C -0.353 176.177 176.600 -0.115 0.000 1.031 5 K CA 0.711 57.007 56.287 0.016 0.000 1.019 5 K CB 0.499 32.854 32.500 -0.242 0.000 0.918 5 K HN 0.431 nan 8.250 nan 0.000 0.476 6 M N 2.822 122.313 119.600 -0.181 0.000 2.602 6 M HA 0.404 4.883 4.480 -0.001 0.000 0.312 6 M C -0.523 175.614 176.300 -0.272 0.000 1.181 6 M CA -0.929 54.255 55.300 -0.194 0.000 0.910 6 M CB 2.212 34.694 32.600 -0.197 0.000 1.723 6 M HN 0.659 nan 8.290 nan 0.000 0.459 7 A N 1.378 124.070 122.820 -0.214 0.000 2.279 7 A HA 0.776 5.096 4.320 -0.001 0.000 0.303 7 A C -0.852 176.592 177.584 -0.233 0.000 1.108 7 A CA -0.474 51.425 52.037 -0.229 0.000 0.830 7 A CB 0.366 19.298 19.000 -0.113 0.000 1.106 7 A HN 0.649 nan 8.150 nan 0.000 0.493 8 F N 0.795 120.693 119.950 -0.087 0.000 2.506 8 F HA 0.319 4.846 4.527 -0.000 0.000 0.351 8 F C -1.604 174.263 175.800 0.111 0.000 1.136 8 F CA -1.189 56.824 58.000 0.022 0.000 1.298 8 F CB 0.015 39.057 39.000 0.070 0.000 1.145 8 F HN 0.297 nan 8.300 nan 0.000 0.593 9 P HA 0.030 nan 4.420 nan 0.000 0.265 9 P C 0.073 177.534 177.300 0.267 0.000 1.193 9 P CA 0.119 63.348 63.100 0.215 0.000 0.765 9 P CB 0.607 32.400 31.700 0.156 0.000 0.823 10 S N 0.958 116.784 115.700 0.211 0.000 2.556 10 S HA 0.077 4.547 4.470 -0.001 0.000 0.216 10 S C 2.018 176.631 174.600 0.021 0.000 0.970 10 S CA 0.347 58.658 58.200 0.186 0.000 0.912 10 S CB -0.742 62.590 63.200 0.219 0.000 0.790 10 S HN 0.483 nan 8.310 nan 0.000 0.504 11 G N 2.633 111.455 108.800 0.036 0.000 2.469 11 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.219 11 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.219 11 G C 1.476 176.356 174.900 -0.035 0.000 1.150 11 G CA 0.829 45.934 45.100 0.008 0.000 0.763 11 G HN 0.558 nan 8.290 nan 0.000 0.561 12 K N -0.312 120.048 120.400 -0.066 0.000 2.147 12 K HA 0.026 4.346 4.320 -0.001 0.000 0.205 12 K C 2.478 179.002 176.600 -0.126 0.000 1.049 12 K CA 0.884 57.116 56.287 -0.092 0.000 0.936 12 K CB -0.031 32.406 32.500 -0.105 0.000 0.722 12 K HN 0.280 nan 8.250 nan 0.000 0.446 13 V N 1.080 120.857 119.914 -0.229 0.000 2.599 13 V HA -0.124 3.995 4.120 -0.001 0.000 0.245 13 V C 1.746 177.790 176.094 -0.083 0.000 1.046 13 V CA 1.314 63.483 62.300 -0.218 0.000 1.065 13 V CB -0.247 31.210 31.823 -0.610 0.000 0.703 13 V HN 0.262 nan 8.190 nan 0.000 0.464 14 E N 0.969 121.134 120.200 -0.058 0.000 2.130 14 E HA -0.197 4.153 4.350 -0.001 0.000 0.196 14 E C 2.211 178.820 176.600 0.014 0.000 0.998 14 E CA 1.360 57.761 56.400 0.001 0.000 0.806 14 E CB -0.445 29.267 29.700 0.020 0.000 0.738 14 E HN 0.633 nan 8.360 nan 0.000 0.459 15 G N -0.201 108.596 108.800 -0.006 0.000 2.625 15 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.214 15 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.214 15 G C 1.197 176.094 174.900 -0.005 0.000 1.132 15 G CA 0.563 45.659 45.100 -0.006 0.000 0.782 15 G HN 0.295 nan 8.290 nan 0.000 0.538 16 C N 0.413 119.717 119.300 0.007 0.000 3.183 16 C HA 0.447 4.907 4.460 -0.001 0.000 0.285 16 C C 0.561 175.611 174.990 0.101 0.000 1.313 16 C CA -0.816 58.216 59.018 0.023 0.000 1.711 16 C CB -0.609 27.105 27.740 -0.043 0.000 2.135 16 C HN 0.241 nan 8.230 nan 0.000 0.651 17 M N 2.382 122.032 119.600 0.083 0.000 2.180 17 M HA 0.481 4.961 4.480 -0.001 0.000 0.358 17 M C -0.093 176.262 176.300 0.092 0.000 1.233 17 M CA 0.253 55.593 55.300 0.066 0.000 1.114 17 M CB 0.530 33.154 32.600 0.040 0.000 1.594 17 M HN 0.194 nan 8.290 nan 0.000 0.467 18 V N 1.197 121.141 119.914 0.050 0.000 3.160 18 V HA 0.655 4.775 4.120 -0.001 0.000 0.310 18 V C -0.957 175.118 176.094 -0.030 0.000 1.181 18 V CA -1.049 61.254 62.300 0.005 0.000 1.047 18 V CB 2.112 33.896 31.823 -0.065 0.000 1.068 18 V HN 0.866 nan 8.190 nan 0.000 0.441 19 Q N 0.576 120.349 119.800 -0.045 0.000 2.293 19 Q HA 0.743 5.083 4.340 -0.001 0.000 0.261 19 Q C -1.696 174.267 176.000 -0.061 0.000 0.960 19 Q CA -0.631 55.147 55.803 -0.041 0.000 0.882 19 Q CB 2.058 30.783 28.738 -0.020 0.000 1.275 19 Q HN 0.800 nan 8.270 nan 0.000 0.445 20 V N 3.337 123.219 119.914 -0.054 0.000 2.444 20 V HA 0.477 4.597 4.120 -0.001 0.000 0.294 20 V C -0.606 175.478 176.094 -0.017 0.000 1.022 20 V CA -0.582 61.693 62.300 -0.042 0.000 0.850 20 V CB 1.927 33.715 31.823 -0.059 0.000 0.992 20 V HN 0.840 nan 8.190 nan 0.000 0.426 21 T N 3.527 118.078 114.554 -0.005 0.000 2.841 21 T HA 0.422 4.772 4.350 -0.001 0.000 0.285 21 T C -0.890 173.788 174.700 -0.037 0.000 0.991 21 T CA -0.356 61.731 62.100 -0.020 0.000 0.966 21 T CB 1.343 70.191 68.868 -0.034 0.000 0.962 21 T HN 0.798 nan 8.240 nan 0.000 0.438 22 C N 3.906 123.167 119.300 -0.065 0.000 2.478 22 C HA 0.751 5.211 4.460 -0.001 0.000 0.334 22 C C 1.263 176.174 174.990 -0.132 0.000 1.106 22 C CA 0.853 59.774 59.018 -0.161 0.000 1.363 22 C CB -1.097 26.522 27.740 -0.201 0.000 1.941 22 C HN 1.283 nan 8.230 nan 0.000 0.436 23 G N 5.362 114.073 108.800 -0.148 0.000 2.565 23 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.295 23 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.295 23 G C 0.946 175.805 174.900 -0.069 0.000 1.165 23 G CA 1.266 46.302 45.100 -0.107 0.000 0.977 23 G HN 1.843 nan 8.290 nan 0.000 0.546 24 T N -1.906 112.620 114.554 -0.046 0.000 3.069 24 T HA 0.470 4.819 4.350 -0.001 0.000 0.252 24 T C 0.797 175.491 174.700 -0.010 0.000 1.053 24 T CA 1.391 63.475 62.100 -0.025 0.000 0.964 24 T CB 0.174 69.031 68.868 -0.017 0.000 1.005 24 T HN 0.766 nan 8.240 nan 0.000 0.532 25 T N 3.541 118.088 114.554 -0.011 0.000 2.744 25 T HA 0.525 4.875 4.350 -0.001 0.000 0.291 25 T C 0.034 174.734 174.700 0.001 0.000 0.957 25 T CA -0.467 61.639 62.100 0.010 0.000 1.002 25 T CB 1.181 70.063 68.868 0.024 0.000 0.919 25 T HN 0.549 nan 8.240 nan 0.000 0.468 26 T N 2.275 116.835 114.554 0.011 0.000 2.829 26 T HA 0.787 5.136 4.350 -0.001 0.000 0.280 26 T C -0.614 174.089 174.700 0.004 0.000 0.999 26 T CA -0.882 61.220 62.100 0.004 0.000 0.983 26 T CB 0.847 69.721 68.868 0.009 0.000 0.968 26 T HN 0.369 nan 8.240 nan 0.000 0.446 27 L N 0.354 121.561 121.223 -0.026 0.000 2.485 27 L HA 0.741 5.080 4.340 -0.001 0.000 0.245 27 L C -0.816 176.013 176.870 -0.068 0.000 1.137 27 L CA -1.259 53.551 54.840 -0.051 0.000 0.954 27 L CB 0.279 42.275 42.059 -0.104 0.000 1.560 27 L HN 0.588 nan 8.230 nan 0.000 0.403 28 N N -0.417 118.224 118.700 -0.097 0.000 2.492 28 N HA 0.701 5.441 4.740 -0.001 0.000 0.289 28 N C -0.553 174.889 175.510 -0.112 0.000 1.133 28 N CA 0.051 53.047 53.050 -0.090 0.000 0.961 28 N CB 1.861 40.292 38.487 -0.093 0.000 1.186 28 N HN 0.997 nan 8.380 nan 0.000 0.493 29 G N -0.104 108.643 108.800 -0.087 0.000 2.569 29 G HA2 0.549 4.509 3.960 -0.001 0.000 0.300 29 G HA3 0.549 4.509 3.960 -0.001 0.000 0.300 29 G C -1.505 173.369 174.900 -0.043 0.000 1.269 29 G CA -0.410 44.638 45.100 -0.087 0.000 0.959 29 G HN 0.369 nan 8.290 nan 0.000 0.478 30 L N 0.858 122.064 121.223 -0.029 0.000 2.298 30 L HA 0.673 5.013 4.340 -0.001 0.000 0.284 30 L C -1.399 175.548 176.870 0.129 0.000 1.013 30 L CA -1.018 53.801 54.840 -0.034 0.000 0.824 30 L CB 1.180 43.098 42.059 -0.234 0.000 1.221 30 L HN 0.558 nan 8.230 nan 0.000 0.418 31 W N 8.019 129.263 121.300 -0.093 0.000 2.283 31 W HA 0.596 5.255 4.660 -0.001 0.000 0.317 31 W C -1.871 174.603 176.519 -0.076 0.000 1.042 31 W CA -1.360 55.946 57.345 -0.065 0.000 1.348 31 W CB 0.622 30.045 29.460 -0.061 0.000 1.216 31 W HN 0.370 nan 8.180 nan 0.000 0.404 32 L N 7.925 129.193 121.223 0.074 0.000 2.356 32 L HA 0.283 4.623 4.340 -0.001 0.000 0.277 32 L C 0.645 177.505 176.870 -0.018 0.000 0.996 32 L CA -0.816 53.939 54.840 -0.141 0.000 0.822 32 L CB 1.725 43.579 42.059 -0.341 0.000 1.256 32 L HN 0.419 nan 8.230 nan 0.000 0.413 33 D N 1.778 122.114 120.400 -0.108 0.000 3.417 33 D HA -0.285 4.354 4.640 -0.001 0.000 0.163 33 D C 0.349 176.693 176.300 0.074 0.000 1.070 33 D CA 2.146 56.129 54.000 -0.028 0.000 1.047 33 D CB -0.207 40.635 40.800 0.070 0.000 0.514 33 D HN 0.941 nan 8.370 nan 0.000 0.532 34 D N 0.404 120.885 120.400 0.136 0.000 2.427 34 D HA 0.134 4.773 4.640 -0.001 0.000 0.224 34 D C -0.302 176.081 176.300 0.139 0.000 1.157 34 D CA 0.081 54.202 54.000 0.201 0.000 0.828 34 D CB -0.081 40.789 40.800 0.116 0.000 0.974 34 D HN 0.084 nan 8.370 nan 0.000 0.498 35 T N -0.176 114.459 114.554 0.134 0.000 2.841 35 T HA 0.464 4.813 4.350 -0.001 0.000 0.283 35 T C -0.474 174.195 174.700 -0.051 0.000 1.000 35 T CA -0.612 61.441 62.100 -0.079 0.000 0.977 35 T CB 2.465 71.180 68.868 -0.256 0.000 0.979 35 T HN -0.140 nan 8.240 nan 0.000 0.446 36 V N 3.800 123.581 119.914 -0.222 0.000 2.417 36 V HA 0.422 4.541 4.120 -0.001 0.000 0.291 36 V C -1.160 174.722 176.094 -0.354 0.000 1.024 36 V CA -0.876 61.316 62.300 -0.179 0.000 0.861 36 V CB 0.703 32.402 31.823 -0.206 0.000 0.985 36 V HN 0.811 nan 8.190 nan 0.000 0.436 37 Y N 4.008 124.234 120.300 -0.123 0.000 2.330 37 Y HA 0.649 5.198 4.550 -0.000 0.000 0.336 37 Y C 0.514 176.287 175.900 -0.210 0.000 1.036 37 Y CA -0.511 57.487 58.100 -0.170 0.000 1.125 37 Y CB 1.621 39.957 38.460 -0.207 0.000 1.194 37 Y HN 0.866 nan 8.280 nan 0.000 0.469 38 C N 2.049 121.284 119.300 -0.110 0.000 3.288 38 C HA 0.701 5.161 4.460 -0.001 0.000 0.318 38 C C -3.059 171.777 174.990 -0.255 0.000 1.356 38 C CA -2.958 55.944 59.018 -0.193 0.000 1.359 38 C CB 1.840 29.464 27.740 -0.193 0.000 1.688 38 C HN 0.504 nan 8.230 nan 0.000 0.467 39 P HA 0.233 nan 4.420 nan 0.000 0.268 39 P C 0.692 177.781 177.300 -0.351 0.000 1.204 39 P CA 0.077 62.858 63.100 -0.532 0.000 0.768 39 P CB 0.454 31.535 31.700 -1.032 0.000 0.842 40 R N 4.211 124.599 120.500 -0.187 0.000 2.189 40 R HA -0.158 4.182 4.340 -0.001 0.000 0.223 40 R C 1.562 177.888 176.300 0.044 0.000 1.092 40 R CA 1.280 57.315 56.100 -0.108 0.000 0.989 40 R CB -0.940 29.229 30.300 -0.219 0.000 0.876 40 R HN 0.607 nan 8.270 nan 0.000 0.457 41 H N 0.188 119.318 119.070 0.100 0.000 2.562 41 H HA 0.041 4.597 4.556 -0.000 0.000 0.272 41 H C 1.530 176.932 175.328 0.123 0.000 1.019 41 H CA 0.638 56.827 56.048 0.234 0.000 1.160 41 H CB 0.024 29.933 29.762 0.245 0.000 1.334 41 H HN 0.151 nan 8.280 nan 0.000 0.611 42 V N 2.427 122.290 119.914 -0.084 0.000 2.594 42 V HA -0.208 3.912 4.120 -0.001 0.000 0.253 42 V C 2.298 178.432 176.094 0.066 0.000 1.069 42 V CA 1.627 63.916 62.300 -0.018 0.000 1.082 42 V CB -0.608 31.194 31.823 -0.036 0.000 0.680 42 V HN 0.665 nan 8.190 nan 0.000 0.469 43 I N -2.596 118.047 120.570 0.122 0.000 3.684 43 I HA 0.180 4.349 4.170 -0.001 0.000 0.304 43 I C 0.663 176.819 176.117 0.064 0.000 1.278 43 I CA -0.238 61.108 61.300 0.077 0.000 1.272 43 I CB -0.794 37.280 38.000 0.123 0.000 1.029 43 I HN 0.175 nan 8.210 nan 0.000 0.458 44 C N 2.039 121.407 119.300 0.113 0.000 2.365 44 C HA 0.578 5.038 4.460 -0.001 0.000 0.349 44 C C 1.293 176.313 174.990 0.050 0.000 1.191 44 C CA -0.208 58.855 59.018 0.074 0.000 2.114 44 C CB 1.477 29.292 27.740 0.125 0.000 2.367 44 C HN 0.597 nan 8.230 nan 0.000 0.530 48 D N 0.562 120.932 120.400 -0.050 0.000 2.292 48 D HA -0.168 4.472 4.640 -0.001 0.000 0.205 48 D C 1.404 177.641 176.300 -0.105 0.000 0.994 48 D CA 1.595 55.542 54.000 -0.088 0.000 0.897 48 D CB -0.061 40.678 40.800 -0.101 0.000 0.907 48 D HN 0.264 nan 8.370 nan 0.000 0.467 49 M N -0.327 119.236 119.600 -0.063 0.000 2.595 49 M HA 0.084 4.564 4.480 -0.001 0.000 0.248 49 M C 1.703 177.980 176.300 -0.038 0.000 1.119 49 M CA 0.304 55.576 55.300 -0.046 0.000 1.079 49 M CB 0.128 32.711 32.600 -0.027 0.000 1.472 49 M HN -0.046 nan 8.290 nan 0.000 0.501 50 L N -0.681 120.517 121.223 -0.041 0.000 2.044 50 L HA -0.093 4.247 4.340 -0.001 0.000 0.205 50 L C 0.438 177.288 176.870 -0.033 0.000 1.075 50 L CA 0.847 55.669 54.840 -0.031 0.000 0.747 50 L CB -0.086 41.957 42.059 -0.027 0.000 0.903 50 L HN 0.227 nan 8.230 nan 0.000 0.435 51 N N -0.958 117.710 118.700 -0.053 0.000 2.673 51 N HA 0.188 4.927 4.740 -0.001 0.000 0.265 51 N C -2.554 172.897 175.510 -0.098 0.000 1.709 51 N CA -0.757 52.262 53.050 -0.052 0.000 0.792 51 N CB 0.908 39.374 38.487 -0.035 0.000 1.286 51 N HN -0.030 nan 8.380 nan 0.000 0.506 52 P HA 0.109 nan 4.420 nan 0.000 0.276 52 P C -0.165 176.959 177.300 -0.293 0.000 1.264 52 P CA -0.115 62.766 63.100 -0.364 0.000 0.769 52 P CB 0.524 31.764 31.700 -0.767 0.000 0.840 53 N N 3.058 121.645 118.700 -0.188 0.000 2.555 53 N HA 0.021 4.761 4.740 -0.001 0.000 0.244 53 N C 0.568 176.037 175.510 -0.069 0.000 1.114 53 N CA -0.167 52.841 53.050 -0.071 0.000 0.963 53 N CB -0.186 38.283 38.487 -0.029 0.000 1.276 53 N HN 0.235 nan 8.380 nan 0.000 0.510 54 Y N 1.952 122.279 120.300 0.045 0.000 2.224 54 Y HA -0.168 4.382 4.550 -0.001 0.000 0.289 54 Y C 1.820 177.754 175.900 0.057 0.000 1.146 54 Y CA 1.213 59.347 58.100 0.057 0.000 1.182 54 Y CB 0.160 38.661 38.460 0.069 0.000 0.983 54 Y HN 0.476 nan 8.280 nan 0.000 0.524 55 E N 0.028 120.348 120.200 0.200 0.000 2.070 55 E HA -0.253 4.097 4.350 -0.001 0.000 0.197 55 E C 1.820 178.479 176.600 0.099 0.000 1.004 55 E CA 1.790 58.269 56.400 0.132 0.000 0.805 55 E CB -0.391 29.366 29.700 0.094 0.000 0.744 55 E HN 0.515 nan 8.360 nan 0.000 0.451 56 D N -0.896 119.544 120.400 0.066 0.000 2.117 56 D HA -0.119 4.520 4.640 -0.001 0.000 0.198 56 D C 1.515 177.837 176.300 0.036 0.000 0.982 56 D CA 0.610 54.634 54.000 0.040 0.000 0.828 56 D CB 0.041 40.849 40.800 0.014 0.000 0.967 56 D HN 0.005 nan 8.370 nan 0.000 0.464 57 L N 0.271 121.512 121.223 0.029 0.000 2.131 57 L HA -0.021 4.319 4.340 -0.001 0.000 0.210 57 L C 2.147 179.051 176.870 0.058 0.000 1.092 57 L CA 0.999 55.851 54.840 0.019 0.000 0.759 57 L CB -1.053 41.000 42.059 -0.011 0.000 0.903 57 L HN 0.257 nan 8.230 nan 0.000 0.435 58 L N -1.388 119.904 121.223 0.115 0.000 2.341 58 L HA -0.025 4.315 4.340 -0.001 0.000 0.214 58 L C 2.200 179.169 176.870 0.164 0.000 1.115 58 L CA 1.052 55.987 54.840 0.158 0.000 0.820 58 L CB -0.355 41.835 42.059 0.219 0.000 0.944 58 L HN 0.073 nan 8.230 nan 0.000 0.452 59 I N 0.353 120.994 120.570 0.119 0.000 2.208 59 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 59 I C 2.494 178.658 176.117 0.078 0.000 1.097 59 I CA 1.667 63.027 61.300 0.100 0.000 1.363 59 I CB -0.337 37.701 38.000 0.064 0.000 1.051 59 I HN 0.380 nan 8.210 nan 0.000 0.413 60 R N -0.144 120.382 120.500 0.043 0.000 2.310 60 R HA 0.094 4.434 4.340 -0.001 0.000 0.202 60 R C 0.164 176.451 176.300 -0.021 0.000 0.933 60 R CA 0.128 56.235 56.100 0.011 0.000 1.054 60 R CB -0.167 30.128 30.300 -0.008 0.000 0.985 60 R HN -0.005 nan 8.270 nan 0.000 0.489 61 K N 1.855 122.238 120.400 -0.029 0.000 2.110 61 K HA 0.227 4.547 4.320 -0.001 0.000 0.263 61 K C -0.018 176.562 176.600 -0.032 0.000 0.975 61 K CA -0.359 55.847 56.287 -0.135 0.000 0.895 61 K CB 1.837 34.162 32.500 -0.293 0.000 1.060 61 K HN 0.214 nan 8.250 nan 0.000 0.448 62 S N 0.437 116.108 115.700 -0.048 0.000 2.739 62 S HA 0.310 4.780 4.470 -0.001 0.000 0.306 62 S C 0.793 175.480 174.600 0.144 0.000 1.115 62 S CA -0.712 57.560 58.200 0.121 0.000 0.985 62 S CB 0.990 64.257 63.200 0.111 0.000 1.133 62 S HN 0.422 nan 8.310 nan 0.000 0.541 63 N N 0.813 119.695 118.700 0.304 0.000 2.137 63 N HA -0.180 4.559 4.740 -0.001 0.000 0.190 63 N C 1.448 177.126 175.510 0.280 0.000 1.017 63 N CA 1.661 54.919 53.050 0.346 0.000 0.859 63 N CB -0.967 37.668 38.487 0.246 0.000 1.002 63 N HN 0.820 nan 8.380 nan 0.000 0.428 64 H N 0.280 119.388 119.070 0.063 0.000 2.489 64 H HA 0.043 4.599 4.556 -0.000 0.000 0.293 64 H C 1.148 176.432 175.328 -0.072 0.000 1.066 64 H CA 0.780 56.830 56.048 0.003 0.000 1.305 64 H CB 0.415 30.170 29.762 -0.012 0.000 1.386 64 H HN 0.153 nan 8.280 nan 0.000 0.551 65 S N 0.117 115.705 115.700 -0.187 0.000 2.474 65 S HA -0.070 4.400 4.470 -0.001 0.000 0.235 65 S C -0.025 174.229 174.600 -0.575 0.000 0.997 65 S CA 0.500 58.416 58.200 -0.473 0.000 0.949 65 S CB -0.118 62.672 63.200 -0.683 0.000 0.766 65 S HN 0.182 nan 8.310 nan 0.000 0.517 66 F N 1.650 121.517 119.950 -0.138 0.000 2.388 66 F HA 0.454 4.981 4.527 -0.001 0.000 0.358 66 F C -0.101 175.627 175.800 -0.121 0.000 1.122 66 F CA -1.140 56.781 58.000 -0.132 0.000 1.056 66 F CB 0.832 39.753 39.000 -0.132 0.000 1.155 66 F HN -0.028 nan 8.300 nan 0.000 0.461 67 L N 5.674 126.912 121.223 0.026 0.000 2.265 67 L HA 0.574 4.914 4.340 -0.001 0.000 0.289 67 L C -0.830 176.024 176.870 -0.027 0.000 1.033 67 L CA -0.658 54.169 54.840 -0.022 0.000 0.814 67 L CB 1.144 43.170 42.059 -0.056 0.000 1.203 67 L HN 0.435 nan 8.230 nan 0.000 0.423 68 V N 5.971 125.845 119.914 -0.066 0.000 2.540 68 V HA 0.604 4.723 4.120 -0.001 0.000 0.302 68 V C -0.875 175.127 176.094 -0.154 0.000 1.035 68 V CA -0.397 61.828 62.300 -0.126 0.000 0.873 68 V CB 2.036 33.743 31.823 -0.193 0.000 0.992 68 V HN 0.928 nan 8.190 nan 0.000 0.428 69 Q N 4.550 124.268 119.800 -0.137 0.000 2.310 69 Q HA 0.807 5.147 4.340 -0.001 0.000 0.270 69 Q C -0.695 175.239 176.000 -0.110 0.000 1.025 69 Q CA -0.125 55.615 55.803 -0.106 0.000 0.772 69 Q CB 2.046 30.751 28.738 -0.055 0.000 1.253 69 Q HN 1.174 nan 8.270 nan 0.000 0.450 70 A N 3.296 126.047 122.820 -0.114 0.000 2.328 70 A HA 0.726 5.045 4.320 -0.001 0.000 0.318 70 A C 0.694 178.296 177.584 0.029 0.000 1.347 70 A CA 0.234 52.245 52.037 -0.042 0.000 0.842 70 A CB 0.010 18.940 19.000 -0.117 0.000 1.148 70 A HN 1.017 nan 8.150 nan 0.000 0.499 71 G N 3.177 112.003 108.800 0.043 0.000 2.629 71 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.313 71 G HA3 -0.414 3.546 3.960 -0.001 0.000 0.313 71 G C 0.659 175.573 174.900 0.022 0.000 1.217 71 G CA 1.015 46.140 45.100 0.042 0.000 0.994 71 G HN 0.896 nan 8.290 nan 0.000 0.549 72 N N -0.010 118.704 118.700 0.024 0.000 2.336 72 N HA 0.357 5.097 4.740 -0.001 0.000 0.189 72 N C -0.089 175.424 175.510 0.004 0.000 1.113 72 N CA 0.111 53.169 53.050 0.014 0.000 0.858 72 N CB 0.907 39.405 38.487 0.018 0.000 0.970 72 N HN 0.348 nan 8.380 nan 0.000 0.471 73 V N 1.542 121.455 119.914 -0.001 0.000 2.547 73 V HA 0.201 4.321 4.120 -0.001 0.000 0.299 73 V C -0.295 175.766 176.094 -0.055 0.000 1.040 73 V CA -0.935 61.356 62.300 -0.015 0.000 0.913 73 V CB 1.763 33.589 31.823 0.005 0.000 0.992 73 V HN 0.119 nan 8.190 nan 0.000 0.449 74 Q N 4.169 123.937 119.800 -0.053 0.000 2.274 74 Q HA 0.533 4.872 4.340 -0.001 0.000 0.256 74 Q C -0.838 175.098 176.000 -0.107 0.000 0.927 74 Q CA -0.267 55.490 55.803 -0.077 0.000 0.939 74 Q CB 1.879 30.590 28.738 -0.044 0.000 1.201 74 Q HN 0.586 nan 8.270 nan 0.000 0.426 75 L N 2.317 123.432 121.223 -0.179 0.000 2.264 75 L HA 0.426 4.766 4.340 -0.001 0.000 0.289 75 L C 0.688 177.477 176.870 -0.135 0.000 1.044 75 L CA -0.593 54.116 54.840 -0.218 0.000 0.807 75 L CB 0.969 42.757 42.059 -0.451 0.000 1.192 75 L HN 0.382 nan 8.230 nan 0.000 0.425 76 R N 2.631 123.085 120.500 -0.076 0.000 2.401 76 R HA 0.281 4.621 4.340 -0.001 0.000 0.299 76 R C -0.879 175.399 176.300 -0.037 0.000 1.064 76 R CA -0.459 55.622 56.100 -0.030 0.000 1.000 76 R CB 0.833 31.130 30.300 -0.006 0.000 0.973 76 R HN 0.404 nan 8.270 nan 0.000 0.438 77 V N 7.851 127.761 119.914 -0.007 0.000 2.455 77 V HA 0.080 4.200 4.120 -0.001 0.000 0.273 77 V C 1.161 177.274 176.094 0.031 0.000 1.045 77 V CA 0.021 62.318 62.300 -0.006 0.000 0.976 77 V CB 1.086 32.928 31.823 0.032 0.000 0.993 77 V HN 0.810 nan 8.190 nan 0.000 0.475 78 I N 1.812 122.387 120.570 0.008 0.000 4.154 78 I HA 0.736 4.906 4.170 -0.001 0.000 0.334 78 I C 0.619 176.744 176.117 0.013 0.000 1.371 78 I CA -0.023 61.288 61.300 0.017 0.000 1.110 78 I CB 0.664 38.666 38.000 0.003 0.000 1.085 78 I HN 0.609 nan 8.210 nan 0.000 0.398 79 G N 1.562 110.368 108.800 0.012 0.000 2.556 79 G HA2 0.487 4.447 3.960 -0.001 0.000 0.294 79 G HA3 0.487 4.447 3.960 -0.001 0.000 0.294 79 G C -1.728 173.162 174.900 -0.018 0.000 1.516 79 G CA -0.494 44.591 45.100 -0.025 0.000 0.824 79 G HN 0.471 nan 8.290 nan 0.000 0.535 80 H N -1.390 117.624 119.070 -0.093 0.000 3.046 80 H HA 0.860 5.416 4.556 -0.000 0.000 0.363 80 H C -0.776 174.491 175.328 -0.101 0.000 1.203 80 H CA -0.436 55.511 56.048 -0.169 0.000 1.169 80 H CB 1.802 31.419 29.762 -0.241 0.000 1.851 80 H HN 1.252 nan 8.280 nan 0.000 0.546 81 S N 2.374 118.052 115.700 -0.037 0.000 2.611 81 S HA 0.473 4.943 4.470 -0.001 0.000 0.268 81 S C -0.947 173.648 174.600 -0.007 0.000 1.156 81 S CA -1.113 57.067 58.200 -0.033 0.000 0.817 81 S CB 2.438 65.593 63.200 -0.075 0.000 1.122 81 S HN 0.765 nan 8.310 nan 0.000 0.466 82 M N 1.624 121.230 119.600 0.011 0.000 2.404 82 M HA 0.512 4.992 4.480 -0.001 0.000 0.338 82 M C -1.213 175.082 176.300 -0.009 0.000 1.150 82 M CA -0.262 55.039 55.300 0.002 0.000 1.016 82 M CB 1.759 34.377 32.600 0.030 0.000 1.672 82 M HN 0.884 nan 8.290 nan 0.000 0.448 83 Q N 4.789 124.578 119.800 -0.019 0.000 2.337 83 Q HA 0.293 4.633 4.340 -0.001 0.000 0.260 83 Q C -0.608 175.373 176.000 -0.032 0.000 0.982 83 Q CA -0.512 55.285 55.803 -0.009 0.000 0.734 83 Q CB 0.850 29.600 28.738 0.019 0.000 1.272 83 Q HN 1.061 nan 8.270 nan 0.000 0.461 84 N N 1.464 120.143 118.700 -0.034 0.000 1.241 84 N HA -0.287 4.453 4.740 -0.001 0.000 0.135 84 N C 0.170 175.631 175.510 -0.082 0.000 0.723 84 N CA 1.903 54.923 53.050 -0.050 0.000 0.950 84 N CB -1.232 37.218 38.487 -0.062 0.000 1.215 84 N HN 0.728 nan 8.380 nan 0.000 0.520 85 C N 1.666 120.905 119.300 -0.102 0.000 2.625 85 C HA 0.431 4.891 4.460 -0.001 0.000 0.285 85 C C 0.834 175.791 174.990 -0.055 0.000 1.279 85 C CA -0.405 58.547 59.018 -0.110 0.000 1.698 85 C CB -1.666 26.009 27.740 -0.108 0.000 1.821 85 C HN 0.158 nan 8.230 nan 0.000 0.600 86 L N 0.254 121.432 121.223 -0.075 0.000 2.330 86 L HA 0.542 4.882 4.340 -0.001 0.000 0.271 86 L C -0.232 176.589 176.870 -0.081 0.000 1.013 86 L CA -0.583 54.214 54.840 -0.071 0.000 0.816 86 L CB 1.299 43.332 42.059 -0.042 0.000 1.287 86 L HN 0.009 nan 8.230 nan 0.000 0.435 87 L N 1.938 123.096 121.223 -0.109 0.000 2.334 87 L HA 0.448 4.788 4.340 -0.001 0.000 0.277 87 L C -0.297 176.463 176.870 -0.184 0.000 1.075 87 L CA -0.469 54.291 54.840 -0.134 0.000 0.804 87 L CB 1.216 43.168 42.059 -0.179 0.000 1.174 87 L HN 0.561 nan 8.230 nan 0.000 0.438 88 R N 4.676 125.050 120.500 -0.209 0.000 2.337 88 R HA 0.525 4.865 4.340 -0.001 0.000 0.319 88 R C -1.347 174.770 176.300 -0.304 0.000 0.954 88 R CA -0.519 55.385 56.100 -0.327 0.000 0.840 88 R CB 1.270 31.404 30.300 -0.276 0.000 1.164 88 R HN 0.475 nan 8.270 nan 0.000 0.472 89 L N 3.013 124.020 121.223 -0.359 0.000 2.272 89 L HA 0.446 4.786 4.340 -0.001 0.000 0.289 89 L C 0.153 176.881 176.870 -0.236 0.000 1.032 89 L CA -0.676 53.971 54.840 -0.322 0.000 0.810 89 L CB 1.400 43.218 42.059 -0.402 0.000 1.205 89 L HN 0.391 nan 8.230 nan 0.000 0.422 90 K N 3.275 123.579 120.400 -0.160 0.000 2.234 90 K HA 0.528 4.848 4.320 -0.001 0.000 0.282 90 K C -0.579 175.971 176.600 -0.084 0.000 1.039 90 K CA -0.523 55.703 56.287 -0.102 0.000 0.928 90 K CB 1.292 33.751 32.500 -0.068 0.000 1.039 90 K HN 0.492 nan 8.250 nan 0.000 0.470 91 V N 0.513 120.394 119.914 -0.056 0.000 3.019 91 V HA 0.329 4.448 4.120 -0.001 0.000 0.317 91 V C 0.434 176.533 176.094 0.007 0.000 1.094 91 V CA -0.611 61.652 62.300 -0.061 0.000 1.000 91 V CB 1.710 33.431 31.823 -0.171 0.000 1.060 91 V HN 0.925 nan 8.190 nan 0.000 0.443 92 D N -0.320 120.082 120.400 0.002 0.000 2.340 92 D HA 0.065 4.704 4.640 -0.001 0.000 0.220 92 D C 0.475 176.819 176.300 0.073 0.000 1.039 92 D CA 0.284 54.301 54.000 0.030 0.000 0.866 92 D CB 0.112 40.920 40.800 0.014 0.000 0.913 92 D HN 0.616 nan 8.370 nan 0.000 0.523 93 T N -0.003 114.631 114.554 0.133 0.000 2.841 93 T HA 0.315 4.664 4.350 -0.001 0.000 0.285 93 T C -0.821 174.107 174.700 0.380 0.000 0.991 93 T CA -0.691 61.548 62.100 0.233 0.000 0.966 93 T CB 1.863 70.895 68.868 0.275 0.000 0.962 93 T HN -0.028 nan 8.240 nan 0.000 0.438 94 S N 3.097 118.925 115.700 0.213 0.000 2.528 94 S HA 0.166 4.636 4.470 -0.001 0.000 0.277 94 S C 0.420 174.965 174.600 -0.092 0.000 1.297 94 S CA -0.674 57.593 58.200 0.111 0.000 1.052 94 S CB 0.030 63.246 63.200 0.027 0.000 0.917 94 S HN 0.633 nan 8.310 nan 0.000 0.492 95 N N 5.359 123.706 118.700 -0.589 0.000 2.414 95 N HA 0.126 4.865 4.740 -0.001 0.000 0.268 95 N C -1.858 173.300 175.510 -0.587 0.000 1.286 95 N CA -1.588 50.670 53.050 -1.321 0.000 0.896 95 N CB 1.057 38.346 38.487 -1.997 0.000 1.093 95 N HN 0.373 nan 8.380 nan 0.000 0.480 96 P HA -0.065 nan 4.420 nan 0.000 0.225 96 P C 0.133 177.322 177.300 -0.183 0.000 1.148 96 P CA 1.310 64.291 63.100 -0.198 0.000 0.779 96 P CB 0.267 31.904 31.700 -0.106 0.000 0.780 97 K N -1.375 118.875 120.400 -0.251 0.000 2.387 97 K HA 0.130 4.450 4.320 -0.001 0.000 0.198 97 K C 0.095 176.593 176.600 -0.169 0.000 1.022 97 K CA 0.062 56.245 56.287 -0.173 0.000 1.128 97 K CB -0.164 32.249 32.500 -0.146 0.000 0.853 97 K HN 0.058 nan 8.250 nan 0.000 0.523 98 T N 4.683 119.109 114.554 -0.213 0.000 2.822 98 T HA 0.023 4.373 4.350 -0.001 0.000 0.288 98 T C -1.848 172.840 174.700 -0.021 0.000 0.991 98 T CA -0.679 61.341 62.100 -0.133 0.000 1.176 98 T CB 0.310 69.111 68.868 -0.111 0.000 0.951 98 T HN 0.182 nan 8.240 nan 0.000 0.526 99 P HA 0.319 nan 4.420 nan 0.000 0.280 99 P C -0.512 176.880 177.300 0.154 0.000 1.272 99 P CA -0.911 62.227 63.100 0.064 0.000 0.819 99 P CB 0.922 32.645 31.700 0.039 0.000 1.122 100 K N 0.766 121.211 120.400 0.076 0.000 2.451 100 K HA 0.175 4.495 4.320 -0.001 0.000 0.280 100 K C -0.138 176.530 176.600 0.113 0.000 1.020 100 K CA 0.607 56.921 56.287 0.044 0.000 1.008 100 K CB -0.255 32.239 32.500 -0.011 0.000 0.917 100 K HN 0.547 nan 8.250 nan 0.000 0.478 101 Y N -0.379 119.894 120.300 -0.045 0.000 2.670 101 Y HA 0.545 5.095 4.550 -0.001 0.000 0.334 101 Y C -1.387 174.472 175.900 -0.069 0.000 1.185 101 Y CA -1.458 56.624 58.100 -0.031 0.000 1.053 101 Y CB 1.450 39.999 38.460 0.148 0.000 1.298 101 Y HN 0.538 nan 8.280 nan 0.000 0.459 102 K N 0.829 121.292 120.400 0.106 0.000 2.536 102 K HA 0.619 4.939 4.320 -0.001 0.000 0.269 102 K C -2.211 174.594 176.600 0.342 0.000 0.965 102 K CA -0.773 55.513 56.287 -0.002 0.000 0.860 102 K CB 2.064 34.529 32.500 -0.060 0.000 1.423 102 K HN 0.440 nan 8.250 nan 0.000 0.438 103 F N 1.573 121.616 119.950 0.154 0.000 2.410 103 F HA 0.403 4.929 4.527 -0.000 0.000 0.349 103 F C 0.229 176.063 175.800 0.056 0.000 1.117 103 F CA -1.085 56.986 58.000 0.119 0.000 1.104 103 F CB 1.715 40.745 39.000 0.051 0.000 1.122 103 F HN 0.430 nan 8.300 nan 0.000 0.483 104 V N 1.494 121.555 119.914 0.244 0.000 2.914 104 V HA 0.682 4.802 4.120 -0.001 0.000 0.314 104 V C -0.652 175.517 176.094 0.125 0.000 1.084 104 V CA -1.261 61.121 62.300 0.137 0.000 0.963 104 V CB 2.143 34.020 31.823 0.089 0.000 1.025 104 V HN 0.747 nan 8.190 nan 0.000 0.432 105 R N 2.364 122.934 120.500 0.115 0.000 2.255 105 R HA 0.642 4.982 4.340 -0.001 0.000 0.326 105 R C -0.898 175.530 176.300 0.213 0.000 0.986 105 R CA -0.706 55.496 56.100 0.170 0.000 0.847 105 R CB 1.321 31.671 30.300 0.084 0.000 1.111 105 R HN 0.843 nan 8.270 nan 0.000 0.452 106 I N 2.696 123.442 120.570 0.293 0.000 2.764 106 I HA 0.074 4.244 4.170 -0.001 0.000 0.294 106 I C -0.126 176.121 176.117 0.217 0.000 1.045 106 I CA 0.205 61.605 61.300 0.166 0.000 1.340 106 I CB 1.332 39.346 38.000 0.022 0.000 1.436 106 I HN 0.557 nan 8.210 nan 0.000 0.567 107 Q N 6.091 125.988 119.800 0.162 0.000 2.215 107 Q HA 0.470 4.809 4.340 -0.001 0.000 0.256 107 Q C -2.318 173.777 176.000 0.157 0.000 0.972 107 Q CA -2.178 53.734 55.803 0.182 0.000 0.889 107 Q CB 0.595 29.430 28.738 0.163 0.000 1.281 107 Q HN 0.313 nan 8.270 nan 0.000 0.456 108 P HA 0.055 nan 4.420 nan 0.000 0.266 108 P C 0.637 177.984 177.300 0.078 0.000 1.195 108 P CA 1.055 64.218 63.100 0.105 0.000 0.768 108 P CB 0.384 32.128 31.700 0.074 0.000 0.838 109 G N 1.221 110.042 108.800 0.035 0.000 2.258 109 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.233 109 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.233 109 G C 0.137 175.060 174.900 0.039 0.000 1.006 109 G CA -0.323 44.785 45.100 0.013 0.000 0.620 109 G HN 0.582 nan 8.290 nan 0.000 0.511 110 Q N 1.327 121.179 119.800 0.087 0.000 2.354 110 Q HA 0.513 4.852 4.340 -0.001 0.000 0.244 110 Q C 0.644 176.708 176.000 0.107 0.000 0.969 110 Q CA 0.630 56.507 55.803 0.123 0.000 0.885 110 Q CB 0.915 29.741 28.738 0.147 0.000 1.241 110 Q HN 0.549 nan 8.270 nan 0.000 0.461 111 T N -1.214 113.400 114.554 0.100 0.000 2.952 111 T HA 0.779 5.129 4.350 -0.001 0.000 0.286 111 T C -0.513 174.279 174.700 0.154 0.000 1.024 111 T CA -0.730 61.360 62.100 -0.017 0.000 1.029 111 T CB 0.734 69.540 68.868 -0.103 0.000 1.094 111 T HN 0.528 nan 8.240 nan 0.000 0.515 112 F N -2.142 117.744 119.950 -0.107 0.000 2.741 112 F HA 0.739 5.266 4.527 -0.000 0.000 0.311 112 F C -0.953 174.698 175.800 -0.248 0.000 1.149 112 F CA -1.305 56.614 58.000 -0.136 0.000 0.930 112 F CB 0.910 39.830 39.000 -0.135 0.000 1.312 112 F HN 0.562 nan 8.300 nan 0.000 0.450 113 S N 0.982 116.559 115.700 -0.203 0.000 2.541 113 S HA 0.713 5.183 4.470 -0.001 0.000 0.283 113 S C -0.782 173.594 174.600 -0.372 0.000 1.196 113 S CA -0.697 57.232 58.200 -0.452 0.000 1.062 113 S CB 1.694 64.508 63.200 -0.643 0.000 1.009 113 S HN 0.540 nan 8.310 nan 0.000 0.502 114 V N 3.723 123.388 119.914 -0.415 0.000 2.417 114 V HA 0.372 4.491 4.120 -0.001 0.000 0.291 114 V C -0.538 175.427 176.094 -0.214 0.000 1.024 114 V CA -0.714 61.416 62.300 -0.283 0.000 0.861 114 V CB 1.419 32.841 31.823 -0.668 0.000 0.985 114 V HN 0.694 nan 8.190 nan 0.000 0.436 115 L N 5.817 127.143 121.223 0.172 0.000 2.270 115 L HA 0.711 5.051 4.340 -0.001 0.000 0.286 115 L C 0.636 177.582 176.870 0.125 0.000 1.059 115 L CA -0.005 54.937 54.840 0.169 0.000 0.839 115 L CB 0.585 42.804 42.059 0.266 0.000 1.221 115 L HN 0.740 nan 8.230 nan 0.000 0.431 116 A N 4.647 127.524 122.820 0.094 0.000 2.488 116 A HA 0.498 4.818 4.320 -0.001 0.000 0.249 116 A C -0.260 177.356 177.584 0.052 0.000 1.083 116 A CA -0.148 51.977 52.037 0.147 0.000 0.768 116 A CB -0.203 18.948 19.000 0.253 0.000 1.017 116 A HN 0.805 nan 8.150 nan 0.000 0.496 117 C N 1.226 120.417 119.300 -0.181 0.000 2.797 117 C HA 0.753 5.213 4.460 -0.001 0.000 0.306 117 C C -1.161 173.472 174.990 -0.595 0.000 1.207 117 C CA -0.611 58.294 59.018 -0.187 0.000 1.507 117 C CB 0.848 28.546 27.740 -0.071 0.000 2.028 117 C HN 0.800 nan 8.230 nan 0.000 0.475 118 Y N 0.831 121.184 120.300 0.088 0.000 2.433 118 Y HA 0.350 4.900 4.550 -0.001 0.000 0.337 118 Y C 0.513 176.444 175.900 0.051 0.000 1.026 118 Y CA -0.621 57.523 58.100 0.074 0.000 1.037 118 Y CB 1.052 39.558 38.460 0.077 0.000 1.245 118 Y HN 0.924 nan 8.280 nan 0.000 0.443 119 N N 1.064 119.851 118.700 0.145 0.000 2.741 119 N HA -0.212 4.528 4.740 -0.001 0.000 0.250 119 N C 0.959 176.502 175.510 0.055 0.000 1.115 119 N CA 0.922 54.026 53.050 0.088 0.000 0.724 119 N CB -0.988 37.559 38.487 0.099 0.000 1.090 119 N HN 1.264 nan 8.380 nan 0.000 0.558 120 G N -1.065 107.756 108.800 0.035 0.000 2.168 120 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.263 120 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.263 120 G C 0.020 174.949 174.900 0.049 0.000 0.977 120 G CA 0.558 45.673 45.100 0.025 0.000 0.659 120 G HN 1.225 nan 8.290 nan 0.000 0.533 121 S N 0.087 115.833 115.700 0.076 0.000 2.456 121 S HA 0.703 5.173 4.470 -0.001 0.000 0.316 121 S C -2.449 172.218 174.600 0.111 0.000 1.089 121 S CA -1.755 56.499 58.200 0.090 0.000 1.101 121 S CB 2.867 66.125 63.200 0.097 0.000 0.995 121 S HN 0.077 nan 8.310 nan 0.000 0.468 122 P HA 0.133 nan 4.420 nan 0.000 0.264 122 P C 0.581 177.965 177.300 0.140 0.000 1.193 122 P CA -0.140 63.024 63.100 0.107 0.000 0.763 122 P CB 0.868 32.621 31.700 0.088 0.000 0.810 123 S N 1.996 117.807 115.700 0.186 0.000 2.575 123 S HA 0.464 4.934 4.470 -0.001 0.000 0.230 123 S C 0.718 175.416 174.600 0.164 0.000 1.062 123 S CA 0.369 58.688 58.200 0.199 0.000 0.913 123 S CB 0.025 63.409 63.200 0.306 0.000 0.837 123 S HN 0.582 nan 8.310 nan 0.000 0.487 124 G N 0.085 108.987 108.800 0.171 0.000 2.547 124 G HA2 0.532 4.492 3.960 -0.001 0.000 0.291 124 G HA3 0.532 4.492 3.960 -0.001 0.000 0.291 124 G C -2.211 172.775 174.900 0.142 0.000 1.471 124 G CA -0.190 45.002 45.100 0.154 0.000 0.798 124 G HN 0.679 nan 8.290 nan 0.000 0.504 125 V N 0.853 120.843 119.914 0.127 0.000 2.841 125 V HA 0.930 5.050 4.120 -0.001 0.000 0.310 125 V C -1.526 174.616 176.094 0.081 0.000 1.090 125 V CA -0.805 61.523 62.300 0.047 0.000 0.930 125 V CB 1.643 33.520 31.823 0.090 0.000 1.014 125 V HN 1.423 nan 8.190 nan 0.000 0.425 126 Y N 2.678 122.934 120.300 -0.074 0.000 2.609 126 Y HA 0.797 5.347 4.550 -0.000 0.000 0.336 126 Y C -0.921 174.851 175.900 -0.214 0.000 1.129 126 Y CA -1.272 56.739 58.100 -0.148 0.000 1.040 126 Y CB 1.522 39.877 38.460 -0.174 0.000 1.310 126 Y HN 0.580 nan 8.280 nan 0.000 0.460 127 Q N 1.883 121.637 119.800 -0.077 0.000 2.241 127 Q HA 0.735 5.075 4.340 -0.001 0.000 0.254 127 Q C -0.761 175.089 176.000 -0.251 0.000 0.917 127 Q CA -0.274 55.380 55.803 -0.250 0.000 0.919 127 Q CB 1.389 29.950 28.738 -0.295 0.000 1.237 127 Q HN 1.029 nan 8.270 nan 0.000 0.434 128 C N 0.574 119.593 119.300 -0.469 0.000 3.323 128 C HA 1.042 5.501 4.460 -0.001 0.000 0.324 128 C C -0.872 173.725 174.990 -0.656 0.000 1.428 128 C CA -0.701 58.020 59.018 -0.494 0.000 1.368 128 C CB 0.956 28.454 27.740 -0.404 0.000 1.731 128 C HN 0.954 nan 8.230 nan 0.000 0.455 129 A N 1.079 123.620 122.820 -0.464 0.000 2.350 129 A HA 0.762 5.082 4.320 -0.001 0.000 0.324 129 A C -0.449 176.996 177.584 -0.232 0.000 1.118 129 A CA -0.417 51.425 52.037 -0.326 0.000 0.783 129 A CB 1.082 19.960 19.000 -0.202 0.000 1.236 129 A HN 1.351 nan 8.150 nan 0.000 0.457 130 M N 3.210 122.772 119.600 -0.063 0.000 2.292 130 M HA 0.221 4.701 4.480 -0.001 0.000 0.342 130 M C 0.324 176.612 176.300 -0.021 0.000 1.538 130 M CA -0.163 55.151 55.300 0.023 0.000 1.163 130 M CB -0.280 32.361 32.600 0.067 0.000 1.823 130 M HN 0.605 nan 8.290 nan 0.000 0.462 131 R N 5.837 126.320 120.500 -0.028 0.000 2.738 131 R HA 0.179 4.519 4.340 -0.001 0.000 0.268 131 R C -1.720 174.524 176.300 -0.093 0.000 1.062 131 R CA -1.955 54.113 56.100 -0.054 0.000 1.158 131 R CB -0.832 29.446 30.300 -0.036 0.000 1.046 131 R HN 0.451 nan 8.270 nan 0.000 0.493 132 P HA -0.130 nan 4.420 nan 0.000 0.218 132 P C 0.443 177.531 177.300 -0.353 0.000 1.146 132 P CA 1.287 64.285 63.100 -0.170 0.000 0.813 132 P CB 0.118 31.765 31.700 -0.087 0.000 0.778 133 N N -1.527 117.047 118.700 -0.209 0.000 2.362 133 N HA -0.102 4.638 4.740 -0.001 0.000 0.204 133 N C -0.028 175.493 175.510 0.019 0.000 1.166 133 N CA -0.186 52.786 53.050 -0.129 0.000 0.831 133 N CB -1.355 37.163 38.487 0.051 0.000 1.008 133 N HN 0.231 nan 8.380 nan 0.000 0.472 134 H N -1.882 117.314 119.070 0.211 0.000 2.992 134 H HA -0.151 4.405 4.556 -0.000 0.000 0.266 134 H C -0.302 175.270 175.328 0.407 0.000 1.200 134 H CA 1.288 57.519 56.048 0.305 0.000 1.135 134 H CB -2.630 27.330 29.762 0.330 0.000 1.282 134 H HN 0.658 nan 8.280 nan 0.000 0.351 135 T N -1.347 113.399 114.554 0.320 0.000 2.940 135 T HA 0.761 5.111 4.350 -0.001 0.000 0.288 135 T C 0.731 175.522 174.700 0.151 0.000 1.045 135 T CA -0.650 61.600 62.100 0.249 0.000 1.018 135 T CB 3.044 72.002 68.868 0.150 0.000 1.151 135 T HN 0.396 nan 8.240 nan 0.000 0.529 136 I N -1.926 118.741 120.570 0.163 0.000 2.646 136 I HA 0.617 4.787 4.170 -0.001 0.000 0.299 136 I C -0.700 175.496 176.117 0.131 0.000 1.036 136 I CA -1.322 60.028 61.300 0.082 0.000 1.074 136 I CB 2.231 40.229 38.000 -0.003 0.000 1.258 136 I HN 0.521 nan 8.210 nan 0.000 0.430 137 K N 4.524 124.946 120.400 0.037 0.000 2.229 137 K HA 0.403 4.723 4.320 -0.001 0.000 0.247 137 K C 0.218 176.842 176.600 0.040 0.000 1.117 137 K CA -0.279 56.026 56.287 0.030 0.000 1.036 137 K CB 1.059 33.524 32.500 -0.059 0.000 1.654 137 K HN 0.906 nan 8.250 nan 0.000 0.405 138 G N 0.064 109.037 108.800 0.288 0.000 2.532 138 G HA2 0.220 4.180 3.960 -0.001 0.000 0.291 138 G HA3 0.220 4.180 3.960 -0.001 0.000 0.291 138 G C -0.879 173.852 174.900 -0.282 0.000 1.349 138 G CA -0.430 44.622 45.100 -0.081 0.000 1.038 138 G HN 0.301 nan 8.290 nan 0.000 0.518 139 S N -0.753 114.484 115.700 -0.772 0.000 2.789 139 S HA 0.680 5.149 4.470 -0.001 0.000 0.286 139 S C -1.760 172.502 174.600 -0.563 0.000 1.153 139 S CA -0.658 57.241 58.200 -0.502 0.000 1.084 139 S CB -0.032 62.857 63.200 -0.518 0.000 1.036 139 S HN 0.318 nan 8.310 nan 0.000 0.484 140 F N 3.890 123.801 119.950 -0.065 0.000 2.574 140 F HA 0.560 5.087 4.527 -0.001 0.000 0.313 140 F C -0.186 175.717 175.800 0.172 0.000 1.130 140 F CA -0.755 57.248 58.000 0.004 0.000 0.936 140 F CB 1.577 40.394 39.000 -0.304 0.000 1.219 140 F HN 0.371 nan 8.300 nan 0.000 0.445 141 L N 1.614 123.147 121.223 0.516 0.000 2.335 141 L HA 0.524 4.863 4.340 -0.001 0.000 0.268 141 L C -0.085 177.033 176.870 0.413 0.000 1.016 141 L CA -1.382 53.665 54.840 0.345 0.000 0.805 141 L CB 0.849 42.977 42.059 0.116 0.000 1.311 141 L HN 0.458 nan 8.230 nan 0.000 0.456 142 N N 0.943 119.801 118.700 0.262 0.000 2.412 142 N HA 0.147 4.886 4.740 -0.001 0.000 0.254 142 N C 0.865 176.573 175.510 0.329 0.000 1.232 142 N CA 1.205 54.398 53.050 0.238 0.000 0.880 142 N CB 0.667 39.242 38.487 0.146 0.000 1.076 142 N HN 0.880 nan 8.380 nan 0.000 0.458 143 G N 0.044 109.004 108.800 0.267 0.000 2.195 143 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.246 143 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.246 143 G C 0.914 175.891 174.900 0.129 0.000 0.984 143 G CA 0.631 45.880 45.100 0.249 0.000 0.633 143 G HN 0.687 nan 8.290 nan 0.000 0.525 144 S N -0.994 114.768 115.700 0.103 0.000 2.522 144 S HA 0.217 4.687 4.470 -0.001 0.000 0.227 144 S C 1.358 175.898 174.600 -0.100 0.000 0.986 144 S CA 0.636 58.721 58.200 -0.192 0.000 0.929 144 S CB -0.252 62.977 63.200 0.047 0.000 0.769 144 S HN 0.859 nan 8.310 nan 0.000 0.529 145 C N 2.443 121.722 119.300 -0.034 0.000 2.563 145 C HA 0.489 4.949 4.460 -0.001 0.000 0.411 145 C C 1.948 176.818 174.990 -0.199 0.000 1.386 145 C CA 0.888 59.823 59.018 -0.138 0.000 1.703 145 C CB -0.688 26.983 27.740 -0.116 0.000 2.596 145 C HN 0.946 nan 8.230 nan 0.000 0.605 146 G N 3.111 111.750 108.800 -0.269 0.000 2.217 146 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.246 146 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.246 146 G C 0.300 175.120 174.900 -0.134 0.000 0.990 146 G CA 0.253 45.209 45.100 -0.241 0.000 0.627 146 G HN 0.787 nan 8.290 nan 0.000 0.522 147 S N -0.034 115.622 115.700 -0.073 0.000 2.563 147 S HA 0.470 4.940 4.470 -0.001 0.000 0.284 147 S C 0.635 175.311 174.600 0.126 0.000 1.331 147 S CA 0.363 58.586 58.200 0.039 0.000 1.047 147 S CB 1.643 64.914 63.200 0.118 0.000 0.859 147 S HN 1.650 nan 8.310 nan 0.000 0.514 148 V N -0.028 120.009 119.914 0.205 0.000 2.864 148 V HA 1.018 5.138 4.120 -0.001 0.000 0.314 148 V C 0.216 176.596 176.094 0.477 0.000 1.073 148 V CA -0.846 61.624 62.300 0.283 0.000 0.956 148 V CB 1.604 33.546 31.823 0.198 0.000 1.023 148 V HN 0.848 nan 8.190 nan 0.000 0.435 149 G N 2.208 111.295 108.800 0.479 0.000 2.420 149 G HA2 0.859 4.819 3.960 -0.001 0.000 0.331 149 G HA3 0.859 4.819 3.960 -0.001 0.000 0.331 149 G C -1.246 173.848 174.900 0.323 0.000 1.168 149 G CA -0.653 44.683 45.100 0.393 0.000 0.936 149 G HN 1.643 nan 8.290 nan 0.000 0.479 150 F N -0.728 119.295 119.950 0.121 0.000 2.719 150 F HA 0.594 5.121 4.527 -0.000 0.000 0.309 150 F C -1.112 174.657 175.800 -0.052 0.000 1.138 150 F CA -1.521 56.445 58.000 -0.057 0.000 0.943 150 F CB 1.286 40.150 39.000 -0.226 0.000 1.304 150 F HN 0.348 nan 8.300 nan 0.000 0.445 151 N N 1.606 120.204 118.700 -0.169 0.000 2.328 151 N HA 0.693 5.433 4.740 -0.001 0.000 0.299 151 N C -1.538 173.562 175.510 -0.683 0.000 1.179 151 N CA -0.618 52.094 53.050 -0.564 0.000 0.793 151 N CB 2.929 41.255 38.487 -0.268 0.000 1.366 151 N HN 0.613 nan 8.380 nan 0.000 0.493 152 I N 0.637 120.412 120.570 -1.325 0.000 2.466 152 I HA 0.209 4.378 4.170 -0.001 0.000 0.289 152 I C -0.923 174.911 176.117 -0.471 0.000 1.026 152 I CA -0.683 60.213 61.300 -0.673 0.000 1.078 152 I CB 2.045 39.788 38.000 -0.428 0.000 1.249 152 I HN 0.345 nan 8.210 nan 0.000 0.429 153 D N 6.740 126.978 120.400 -0.270 0.000 2.505 153 D HA 0.411 5.051 4.640 -0.001 0.000 0.250 153 D C -0.631 175.593 176.300 -0.126 0.000 1.164 153 D CA 0.139 53.978 54.000 -0.267 0.000 0.870 153 D CB 0.659 41.315 40.800 -0.240 0.000 1.160 153 D HN 0.283 nan 8.370 nan 0.000 0.549 157 V N 5.837 125.665 119.914 -0.143 0.000 2.406 157 V HA 0.434 4.553 4.120 -0.001 0.000 0.272 157 V C 0.592 176.501 176.094 -0.308 0.000 1.043 157 V CA 0.179 62.291 62.300 -0.315 0.000 0.915 157 V CB 1.716 33.227 31.823 -0.518 0.000 0.988 157 V HN 0.880 nan 8.190 nan 0.000 0.466 158 S N 5.842 121.378 115.700 -0.273 0.000 2.434 158 S HA 0.548 5.018 4.470 -0.001 0.000 0.318 158 S C -0.430 174.103 174.600 -0.113 0.000 1.062 158 S CA -0.330 57.802 58.200 -0.113 0.000 1.116 158 S CB -0.053 63.103 63.200 -0.073 0.000 0.977 158 S HN 0.452 nan 8.310 nan 0.000 0.480 159 F N 1.965 122.030 119.950 0.192 0.000 2.438 159 F HA 0.221 4.748 4.527 -0.001 0.000 0.356 159 F C 1.558 177.382 175.800 0.041 0.000 1.099 159 F CA -0.856 57.221 58.000 0.127 0.000 1.185 159 F CB 0.441 39.487 39.000 0.077 0.000 1.115 159 F HN 0.709 nan 8.300 nan 0.000 0.526 160 C N 1.585 120.962 119.300 0.128 0.000 3.580 160 C HA 0.407 4.867 4.460 -0.001 0.000 0.337 160 C C -0.383 174.637 174.990 0.050 0.000 1.412 160 C CA -0.676 58.359 59.018 0.028 0.000 1.797 160 C CB -1.125 26.552 27.740 -0.105 0.000 2.470 160 C HN 0.704 nan 8.230 nan 0.000 0.691 161 Y N 1.210 121.415 120.300 -0.157 0.000 2.470 161 Y HA 0.692 5.241 4.550 -0.000 0.000 0.341 161 Y C -1.010 174.876 175.900 -0.022 0.000 1.021 161 Y CA -1.112 56.923 58.100 -0.108 0.000 1.025 161 Y CB 1.579 39.812 38.460 -0.378 0.000 1.266 161 Y HN 0.271 nan 8.280 nan 0.000 0.448 162 M N 5.679 124.931 119.600 -0.580 0.000 2.326 162 M HA 0.346 4.826 4.480 -0.001 0.000 0.306 162 M C -1.852 174.007 176.300 -0.736 0.000 1.054 162 M CA -0.814 54.198 55.300 -0.480 0.000 0.922 162 M CB 1.100 33.504 32.600 -0.327 0.000 1.632 162 M HN 0.927 nan 8.290 nan 0.000 0.436 163 H N 2.148 120.893 119.070 -0.542 0.000 2.722 163 H HA 0.270 4.825 4.556 -0.001 0.000 0.328 163 H C -0.612 174.563 175.328 -0.256 0.000 1.067 163 H CA 1.101 56.920 56.048 -0.382 0.000 1.447 163 H CB 0.620 30.146 29.762 -0.393 0.000 1.469 163 H HN 0.781 nan 8.280 nan 0.000 0.544 164 H N 2.974 121.610 119.070 -0.722 0.000 2.521 164 H HA 0.254 4.810 4.556 -0.001 0.000 0.267 164 H C -0.060 175.061 175.328 -0.344 0.000 0.963 164 H CA 0.918 56.761 56.048 -0.341 0.000 1.175 164 H CB 0.483 30.248 29.762 0.004 0.000 1.450 164 H HN 0.650 nan 8.280 nan 0.000 0.472 165 M N -1.339 118.114 119.600 -0.245 0.000 2.682 165 M HA 0.416 4.896 4.480 -0.001 0.000 0.272 165 M C -1.598 174.820 176.300 0.196 0.000 1.232 165 M CA -0.867 54.425 55.300 -0.014 0.000 0.849 165 M CB 3.096 35.726 32.600 0.051 0.000 1.695 165 M HN -0.093 nan 8.290 nan 0.000 0.481 166 E N 1.683 122.006 120.200 0.204 0.000 2.175 166 E HA 0.656 5.005 4.350 -0.001 0.000 0.278 166 E C -1.697 174.924 176.600 0.036 0.000 0.969 166 E CA -0.665 55.863 56.400 0.214 0.000 0.796 166 E CB 1.587 31.436 29.700 0.250 0.000 1.104 166 E HN 0.699 nan 8.360 nan 0.000 0.395 167 L N 5.229 126.420 121.223 -0.054 0.000 2.416 167 L HA 0.300 4.640 4.340 -0.001 0.000 0.262 167 L C -1.592 175.245 176.870 -0.054 0.000 1.093 167 L CA -1.939 52.846 54.840 -0.091 0.000 0.801 167 L CB 0.653 42.604 42.059 -0.180 0.000 1.191 167 L HN 0.537 nan 8.230 nan 0.000 0.459 168 P HA -0.166 nan 4.420 nan 0.000 0.218 168 P C 1.127 178.415 177.300 -0.020 0.000 1.146 168 P CA 1.277 64.368 63.100 -0.014 0.000 0.813 168 P CB -0.033 31.666 31.700 -0.001 0.000 0.778 169 T N -5.735 108.799 114.554 -0.033 0.000 3.148 169 T HA 0.313 4.662 4.350 -0.001 0.000 0.253 169 T C 1.522 176.185 174.700 -0.062 0.000 1.134 169 T CA 0.462 62.541 62.100 -0.036 0.000 1.051 169 T CB -0.729 68.123 68.868 -0.028 0.000 0.959 169 T HN 0.248 nan 8.240 nan 0.000 0.525 170 G N 0.875 109.622 108.800 -0.089 0.000 2.176 170 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.253 170 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.253 170 G C 0.193 174.876 174.900 -0.361 0.000 0.979 170 G CA 0.118 45.133 45.100 -0.141 0.000 0.641 170 G HN 1.315 nan 8.290 nan 0.000 0.530 171 V N -2.200 117.522 119.914 -0.320 0.000 3.262 171 V HA 0.884 5.003 4.120 -0.001 0.000 0.313 171 V C 0.367 176.202 176.094 -0.433 0.000 1.070 171 V CA -1.174 60.895 62.300 -0.385 0.000 1.049 171 V CB 1.400 33.147 31.823 -0.126 0.000 1.157 171 V HN 0.335 nan 8.190 nan 0.000 0.454 172 H N 0.524 119.700 119.070 0.177 0.000 2.690 172 H HA 0.850 5.405 4.556 -0.000 0.000 0.368 172 H C -0.275 175.243 175.328 0.317 0.000 1.150 172 H CA 0.044 56.289 56.048 0.328 0.000 1.174 172 H CB 1.995 32.069 29.762 0.520 0.000 1.684 172 H HN 1.120 nan 8.280 nan 0.000 0.538 173 A N 1.189 124.289 122.820 0.467 0.000 2.435 173 A HA 0.823 5.143 4.320 -0.001 0.000 0.304 173 A C -0.111 177.805 177.584 0.554 0.000 1.064 173 A CA -0.059 52.241 52.037 0.439 0.000 0.727 173 A CB 2.127 21.147 19.000 0.034 0.000 1.284 173 A HN 0.849 nan 8.150 nan 0.000 0.415 174 G N -0.576 108.538 108.800 0.524 0.000 2.634 174 G HA2 0.739 4.698 3.960 -0.001 0.000 0.309 174 G HA3 0.739 4.698 3.960 -0.001 0.000 0.309 174 G C -0.499 174.131 174.900 -0.449 0.000 1.299 174 G CA 0.324 45.337 45.100 -0.145 0.000 0.798 174 G HN 1.528 nan 8.290 nan 0.000 0.490 175 T N -1.714 112.407 114.554 -0.721 0.000 2.926 175 T HA 0.650 4.999 4.350 -0.001 0.000 0.289 175 T C -0.290 174.202 174.700 -0.347 0.000 1.054 175 T CA -0.102 61.587 62.100 -0.685 0.000 1.015 175 T CB 1.899 70.252 68.868 -0.858 0.000 1.167 175 T HN 0.793 nan 8.240 nan 0.000 0.526 176 D N 0.375 120.497 120.400 -0.462 0.000 2.414 176 D HA 0.102 4.741 4.640 -0.001 0.000 0.259 176 D C 1.029 177.118 176.300 -0.352 0.000 1.269 176 D CA -0.987 52.842 54.000 -0.284 0.000 1.028 176 D CB 0.181 40.787 40.800 -0.323 0.000 1.093 176 D HN 0.296 nan 8.370 nan 0.000 0.545 177 L N -0.371 120.589 121.223 -0.438 0.000 2.627 177 L HA 0.069 4.409 4.340 -0.001 0.000 0.233 177 L C 1.246 177.758 176.870 -0.597 0.000 1.144 177 L CA 0.818 55.175 54.840 -0.805 0.000 0.892 177 L CB -1.047 39.985 42.059 -1.712 0.000 1.039 177 L HN 0.517 nan 8.230 nan 0.000 0.442 178 E N -0.439 119.588 120.200 -0.289 0.000 2.474 178 E HA 0.145 4.495 4.350 -0.001 0.000 0.195 178 E C 1.265 177.782 176.600 -0.140 0.000 1.039 178 E CA 0.469 56.796 56.400 -0.122 0.000 0.881 178 E CB 0.425 30.093 29.700 -0.053 0.000 0.970 178 E HN 0.461 nan 8.360 nan 0.000 0.486 179 G N 2.404 111.070 108.800 -0.223 0.000 2.143 179 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.249 179 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.249 179 G C 0.011 174.749 174.900 -0.270 0.000 0.981 179 G CA 0.004 44.966 45.100 -0.230 0.000 0.665 179 G HN 0.139 nan 8.290 nan 0.000 0.528 180 K N 0.016 120.248 120.400 -0.280 0.000 2.227 180 K HA 0.513 4.832 4.320 -0.001 0.000 0.280 180 K C 0.167 176.553 176.600 -0.357 0.000 1.041 180 K CA -0.774 55.369 56.287 -0.241 0.000 0.905 180 K CB 0.773 33.159 32.500 -0.190 0.000 1.068 180 K HN 0.086 nan 8.250 nan 0.000 0.470 181 F N 2.087 121.889 119.950 -0.246 0.000 2.602 181 F HA -0.060 4.467 4.527 -0.000 0.000 0.367 181 F C 0.539 176.232 175.800 -0.179 0.000 1.126 181 F CA 0.373 58.270 58.000 -0.173 0.000 1.321 181 F CB 0.209 39.179 39.000 -0.049 0.000 1.094 181 F HN 0.383 nan 8.300 nan 0.000 0.594 182 Y N 2.093 122.541 120.300 0.247 0.000 2.377 182 Y HA 0.431 4.981 4.550 -0.000 0.000 0.330 182 Y C 0.876 176.956 175.900 0.299 0.000 1.108 182 Y CA 0.286 58.538 58.100 0.254 0.000 1.308 182 Y CB 0.371 39.037 38.460 0.344 0.000 1.216 182 Y HN 0.866 nan 8.280 nan 0.000 0.518 183 G N 4.178 113.026 108.800 0.080 0.000 2.741 183 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.222 183 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.222 183 G C -2.160 172.520 174.900 -0.367 0.000 1.364 183 G CA -0.553 44.391 45.100 -0.260 0.000 0.866 183 G HN 0.536 nan 8.290 nan 0.000 0.555 184 P HA 0.275 nan 4.420 nan 0.000 0.257 184 P C 0.260 177.261 177.300 -0.499 0.000 1.281 184 P CA 0.008 62.799 63.100 -0.515 0.000 0.826 184 P CB -0.065 31.361 31.700 -0.457 0.000 1.237 185 F N 1.408 121.263 119.950 -0.159 0.000 2.450 185 F HA 0.235 4.761 4.527 -0.001 0.000 0.339 185 F C 1.321 176.651 175.800 -0.783 0.000 1.146 185 F CA -0.809 56.957 58.000 -0.389 0.000 1.267 185 F CB 0.185 38.982 39.000 -0.337 0.000 1.178 185 F HN -0.232 nan 8.300 nan 0.000 0.585 186 V N -1.423 118.192 119.914 -0.499 0.000 2.914 186 V HA 0.515 4.634 4.120 -0.001 0.000 0.314 186 V C -0.861 174.987 176.094 -0.409 0.000 1.084 186 V CA -1.193 60.815 62.300 -0.487 0.000 0.963 186 V CB 1.943 33.665 31.823 -0.169 0.000 1.025 186 V HN 0.689 nan 8.190 nan 0.000 0.432 187 D N 2.452 122.762 120.400 -0.150 0.000 2.845 187 D HA 0.319 4.959 4.640 -0.001 0.000 0.235 187 D C 0.246 176.647 176.300 0.169 0.000 1.158 187 D CA -0.223 53.847 54.000 0.116 0.000 0.990 187 D CB -0.340 40.690 40.800 0.382 0.000 1.094 187 D HN 0.876 nan 8.370 nan 0.000 0.486 188 R N -1.368 119.162 120.500 0.050 0.000 2.734 188 R HA 0.374 4.714 4.340 -0.001 0.000 0.271 188 R C -0.789 175.508 176.300 -0.005 0.000 1.021 188 R CA -1.012 55.113 56.100 0.041 0.000 0.893 188 R CB 0.756 31.087 30.300 0.051 0.000 1.244 188 R HN -0.170 nan 8.270 nan 0.000 0.464 189 Q N 2.091 121.886 119.800 -0.010 0.000 2.324 189 Q HA 0.148 4.487 4.340 -0.001 0.000 0.257 189 Q C -0.400 175.595 176.000 -0.008 0.000 1.080 189 Q CA 0.465 56.260 55.803 -0.014 0.000 0.907 189 Q CB 1.353 30.082 28.738 -0.015 0.000 1.274 189 Q HN 0.777 nan 8.270 nan 0.000 0.434 190 T N -2.198 112.353 114.554 -0.004 0.000 2.807 190 T HA 0.584 4.934 4.350 -0.001 0.000 0.277 190 T C 0.874 175.580 174.700 0.010 0.000 1.006 190 T CA -0.240 61.861 62.100 0.003 0.000 1.006 190 T CB 1.172 70.043 68.868 0.004 0.000 1.274 190 T HN 0.325 nan 8.240 nan 0.000 0.569 191 A N 0.212 123.040 122.820 0.014 0.000 2.259 191 A HA 0.089 4.409 4.320 -0.001 0.000 0.212 191 A C 1.309 178.918 177.584 0.042 0.000 1.178 191 A CA 0.448 52.498 52.037 0.023 0.000 0.734 191 A CB -1.355 17.657 19.000 0.019 0.000 0.774 191 A HN 0.867 nan 8.150 nan 0.000 0.481 192 Q N -0.621 119.214 119.800 0.058 0.000 2.326 192 Q HA 0.342 4.682 4.340 -0.001 0.000 0.314 192 Q C -0.170 175.910 176.000 0.133 0.000 1.091 192 Q CA 0.583 56.458 55.803 0.120 0.000 0.974 192 Q CB 0.183 29.030 28.738 0.182 0.000 1.220 192 Q HN 0.512 nan 8.270 nan 0.000 0.398 193 A N 1.645 124.581 122.820 0.193 0.000 2.572 193 A HA 0.733 5.053 4.320 -0.001 0.000 0.295 193 A C -0.992 176.761 177.584 0.281 0.000 1.072 193 A CA -0.466 51.668 52.037 0.161 0.000 0.691 193 A CB 1.569 20.625 19.000 0.094 0.000 1.291 193 A HN 1.039 nan 8.150 nan 0.000 0.404 194 A N 0.574 123.520 122.820 0.210 0.000 2.462 194 A HA 0.542 4.861 4.320 -0.001 0.000 0.243 194 A C 0.942 178.636 177.584 0.183 0.000 1.076 194 A CA 0.519 52.718 52.037 0.270 0.000 0.773 194 A CB -0.277 18.811 19.000 0.145 0.000 1.010 194 A HN 2.022 nan 8.150 nan 0.000 0.493 195 G N 0.796 109.706 108.800 0.185 0.000 2.651 195 G HA2 0.446 4.405 3.960 -0.001 0.000 0.260 195 G HA3 0.446 4.405 3.960 -0.001 0.000 0.260 195 G C 0.522 175.468 174.900 0.077 0.000 1.216 195 G CA 0.268 45.433 45.100 0.109 0.000 0.913 195 G HN 1.304 nan 8.290 nan 0.000 0.535 196 T N -1.327 113.258 114.554 0.052 0.000 2.946 196 T HA 0.252 4.602 4.350 -0.001 0.000 0.311 196 T C -0.269 174.446 174.700 0.026 0.000 1.063 196 T CA -0.177 61.943 62.100 0.033 0.000 1.139 196 T CB 1.314 70.197 68.868 0.026 0.000 0.994 196 T HN 0.436 nan 8.240 nan 0.000 0.547 197 D N 0.712 121.118 120.400 0.011 0.000 2.272 197 D HA 0.604 5.243 4.640 -0.001 0.000 0.247 197 D C -0.051 176.238 176.300 -0.019 0.000 0.990 197 D CA -0.359 53.636 54.000 -0.009 0.000 0.931 197 D CB 1.791 42.581 40.800 -0.018 0.000 1.195 197 D HN 0.856 nan 8.370 nan 0.000 0.477 198 T N -1.652 112.879 114.554 -0.038 0.000 2.930 198 T HA 0.569 4.918 4.350 -0.001 0.000 0.290 198 T C -0.092 174.534 174.700 -0.123 0.000 1.052 198 T CA -0.854 61.217 62.100 -0.050 0.000 1.017 198 T CB 1.153 70.009 68.868 -0.019 0.000 1.137 198 T HN 0.207 nan 8.240 nan 0.000 0.511 199 T N 1.654 116.074 114.554 -0.223 0.000 2.907 199 T HA 0.345 4.695 4.350 -0.001 0.000 0.298 199 T C 0.433 174.916 174.700 -0.361 0.000 1.017 199 T CA -0.326 61.522 62.100 -0.420 0.000 1.118 199 T CB -0.075 68.233 68.868 -0.934 0.000 0.948 199 T HN 0.491 nan 8.240 nan 0.000 0.531 200 I N 3.811 124.212 120.570 -0.281 0.000 2.243 200 I HA 0.063 4.233 4.170 -0.001 0.000 0.297 200 I C 1.723 177.755 176.117 -0.142 0.000 1.161 200 I CA -0.254 60.945 61.300 -0.169 0.000 1.298 200 I CB -0.002 37.923 38.000 -0.124 0.000 1.475 200 I HN 0.742 nan 8.210 nan 0.000 0.561 201 T N 4.389 118.904 114.554 -0.065 0.000 2.665 201 T HA -0.242 4.108 4.350 -0.001 0.000 0.268 201 T C 1.878 176.618 174.700 0.066 0.000 1.035 201 T CA 1.501 63.685 62.100 0.141 0.000 1.151 201 T CB -0.130 68.934 68.868 0.327 0.000 0.862 201 T HN 0.520 nan 8.240 nan 0.000 0.438 202 L N 1.968 123.144 121.223 -0.078 0.000 2.013 202 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 202 L C 1.879 178.740 176.870 -0.015 0.000 1.073 202 L CA 1.858 56.628 54.840 -0.118 0.000 0.753 202 L CB -0.809 41.056 42.059 -0.323 0.000 0.890 202 L HN 0.117 nan 8.230 nan 0.000 0.432 203 N N -0.844 117.851 118.700 -0.008 0.000 2.216 203 N HA -0.102 4.638 4.740 -0.001 0.000 0.183 203 N C 1.877 177.459 175.510 0.120 0.000 1.017 203 N CA 1.534 54.619 53.050 0.059 0.000 0.861 203 N CB -0.541 37.962 38.487 0.028 0.000 0.986 203 N HN 0.281 nan 8.380 nan 0.000 0.428 204 V N 1.547 121.512 119.914 0.084 0.000 2.295 204 V HA -0.181 3.939 4.120 -0.001 0.000 0.246 204 V C 2.329 178.542 176.094 0.197 0.000 1.049 204 V CA 1.243 63.633 62.300 0.149 0.000 1.024 204 V CB -0.590 31.338 31.823 0.176 0.000 0.648 204 V HN 0.232 nan 8.190 nan 0.000 0.447 205 L N 0.063 121.371 121.223 0.141 0.000 2.042 205 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 205 L C 2.764 179.755 176.870 0.202 0.000 1.076 205 L CA 1.631 56.538 54.840 0.111 0.000 0.749 205 L CB -0.846 41.270 42.059 0.095 0.000 0.893 205 L HN 0.364 nan 8.230 nan 0.000 0.432 206 A N -0.607 122.329 122.820 0.194 0.000 1.917 206 A HA -0.299 4.021 4.320 -0.001 0.000 0.219 206 A C 2.020 179.706 177.584 0.170 0.000 1.182 206 A CA 1.960 54.105 52.037 0.180 0.000 0.633 206 A CB -1.142 17.925 19.000 0.111 0.000 0.819 206 A HN 0.658 nan 8.150 nan 0.000 0.448 207 W N 0.491 121.764 121.300 -0.046 0.000 2.388 207 W HA -0.061 4.598 4.660 -0.001 0.000 0.294 207 W C 1.726 178.093 176.519 -0.252 0.000 1.212 207 W CA 1.595 58.829 57.345 -0.186 0.000 1.271 207 W CB -0.243 29.148 29.460 -0.115 0.000 1.126 207 W HN 0.248 nan 8.180 nan 0.000 0.535 208 L N -0.665 120.464 121.223 -0.157 0.000 2.083 208 L HA -0.256 4.084 4.340 -0.001 0.000 0.209 208 L C 2.266 178.947 176.870 -0.316 0.000 1.083 208 L CA 1.402 55.980 54.840 -0.438 0.000 0.752 208 L CB -1.138 40.668 42.059 -0.421 0.000 0.899 208 L HN 0.009 nan 8.230 nan 0.000 0.433 209 Y N -0.182 120.012 120.300 -0.177 0.000 2.181 209 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 209 Y C 2.674 178.428 175.900 -0.243 0.000 1.146 209 Y CA 1.102 59.107 58.100 -0.158 0.000 1.164 209 Y CB -0.444 37.945 38.460 -0.118 0.000 0.982 209 Y HN 0.141 nan 8.280 nan 0.000 0.515 210 A N 0.251 122.949 122.820 -0.203 0.000 1.883 210 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 210 A C 2.434 179.675 177.584 -0.573 0.000 1.186 210 A CA 1.998 53.763 52.037 -0.454 0.000 0.624 210 A CB -1.328 17.199 19.000 -0.788 0.000 0.822 210 A HN 0.438 nan 8.150 nan 0.000 0.444 211 A N -0.598 121.825 122.820 -0.662 0.000 1.883 211 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 211 A C 2.256 179.665 177.584 -0.292 0.000 1.186 211 A CA 2.004 53.713 52.037 -0.546 0.000 0.624 211 A CB -1.108 17.545 19.000 -0.578 0.000 0.822 211 A HN 0.460 nan 8.150 nan 0.000 0.444 212 V N 0.178 119.968 119.914 -0.207 0.000 2.332 212 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 212 V C 2.427 178.431 176.094 -0.151 0.000 1.055 212 V CA 2.110 64.296 62.300 -0.189 0.000 1.038 212 V CB -0.731 30.990 31.823 -0.170 0.000 0.651 212 V HN 0.578 nan 8.190 nan 0.000 0.450 213 I N 0.390 120.882 120.570 -0.131 0.000 2.264 213 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 213 I C 2.047 178.102 176.117 -0.102 0.000 1.111 213 I CA 1.479 62.721 61.300 -0.096 0.000 1.382 213 I CB -0.433 37.520 38.000 -0.077 0.000 1.060 213 I HN 0.367 nan 8.210 nan 0.000 0.418 214 N N 0.688 119.297 118.700 -0.153 0.000 2.461 214 N HA -0.004 4.736 4.740 -0.001 0.000 0.188 214 N C 1.294 176.743 175.510 -0.102 0.000 1.134 214 N CA 1.032 54.007 53.050 -0.124 0.000 0.878 214 N CB 0.697 39.077 38.487 -0.178 0.000 0.972 214 N HN 0.535 nan 8.380 nan 0.000 0.456 215 G N 0.900 109.631 108.800 -0.114 0.000 2.157 215 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.239 215 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.239 215 G C -0.347 174.492 174.900 -0.101 0.000 0.982 215 G CA -0.242 44.800 45.100 -0.096 0.000 0.650 215 G HN 0.275 nan 8.290 nan 0.000 0.527 216 D N 0.603 120.924 120.400 -0.132 0.000 2.443 216 D HA 0.515 5.154 4.640 -0.001 0.000 0.221 216 D C 1.426 177.537 176.300 -0.316 0.000 1.097 216 D CA -0.434 53.506 54.000 -0.101 0.000 0.865 216 D CB 0.286 41.053 40.800 -0.056 0.000 1.034 216 D HN 0.598 nan 8.370 nan 0.000 0.511 217 R N 3.691 123.919 120.500 -0.454 0.000 2.527 217 R HA 0.089 4.428 4.340 -0.001 0.000 0.402 217 R C 1.362 177.134 176.300 -0.880 0.000 0.933 217 R CA -0.510 55.058 56.100 -0.886 0.000 1.171 217 R CB -0.638 29.362 30.300 -0.500 0.000 1.612 217 R HN 0.360 nan 8.270 nan 0.000 0.546 218 W N 1.431 122.431 121.300 -0.500 0.000 2.364 218 W HA -0.146 4.514 4.660 -0.000 0.000 0.281 218 W C 0.527 176.902 176.519 -0.242 0.000 1.219 218 W CA 0.493 57.678 57.345 -0.266 0.000 1.220 218 W CB -0.754 28.650 29.460 -0.093 0.000 1.127 218 W HN 0.115 nan 8.180 nan 0.000 0.556 219 F N 0.568 120.127 119.950 -0.653 0.000 2.780 219 F HA 0.375 4.902 4.527 -0.001 0.000 0.299 219 F C 0.981 176.616 175.800 -0.275 0.000 1.146 219 F CA -0.799 56.838 58.000 -0.606 0.000 1.428 219 F CB -1.417 36.912 39.000 -1.118 0.000 1.115 219 F HN -0.340 nan 8.300 nan 0.000 0.583 220 L N 2.581 123.505 121.223 -0.497 0.000 2.439 220 L HA 0.189 4.528 4.340 -0.001 0.000 0.269 220 L C -0.148 176.662 176.870 -0.100 0.000 1.179 220 L CA -0.364 54.320 54.840 -0.260 0.000 0.828 220 L CB 0.464 42.308 42.059 -0.358 0.000 1.106 220 L HN 0.364 nan 8.230 nan 0.000 0.467 221 N N 0.555 119.232 118.700 -0.038 0.000 2.761 221 N HA 0.350 5.089 4.740 -0.001 0.000 0.283 221 N C -0.236 175.210 175.510 -0.107 0.000 1.377 221 N CA -1.171 51.876 53.050 -0.005 0.000 0.791 221 N CB 0.760 39.350 38.487 0.172 0.000 1.540 221 N HN 0.470 nan 8.380 nan 0.000 0.539 222 R N -0.959 119.360 120.500 -0.302 0.000 2.356 222 R HA 0.366 4.706 4.340 -0.001 0.000 0.234 222 R C -0.769 175.148 176.300 -0.640 0.000 0.929 222 R CA -0.109 55.693 56.100 -0.496 0.000 1.084 222 R CB -0.583 29.358 30.300 -0.599 0.000 1.105 222 R HN 0.287 nan 8.270 nan 0.000 0.515 223 F N -0.656 119.288 119.950 -0.010 0.000 2.613 223 F HA 0.584 5.111 4.527 -0.000 0.000 0.342 223 F C 0.643 176.442 175.800 -0.002 0.000 1.066 223 F CA -0.996 57.004 58.000 -0.001 0.000 1.002 223 F CB 1.898 40.902 39.000 0.007 0.000 1.319 223 F HN -0.214 nan 8.300 nan 0.000 0.495 224 T N -1.124 113.569 114.554 0.231 0.000 2.804 224 T HA 0.622 4.971 4.350 -0.001 0.000 0.290 224 T C -1.253 173.519 174.700 0.120 0.000 1.099 224 T CA -0.355 61.819 62.100 0.125 0.000 1.011 224 T CB 1.830 70.744 68.868 0.077 0.000 1.291 224 T HN 0.750 nan 8.240 nan 0.000 0.523 225 T N 0.534 115.142 114.554 0.089 0.000 2.883 225 T HA 0.650 5.000 4.350 -0.001 0.000 0.301 225 T C -0.374 174.376 174.700 0.084 0.000 1.158 225 T CA -0.295 61.863 62.100 0.097 0.000 1.007 225 T CB 1.309 70.260 68.868 0.138 0.000 1.186 225 T HN 0.954 nan 8.240 nan 0.000 0.499 226 T N 1.904 116.511 114.554 0.088 0.000 2.882 226 T HA 0.360 4.709 4.350 -0.001 0.000 0.287 226 T C 1.431 176.203 174.700 0.120 0.000 1.014 226 T CA -0.717 61.432 62.100 0.082 0.000 1.049 226 T CB 0.784 69.693 68.868 0.069 0.000 1.001 226 T HN 0.414 nan 8.240 nan 0.000 0.525 227 L N 1.491 122.777 121.223 0.105 0.000 2.046 227 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 227 L C 2.437 179.420 176.870 0.188 0.000 1.077 227 L CA 1.805 56.731 54.840 0.145 0.000 0.747 227 L CB -1.326 40.792 42.059 0.100 0.000 0.896 227 L HN 0.898 nan 8.230 nan 0.000 0.432 228 N N -0.795 117.979 118.700 0.124 0.000 2.120 228 N HA -0.211 4.529 4.740 -0.001 0.000 0.188 228 N C 1.286 176.854 175.510 0.096 0.000 1.024 228 N CA 1.560 54.670 53.050 0.101 0.000 0.852 228 N CB 0.009 38.536 38.487 0.067 0.000 1.003 228 N HN 0.414 nan 8.380 nan 0.000 0.424 229 D N 0.005 120.465 120.400 0.099 0.000 2.178 229 D HA -0.130 4.510 4.640 -0.001 0.000 0.202 229 D C 1.552 177.905 176.300 0.089 0.000 0.974 229 D CA 0.470 54.516 54.000 0.077 0.000 0.841 229 D CB -0.361 40.482 40.800 0.072 0.000 0.953 229 D HN 0.316 nan 8.370 nan 0.000 0.478 230 F N 1.963 121.930 119.950 0.027 0.000 2.113 230 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 230 F C 1.872 177.694 175.800 0.037 0.000 1.103 230 F CA 1.103 59.117 58.000 0.025 0.000 1.248 230 F CB -0.223 38.796 39.000 0.032 0.000 0.999 230 F HN -0.174 nan 8.300 nan 0.000 0.475 231 N N 0.975 119.685 118.700 0.016 0.000 2.166 231 N HA -0.155 4.585 4.740 -0.001 0.000 0.186 231 N C 2.065 177.517 175.510 -0.097 0.000 1.019 231 N CA 1.477 54.495 53.050 -0.053 0.000 0.856 231 N CB -0.590 37.962 38.487 0.110 0.000 0.993 231 N HN 0.370 nan 8.380 nan 0.000 0.426 232 L N 0.210 121.400 121.223 -0.055 0.000 2.012 232 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 232 L C 2.174 178.994 176.870 -0.083 0.000 1.073 232 L CA 0.999 55.811 54.840 -0.048 0.000 0.748 232 L CB -0.444 41.604 42.059 -0.020 0.000 0.891 232 L HN -0.006 nan 8.230 nan 0.000 0.431 233 V N -0.416 119.419 119.914 -0.133 0.000 2.346 233 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 233 V C 2.669 178.697 176.094 -0.110 0.000 1.037 233 V CA 1.619 63.861 62.300 -0.098 0.000 1.029 233 V CB -0.839 30.926 31.823 -0.097 0.000 0.663 233 V HN 0.445 nan 8.190 nan 0.000 0.454 234 A N -0.373 122.191 122.820 -0.427 0.000 1.933 234 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 234 A C 2.224 179.773 177.584 -0.058 0.000 1.175 234 A CA 2.057 53.841 52.037 -0.422 0.000 0.628 234 A CB -0.530 17.943 19.000 -0.877 0.000 0.814 234 A HN 0.502 nan 8.150 nan 0.000 0.444 235 M N -0.513 119.054 119.600 -0.055 0.000 2.279 235 M HA -0.148 4.332 4.480 -0.001 0.000 0.264 235 M C 2.071 178.372 176.300 0.002 0.000 1.062 235 M CA 1.857 57.169 55.300 0.020 0.000 1.099 235 M CB -0.246 32.359 32.600 0.008 0.000 1.394 235 M HN 0.494 nan 8.290 nan 0.000 0.426 236 K N 0.636 121.001 120.400 -0.060 0.000 2.209 236 K HA -0.160 4.160 4.320 -0.001 0.000 0.204 236 K C 0.655 177.075 176.600 -0.299 0.000 1.048 236 K CA 1.626 57.794 56.287 -0.199 0.000 0.940 236 K CB -0.350 31.955 32.500 -0.325 0.000 0.729 236 K HN 0.361 nan 8.250 nan 0.000 0.451 237 Y N 0.643 120.922 120.300 -0.035 0.000 2.583 237 Y HA 0.232 4.781 4.550 -0.001 0.000 0.294 237 Y C 0.042 176.049 175.900 0.177 0.000 1.170 237 Y CA -0.180 57.938 58.100 0.029 0.000 1.265 237 Y CB -0.197 38.217 38.460 -0.077 0.000 1.119 237 Y HN 0.201 nan 8.280 nan 0.000 0.522 238 N N -0.522 118.304 118.700 0.209 0.000 2.747 238 N HA -0.269 4.470 4.740 -0.001 0.000 0.249 238 N C -1.225 174.422 175.510 0.230 0.000 1.107 238 N CA 0.346 53.498 53.050 0.169 0.000 0.707 238 N CB -1.698 36.850 38.487 0.102 0.000 1.054 238 N HN 0.279 nan 8.380 nan 0.000 0.555 239 Y N 0.859 121.190 120.300 0.052 0.000 2.301 239 Y HA 0.319 4.869 4.550 -0.001 0.000 0.325 239 Y C 1.170 177.102 175.900 0.055 0.000 1.203 239 Y CA -0.557 57.573 58.100 0.051 0.000 1.255 239 Y CB 0.637 39.128 38.460 0.052 0.000 1.232 239 Y HN 0.030 nan 8.280 nan 0.000 0.501 240 E N 4.442 124.722 120.200 0.133 0.000 2.413 240 E HA 0.053 4.402 4.350 -0.001 0.000 0.263 240 E C -2.336 174.393 176.600 0.215 0.000 1.015 240 E CA -1.494 54.987 56.400 0.136 0.000 0.916 240 E CB 0.265 30.021 29.700 0.093 0.000 0.947 240 E HN 0.305 nan 8.360 nan 0.000 0.440 241 P HA -0.015 nan 4.420 nan 0.000 0.266 241 P C -0.247 177.242 177.300 0.315 0.000 1.195 241 P CA -0.210 63.022 63.100 0.220 0.000 0.768 241 P CB 0.352 32.145 31.700 0.154 0.000 0.838 242 L N 3.984 125.437 121.223 0.384 0.000 2.305 242 L HA 0.386 4.725 4.340 -0.001 0.000 0.281 242 L C 0.549 177.573 176.870 0.256 0.000 1.085 242 L CA 0.418 55.512 54.840 0.423 0.000 0.813 242 L CB 0.487 42.771 42.059 0.375 0.000 1.157 242 L HN 0.478 nan 8.230 nan 0.000 0.436 243 T N 0.587 115.223 114.554 0.136 0.000 2.948 243 T HA 0.295 4.644 4.350 -0.001 0.000 0.285 243 T C 0.705 175.382 174.700 -0.038 0.000 1.019 243 T CA -0.677 61.380 62.100 -0.072 0.000 1.013 243 T CB 1.175 69.848 68.868 -0.325 0.000 1.117 243 T HN 0.577 nan 8.240 nan 0.000 0.533 244 Q N 0.233 120.017 119.800 -0.028 0.000 2.226 244 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 244 Q C 1.599 177.593 176.000 -0.010 0.000 0.975 244 Q CA 1.722 57.524 55.803 -0.003 0.000 0.866 244 Q CB -0.439 28.301 28.738 0.004 0.000 0.915 244 Q HN 0.852 nan 8.270 nan 0.000 0.440 245 D N -0.268 120.092 120.400 -0.066 0.000 2.117 245 D HA -0.168 4.472 4.640 -0.001 0.000 0.197 245 D C 1.669 177.997 176.300 0.048 0.000 0.987 245 D CA 1.056 55.033 54.000 -0.038 0.000 0.829 245 D CB 0.148 40.899 40.800 -0.082 0.000 0.961 245 D HN 0.267 nan 8.370 nan 0.000 0.460 246 H N -0.468 118.635 119.070 0.056 0.000 2.353 246 H HA -0.051 4.505 4.556 -0.001 0.000 0.300 246 H C 2.403 177.741 175.328 0.017 0.000 1.090 246 H CA 0.945 57.021 56.048 0.047 0.000 1.327 246 H CB -0.756 29.041 29.762 0.058 0.000 1.383 246 H HN 0.100 nan 8.280 nan 0.000 0.508 247 V N 1.460 121.455 119.914 0.134 0.000 2.332 247 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 247 V C 2.013 178.125 176.094 0.031 0.000 1.055 247 V CA 2.141 64.475 62.300 0.057 0.000 1.038 247 V CB -0.348 31.497 31.823 0.035 0.000 0.651 247 V HN 0.348 nan 8.190 nan 0.000 0.450 248 D N -0.176 120.247 120.400 0.039 0.000 2.144 248 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 248 D C 2.033 178.347 176.300 0.024 0.000 0.978 248 D CA 1.190 55.207 54.000 0.028 0.000 0.833 248 D CB -0.217 40.606 40.800 0.038 0.000 0.961 248 D HN 0.411 nan 8.370 nan 0.000 0.470 249 I N 0.404 121.005 120.570 0.052 0.000 2.361 249 I HA -0.204 3.966 4.170 -0.001 0.000 0.251 249 I C 1.903 177.954 176.117 -0.110 0.000 1.133 249 I CA 0.655 61.973 61.300 0.029 0.000 1.413 249 I CB -0.053 38.010 38.000 0.105 0.000 1.073 249 I HN -0.040 nan 8.210 nan 0.000 0.424 250 L N 0.429 121.590 121.223 -0.104 0.000 2.610 250 L HA 0.045 4.385 4.340 -0.001 0.000 0.232 250 L C 2.416 179.139 176.870 -0.244 0.000 1.149 250 L CA 0.247 54.959 54.840 -0.212 0.000 0.872 250 L CB -0.739 41.234 42.059 -0.144 0.000 0.992 250 L HN 0.251 nan 8.230 nan 0.000 0.447 251 G N 1.486 110.203 108.800 -0.138 0.000 2.491 251 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.218 251 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.218 251 G C -0.622 174.193 174.900 -0.143 0.000 1.180 251 G CA 0.695 45.728 45.100 -0.111 0.000 0.774 251 G HN 0.310 nan 8.290 nan 0.000 0.562 252 P HA -0.072 nan 4.420 nan 0.000 0.216 252 P C 2.077 179.264 177.300 -0.188 0.000 1.153 252 P CA 0.804 63.831 63.100 -0.122 0.000 0.858 252 P CB -0.152 31.494 31.700 -0.089 0.000 0.789 253 L N -1.169 119.860 121.223 -0.322 0.000 2.056 253 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 253 L C 2.635 179.182 176.870 -0.539 0.000 1.078 253 L CA 1.698 56.252 54.840 -0.476 0.000 0.749 253 L CB -1.112 40.493 42.059 -0.755 0.000 0.901 253 L HN 0.063 nan 8.230 nan 0.000 0.433 254 S N -0.179 115.186 115.700 -0.559 0.000 2.368 254 S HA -0.179 4.291 4.470 -0.001 0.000 0.225 254 S C 2.142 176.693 174.600 -0.083 0.000 1.030 254 S CA 1.236 59.299 58.200 -0.229 0.000 0.999 254 S CB -0.077 63.046 63.200 -0.127 0.000 0.844 254 S HN 0.421 nan 8.310 nan 0.000 0.459 255 A N 0.773 123.533 122.820 -0.101 0.000 1.877 255 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 255 A C 2.153 179.712 177.584 -0.042 0.000 1.186 255 A CA 2.026 54.030 52.037 -0.054 0.000 0.620 255 A CB -1.089 17.881 19.000 -0.050 0.000 0.822 255 A HN 0.604 nan 8.150 nan 0.000 0.443 256 Q N 0.043 119.807 119.800 -0.060 0.000 2.124 256 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 256 Q C 2.011 178.000 176.000 -0.018 0.000 0.977 256 Q CA 2.677 58.457 55.803 -0.039 0.000 0.850 256 Q CB -0.575 28.132 28.738 -0.051 0.000 0.901 256 Q HN 0.726 nan 8.270 nan 0.000 0.429 257 T N -4.820 109.736 114.554 0.004 0.000 3.057 257 T HA 0.286 4.635 4.350 -0.001 0.000 0.254 257 T C 1.346 176.060 174.700 0.023 0.000 1.094 257 T CA 0.437 62.559 62.100 0.036 0.000 1.088 257 T CB 0.035 68.982 68.868 0.132 0.000 0.934 257 T HN 0.475 nan 8.240 nan 0.000 0.497 258 G N 1.588 110.400 108.800 0.019 0.000 2.179 258 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.257 258 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.257 258 G C -0.036 174.877 174.900 0.022 0.000 1.010 258 G CA 0.296 45.402 45.100 0.009 0.000 0.736 258 G HN 0.674 nan 8.290 nan 0.000 0.513 259 I N 1.174 121.790 120.570 0.076 0.000 2.382 259 I HA 0.569 4.739 4.170 -0.001 0.000 0.285 259 I C 0.914 177.109 176.117 0.130 0.000 1.007 259 I CA -0.657 60.687 61.300 0.074 0.000 1.142 259 I CB 1.566 39.596 38.000 0.051 0.000 1.289 259 I HN 0.282 nan 8.210 nan 0.000 0.453 260 A N 5.477 128.334 122.820 0.062 0.000 2.531 260 A HA 0.163 4.483 4.320 -0.001 0.000 0.236 260 A C 1.391 179.032 177.584 0.095 0.000 1.062 260 A CA -0.189 51.885 52.037 0.063 0.000 0.760 260 A CB 0.420 19.436 19.000 0.025 0.000 0.995 260 A HN 0.646 nan 8.150 nan 0.000 0.501 261 V N 2.404 122.380 119.914 0.102 0.000 2.282 261 V HA -0.246 3.873 4.120 -0.001 0.000 0.249 261 V C 2.327 178.415 176.094 -0.009 0.000 1.057 261 V CA 2.071 64.430 62.300 0.099 0.000 1.032 261 V CB -0.862 30.992 31.823 0.051 0.000 0.645 261 V HN 0.816 nan 8.190 nan 0.000 0.447 262 L N 0.051 121.262 121.223 -0.019 0.000 2.191 262 L HA -0.131 4.209 4.340 -0.001 0.000 0.212 262 L C 2.080 178.935 176.870 -0.025 0.000 1.103 262 L CA 1.696 56.511 54.840 -0.041 0.000 0.769 262 L CB -1.377 40.680 42.059 -0.003 0.000 0.908 262 L HN 0.386 nan 8.230 nan 0.000 0.438 263 D N -1.510 118.884 120.400 -0.010 0.000 2.117 263 D HA -0.200 4.440 4.640 -0.001 0.000 0.198 263 D C 2.181 178.455 176.300 -0.044 0.000 0.982 263 D CA 0.905 54.899 54.000 -0.010 0.000 0.828 263 D CB -0.088 40.703 40.800 -0.016 0.000 0.967 263 D HN 0.154 nan 8.370 nan 0.000 0.464 264 M N 0.197 119.743 119.600 -0.090 0.000 2.175 264 M HA -0.092 4.387 4.480 -0.001 0.000 0.264 264 M C 1.867 178.081 176.300 -0.143 0.000 1.063 264 M CA 1.131 56.329 55.300 -0.170 0.000 1.119 264 M CB -0.358 32.030 32.600 -0.353 0.000 1.377 264 M HN 0.031 nan 8.290 nan 0.000 0.415 265 C N -0.212 118.977 119.300 -0.184 0.000 2.425 265 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 265 C C 2.861 177.858 174.990 0.012 0.000 1.280 265 C CA 0.875 59.721 59.018 -0.288 0.000 1.744 265 C CB -1.813 25.557 27.740 -0.616 0.000 1.989 265 C HN 0.705 nan 8.230 nan 0.000 0.491 266 A N 0.647 123.488 122.820 0.035 0.000 1.908 266 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 266 A C 2.369 180.000 177.584 0.079 0.000 1.181 266 A CA 2.234 54.328 52.037 0.094 0.000 0.627 266 A CB -0.883 18.186 19.000 0.115 0.000 0.818 266 A HN 0.592 nan 8.150 nan 0.000 0.445 267 A N -0.669 122.177 122.820 0.044 0.000 1.902 267 A HA -0.012 4.308 4.320 -0.001 0.000 0.217 267 A C 2.120 179.706 177.584 0.003 0.000 1.181 267 A CA 1.725 53.789 52.037 0.046 0.000 0.623 267 A CB -0.596 18.447 19.000 0.073 0.000 0.818 267 A HN 0.677 nan 8.150 nan 0.000 0.443 268 L N 0.049 121.264 121.223 -0.012 0.000 2.046 268 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 268 L C 2.248 179.097 176.870 -0.035 0.000 1.077 268 L CA 2.626 57.452 54.840 -0.023 0.000 0.747 268 L CB -0.716 41.387 42.059 0.072 0.000 0.896 268 L HN 0.472 nan 8.230 nan 0.000 0.432 269 K N -0.536 119.899 120.400 0.059 0.000 2.032 269 K HA -0.254 4.066 4.320 -0.001 0.000 0.209 269 K C 2.166 178.712 176.600 -0.090 0.000 1.048 269 K CA 1.975 58.241 56.287 -0.035 0.000 0.927 269 K CB -0.220 32.326 32.500 0.076 0.000 0.712 269 K HN 0.478 nan 8.250 nan 0.000 0.441 270 E N 0.236 120.421 120.200 -0.025 0.000 2.110 270 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 270 E C 2.047 178.630 176.600 -0.028 0.000 0.988 270 E CA 1.025 57.419 56.400 -0.009 0.000 0.804 270 E CB 0.013 29.742 29.700 0.049 0.000 0.745 270 E HN 0.323 nan 8.360 nan 0.000 0.458 271 L N 0.485 121.680 121.223 -0.048 0.000 2.083 271 L HA -0.200 4.140 4.340 -0.001 0.000 0.209 271 L C 2.444 179.227 176.870 -0.146 0.000 1.083 271 L CA 0.764 55.575 54.840 -0.050 0.000 0.752 271 L CB -0.259 41.750 42.059 -0.084 0.000 0.899 271 L HN 0.215 nan 8.230 nan 0.000 0.433 272 L N -0.984 120.051 121.223 -0.313 0.000 2.056 272 L HA -0.210 4.130 4.340 -0.001 0.000 0.207 272 L C 2.576 179.104 176.870 -0.571 0.000 1.078 272 L CA 1.293 55.742 54.840 -0.652 0.000 0.749 272 L CB -0.414 40.978 42.059 -1.112 0.000 0.901 272 L HN 0.325 nan 8.230 nan 0.000 0.433 273 Q N -0.360 119.249 119.800 -0.319 0.000 2.311 273 Q HA -0.086 4.254 4.340 -0.001 0.000 0.203 273 Q C 1.033 177.031 176.000 -0.004 0.000 0.954 273 Q CA 1.120 56.881 55.803 -0.071 0.000 0.885 273 Q CB 0.145 28.870 28.738 -0.021 0.000 0.963 273 Q HN 0.634 nan 8.270 nan 0.000 0.471 274 N N -1.179 117.511 118.700 -0.017 0.000 2.166 274 N HA 0.184 4.924 4.740 -0.001 0.000 0.213 274 N C 0.112 175.648 175.510 0.042 0.000 1.222 274 N CA 0.098 53.164 53.050 0.026 0.000 0.900 274 N CB 1.622 40.135 38.487 0.044 0.000 1.055 274 N HN 0.147 nan 8.380 nan 0.000 0.515 275 G N 1.581 110.400 108.800 0.031 0.000 2.752 275 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.234 275 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.234 275 G C 0.366 175.345 174.900 0.131 0.000 1.367 275 G CA -0.206 44.931 45.100 0.061 0.000 0.879 275 G HN 0.084 nan 8.290 nan 0.000 0.563 276 M N 0.610 120.300 119.600 0.151 0.000 2.556 276 M HA 0.114 4.594 4.480 -0.001 0.000 0.245 276 M C 1.141 177.454 176.300 0.022 0.000 1.128 276 M CA 0.451 55.889 55.300 0.230 0.000 1.069 276 M CB -0.230 32.520 32.600 0.251 0.000 1.469 276 M HN 0.624 nan 8.290 nan 0.000 0.494 277 N N 1.726 120.431 118.700 0.009 0.000 2.725 277 N HA -0.193 4.547 4.740 -0.001 0.000 0.251 277 N C 0.771 176.219 175.510 -0.104 0.000 1.031 277 N CA 0.977 53.999 53.050 -0.047 0.000 0.720 277 N CB -1.247 37.206 38.487 -0.057 0.000 0.930 277 N HN 0.765 nan 8.380 nan 0.000 0.543 278 G N -1.283 107.475 108.800 -0.071 0.000 2.420 278 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.221 278 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.221 278 G C 0.410 175.251 174.900 -0.100 0.000 1.117 278 G CA 0.524 45.575 45.100 -0.081 0.000 0.657 278 G HN 0.536 nan 8.290 nan 0.000 0.512 279 R N 1.301 121.670 120.500 -0.219 0.000 2.822 279 R HA 0.572 4.911 4.340 -0.001 0.000 0.277 279 R C 0.871 177.182 176.300 0.018 0.000 1.102 279 R CA 0.812 56.751 56.100 -0.268 0.000 1.207 279 R CB 0.197 29.968 30.300 -0.882 0.000 1.139 279 R HN 0.560 nan 8.270 nan 0.000 0.557 280 T N -2.386 112.249 114.554 0.135 0.000 2.924 280 T HA 0.674 5.024 4.350 -0.001 0.000 0.291 280 T C -0.162 174.809 174.700 0.451 0.000 1.045 280 T CA -0.879 61.381 62.100 0.268 0.000 1.015 280 T CB 1.065 70.033 68.868 0.168 0.000 1.103 280 T HN 0.311 nan 8.240 nan 0.000 0.496 281 I N 2.680 123.455 120.570 0.342 0.000 2.418 281 I HA 0.330 4.500 4.170 -0.001 0.000 0.287 281 I C -0.387 175.743 176.117 0.021 0.000 1.008 281 I CA -0.966 60.411 61.300 0.128 0.000 1.104 281 I CB 1.680 39.583 38.000 -0.161 0.000 1.264 281 I HN 0.569 nan 8.210 nan 0.000 0.438 282 L N 6.689 127.864 121.223 -0.079 0.000 3.717 282 L HA -0.239 4.101 4.340 -0.001 0.000 0.414 282 L C 1.289 178.239 176.870 0.133 0.000 1.228 282 L CA 1.543 56.343 54.840 -0.066 0.000 0.918 282 L CB -1.967 39.908 42.059 -0.307 0.000 1.865 282 L HN 1.097 nan 8.230 nan 0.000 0.922 283 G N -1.781 107.103 108.800 0.141 0.000 2.184 283 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.264 283 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.264 283 G C 0.507 175.514 174.900 0.178 0.000 0.975 283 G CA 0.967 46.156 45.100 0.148 0.000 0.642 283 G HN 1.053 nan 8.290 nan 0.000 0.536 284 S N -0.376 115.477 115.700 0.256 0.000 2.578 284 S HA 0.626 5.095 4.470 -0.001 0.000 0.283 284 S C 1.596 176.333 174.600 0.228 0.000 1.195 284 S CA 0.857 59.207 58.200 0.250 0.000 1.050 284 S CB 1.321 64.731 63.200 0.349 0.000 1.012 284 S HN 0.975 nan 8.310 nan 0.000 0.511 285 T N 1.323 115.967 114.554 0.150 0.000 3.060 285 T HA 0.272 4.622 4.350 -0.001 0.000 0.249 285 T C 0.518 175.285 174.700 0.112 0.000 1.079 285 T CA 0.055 62.232 62.100 0.128 0.000 1.013 285 T CB -0.823 68.093 68.868 0.080 0.000 0.975 285 T HN 0.634 nan 8.240 nan 0.000 0.518 286 I N -1.840 118.778 120.570 0.080 0.000 3.002 286 I HA 0.640 4.810 4.170 -0.001 0.000 0.310 286 I C -0.991 175.070 176.117 -0.094 0.000 1.087 286 I CA -1.975 59.332 61.300 0.011 0.000 1.017 286 I CB 1.638 39.618 38.000 -0.033 0.000 1.226 286 I HN -0.170 nan 8.210 nan 0.000 0.443 287 L N 2.514 123.659 121.223 -0.130 0.000 2.283 287 L HA 0.434 4.774 4.340 -0.001 0.000 0.287 287 L C 0.067 176.602 176.870 -0.558 0.000 1.073 287 L CA -0.266 54.392 54.840 -0.302 0.000 0.822 287 L CB 0.475 42.537 42.059 0.006 0.000 1.186 287 L HN 0.659 nan 8.230 nan 0.000 0.436 288 E N 3.012 122.458 120.200 -1.257 0.000 2.338 288 E HA 0.009 4.359 4.350 -0.001 0.000 0.272 288 E C 0.026 176.319 176.600 -0.511 0.000 1.029 288 E CA -0.126 55.711 56.400 -0.939 0.000 0.872 288 E CB 0.854 29.703 29.700 -1.418 0.000 1.015 288 E HN 0.583 nan 8.360 nan 0.000 0.417 289 D N 3.040 123.269 120.400 -0.285 0.000 2.540 289 D HA 0.016 4.656 4.640 -0.001 0.000 0.229 289 D C -0.297 175.925 176.300 -0.130 0.000 1.250 289 D CA -0.017 53.879 54.000 -0.174 0.000 0.817 289 D CB 0.099 40.770 40.800 -0.215 0.000 1.060 289 D HN 0.540 nan 8.370 nan 0.000 0.508 290 E N 0.122 120.231 120.200 -0.152 0.000 2.685 290 E HA 0.189 4.538 4.350 -0.001 0.000 0.208 290 E C -0.829 175.567 176.600 -0.340 0.000 0.996 290 E CA -0.338 55.922 56.400 -0.233 0.000 1.054 290 E CB 0.424 29.945 29.700 -0.298 0.000 1.075 290 E HN 0.143 nan 8.360 nan 0.000 0.460 291 F N 1.292 121.231 119.950 -0.020 0.000 2.477 291 F HA 0.172 4.699 4.527 -0.001 0.000 0.335 291 F C 0.941 176.786 175.800 0.075 0.000 1.130 291 F CA -0.888 57.156 58.000 0.073 0.000 0.948 291 F CB 1.586 40.724 39.000 0.230 0.000 1.154 291 F HN -0.190 nan 8.300 nan 0.000 0.439 292 T N 0.582 115.282 114.554 0.244 0.000 2.874 292 T HA 0.306 4.656 4.350 -0.001 0.000 0.281 292 T C -2.018 172.739 174.700 0.095 0.000 0.994 292 T CA -1.977 60.224 62.100 0.168 0.000 1.015 292 T CB 1.588 70.597 68.868 0.235 0.000 1.028 292 T HN 0.220 nan 8.240 nan 0.000 0.523 293 P HA -0.085 nan 4.420 nan 0.000 0.216 293 P C 1.112 178.205 177.300 -0.347 0.000 1.154 293 P CA 1.249 64.154 63.100 -0.325 0.000 0.865 293 P CB -0.216 31.106 31.700 -0.629 0.000 0.789 294 F N -0.176 119.821 119.950 0.080 0.000 2.186 294 F HA -0.130 4.396 4.527 -0.000 0.000 0.299 294 F C 2.066 177.923 175.800 0.096 0.000 1.090 294 F CA 1.205 59.250 58.000 0.075 0.000 1.307 294 F CB -1.481 37.561 39.000 0.071 0.000 1.019 294 F HN -0.075 nan 8.300 nan 0.000 0.489 295 D N 0.365 120.922 120.400 0.262 0.000 2.123 295 D HA -0.134 4.505 4.640 -0.001 0.000 0.196 295 D C 2.557 178.996 176.300 0.232 0.000 0.992 295 D CA 1.289 55.428 54.000 0.232 0.000 0.833 295 D CB -0.608 40.366 40.800 0.291 0.000 0.954 295 D HN 0.134 nan 8.370 nan 0.000 0.455 296 V N 0.706 120.749 119.914 0.215 0.000 2.307 296 V HA -0.185 3.935 4.120 -0.001 0.000 0.245 296 V C 2.696 178.866 176.094 0.126 0.000 1.045 296 V CA 0.944 63.361 62.300 0.194 0.000 1.024 296 V CB -0.438 31.440 31.823 0.092 0.000 0.651 296 V HN 0.042 nan 8.190 nan 0.000 0.449 297 V N 0.231 120.191 119.914 0.076 0.000 2.295 297 V HA -0.297 3.823 4.120 -0.001 0.000 0.246 297 V C 2.613 178.760 176.094 0.090 0.000 1.049 297 V CA 2.546 64.883 62.300 0.063 0.000 1.024 297 V CB -0.786 31.068 31.823 0.053 0.000 0.648 297 V HN 0.537 nan 8.190 nan 0.000 0.447 298 R N -0.324 120.243 120.500 0.112 0.000 2.083 298 R HA -0.233 4.107 4.340 -0.001 0.000 0.237 298 R C 2.341 178.681 176.300 0.067 0.000 1.137 298 R CA 2.173 58.328 56.100 0.092 0.000 0.951 298 R CB -0.225 30.134 30.300 0.098 0.000 0.851 298 R HN 0.610 nan 8.270 nan 0.000 0.434 299 Q N -0.525 119.319 119.800 0.074 0.000 2.020 299 Q HA -0.113 4.227 4.340 -0.001 0.000 0.198 299 Q C 2.287 178.333 176.000 0.077 0.000 0.974 299 Q CA 1.586 57.416 55.803 0.045 0.000 0.829 299 Q CB 0.078 28.817 28.738 0.001 0.000 0.894 299 Q HN 0.471 nan 8.270 nan 0.000 0.433 300 C N 0.822 120.193 119.300 0.118 0.000 2.522 300 C HA 0.128 4.587 4.460 -0.001 0.000 0.271 300 C C 0.909 175.936 174.990 0.062 0.000 1.425 300 C CA -0.354 58.721 59.018 0.095 0.000 1.751 300 C CB -1.189 26.603 27.740 0.087 0.000 1.775 300 C HN 0.383 nan 8.230 nan 0.000 0.557 301 S N 0.000 115.737 115.700 0.062 0.000 2.498 301 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 301 S CA 0.000 58.234 58.200 0.057 0.000 1.107 301 S CB 0.000 63.232 63.200 0.054 0.000 0.593 301 S HN 0.000 nan 8.310 nan 0.000 0.517