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 3iui_1_B DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQSHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPA 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.829 175.800 0.049 0.000 0.967 4 F CA 0.000 58.015 58.000 0.026 0.000 1.383 4 F CB 0.000 39.011 39.000 0.018 0.000 1.145 5 R N 1.151 121.738 120.500 0.146 0.000 2.159 5 R HA 0.033 3.555 4.340 -1.363 0.000 0.237 5 R C 0.417 176.844 176.300 0.212 0.000 1.131 5 R CA 1.046 57.255 56.100 0.183 0.000 0.982 5 R CB 0.020 30.377 30.300 0.094 0.000 0.868 5 R HN 0.302 nan 8.270 nan 0.000 0.453 6 I N 0.362 121.037 120.570 0.176 0.000 2.433 6 I HA 0.268 3.620 4.170 -1.363 0.000 0.292 6 I C 0.033 176.238 176.117 0.145 0.000 1.001 6 I CA -1.879 59.509 61.300 0.146 0.000 1.119 6 I CB 1.410 39.466 38.000 0.093 0.000 1.289 6 I HN -0.121 nan 8.210 nan 0.000 0.438 7 A N 5.832 128.705 122.820 0.089 0.000 2.545 7 A HA 0.056 3.558 4.320 -1.363 0.000 0.253 7 A C 1.267 178.847 177.584 -0.007 0.000 1.074 7 A CA 0.100 52.157 52.037 0.033 0.000 0.760 7 A CB -0.054 18.956 19.000 0.016 0.000 1.005 7 A HN 0.839 nan 8.150 nan 0.000 0.506 8 Q N 1.260 121.005 119.800 -0.090 0.000 2.197 8 Q HA -0.233 3.289 4.340 -1.363 0.000 0.207 8 Q C 1.344 177.298 176.000 -0.076 0.000 0.984 8 Q CA 1.813 57.538 55.803 -0.131 0.000 0.869 8 Q CB -0.049 28.508 28.738 -0.302 0.000 0.906 8 Q HN 1.007 nan 8.270 nan 0.000 0.426 9 D N -0.448 119.914 120.400 -0.064 0.000 2.183 9 D HA -0.102 3.720 4.640 -1.363 0.000 0.203 9 D C 1.797 178.083 176.300 -0.023 0.000 0.969 9 D CA 0.794 54.769 54.000 -0.043 0.000 0.842 9 D CB -0.225 40.551 40.800 -0.039 0.000 0.957 9 D HN 0.111 nan 8.370 nan 0.000 0.484 10 V N 1.102 121.009 119.914 -0.013 0.000 2.358 10 V HA -0.196 3.106 4.120 -1.363 0.000 0.246 10 V C 2.929 179.026 176.094 0.003 0.000 1.047 10 V CA 1.069 63.368 62.300 -0.001 0.000 1.035 10 V CB -0.244 31.584 31.823 0.009 0.000 0.658 10 V HN 0.099 nan 8.190 nan 0.000 0.452 11 V N 0.411 120.329 119.914 0.007 0.000 2.343 11 V HA -0.238 3.065 4.120 -1.363 0.000 0.247 11 V C 2.689 178.783 176.094 0.001 0.000 1.051 11 V CA 1.995 64.303 62.300 0.013 0.000 1.036 11 V CB -1.136 30.701 31.823 0.024 0.000 0.654 11 V HN 0.550 nan 8.190 nan 0.000 0.451 12 A N -0.082 122.731 122.820 -0.011 0.000 1.873 12 A HA -0.224 3.278 4.320 -1.363 0.000 0.215 12 A C 2.432 180.008 177.584 -0.012 0.000 1.186 12 A CA 1.908 53.935 52.037 -0.016 0.000 0.616 12 A CB -0.564 18.420 19.000 -0.027 0.000 0.823 12 A HN 0.446 nan 8.150 nan 0.000 0.442 13 R N -0.449 120.044 120.500 -0.011 0.000 2.080 13 R HA -0.156 3.366 4.340 -1.363 0.000 0.236 13 R C 1.746 178.044 176.300 -0.005 0.000 1.137 13 R CA 1.717 57.812 56.100 -0.009 0.000 0.943 13 R CB -0.222 30.073 30.300 -0.008 0.000 0.846 13 R HN 0.420 nan 8.270 nan 0.000 0.431 14 E N 0.152 120.352 120.200 -0.000 0.000 2.338 14 E HA -0.113 3.419 4.350 -1.363 0.000 0.197 14 E C 1.388 177.989 176.600 0.002 0.000 1.007 14 E CA 0.816 57.218 56.400 0.004 0.000 0.849 14 E CB -0.231 29.475 29.700 0.011 0.000 0.774 14 E HN 0.517 nan 8.360 nan 0.000 0.506 15 N N 0.526 119.226 118.700 -0.001 0.000 2.220 15 N HA -0.092 3.831 4.740 -1.363 0.000 0.182 15 N C 1.176 176.681 175.510 -0.008 0.000 1.023 15 N CA 0.607 53.655 53.050 -0.004 0.000 0.856 15 N CB 0.165 38.648 38.487 -0.006 0.000 0.997 15 N HN 0.039 nan 8.380 nan 0.000 0.429 16 D N 1.042 121.436 120.400 -0.010 0.000 2.182 16 D HA -0.174 3.649 4.640 -1.363 0.000 0.201 16 D C 1.727 178.022 176.300 -0.008 0.000 0.986 16 D CA 0.785 54.779 54.000 -0.011 0.000 0.847 16 D CB -0.188 40.605 40.800 -0.012 0.000 0.942 16 D HN 0.231 nan 8.370 nan 0.000 0.467 17 R N 0.690 121.187 120.500 -0.006 0.000 2.237 17 R HA -0.030 3.493 4.340 -1.363 0.000 0.219 17 R C 1.285 177.583 176.300 -0.003 0.000 1.080 17 R CA 0.827 56.925 56.100 -0.004 0.000 0.995 17 R CB 0.214 30.514 30.300 -0.002 0.000 0.875 17 R HN 0.105 nan 8.270 nan 0.000 0.462 18 R N -1.584 118.914 120.500 -0.004 0.000 2.509 18 R HA 0.250 3.773 4.340 -1.363 0.000 0.297 18 R C 1.640 177.937 176.300 -0.005 0.000 0.951 18 R CA 0.371 56.470 56.100 -0.003 0.000 1.103 18 R CB 0.691 30.991 30.300 -0.000 0.000 1.283 18 R HN 0.065 nan 8.270 nan 0.000 0.534 19 A N 1.166 123.980 122.820 -0.009 0.000 1.873 19 A HA -0.252 3.250 4.320 -1.363 0.000 0.218 19 A C 2.137 179.715 177.584 -0.010 0.000 1.193 19 A CA 2.236 54.264 52.037 -0.015 0.000 0.629 19 A CB -0.733 18.257 19.000 -0.018 0.000 0.826 19 A HN 0.270 nan 8.150 nan 0.000 0.447 20 S N -0.482 115.214 115.700 -0.006 0.000 2.359 20 S HA -0.164 3.488 4.470 -1.363 0.000 0.222 20 S C 2.224 176.826 174.600 0.004 0.000 1.038 20 S CA 2.149 60.348 58.200 -0.002 0.000 1.051 20 S CB -0.650 62.548 63.200 -0.002 0.000 0.944 20 S HN 0.989 nan 8.310 nan 0.000 0.433 21 A N 1.165 123.987 122.820 0.004 0.000 1.908 21 A HA -0.062 3.441 4.320 -1.363 0.000 0.218 21 A C 2.197 179.791 177.584 0.018 0.000 1.181 21 A CA 1.821 53.862 52.037 0.008 0.000 0.627 21 A CB -0.930 18.072 19.000 0.004 0.000 0.818 21 A HN 0.604 nan 8.150 nan 0.000 0.445 22 L N -0.029 121.204 121.223 0.017 0.000 2.093 22 L HA -0.110 3.413 4.340 -1.363 0.000 0.208 22 L C 2.251 179.157 176.870 0.060 0.000 1.085 22 L CA 2.620 57.480 54.840 0.033 0.000 0.755 22 L CB -0.551 41.513 42.059 0.007 0.000 0.904 22 L HN 0.485 nan 8.230 nan 0.000 0.435 23 K N -0.839 119.580 120.400 0.032 0.000 2.026 23 K HA -0.180 3.322 4.320 -1.363 0.000 0.208 23 K C 1.916 178.561 176.600 0.075 0.000 1.048 23 K CA 1.465 57.779 56.287 0.045 0.000 0.929 23 K CB -0.060 32.448 32.500 0.014 0.000 0.713 23 K HN 0.318 nan 8.250 nan 0.000 0.439 24 E N 1.301 121.529 120.200 0.046 0.000 2.051 24 E HA -0.191 3.341 4.350 -1.363 0.000 0.192 24 E C 1.849 178.473 176.600 0.040 0.000 0.991 24 E CA 1.243 57.664 56.400 0.035 0.000 0.799 24 E CB -0.321 29.389 29.700 0.017 0.000 0.748 24 E HN 0.431 nan 8.360 nan 0.000 0.449 25 D N -0.152 120.275 120.400 0.046 0.000 2.117 25 D HA -0.154 3.668 4.640 -1.363 0.000 0.197 25 D C 1.964 178.293 176.300 0.049 0.000 0.987 25 D CA 0.814 54.834 54.000 0.033 0.000 0.829 25 D CB -0.401 40.417 40.800 0.031 0.000 0.961 25 D HN 0.208 nan 8.370 nan 0.000 0.460 26 Y N 1.915 122.200 120.300 -0.024 0.000 2.181 26 Y HA -0.158 3.574 4.550 -1.363 0.000 0.288 26 Y C 2.174 178.061 175.900 -0.022 0.000 1.146 26 Y CA 1.603 59.689 58.100 -0.024 0.000 1.164 26 Y CB 0.111 38.559 38.460 -0.020 0.000 0.982 26 Y HN -0.029 nan 8.280 nan 0.000 0.515 27 E N -0.308 119.977 120.200 0.142 0.000 2.106 27 E HA -0.169 3.363 4.350 -1.363 0.000 0.192 27 E C 2.325 178.910 176.600 -0.026 0.000 0.984 27 E CA 0.785 57.222 56.400 0.062 0.000 0.806 27 E CB -0.260 29.485 29.700 0.076 0.000 0.750 27 E HN 0.560 nan 8.360 nan 0.000 0.458 28 A N 1.479 124.282 122.820 -0.028 0.000 1.873 28 A HA -0.148 3.354 4.320 -1.363 0.000 0.215 28 A C 2.181 179.715 177.584 -0.084 0.000 1.186 28 A CA 1.005 53.014 52.037 -0.046 0.000 0.616 28 A CB -0.469 18.510 19.000 -0.035 0.000 0.823 28 A HN 0.236 nan 8.150 nan 0.000 0.442 29 L N 0.187 121.334 121.223 -0.125 0.000 2.141 29 L HA 0.061 3.583 4.340 -1.363 0.000 0.209 29 L C 2.239 178.986 176.870 -0.205 0.000 1.094 29 L CA 2.151 56.891 54.840 -0.167 0.000 0.763 29 L CB -1.074 40.862 42.059 -0.206 0.000 0.908 29 L HN 0.265 nan 8.230 nan 0.000 0.437 30 G N -0.835 107.812 108.800 -0.254 0.000 2.418 30 G HA2 -0.221 2.921 3.960 -1.363 0.000 0.217 30 G HA3 -0.221 2.921 3.960 -1.363 0.000 0.217 30 G C 1.582 176.411 174.900 -0.119 0.000 1.158 30 G CA 0.746 45.709 45.100 -0.229 0.000 0.771 30 G HN 0.618 nan 8.290 nan 0.000 0.545 31 A N 1.117 123.885 122.820 -0.087 0.000 1.898 31 A HA -0.099 3.404 4.320 -1.363 0.000 0.216 31 A C 2.213 179.762 177.584 -0.058 0.000 1.181 31 A CA 1.855 53.859 52.037 -0.056 0.000 0.620 31 A CB -0.590 18.386 19.000 -0.040 0.000 0.819 31 A HN 0.440 nan 8.150 nan 0.000 0.442 32 N N 0.486 119.144 118.700 -0.071 0.000 2.120 32 N HA -0.124 3.798 4.740 -1.363 0.000 0.188 32 N C 1.729 177.199 175.510 -0.066 0.000 1.024 32 N CA 1.622 54.632 53.050 -0.065 0.000 0.852 32 N CB -0.274 38.169 38.487 -0.074 0.000 1.003 32 N HN 0.504 nan 8.380 nan 0.000 0.424 33 L N 0.650 121.822 121.223 -0.084 0.000 2.141 33 L HA -0.065 3.458 4.340 -1.363 0.000 0.209 33 L C 2.684 179.520 176.870 -0.057 0.000 1.094 33 L CA 1.016 55.810 54.840 -0.077 0.000 0.763 33 L CB -0.543 41.455 42.059 -0.102 0.000 0.908 33 L HN 0.185 nan 8.230 nan 0.000 0.437 34 A N 0.212 122.999 122.820 -0.055 0.000 1.933 34 A HA -0.191 3.312 4.320 -1.363 0.000 0.218 34 A C 2.359 179.925 177.584 -0.030 0.000 1.175 34 A CA 1.277 53.291 52.037 -0.038 0.000 0.628 34 A CB -0.414 18.567 19.000 -0.033 0.000 0.814 34 A HN 0.323 nan 8.150 nan 0.000 0.444 35 R N -0.789 119.693 120.500 -0.032 0.000 2.148 35 R HA -0.021 3.501 4.340 -1.363 0.000 0.227 35 R C 1.566 177.853 176.300 -0.022 0.000 1.103 35 R CA 1.191 57.276 56.100 -0.024 0.000 0.983 35 R CB -0.154 30.131 30.300 -0.026 0.000 0.874 35 R HN 0.432 nan 8.270 nan 0.000 0.451 36 R N -0.282 120.202 120.500 -0.026 0.000 2.356 36 R HA 0.107 3.630 4.340 -1.363 0.000 0.234 36 R C 0.660 176.949 176.300 -0.018 0.000 0.929 36 R CA 0.455 56.543 56.100 -0.020 0.000 1.084 36 R CB 0.648 30.933 30.300 -0.025 0.000 1.105 36 R HN 0.300 nan 8.270 nan 0.000 0.515 37 G N 0.614 109.402 108.800 -0.020 0.000 2.176 37 G HA2 -0.244 2.898 3.960 -1.363 0.000 0.252 37 G HA3 -0.244 2.898 3.960 -1.363 0.000 0.252 37 G C -0.123 174.764 174.900 -0.020 0.000 1.024 37 G CA 0.114 45.203 45.100 -0.017 0.000 0.755 37 G HN 0.170 nan 8.290 nan 0.000 0.507 38 V N 0.226 120.123 119.914 -0.028 0.000 2.540 38 V HA 0.532 3.834 4.120 -1.363 0.000 0.302 38 V C -0.315 175.756 176.094 -0.039 0.000 1.035 38 V CA -0.696 61.584 62.300 -0.034 0.000 0.873 38 V CB 2.028 33.825 31.823 -0.043 0.000 0.992 38 V HN 0.347 nan 8.190 nan 0.000 0.428 39 D N 3.426 123.809 120.400 -0.030 0.000 2.365 39 D HA 0.185 4.007 4.640 -1.363 0.000 0.237 39 D C 0.973 177.253 176.300 -0.033 0.000 1.190 39 D CA -0.149 53.836 54.000 -0.025 0.000 0.867 39 D CB 1.102 41.898 40.800 -0.007 0.000 1.050 39 D HN 0.540 nan 8.370 nan 0.000 0.491 40 I N 3.186 123.720 120.570 -0.060 0.000 2.530 40 I HA -0.211 3.142 4.170 -1.363 0.000 0.257 40 I C 1.310 177.424 176.117 -0.005 0.000 1.179 40 I CA 1.133 62.376 61.300 -0.094 0.000 1.440 40 I CB 0.337 38.193 38.000 -0.239 0.000 1.087 40 I HN 0.390 nan 8.210 nan 0.000 0.440 41 E N 0.874 121.099 120.200 0.043 0.000 2.152 41 E HA -0.105 3.428 4.350 -1.363 0.000 0.192 41 E C 2.214 178.846 176.600 0.054 0.000 0.983 41 E CA 1.137 57.590 56.400 0.088 0.000 0.818 41 E CB -0.218 29.530 29.700 0.079 0.000 0.758 41 E HN 0.624 nan 8.360 nan 0.000 0.467 42 A N 0.868 123.704 122.820 0.026 0.000 2.015 42 A HA -0.075 3.428 4.320 -1.363 0.000 0.219 42 A C 2.492 180.082 177.584 0.010 0.000 1.163 42 A CA 0.941 52.990 52.037 0.019 0.000 0.646 42 A CB -0.272 18.733 19.000 0.008 0.000 0.806 42 A HN 0.115 nan 8.150 nan 0.000 0.448 43 V N -0.743 119.166 119.914 -0.008 0.000 2.346 43 V HA -0.153 3.150 4.120 -1.363 0.000 0.244 43 V C 2.667 178.760 176.094 -0.000 0.000 1.037 43 V CA 2.260 64.538 62.300 -0.037 0.000 1.029 43 V CB -1.193 30.585 31.823 -0.075 0.000 0.663 43 V HN 0.545 nan 8.190 nan 0.000 0.454 44 T N 0.849 115.428 114.554 0.042 0.000 2.759 44 T HA -0.191 3.341 4.350 -1.363 0.000 0.269 44 T C 2.070 176.810 174.700 0.067 0.000 1.042 44 T CA 1.676 63.825 62.100 0.082 0.000 1.140 44 T CB -0.439 68.526 68.868 0.162 0.000 0.864 44 T HN 0.550 nan 8.240 nan 0.000 0.455 45 A N 1.623 124.479 122.820 0.060 0.000 1.902 45 A HA -0.134 3.369 4.320 -1.363 0.000 0.217 45 A C 2.285 179.907 177.584 0.063 0.000 1.181 45 A CA 1.564 53.634 52.037 0.056 0.000 0.623 45 A CB -0.379 18.652 19.000 0.051 0.000 0.818 45 A HN 0.458 nan 8.150 nan 0.000 0.443 46 K N -0.596 119.849 120.400 0.075 0.000 2.076 46 K HA 0.009 3.511 4.320 -1.363 0.000 0.204 46 K C 1.837 178.560 176.600 0.205 0.000 1.051 46 K CA 1.143 57.512 56.287 0.137 0.000 0.949 46 K CB -0.265 32.317 32.500 0.137 0.000 0.726 46 K HN 0.286 nan 8.250 nan 0.000 0.443 47 V N 2.082 122.090 119.914 0.156 0.000 2.392 47 V HA -0.240 3.062 4.120 -1.363 0.000 0.249 47 V C 1.800 177.943 176.094 0.081 0.000 1.059 47 V CA 1.779 64.180 62.300 0.167 0.000 1.051 47 V CB -0.463 31.402 31.823 0.070 0.000 0.658 47 V HN 0.336 nan 8.190 nan 0.000 0.455 48 E N -0.292 119.937 120.200 0.047 0.000 2.265 48 E HA -0.160 3.372 4.350 -1.363 0.000 0.196 48 E C 1.848 178.393 176.600 -0.092 0.000 0.996 48 E CA 0.598 57.013 56.400 0.025 0.000 0.832 48 E CB 0.021 29.751 29.700 0.051 0.000 0.756 48 E HN 0.450 nan 8.360 nan 0.000 0.491 49 K N -0.139 120.151 120.400 -0.183 0.000 2.367 49 K HA 0.074 3.577 4.320 -1.363 0.000 0.194 49 K C 0.042 176.036 176.600 -1.012 0.000 1.027 49 K CA -0.112 55.877 56.287 -0.496 0.000 1.075 49 K CB 0.127 32.525 32.500 -0.170 0.000 0.845 49 K HN 0.026 nan 8.250 nan 0.000 0.529 50 F N 1.685 121.197 119.950 -0.729 0.000 2.445 50 F HA 0.220 3.929 4.527 -1.363 0.000 0.359 50 F C -0.466 174.942 175.800 -0.654 0.000 1.101 50 F CA -0.595 56.993 58.000 -0.687 0.000 1.177 50 F CB 0.228 38.862 39.000 -0.610 0.000 1.110 50 F HN -0.228 nan 8.300 nan 0.000 0.522 51 F N 5.023 124.585 119.950 -0.646 0.000 2.577 51 F HA 0.684 4.393 4.527 -1.363 0.000 0.318 51 F C -0.569 174.999 175.800 -0.386 0.000 1.065 51 F CA -1.417 56.377 58.000 -0.343 0.000 0.929 51 F CB 1.576 40.446 39.000 -0.217 0.000 1.237 51 F HN 0.206 nan 8.300 nan 0.000 0.468 52 V N 1.684 121.656 119.914 0.096 0.000 2.760 52 V HA 0.856 4.159 4.120 -1.363 0.000 0.309 52 V C -0.826 175.327 176.094 0.098 0.000 1.077 52 V CA -0.795 61.591 62.300 0.144 0.000 0.910 52 V CB 1.574 33.535 31.823 0.229 0.000 1.008 52 V HN 1.066 nan 8.190 nan 0.000 0.424 53 A N 5.753 128.626 122.820 0.089 0.000 2.440 53 A HA 0.652 4.154 4.320 -1.363 0.000 0.251 53 A C -0.069 177.503 177.584 -0.019 0.000 1.089 53 A CA 0.124 52.172 52.037 0.018 0.000 0.779 53 A CB 0.624 19.639 19.000 0.024 0.000 1.022 53 A HN 1.774 nan 8.150 nan 0.000 0.492 54 V N 0.977 120.847 119.914 -0.074 0.000 2.481 54 V HA 0.619 3.921 4.120 -1.363 0.000 0.286 54 V C -2.457 173.497 176.094 -0.234 0.000 1.042 54 V CA -2.382 59.839 62.300 -0.132 0.000 0.928 54 V CB 1.338 33.088 31.823 -0.122 0.000 0.986 54 V HN 0.787 nan 8.190 nan 0.000 0.462 55 P HA 0.177 nan 4.420 nan 0.000 0.282 55 P C 0.944 177.843 177.300 -0.670 0.000 1.274 55 P CA 0.040 62.564 63.100 -0.959 0.000 0.770 55 P CB 1.717 32.395 31.700 -1.702 0.000 0.867 56 S N 3.289 118.831 115.700 -0.265 0.000 2.387 56 S HA -0.193 3.459 4.470 -1.363 0.000 0.230 56 S C 1.362 176.027 174.600 0.107 0.000 1.035 56 S CA 0.958 59.186 58.200 0.046 0.000 1.014 56 S CB -1.445 61.920 63.200 0.274 0.000 0.836 56 S HN 0.699 nan 8.310 nan 0.000 0.466 57 W N 1.406 122.829 121.300 0.205 0.000 3.292 57 W HA 0.652 4.497 4.660 -1.358 0.000 0.263 57 W C 1.367 177.954 176.519 0.113 0.000 1.318 57 W CA -0.465 56.976 57.345 0.161 0.000 1.663 57 W CB -0.553 29.070 29.460 0.272 0.000 1.114 57 W HN 0.204 nan 8.180 nan 0.000 0.706 58 G N 0.298 108.930 108.800 -0.279 0.000 3.159 58 G HA2 0.012 3.154 3.960 -1.363 0.000 0.232 58 G HA3 0.012 3.154 3.960 -1.363 0.000 0.232 58 G C 0.823 175.776 174.900 0.087 0.000 1.116 58 G CA 0.381 45.425 45.100 -0.092 0.000 0.767 58 G HN 0.241 nan 8.290 nan 0.000 0.547 59 V N 0.645 120.573 119.914 0.023 0.000 3.406 59 V HA 0.364 3.667 4.120 -1.363 0.000 0.263 59 V C 1.469 177.604 176.094 0.069 0.000 1.172 59 V CA 1.048 63.362 62.300 0.024 0.000 1.140 59 V CB -0.033 31.800 31.823 0.016 0.000 0.784 59 V HN 0.250 nan 8.190 nan 0.000 0.467 60 G N -0.370 108.484 108.800 0.091 0.000 2.410 60 G HA2 0.439 3.581 3.960 -1.363 0.000 0.330 60 G HA3 0.439 3.581 3.960 -1.363 0.000 0.330 60 G C -0.283 174.680 174.900 0.105 0.000 1.142 60 G CA -0.215 44.935 45.100 0.084 0.000 0.902 60 G HN 0.189 nan 8.290 nan 0.000 0.491 61 T N 0.693 115.304 114.554 0.095 0.000 2.928 61 T HA 0.428 3.961 4.350 -1.363 0.000 0.305 61 T C 0.997 175.744 174.700 0.080 0.000 1.035 61 T CA 0.643 62.809 62.100 0.110 0.000 1.145 61 T CB 1.081 70.013 68.868 0.108 0.000 0.963 61 T HN 0.718 nan 8.240 nan 0.000 0.545 62 G N 0.735 109.586 108.800 0.084 0.000 2.613 62 G HA2 0.760 3.902 3.960 -1.363 0.000 0.303 62 G HA3 0.760 3.902 3.960 -1.363 0.000 0.303 62 G C -0.138 174.786 174.900 0.041 0.000 1.312 62 G CA -0.402 44.726 45.100 0.046 0.000 1.036 62 G HN 0.988 nan 8.290 nan 0.000 0.513 63 G N -1.967 106.845 108.800 0.020 0.000 2.721 63 G HA2 0.702 3.844 3.960 -1.363 0.000 0.296 63 G HA3 0.702 3.844 3.960 -1.363 0.000 0.296 63 G C -0.466 174.446 174.900 0.020 0.000 1.383 63 G CA 0.383 45.490 45.100 0.012 0.000 0.788 63 G HN 1.140 nan 8.290 nan 0.000 0.500 64 T N -2.972 111.597 114.554 0.024 0.000 2.905 64 T HA 0.453 3.985 4.350 -1.363 0.000 0.283 64 T C 1.429 176.103 174.700 -0.044 0.000 1.031 64 T CA -0.182 61.937 62.100 0.033 0.000 1.002 64 T CB 1.720 70.670 68.868 0.137 0.000 1.200 64 T HN 0.796 nan 8.240 nan 0.000 0.560 65 R N -0.583 119.826 120.500 -0.151 0.000 2.285 65 R HA 0.094 3.617 4.340 -1.363 0.000 0.213 65 R C 1.136 177.232 176.300 -0.340 0.000 1.068 65 R CA 1.081 57.018 56.100 -0.272 0.000 1.004 65 R CB -0.684 29.386 30.300 -0.383 0.000 0.873 65 R HN 0.501 nan 8.270 nan 0.000 0.467 66 F N 0.951 120.900 119.950 -0.001 0.000 2.387 66 F HA 0.385 4.096 4.527 -1.359 0.000 0.294 66 F C 1.107 176.865 175.800 -0.071 0.000 1.093 66 F CA 0.511 58.505 58.000 -0.010 0.000 1.420 66 F CB 0.316 39.330 39.000 0.022 0.000 1.086 66 F HN 0.219 nan 8.300 nan 0.000 0.531 67 A N -0.414 122.414 122.820 0.013 0.000 2.549 67 A HA 0.636 4.138 4.320 -1.363 0.000 0.291 67 A C -1.217 176.125 177.584 -0.402 0.000 1.034 67 A CA -0.874 50.995 52.037 -0.280 0.000 0.655 67 A CB 0.962 19.651 19.000 -0.518 0.000 1.299 67 A HN 0.059 nan 8.150 nan 0.000 0.427 68 R N 0.321 120.483 120.500 -0.562 0.000 2.532 68 R HA 0.689 4.211 4.340 -1.363 0.000 0.297 68 R C -2.142 173.858 176.300 -0.500 0.000 0.984 68 R CA -0.462 55.415 56.100 -0.372 0.000 0.884 68 R CB 0.836 31.035 30.300 -0.169 0.000 1.182 68 R HN 0.567 nan 8.270 nan 0.000 0.442 69 F N 5.855 125.833 119.950 0.046 0.000 2.363 69 F HA 0.351 4.061 4.527 -1.361 0.000 0.366 69 F C -1.647 174.178 175.800 0.042 0.000 1.083 69 F CA -2.172 55.854 58.000 0.043 0.000 1.176 69 F CB 1.065 40.092 39.000 0.045 0.000 1.432 69 F HN 0.312 nan 8.300 nan 0.000 0.482 70 P HA 0.212 nan 4.420 nan 0.000 0.269 70 P C 0.301 177.672 177.300 0.120 0.000 1.215 70 P CA 0.052 63.220 63.100 0.112 0.000 0.780 70 P CB 1.478 33.219 31.700 0.068 0.000 0.898 71 G N 0.976 109.838 108.800 0.102 0.000 2.583 71 G HA2 0.543 3.686 3.960 -1.363 0.000 0.280 71 G HA3 0.543 3.686 3.960 -1.363 0.000 0.280 71 G C -0.328 174.617 174.900 0.075 0.000 1.376 71 G CA -0.437 44.718 45.100 0.091 0.000 1.043 71 G HN 0.666 nan 8.290 nan 0.000 0.538 72 T N -3.466 111.128 114.554 0.067 0.000 2.913 72 T HA 0.459 3.992 4.350 -1.363 0.000 0.287 72 T C 1.210 175.942 174.700 0.054 0.000 1.008 72 T CA 0.729 62.861 62.100 0.052 0.000 1.067 72 T CB 1.138 70.030 68.868 0.039 0.000 0.996 72 T HN 2.195 nan 8.240 nan 0.000 0.513 73 G N 1.130 109.953 108.800 0.037 0.000 2.198 73 G HA2 -0.207 2.935 3.960 -1.363 0.000 0.260 73 G HA3 -0.207 2.935 3.960 -1.363 0.000 0.260 73 G C -0.057 174.877 174.900 0.056 0.000 1.025 73 G CA -0.138 44.981 45.100 0.032 0.000 0.769 73 G HN 0.893 nan 8.290 nan 0.000 0.507 74 E N 1.120 121.354 120.200 0.057 0.000 2.465 74 E HA 0.133 3.666 4.350 -1.363 0.000 0.260 74 E C -1.560 175.077 176.600 0.062 0.000 0.980 74 E CA -0.952 55.486 56.400 0.062 0.000 0.927 74 E CB 0.639 30.369 29.700 0.050 0.000 0.934 74 E HN 0.396 nan 8.360 nan 0.000 0.459 75 P HA 0.101 nan 4.420 nan 0.000 0.271 75 P C -0.563 176.778 177.300 0.068 0.000 1.216 75 P CA 0.048 63.197 63.100 0.082 0.000 0.776 75 P CB 0.679 32.437 31.700 0.097 0.000 0.881 76 R N 1.930 122.476 120.500 0.077 0.000 2.320 76 R HA 0.600 4.122 4.340 -1.363 0.000 0.319 76 R C 0.294 176.654 176.300 0.099 0.000 0.969 76 R CA -0.284 55.859 56.100 0.072 0.000 0.857 76 R CB 1.144 31.483 30.300 0.065 0.000 1.160 76 R HN 0.902 nan 8.270 nan 0.000 0.491 77 G N 1.690 110.545 108.800 0.091 0.000 2.699 77 G HA2 -0.232 2.910 3.960 -1.363 0.000 0.686 77 G HA3 -0.232 2.910 3.960 -1.363 0.000 0.686 77 G C 0.391 175.342 174.900 0.086 0.000 1.301 77 G CA -0.360 44.804 45.100 0.107 0.000 0.816 77 G HN 0.649 nan 8.290 nan 0.000 0.595 78 I N -0.161 120.414 120.570 0.007 0.000 2.361 78 I HA -0.053 3.300 4.170 -1.363 0.000 0.251 78 I C 2.462 178.497 176.117 -0.137 0.000 1.133 78 I CA 1.990 63.236 61.300 -0.090 0.000 1.413 78 I CB -0.199 37.663 38.000 -0.230 0.000 1.073 78 I HN 0.506 nan 8.210 nan 0.000 0.424 79 F N 1.153 121.173 119.950 0.116 0.000 2.146 79 F HA -0.207 3.503 4.527 -1.362 0.000 0.298 79 F C 2.279 178.137 175.800 0.096 0.000 1.096 79 F CA 1.373 59.435 58.000 0.104 0.000 1.275 79 F CB -0.803 38.247 39.000 0.085 0.000 1.008 79 F HN 0.134 nan 8.300 nan 0.000 0.480 80 D N 0.262 120.809 120.400 0.244 0.000 2.144 80 D HA -0.120 3.702 4.640 -1.363 0.000 0.200 80 D C 2.101 178.493 176.300 0.153 0.000 0.978 80 D CA 1.046 55.154 54.000 0.180 0.000 0.833 80 D CB -0.253 40.632 40.800 0.142 0.000 0.961 80 D HN 0.273 nan 8.370 nan 0.000 0.470 81 K N 0.319 120.793 120.400 0.124 0.000 2.057 81 K HA -0.050 3.452 4.320 -1.363 0.000 0.207 81 K C 2.322 178.973 176.600 0.085 0.000 1.049 81 K CA 0.604 56.951 56.287 0.099 0.000 0.931 81 K CB -0.111 32.445 32.500 0.095 0.000 0.714 81 K HN 0.136 nan 8.250 nan 0.000 0.440 82 L N 1.126 122.404 121.223 0.091 0.000 2.083 82 L HA -0.205 3.318 4.340 -1.363 0.000 0.209 82 L C 1.958 178.871 176.870 0.073 0.000 1.083 82 L CA 1.001 55.885 54.840 0.073 0.000 0.752 82 L CB -0.457 41.666 42.059 0.107 0.000 0.899 82 L HN 0.206 nan 8.230 nan 0.000 0.433 83 D N 0.217 120.693 120.400 0.126 0.000 2.123 83 D HA -0.185 3.638 4.640 -1.363 0.000 0.196 83 D C 1.681 178.061 176.300 0.132 0.000 0.992 83 D CA 1.380 55.465 54.000 0.143 0.000 0.833 83 D CB -0.095 40.822 40.800 0.195 0.000 0.954 83 D HN 0.372 nan 8.370 nan 0.000 0.455 84 D N -0.051 120.432 120.400 0.138 0.000 2.149 84 D HA -0.067 3.755 4.640 -1.363 0.000 0.201 84 D C 2.229 178.508 176.300 -0.036 0.000 0.972 84 D CA 0.319 54.370 54.000 0.087 0.000 0.835 84 D CB -0.490 40.392 40.800 0.137 0.000 0.966 84 D HN 0.214 nan 8.370 nan 0.000 0.476 85 C N 1.321 120.605 119.300 -0.027 0.000 2.422 85 C HA -0.022 3.621 4.460 -1.363 0.000 0.279 85 C C 2.901 177.833 174.990 -0.098 0.000 1.305 85 C CA 0.683 59.657 59.018 -0.073 0.000 1.757 85 C CB -0.950 26.750 27.740 -0.067 0.000 1.962 85 C HN 0.358 nan 8.230 nan 0.000 0.499 86 A N 0.208 122.979 122.820 -0.082 0.000 1.972 86 A HA -0.081 3.421 4.320 -1.363 0.000 0.219 86 A C 2.229 179.742 177.584 -0.118 0.000 1.169 86 A CA 1.927 53.903 52.037 -0.102 0.000 0.635 86 A CB -0.529 18.426 19.000 -0.075 0.000 0.810 86 A HN 0.398 nan 8.150 nan 0.000 0.446 87 V N 0.167 119.993 119.914 -0.147 0.000 2.358 87 V HA -0.247 3.055 4.120 -1.363 0.000 0.246 87 V C 2.380 178.389 176.094 -0.142 0.000 1.047 87 V CA 1.933 64.119 62.300 -0.189 0.000 1.035 87 V CB -0.675 30.928 31.823 -0.367 0.000 0.658 87 V HN 0.590 nan 8.190 nan 0.000 0.452 88 I N 0.091 120.570 120.570 -0.151 0.000 2.226 88 I HA -0.275 3.077 4.170 -1.363 0.000 0.245 88 I C 2.639 178.698 176.117 -0.096 0.000 1.100 88 I CA 1.722 62.941 61.300 -0.136 0.000 1.374 88 I CB -0.411 37.505 38.000 -0.141 0.000 1.057 88 I HN 0.348 nan 8.210 nan 0.000 0.413 89 Q N 1.224 120.963 119.800 -0.100 0.000 2.079 89 Q HA -0.249 3.274 4.340 -1.363 0.000 0.200 89 Q C 2.125 178.083 176.000 -0.069 0.000 0.974 89 Q CA 1.754 57.502 55.803 -0.092 0.000 0.840 89 Q CB -0.401 28.260 28.738 -0.130 0.000 0.898 89 Q HN 0.483 nan 8.270 nan 0.000 0.430 90 Q N -0.603 119.153 119.800 -0.073 0.000 2.061 90 Q HA -0.136 3.386 4.340 -1.363 0.000 0.204 90 Q C 1.985 177.985 176.000 0.000 0.000 0.984 90 Q CA 1.689 57.470 55.803 -0.035 0.000 0.846 90 Q CB -0.073 28.651 28.738 -0.024 0.000 0.902 90 Q HN 0.508 nan 8.270 nan 0.000 0.421 91 L N -0.445 120.771 121.223 -0.013 0.000 2.162 91 L HA -0.062 3.460 4.340 -1.363 0.000 0.205 91 L C 2.546 179.416 176.870 0.000 0.000 1.086 91 L CA 1.508 56.349 54.840 0.002 0.000 0.778 91 L CB -0.322 41.736 42.059 -0.002 0.000 0.928 91 L HN 0.405 nan 8.230 nan 0.000 0.446 92 T N -5.029 109.519 114.554 -0.011 0.000 3.040 92 T HA 0.045 3.577 4.350 -1.363 0.000 0.252 92 T C 1.168 175.890 174.700 0.037 0.000 1.064 92 T CA -0.323 61.780 62.100 0.005 0.000 1.110 92 T CB 0.237 69.101 68.868 -0.007 0.000 0.921 92 T HN 0.098 nan 8.240 nan 0.000 0.480 93 R N 0.335 120.853 120.500 0.031 0.000 3.953 93 R HA -0.155 3.367 4.340 -1.363 0.000 0.340 93 R C 0.855 177.251 176.300 0.161 0.000 1.195 93 R CA 0.903 57.041 56.100 0.065 0.000 0.929 93 R CB -2.394 27.955 30.300 0.083 0.000 1.402 93 R HN 0.719 nan 8.270 nan 0.000 0.540 94 A N -0.420 122.483 122.820 0.140 0.000 2.469 94 A HA 0.169 3.671 4.320 -1.363 0.000 0.245 94 A C 0.892 178.586 177.584 0.184 0.000 1.221 94 A CA 0.815 53.002 52.037 0.251 0.000 0.946 94 A CB 0.494 19.593 19.000 0.165 0.000 1.049 94 A HN 0.286 nan 8.150 nan 0.000 0.529 95 T N -2.378 112.198 114.554 0.037 0.000 3.532 95 T HA 0.336 3.869 4.350 -1.363 0.000 0.241 95 T C -1.841 172.780 174.700 -0.133 0.000 1.238 95 T CA -1.002 61.078 62.100 -0.034 0.000 1.405 95 T CB 0.816 69.656 68.868 -0.046 0.000 0.971 95 T HN 0.110 nan 8.240 nan 0.000 0.640 96 P HA 0.041 nan 4.420 nan 0.000 0.230 96 P C -0.343 176.783 177.300 -0.290 0.000 1.158 96 P CA 0.412 63.319 63.100 -0.321 0.000 0.769 96 P CB 0.207 31.578 31.700 -0.549 0.000 0.807 97 N N -0.244 118.318 118.700 -0.230 0.000 2.284 97 N HA 0.298 4.221 4.740 -1.363 0.000 0.300 97 N C -0.960 174.460 175.510 -0.150 0.000 1.047 97 N CA -0.630 52.295 53.050 -0.209 0.000 0.821 97 N CB 2.793 41.187 38.487 -0.155 0.000 1.337 97 N HN -0.255 nan 8.380 nan 0.000 0.482 98 V N 0.651 120.466 119.914 -0.165 0.000 2.435 98 V HA 0.340 3.643 4.120 -1.363 0.000 0.290 98 V C 0.372 176.521 176.094 0.093 0.000 1.030 98 V CA -0.658 61.607 62.300 -0.057 0.000 0.881 98 V CB 1.683 33.471 31.823 -0.059 0.000 0.983 98 V HN 0.649 nan 8.190 nan 0.000 0.445 99 S N 5.419 121.169 115.700 0.083 0.000 2.422 99 S HA 0.624 4.276 4.470 -1.363 0.000 0.298 99 S C -0.414 174.382 174.600 0.327 0.000 1.118 99 S CA -0.556 57.755 58.200 0.185 0.000 1.083 99 S CB -0.006 63.288 63.200 0.158 0.000 0.971 99 S HN 0.526 nan 8.310 nan 0.000 0.478 100 L N 4.473 125.895 121.223 0.331 0.000 2.421 100 L HA 0.508 4.030 4.340 -1.363 0.000 0.263 100 L C 0.317 177.416 176.870 0.382 0.000 1.122 100 L CA -0.835 54.220 54.840 0.359 0.000 0.804 100 L CB 0.728 42.897 42.059 0.183 0.000 1.150 100 L HN 0.607 nan 8.230 nan 0.000 0.457 101 H N 1.536 120.805 119.070 0.332 0.000 2.589 101 H HA 0.527 4.264 4.556 -1.364 0.000 0.351 101 H C -1.222 174.116 175.328 0.017 0.000 1.074 101 H CA -0.592 55.520 56.048 0.107 0.000 1.203 101 H CB 1.909 31.695 29.762 0.040 0.000 1.558 101 H HN 0.270 nan 8.280 nan 0.000 0.522 102 I N 6.526 127.147 120.570 0.085 0.000 2.493 102 I HA 0.249 3.601 4.170 -1.363 0.000 0.298 102 I C -1.606 174.509 176.117 -0.004 0.000 0.998 102 I CA -2.077 59.258 61.300 0.059 0.000 1.137 102 I CB 2.033 40.036 38.000 0.006 0.000 1.310 102 I HN 0.420 nan 8.210 nan 0.000 0.445 103 P HA -0.023 nan 4.420 nan 0.000 0.255 103 P C 0.920 178.320 177.300 0.167 0.000 1.248 103 P CA 0.384 63.524 63.100 0.066 0.000 0.807 103 P CB 0.161 31.908 31.700 0.078 0.000 1.150 104 W N 1.799 123.145 121.300 0.077 0.000 2.321 104 W HA -0.110 3.731 4.660 -1.364 0.000 0.306 104 W C 0.995 177.559 176.519 0.075 0.000 1.217 104 W CA 1.063 58.445 57.345 0.062 0.000 1.257 104 W CB -1.690 27.800 29.460 0.050 0.000 1.145 104 W HN 0.118 nan 8.180 nan 0.000 0.509 105 D N -0.338 120.250 120.400 0.315 0.000 2.342 105 D HA 0.012 3.834 4.640 -1.363 0.000 0.221 105 D C 0.483 176.824 176.300 0.069 0.000 1.101 105 D CA 0.109 54.212 54.000 0.172 0.000 0.837 105 D CB -0.200 40.713 40.800 0.189 0.000 0.938 105 D HN 0.073 nan 8.370 nan 0.000 0.508 106 K N 1.248 121.702 120.400 0.089 0.000 2.491 106 K HA 0.246 3.748 4.320 -1.363 0.000 0.279 106 K C -0.394 176.230 176.600 0.040 0.000 1.026 106 K CA 0.129 56.445 56.287 0.050 0.000 1.070 106 K CB 0.327 32.866 32.500 0.065 0.000 0.887 106 K HN 0.054 nan 8.250 nan 0.000 0.481 107 A N 3.596 126.429 122.820 0.021 0.000 2.483 107 A HA 0.185 3.687 4.320 -1.363 0.000 0.294 107 A C -1.717 175.904 177.584 0.062 0.000 1.077 107 A CA -0.863 51.211 52.037 0.062 0.000 0.633 107 A CB 0.676 19.693 19.000 0.028 0.000 1.318 107 A HN 0.776 nan 8.150 nan 0.000 0.455 108 D N 0.669 121.142 120.400 0.122 0.000 2.382 108 D HA 0.393 4.216 4.640 -1.363 0.000 0.259 108 D C -1.518 174.827 176.300 0.075 0.000 1.224 108 D CA -1.010 53.045 54.000 0.092 0.000 0.894 108 D CB 0.943 41.808 40.800 0.108 0.000 1.127 108 D HN 0.093 nan 8.370 nan 0.000 0.487 109 P HA -0.266 nan 4.420 nan 0.000 0.214 109 P C 0.978 178.291 177.300 0.023 0.000 1.172 109 P CA 2.160 65.250 63.100 -0.017 0.000 0.925 109 P CB 0.027 31.714 31.700 -0.023 0.000 0.793 110 K N -0.084 120.341 120.400 0.042 0.000 2.107 110 K HA -0.243 3.260 4.320 -1.363 0.000 0.211 110 K C 1.999 178.658 176.600 0.098 0.000 1.049 110 K CA 1.816 58.139 56.287 0.059 0.000 0.927 110 K CB -0.920 31.608 32.500 0.047 0.000 0.714 110 K HN 0.262 nan 8.250 nan 0.000 0.452 111 E N 1.144 121.424 120.200 0.133 0.000 2.051 111 E HA -0.126 3.406 4.350 -1.363 0.000 0.192 111 E C 2.232 179.033 176.600 0.334 0.000 0.991 111 E CA 1.106 57.630 56.400 0.206 0.000 0.799 111 E CB -0.209 29.645 29.700 0.257 0.000 0.748 111 E HN 0.259 nan 8.360 nan 0.000 0.449 112 L N 1.139 122.535 121.223 0.288 0.000 1.989 112 L HA -0.231 3.291 4.340 -1.363 0.000 0.211 112 L C 2.708 179.774 176.870 0.328 0.000 1.071 112 L CA 1.132 56.109 54.840 0.229 0.000 0.749 112 L CB -0.530 41.461 42.059 -0.112 0.000 0.890 112 L HN 0.050 nan 8.230 nan 0.000 0.431 113 K N 0.454 120.980 120.400 0.209 0.000 2.020 113 K HA -0.215 3.287 4.320 -1.363 0.000 0.212 113 K C 2.104 178.851 176.600 0.245 0.000 1.050 113 K CA 1.903 58.364 56.287 0.289 0.000 0.929 113 K CB -0.342 32.248 32.500 0.149 0.000 0.714 113 K HN 0.303 nan 8.250 nan 0.000 0.443 114 A N 1.203 124.130 122.820 0.178 0.000 1.883 114 A HA -0.207 3.295 4.320 -1.363 0.000 0.217 114 A C 2.210 179.877 177.584 0.138 0.000 1.186 114 A CA 2.046 54.160 52.037 0.129 0.000 0.624 114 A CB -0.508 18.550 19.000 0.097 0.000 0.822 114 A HN 0.329 nan 8.150 nan 0.000 0.444 115 R N 0.009 120.636 120.500 0.211 0.000 2.081 115 R HA -0.051 3.472 4.340 -1.363 0.000 0.235 115 R C 2.140 178.527 176.300 0.143 0.000 1.131 115 R CA 1.942 58.169 56.100 0.211 0.000 0.960 115 R CB -1.314 29.222 30.300 0.394 0.000 0.856 115 R HN 0.401 nan 8.270 nan 0.000 0.436 116 G N 0.239 109.139 108.800 0.167 0.000 2.421 116 G HA2 -0.247 2.896 3.960 -1.363 0.000 0.216 116 G HA3 -0.247 2.896 3.960 -1.363 0.000 0.216 116 G C 1.042 175.907 174.900 -0.059 0.000 1.171 116 G CA 0.958 46.041 45.100 -0.028 0.000 0.775 116 G HN 0.348 nan 8.290 nan 0.000 0.543 117 D N 1.075 121.480 120.400 0.008 0.000 2.149 117 D HA -0.089 3.733 4.640 -1.363 0.000 0.198 117 D C 2.776 179.056 176.300 -0.034 0.000 0.990 117 D CA 1.278 55.269 54.000 -0.016 0.000 0.839 117 D CB -0.274 40.539 40.800 0.021 0.000 0.948 117 D HN 0.335 nan 8.370 nan 0.000 0.460 118 A N 0.432 123.246 122.820 -0.010 0.000 1.968 118 A HA -0.037 3.465 4.320 -1.363 0.000 0.217 118 A C 2.302 179.844 177.584 -0.070 0.000 1.169 118 A CA 0.641 52.664 52.037 -0.023 0.000 0.638 118 A CB -0.442 18.565 19.000 0.011 0.000 0.812 118 A HN 0.194 nan 8.150 nan 0.000 0.446 119 L N -1.529 119.650 121.223 -0.073 0.000 2.446 119 L HA 0.224 3.746 4.340 -1.363 0.000 0.219 119 L C 1.478 178.242 176.870 -0.178 0.000 1.116 119 L CA 0.545 55.315 54.840 -0.117 0.000 0.844 119 L CB -0.139 41.877 42.059 -0.072 0.000 0.970 119 L HN 0.553 nan 8.230 nan 0.000 0.457 120 G N 1.143 109.844 108.800 -0.165 0.000 2.203 120 G HA2 -0.225 2.917 3.960 -1.363 0.000 0.231 120 G HA3 -0.225 2.917 3.960 -1.363 0.000 0.231 120 G C -0.300 174.473 174.900 -0.212 0.000 1.058 120 G CA -0.305 44.684 45.100 -0.185 0.000 0.781 120 G HN 0.184 nan 8.290 nan 0.000 0.496 121 L N -0.133 120.947 121.223 -0.238 0.000 2.365 121 L HA 0.802 4.324 4.340 -1.363 0.000 0.273 121 L C 0.953 177.545 176.870 -0.463 0.000 1.000 121 L CA -0.568 54.072 54.840 -0.333 0.000 0.819 121 L CB 2.030 43.882 42.059 -0.345 0.000 1.284 121 L HN 0.254 nan 8.230 nan 0.000 0.418 122 G N 0.878 109.403 108.800 -0.459 0.000 2.613 122 G HA2 0.710 3.852 3.960 -1.363 0.000 0.303 122 G HA3 0.710 3.852 3.960 -1.363 0.000 0.303 122 G C -1.436 173.080 174.900 -0.641 0.000 1.312 122 G CA -0.371 44.463 45.100 -0.443 0.000 1.036 122 G HN 0.266 nan 8.290 nan 0.000 0.513 123 F N -0.430 119.483 119.950 -0.062 0.000 2.477 123 F HA 0.372 4.081 4.527 -1.363 0.000 0.335 123 F C 0.346 176.099 175.800 -0.078 0.000 1.130 123 F CA -0.680 57.288 58.000 -0.054 0.000 0.948 123 F CB 2.196 41.176 39.000 -0.033 0.000 1.154 123 F HN 0.502 nan 8.300 nan 0.000 0.439 124 D N 1.351 121.807 120.400 0.094 0.000 2.342 124 D HA 0.592 4.414 4.640 -1.363 0.000 0.284 124 D C -0.082 176.218 176.300 -0.001 0.000 1.198 124 D CA -0.102 53.912 54.000 0.023 0.000 1.061 124 D CB 0.608 41.427 40.800 0.032 0.000 1.130 124 D HN 0.611 nan 8.370 nan 0.000 0.541 125 A N 0.192 123.014 122.820 0.004 0.000 2.483 125 A HA 0.271 3.773 4.320 -1.363 0.000 0.238 125 A C -0.038 177.558 177.584 0.019 0.000 1.070 125 A CA -0.048 51.966 52.037 -0.039 0.000 0.770 125 A CB 0.017 19.092 19.000 0.126 0.000 1.008 125 A HN 0.438 nan 8.150 nan 0.000 0.497 126 M N 1.949 121.519 119.600 -0.049 0.000 2.255 126 M HA 0.229 3.891 4.480 -1.363 0.000 0.336 126 M C -0.086 176.225 176.300 0.019 0.000 1.135 126 M CA 0.034 55.341 55.300 0.013 0.000 1.145 126 M CB 0.306 32.928 32.600 0.037 0.000 1.473 126 M HN 0.642 nan 8.290 nan 0.000 0.462 127 N N 1.155 119.807 118.700 -0.081 0.000 2.491 127 N HA 0.247 4.169 4.740 -1.363 0.000 0.274 127 N C -0.801 174.481 175.510 -0.380 0.000 1.023 127 N CA -0.153 52.728 53.050 -0.283 0.000 0.902 127 N CB 1.643 39.744 38.487 -0.642 0.000 1.267 127 N HN 0.652 nan 8.380 nan 0.000 0.503 128 S N 1.766 117.394 115.700 -0.120 0.000 2.593 128 S HA 0.255 3.907 4.470 -1.363 0.000 0.269 128 S C 0.164 174.774 174.600 0.017 0.000 1.334 128 S CA -0.546 57.687 58.200 0.054 0.000 1.015 128 S CB 1.316 64.587 63.200 0.118 0.000 0.912 128 S HN 0.551 nan 8.310 nan 0.000 0.541 129 N N 0.709 119.385 118.700 -0.040 0.000 2.648 129 N HA 0.222 4.144 4.740 -1.363 0.000 0.261 129 N C -0.479 174.572 175.510 -0.765 0.000 1.138 129 N CA -0.358 52.366 53.050 -0.543 0.000 0.804 129 N CB 1.137 39.139 38.487 -0.807 0.000 1.237 129 N HN 0.838 nan 8.380 nan 0.000 0.532 130 T N -0.285 113.888 114.554 -0.636 0.000 3.296 130 T HA 0.212 3.744 4.350 -1.363 0.000 0.285 130 T C 0.466 174.810 174.700 -0.593 0.000 1.014 130 T CA -0.467 61.125 62.100 -0.845 0.000 0.920 130 T CB -1.165 67.051 68.868 -1.086 0.000 1.143 130 T HN 0.253 nan 8.240 nan 0.000 0.522 131 F N 0.671 120.475 119.950 -0.244 0.000 2.654 131 F HA 0.677 4.382 4.527 -1.369 0.000 0.303 131 F C 0.082 175.883 175.800 0.003 0.000 1.099 131 F CA -1.170 56.733 58.000 -0.162 0.000 1.270 131 F CB -0.263 38.598 39.000 -0.231 0.000 1.024 131 F HN 0.296 nan 8.300 nan 0.000 0.548 132 S N -1.294 114.351 115.700 -0.091 0.000 2.543 132 S HA 0.371 4.023 4.470 -1.363 0.000 0.274 132 S C -1.764 172.840 174.600 0.006 0.000 1.149 132 S CA -1.008 57.202 58.200 0.017 0.000 0.866 132 S CB 1.631 64.847 63.200 0.026 0.000 1.111 132 S HN 0.039 nan 8.310 nan 0.000 0.457 133 D N 1.782 122.184 120.400 0.004 0.000 2.277 133 D HA 0.609 4.432 4.640 -1.363 0.000 0.249 133 D C 0.296 176.565 176.300 -0.052 0.000 1.134 133 D CA 0.136 54.093 54.000 -0.073 0.000 0.863 133 D CB 1.551 42.290 40.800 -0.102 0.000 1.143 133 D HN 0.863 nan 8.370 nan 0.000 0.458 134 A N 3.552 126.325 122.820 -0.079 0.000 2.293 134 A HA 0.567 4.069 4.320 -1.363 0.000 0.302 134 A C -2.268 175.293 177.584 -0.040 0.000 1.119 134 A CA -1.343 50.674 52.037 -0.034 0.000 0.823 134 A CB 0.179 19.155 19.000 -0.040 0.000 1.097 134 A HN 0.308 nan 8.150 nan 0.000 0.491 135 P HA 0.258 nan 4.420 nan 0.000 0.264 135 P C 0.980 178.260 177.300 -0.033 0.000 1.183 135 P CA 1.886 64.976 63.100 -0.017 0.000 0.763 135 P CB 0.554 32.256 31.700 0.004 0.000 0.807 136 G N 1.300 110.071 108.800 -0.048 0.000 2.184 136 G HA2 -0.309 2.833 3.960 -1.363 0.000 0.264 136 G HA3 -0.309 2.833 3.960 -1.363 0.000 0.264 136 G C 0.298 175.145 174.900 -0.089 0.000 0.975 136 G CA -0.054 45.011 45.100 -0.058 0.000 0.642 136 G HN 0.658 nan 8.290 nan 0.000 0.536 137 Q N 0.003 119.735 119.800 -0.113 0.000 2.330 137 Q HA 0.555 4.077 4.340 -1.363 0.000 0.279 137 Q C 1.730 177.602 176.000 -0.213 0.000 1.024 137 Q CA 0.598 56.301 55.803 -0.167 0.000 0.900 137 Q CB 0.748 29.353 28.738 -0.222 0.000 1.221 137 Q HN 0.668 nan 8.270 nan 0.000 0.396 138 A N 4.874 127.535 122.820 -0.264 0.000 1.898 138 A HA -0.043 3.459 4.320 -1.363 0.000 0.214 138 A C 0.152 177.362 177.584 -0.624 0.000 1.183 138 A CA 0.953 52.733 52.037 -0.429 0.000 0.622 138 A CB 0.065 18.776 19.000 -0.481 0.000 0.824 138 A HN 0.778 nan 8.150 nan 0.000 0.444 139 H N -0.620 118.311 119.070 -0.231 0.000 2.529 139 H HA 0.416 4.153 4.556 -1.364 0.000 0.348 139 H C -0.737 174.330 175.328 -0.436 0.000 1.079 139 H CA -0.591 55.294 56.048 -0.272 0.000 1.198 139 H CB 1.523 31.133 29.762 -0.253 0.000 1.521 139 H HN 0.225 nan 8.280 nan 0.000 0.514 140 S N 1.705 117.287 115.700 -0.197 0.000 2.576 140 S HA 0.064 3.717 4.470 -1.363 0.000 0.276 140 S C 0.163 174.660 174.600 -0.171 0.000 1.339 140 S CA -0.349 57.707 58.200 -0.240 0.000 1.039 140 S CB 0.213 63.348 63.200 -0.107 0.000 0.902 140 S HN 0.438 nan 8.310 nan 0.000 0.516 141 Y N 2.821 123.116 120.300 -0.008 0.000 2.532 141 Y HA 0.279 4.003 4.550 -1.376 0.000 0.283 141 Y C 1.781 177.696 175.900 0.026 0.000 1.181 141 Y CA -0.463 57.660 58.100 0.038 0.000 1.256 141 Y CB -0.504 37.944 38.460 -0.022 0.000 1.112 141 Y HN 0.730 nan 8.280 nan 0.000 0.521 142 K N 0.122 120.546 120.400 0.040 0.000 2.059 142 K HA -0.237 3.265 4.320 -1.363 0.000 0.212 142 K C 0.217 176.676 176.600 -0.235 0.000 1.050 142 K CA 2.001 58.168 56.287 -0.201 0.000 0.927 142 K CB -0.207 31.997 32.500 -0.493 0.000 0.714 142 K HN 0.308 nan 8.250 nan 0.000 0.447 143 Y N -0.150 120.259 120.300 0.183 0.000 2.658 143 Y HA 0.358 4.889 4.550 -0.031 0.000 0.276 143 Y C 0.580 176.461 175.900 -0.032 0.000 1.167 143 Y CA 0.096 58.210 58.100 0.024 0.000 1.230 143 Y CB 0.944 39.335 38.460 -0.114 0.000 1.144 143 Y HN 0.330 nan 8.280 nan 0.000 0.529 144 G N -0.538 108.418 108.800 0.259 0.000 2.371 144 G HA2 0.181 3.323 3.960 -1.363 0.000 0.663 144 G HA3 0.181 3.323 3.960 -1.363 0.000 0.663 144 G C 0.068 175.173 174.900 0.342 0.000 1.311 144 G CA -0.222 45.004 45.100 0.210 0.000 0.985 144 G HN 0.348 nan 8.290 nan 0.000 0.566 145 S N -1.319 114.461 115.700 0.134 0.000 4.163 145 S HA 0.331 3.983 4.470 -1.363 0.000 0.164 145 S C 1.988 176.614 174.600 0.043 0.000 0.896 145 S CA 0.604 58.798 58.200 -0.009 0.000 1.125 145 S CB -0.210 62.606 63.200 -0.640 0.000 1.698 145 S HN 0.954 nan 8.310 nan 0.000 0.817 146 L N 2.838 124.044 121.223 -0.028 0.000 2.456 146 L HA 0.119 3.642 4.340 -1.363 0.000 0.224 146 L C 1.713 178.633 176.870 0.083 0.000 1.148 146 L CA 1.325 56.162 54.840 -0.005 0.000 0.825 146 L CB -0.412 41.600 42.059 -0.080 0.000 0.937 146 L HN 0.721 nan 8.230 nan 0.000 0.450 147 S N -3.753 112.038 115.700 0.151 0.000 2.819 147 S HA 0.074 3.727 4.470 -1.363 0.000 0.249 147 S C 0.536 175.224 174.600 0.147 0.000 1.030 147 S CA -0.621 57.681 58.200 0.168 0.000 1.052 147 S CB -0.206 63.122 63.200 0.213 0.000 1.017 147 S HN 0.268 nan 8.310 nan 0.000 0.576 148 H N 3.001 122.121 119.070 0.082 0.000 2.897 148 H HA 0.089 3.865 4.556 -1.300 0.000 0.347 148 H C 1.672 177.033 175.328 0.056 0.000 1.068 148 H CA 1.685 57.788 56.048 0.092 0.000 1.426 148 H CB 1.541 31.373 29.762 0.116 0.000 1.410 148 H HN 0.449 nan 8.280 nan 0.000 0.597 149 T N 1.274 115.880 114.554 0.088 0.000 2.833 149 T HA -0.190 3.343 4.350 -1.363 0.000 0.269 149 T C 1.001 175.814 174.700 0.189 0.000 1.054 149 T CA 0.817 62.981 62.100 0.107 0.000 1.135 149 T CB -0.132 68.738 68.868 0.003 0.000 0.869 149 T HN 0.459 nan 8.240 nan 0.000 0.466 150 N N 1.290 120.228 118.700 0.395 0.000 2.442 150 N HA 0.476 4.399 4.740 -1.363 0.000 0.265 150 N C 1.115 176.619 175.510 -0.010 0.000 1.138 150 N CA 0.426 53.540 53.050 0.107 0.000 0.956 150 N CB 1.002 39.464 38.487 -0.042 0.000 1.067 150 N HN 0.265 nan 8.380 nan 0.000 0.474 151 A N 4.021 126.820 122.820 -0.035 0.000 1.940 151 A HA -0.135 3.368 4.320 -1.363 0.000 0.219 151 A C 2.091 179.613 177.584 -0.103 0.000 1.176 151 A CA 1.940 53.949 52.037 -0.048 0.000 0.631 151 A CB -1.127 17.851 19.000 -0.036 0.000 0.814 151 A HN 0.786 nan 8.150 nan 0.000 0.446 152 A N -1.020 121.680 122.820 -0.200 0.000 1.877 152 A HA -0.092 3.410 4.320 -1.363 0.000 0.216 152 A C 2.310 179.689 177.584 -0.342 0.000 1.186 152 A CA 2.300 54.160 52.037 -0.296 0.000 0.620 152 A CB -1.324 17.373 19.000 -0.505 0.000 0.822 152 A HN 0.432 nan 8.150 nan 0.000 0.443 153 T N -0.188 114.082 114.554 -0.474 0.000 2.720 153 T HA -0.153 3.380 4.350 -1.363 0.000 0.268 153 T C 2.040 176.734 174.700 -0.010 0.000 1.037 153 T CA 1.551 63.484 62.100 -0.278 0.000 1.144 153 T CB -0.256 68.304 68.868 -0.513 0.000 0.864 153 T HN 0.499 nan 8.240 nan 0.000 0.444 154 R N 0.957 121.448 120.500 -0.016 0.000 2.081 154 R HA 0.048 3.570 4.340 -1.363 0.000 0.235 154 R C 2.878 179.189 176.300 0.019 0.000 1.131 154 R CA 1.275 57.393 56.100 0.030 0.000 0.960 154 R CB -0.549 29.765 30.300 0.022 0.000 0.856 154 R HN 0.375 nan 8.270 nan 0.000 0.436 155 A N 1.292 124.111 122.820 -0.002 0.000 1.908 155 A HA -0.267 3.236 4.320 -1.363 0.000 0.218 155 A C 2.157 179.766 177.584 0.042 0.000 1.181 155 A CA 1.556 53.596 52.037 0.006 0.000 0.627 155 A CB -0.581 18.417 19.000 -0.005 0.000 0.818 155 A HN 0.408 nan 8.150 nan 0.000 0.445 156 Q N -0.485 119.361 119.800 0.076 0.000 2.061 156 Q HA -0.168 3.354 4.340 -1.363 0.000 0.204 156 Q C 2.179 178.281 176.000 0.170 0.000 0.984 156 Q CA 1.893 57.773 55.803 0.129 0.000 0.846 156 Q CB -0.385 28.454 28.738 0.168 0.000 0.902 156 Q HN 0.594 nan 8.270 nan 0.000 0.421 157 A N -0.042 122.889 122.820 0.186 0.000 1.902 157 A HA -0.139 3.363 4.320 -1.363 0.000 0.217 157 A C 2.217 179.840 177.584 0.065 0.000 1.181 157 A CA 1.583 53.686 52.037 0.109 0.000 0.623 157 A CB -0.739 18.244 19.000 -0.027 0.000 0.818 157 A HN 0.323 nan 8.150 nan 0.000 0.443 158 V N 0.117 120.049 119.914 0.030 0.000 2.295 158 V HA -0.246 3.056 4.120 -1.363 0.000 0.246 158 V C 2.622 178.719 176.094 0.006 0.000 1.049 158 V CA 2.412 64.710 62.300 -0.003 0.000 1.024 158 V CB -0.757 31.053 31.823 -0.022 0.000 0.648 158 V HN 0.719 nan 8.190 nan 0.000 0.447 159 E N 0.093 120.311 120.200 0.029 0.000 2.085 159 E HA -0.271 3.261 4.350 -1.363 0.000 0.194 159 E C 2.242 178.853 176.600 0.018 0.000 0.994 159 E CA 1.759 58.169 56.400 0.016 0.000 0.801 159 E CB -0.547 29.172 29.700 0.032 0.000 0.743 159 E HN 0.739 nan 8.360 nan 0.000 0.453 160 H N 0.110 119.176 119.070 -0.007 0.000 2.387 160 H HA -0.060 3.680 4.556 -1.360 0.000 0.299 160 H C 1.635 176.941 175.328 -0.036 0.000 1.090 160 H CA 1.623 57.662 56.048 -0.014 0.000 1.332 160 H CB 0.063 29.828 29.762 0.005 0.000 1.386 160 H HN 0.200 nan 8.280 nan 0.000 0.516 161 N N 0.683 119.356 118.700 -0.046 0.000 2.142 161 N HA -0.111 3.811 4.740 -1.363 0.000 0.186 161 N C 2.368 177.803 175.510 -0.125 0.000 1.023 161 N CA 0.931 53.932 53.050 -0.083 0.000 0.852 161 N CB -0.069 38.410 38.487 -0.015 0.000 0.998 161 N HN 0.373 nan 8.380 nan 0.000 0.424 162 L N 1.282 122.439 121.223 -0.110 0.000 2.046 162 L HA -0.136 3.386 4.340 -1.363 0.000 0.208 162 L C 2.447 179.226 176.870 -0.150 0.000 1.077 162 L CA 1.099 55.861 54.840 -0.129 0.000 0.747 162 L CB -0.436 41.559 42.059 -0.106 0.000 0.896 162 L HN 0.230 nan 8.230 nan 0.000 0.432 163 E N -0.232 119.871 120.200 -0.162 0.000 2.153 163 E HA -0.236 3.296 4.350 -1.363 0.000 0.194 163 E C 2.304 178.799 176.600 -0.174 0.000 0.988 163 E CA 1.453 57.755 56.400 -0.164 0.000 0.811 163 E CB 0.019 29.616 29.700 -0.172 0.000 0.746 163 E HN 0.548 nan 8.360 nan 0.000 0.466 164 C N 0.185 119.351 119.300 -0.223 0.000 2.435 164 C HA -0.061 3.581 4.460 -1.363 0.000 0.279 164 C C 2.469 177.466 174.990 0.011 0.000 1.321 164 C CA 0.256 59.192 59.018 -0.137 0.000 1.752 164 C CB -0.771 26.879 27.740 -0.150 0.000 1.959 164 C HN 0.482 nan 8.230 nan 0.000 0.500 165 I N 0.593 121.135 120.570 -0.047 0.000 2.252 165 I HA -0.142 3.210 4.170 -1.363 0.000 0.245 165 I C 2.577 178.587 176.117 -0.178 0.000 1.102 165 I CA 1.243 62.445 61.300 -0.164 0.000 1.385 165 I CB -0.481 37.269 38.000 -0.417 0.000 1.064 165 I HN 0.305 nan 8.210 nan 0.000 0.414 166 E N 0.962 121.072 120.200 -0.149 0.000 2.051 166 E HA -0.188 3.344 4.350 -1.363 0.000 0.192 166 E C 2.292 178.862 176.600 -0.049 0.000 0.991 166 E CA 1.405 57.736 56.400 -0.116 0.000 0.799 166 E CB -0.331 29.306 29.700 -0.105 0.000 0.748 166 E HN 0.511 nan 8.360 nan 0.000 0.449 167 I N 0.818 121.366 120.570 -0.037 0.000 2.208 167 I HA -0.206 3.147 4.170 -1.363 0.000 0.245 167 I C 2.488 178.610 176.117 0.008 0.000 1.097 167 I CA 1.381 62.663 61.300 -0.031 0.000 1.363 167 I CB -0.565 37.405 38.000 -0.050 0.000 1.051 167 I HN 0.117 nan 8.210 nan 0.000 0.413 168 G N 0.798 109.674 108.800 0.126 0.000 2.408 168 G HA2 -0.203 2.939 3.960 -1.363 0.000 0.217 168 G HA3 -0.203 2.939 3.960 -1.363 0.000 0.217 168 G C 1.726 176.832 174.900 0.343 0.000 1.150 168 G CA 0.439 45.702 45.100 0.272 0.000 0.776 168 G HN 0.322 nan 8.290 nan 0.000 0.542 169 K N 0.586 121.162 120.400 0.294 0.000 2.097 169 K HA 0.050 3.552 4.320 -1.363 0.000 0.206 169 K C 2.698 179.359 176.600 0.102 0.000 1.049 169 K CA 0.957 57.364 56.287 0.200 0.000 0.933 169 K CB -0.139 32.354 32.500 -0.013 0.000 0.717 169 K HN 0.279 nan 8.250 nan 0.000 0.442 170 A N 1.359 124.205 122.820 0.044 0.000 2.206 170 A HA -0.000 3.502 4.320 -1.363 0.000 0.211 170 A C 1.795 179.380 177.584 0.003 0.000 1.158 170 A CA 0.622 52.667 52.037 0.014 0.000 0.761 170 A CB -0.510 18.484 19.000 -0.010 0.000 0.801 170 A HN 0.474 nan 8.150 nan 0.000 0.473 171 I N -6.919 113.642 120.570 -0.014 0.000 4.240 171 I HA 0.546 3.899 4.170 -1.363 0.000 0.331 171 I C 0.987 177.165 176.117 0.102 0.000 1.381 171 I CA 0.472 61.735 61.300 -0.063 0.000 1.136 171 I CB 0.621 38.351 38.000 -0.449 0.000 1.137 171 I HN 0.230 nan 8.210 nan 0.000 0.411 172 G N 1.598 110.466 108.800 0.113 0.000 2.148 172 G HA2 -0.244 2.898 3.960 -1.363 0.000 0.203 172 G HA3 -0.244 2.898 3.960 -1.363 0.000 0.203 172 G C 0.216 175.166 174.900 0.083 0.000 0.993 172 G CA 0.182 45.362 45.100 0.133 0.000 0.661 172 G HN 0.522 nan 8.290 nan 0.000 0.518 173 S N -0.212 115.510 115.700 0.037 0.000 2.601 173 S HA 0.642 4.294 4.470 -1.363 0.000 0.271 173 S C 0.834 175.101 174.600 -0.555 0.000 1.305 173 S CA -0.003 58.084 58.200 -0.188 0.000 1.022 173 S CB 0.755 63.825 63.200 -0.216 0.000 0.940 173 S HN 0.193 nan 8.310 nan 0.000 0.525 174 K N 1.756 121.617 120.400 -0.900 0.000 2.706 174 K HA 0.488 3.990 4.320 -1.363 0.000 0.203 174 K C -0.636 175.101 176.600 -1.438 0.000 1.102 174 K CA -0.089 55.398 56.287 -1.332 0.000 1.058 174 K CB 0.684 32.902 32.500 -0.471 0.000 0.779 174 K HN 0.595 nan 8.250 nan 0.000 0.483 175 A N 0.720 122.585 122.820 -1.592 0.000 2.599 175 A HA 0.582 4.085 4.320 -1.363 0.000 0.294 175 A C -2.136 175.177 177.584 -0.452 0.000 1.055 175 A CA -0.760 50.806 52.037 -0.786 0.000 0.683 175 A CB 1.157 19.876 19.000 -0.468 0.000 1.278 175 A HN 0.112 nan 8.150 nan 0.000 0.412 176 L N 1.316 122.484 121.223 -0.092 0.000 2.319 176 L HA 0.726 4.248 4.340 -1.363 0.000 0.281 176 L C -0.335 176.602 176.870 0.113 0.000 1.005 176 L CA 0.300 55.196 54.840 0.093 0.000 0.828 176 L CB 1.621 43.809 42.059 0.216 0.000 1.227 176 L HN 0.646 nan 8.230 nan 0.000 0.415 177 T N 4.658 119.321 114.554 0.181 0.000 2.771 177 T HA 0.541 4.073 4.350 -1.363 0.000 0.291 177 T C -0.477 174.351 174.700 0.213 0.000 0.954 177 T CA -0.249 62.015 62.100 0.274 0.000 1.045 177 T CB 1.058 70.119 68.868 0.321 0.000 0.917 177 T HN 0.353 nan 8.240 nan 0.000 0.484 178 V N 4.708 124.765 119.914 0.239 0.000 2.350 178 V HA 0.460 3.762 4.120 -1.363 0.000 0.285 178 V C -0.972 175.293 176.094 0.286 0.000 1.014 178 V CA -0.963 61.466 62.300 0.216 0.000 0.831 178 V CB 0.985 32.907 31.823 0.165 0.000 1.000 178 V HN 0.929 nan 8.190 nan 0.000 0.433 179 W N 8.512 129.892 121.300 0.134 0.000 2.647 179 W HA 0.788 4.637 4.660 -1.352 0.000 0.328 179 W C -0.811 175.784 176.519 0.127 0.000 1.018 179 W CA -0.829 56.580 57.345 0.106 0.000 1.245 179 W CB 1.269 30.772 29.460 0.072 0.000 1.356 179 W HN 0.608 nan 8.180 nan 0.000 0.443 180 I N 2.597 122.665 120.570 -0.836 0.000 2.957 180 I HA 0.853 4.206 4.170 -1.363 0.000 0.310 180 I C 0.848 176.248 176.117 -1.195 0.000 1.063 180 I CA -1.127 59.701 61.300 -0.786 0.000 1.033 180 I CB 2.182 39.997 38.000 -0.310 0.000 1.230 180 I HN 0.613 nan 8.210 nan 0.000 0.447 181 G N 1.100 109.432 108.800 -0.779 0.000 3.042 181 G HA2 0.064 3.206 3.960 -1.363 0.000 0.212 181 G HA3 0.064 3.206 3.960 -1.363 0.000 0.212 181 G C -0.037 174.690 174.900 -0.288 0.000 1.166 181 G CA -0.156 44.608 45.100 -0.560 0.000 0.767 181 G HN 0.741 nan 8.290 nan 0.000 0.546 182 D N 0.891 121.156 120.400 -0.226 0.000 2.752 182 D HA 0.386 4.209 4.640 -1.363 0.000 0.225 182 D C 0.961 177.213 176.300 -0.080 0.000 1.104 182 D CA 1.900 55.842 54.000 -0.096 0.000 0.832 182 D CB 0.689 41.463 40.800 -0.042 0.000 1.161 182 D HN 0.383 nan 8.370 nan 0.000 0.505 183 G N 0.191 108.983 108.800 -0.014 0.000 2.392 183 G HA2 0.516 3.659 3.960 -1.363 0.000 0.260 183 G HA3 0.516 3.659 3.960 -1.363 0.000 0.260 183 G C -1.316 173.641 174.900 0.094 0.000 1.226 183 G CA -0.127 44.985 45.100 0.020 0.000 0.913 183 G HN 0.804 nan 8.290 nan 0.000 0.483 184 S N -1.327 114.459 115.700 0.143 0.000 2.618 184 S HA 0.674 4.326 4.470 -1.363 0.000 0.277 184 S C -0.450 174.300 174.600 0.249 0.000 1.138 184 S CA -0.659 57.684 58.200 0.239 0.000 0.844 184 S CB 2.196 65.595 63.200 0.332 0.000 1.127 184 S HN 0.431 nan 8.310 nan 0.000 0.474 185 N N -0.602 118.242 118.700 0.239 0.000 2.197 185 N HA 0.431 4.353 4.740 -1.363 0.000 0.201 185 N C -1.448 173.823 175.510 -0.398 0.000 1.148 185 N CA 0.157 53.202 53.050 -0.008 0.000 0.883 185 N CB 0.159 38.579 38.487 -0.111 0.000 1.012 185 N HN 0.592 nan 8.380 nan 0.000 0.507 186 F N 0.019 120.051 119.950 0.136 0.000 2.578 186 F HA 0.467 4.169 4.527 -1.375 0.000 0.311 186 F C -2.316 173.263 175.800 -0.368 0.000 1.094 186 F CA -2.416 55.513 58.000 -0.119 0.000 0.923 186 F CB 2.010 40.974 39.000 -0.059 0.000 1.230 186 F HN -0.307 nan 8.300 nan 0.000 0.450 187 P HA 0.236 nan 4.420 nan 0.000 0.267 187 P C 0.654 177.854 177.300 -0.167 0.000 1.205 187 P CA 1.101 63.837 63.100 -0.607 0.000 0.765 187 P CB 0.818 32.214 31.700 -0.507 0.000 0.828 188 G N 2.584 111.315 108.800 -0.115 0.000 2.299 188 G HA2 -0.364 2.778 3.960 -1.363 0.000 0.237 188 G HA3 -0.364 2.778 3.960 -1.363 0.000 0.237 188 G C 1.312 176.165 174.900 -0.079 0.000 1.027 188 G CA 0.487 45.521 45.100 -0.110 0.000 0.619 188 G HN 0.556 nan 8.290 nan 0.000 0.513 189 Q N 0.719 120.515 119.800 -0.006 0.000 2.112 189 Q HA 0.023 3.545 4.340 -1.363 0.000 0.206 189 Q C 1.019 177.007 176.000 -0.019 0.000 0.987 189 Q CA 1.899 57.711 55.803 0.015 0.000 0.858 189 Q CB -0.114 28.713 28.738 0.149 0.000 0.905 189 Q HN 0.581 nan 8.270 nan 0.000 0.420 190 S N 0.277 115.967 115.700 -0.016 0.000 2.600 190 S HA 0.326 3.978 4.470 -1.363 0.000 0.300 190 S C -0.899 173.590 174.600 -0.185 0.000 1.087 190 S CA -0.927 57.245 58.200 -0.046 0.000 0.965 190 S CB 1.571 64.805 63.200 0.056 0.000 1.089 190 S HN 0.349 nan 8.310 nan 0.000 0.496 191 N N 1.281 119.903 118.700 -0.130 0.000 2.457 191 N HA 0.187 4.110 4.740 -1.363 0.000 0.250 191 N C 0.223 175.706 175.510 -0.044 0.000 0.982 191 N CA -0.347 52.601 53.050 -0.170 0.000 0.941 191 N CB 0.186 38.630 38.487 -0.072 0.000 1.120 191 N HN 0.365 nan 8.380 nan 0.000 0.505 192 F N 2.155 122.132 119.950 0.045 0.000 2.043 192 F HA -0.223 3.488 4.527 -1.360 0.000 0.297 192 F C 2.487 178.325 175.800 0.064 0.000 1.118 192 F CA 1.393 59.409 58.000 0.027 0.000 1.202 192 F CB -1.287 37.709 39.000 -0.006 0.000 0.965 192 F HN 0.421 nan 8.300 nan 0.000 0.482 193 T N 0.088 114.802 114.554 0.266 0.000 2.674 193 T HA -0.178 3.355 4.350 -1.363 0.000 0.265 193 T C 2.105 176.913 174.700 0.180 0.000 1.039 193 T CA 1.619 63.849 62.100 0.217 0.000 1.150 193 T CB -0.304 68.652 68.868 0.147 0.000 0.864 193 T HN 0.186 nan 8.240 nan 0.000 0.427 194 R N 0.893 121.461 120.500 0.113 0.000 2.096 194 R HA 0.062 3.584 4.340 -1.363 0.000 0.235 194 R C 2.826 179.187 176.300 0.102 0.000 1.127 194 R CA 1.144 57.290 56.100 0.078 0.000 0.968 194 R CB -0.467 29.856 30.300 0.037 0.000 0.861 194 R HN 0.366 nan 8.270 nan 0.000 0.440 195 A N 0.953 123.852 122.820 0.133 0.000 1.877 195 A HA -0.198 3.304 4.320 -1.363 0.000 0.216 195 A C 1.911 179.634 177.584 0.231 0.000 1.186 195 A CA 1.123 53.251 52.037 0.152 0.000 0.620 195 A CB -0.609 18.481 19.000 0.150 0.000 0.822 195 A HN 0.333 nan 8.150 nan 0.000 0.443 196 F N 1.136 121.126 119.950 0.067 0.000 2.234 196 F HA -0.074 3.631 4.527 -1.369 0.000 0.299 196 F C 2.053 177.915 175.800 0.104 0.000 1.087 196 F CA 1.620 59.656 58.000 0.059 0.000 1.340 196 F CB -0.409 38.598 39.000 0.013 0.000 1.031 196 F HN 0.407 nan 8.300 nan 0.000 0.500 197 E N -0.318 119.889 120.200 0.012 0.000 2.072 197 E HA -0.178 3.355 4.350 -1.363 0.000 0.191 197 E C 2.355 178.918 176.600 -0.061 0.000 0.985 197 E CA 0.932 57.271 56.400 -0.103 0.000 0.801 197 E CB -0.127 29.553 29.700 -0.033 0.000 0.750 197 E HN 0.397 nan 8.360 nan 0.000 0.452 198 R N 0.025 120.538 120.500 0.022 0.000 2.073 198 R HA -0.172 3.350 4.340 -1.363 0.000 0.234 198 R C 2.381 178.700 176.300 0.032 0.000 1.134 198 R CA 1.505 57.623 56.100 0.029 0.000 0.952 198 R CB -0.526 29.813 30.300 0.066 0.000 0.850 198 R HN 0.260 nan 8.270 nan 0.000 0.433 199 Y N 1.785 122.068 120.300 -0.029 0.000 2.151 199 Y HA -0.228 3.501 4.550 -1.368 0.000 0.284 199 Y C 1.943 177.789 175.900 -0.089 0.000 1.166 199 Y CA 1.526 59.614 58.100 -0.019 0.000 1.163 199 Y CB -0.282 38.225 38.460 0.077 0.000 0.974 199 Y HN -0.024 nan 8.280 nan 0.000 0.511 200 L N -0.981 120.200 121.223 -0.070 0.000 2.046 200 L HA -0.216 3.306 4.340 -1.363 0.000 0.208 200 L C 2.839 179.590 176.870 -0.197 0.000 1.077 200 L CA 1.594 56.314 54.840 -0.200 0.000 0.747 200 L CB -0.834 41.022 42.059 -0.339 0.000 0.896 200 L HN 0.262 nan 8.230 nan 0.000 0.432 201 S N -0.260 115.348 115.700 -0.153 0.000 2.355 201 S HA -0.164 3.488 4.470 -1.363 0.000 0.222 201 S C 2.159 176.682 174.600 -0.127 0.000 1.031 201 S CA 1.212 59.340 58.200 -0.119 0.000 0.993 201 S CB -0.089 63.061 63.200 -0.083 0.000 0.859 201 S HN 0.416 nan 8.310 nan 0.000 0.453 202 A N 2.165 124.895 122.820 -0.150 0.000 1.883 202 A HA -0.061 3.441 4.320 -1.363 0.000 0.217 202 A C 2.312 179.782 177.584 -0.191 0.000 1.186 202 A CA 1.826 53.770 52.037 -0.155 0.000 0.624 202 A CB -0.704 18.198 19.000 -0.164 0.000 0.822 202 A HN 0.554 nan 8.150 nan 0.000 0.444 203 M N -0.433 118.981 119.600 -0.310 0.000 2.149 203 M HA -0.148 3.514 4.480 -1.363 0.000 0.261 203 M C 2.468 178.706 176.300 -0.103 0.000 1.064 203 M CA 1.544 56.685 55.300 -0.265 0.000 1.102 203 M CB -1.455 30.907 32.600 -0.397 0.000 1.369 203 M HN 0.519 nan 8.290 nan 0.000 0.408 204 A N 0.032 122.788 122.820 -0.108 0.000 1.902 204 A HA -0.170 3.332 4.320 -1.363 0.000 0.217 204 A C 2.049 179.637 177.584 0.007 0.000 1.181 204 A CA 1.626 53.633 52.037 -0.050 0.000 0.623 204 A CB -0.636 18.309 19.000 -0.092 0.000 0.818 204 A HN 0.568 nan 8.150 nan 0.000 0.443 205 E N -0.243 119.936 120.200 -0.035 0.000 2.077 205 E HA -0.173 3.359 4.350 -1.363 0.000 0.193 205 E C 1.842 178.427 176.600 -0.024 0.000 0.989 205 E CA 1.366 57.748 56.400 -0.030 0.000 0.800 205 E CB -0.334 29.338 29.700 -0.047 0.000 0.746 205 E HN 0.728 nan 8.360 nan 0.000 0.452 206 I N 0.117 120.669 120.570 -0.030 0.000 2.315 206 I HA -0.267 3.085 4.170 -1.363 0.000 0.248 206 I C 2.329 178.434 176.117 -0.020 0.000 1.117 206 I CA 0.973 62.250 61.300 -0.038 0.000 1.404 206 I CB -0.271 37.704 38.000 -0.042 0.000 1.071 206 I HN 0.115 nan 8.210 nan 0.000 0.419 207 Y N 2.145 122.393 120.300 -0.086 0.000 2.207 207 Y HA -0.262 3.470 4.550 -1.364 0.000 0.287 207 Y C 2.449 178.301 175.900 -0.079 0.000 1.156 207 Y CA 1.646 59.702 58.100 -0.074 0.000 1.182 207 Y CB -0.100 38.322 38.460 -0.064 0.000 0.979 207 Y HN 0.006 nan 8.280 nan 0.000 0.521 208 K N -0.898 119.536 120.400 0.057 0.000 2.063 208 K HA -0.135 3.367 4.320 -1.363 0.000 0.208 208 K C 2.055 178.580 176.600 -0.125 0.000 1.048 208 K CA 1.247 57.525 56.287 -0.015 0.000 0.928 208 K CB -0.632 31.866 32.500 -0.004 0.000 0.713 208 K HN 0.411 nan 8.250 nan 0.000 0.442 209 G N 1.112 109.826 108.800 -0.144 0.000 3.026 209 G HA2 -0.004 3.138 3.960 -1.363 0.000 0.208 209 G HA3 -0.004 3.138 3.960 -1.363 0.000 0.208 209 G C 0.077 174.797 174.900 -0.300 0.000 1.169 209 G CA -0.282 44.699 45.100 -0.198 0.000 0.788 209 G HN 0.047 nan 8.290 nan 0.000 0.533 210 L N 1.472 122.491 121.223 -0.340 0.000 2.281 210 L HA 0.473 3.995 4.340 -1.363 0.000 0.285 210 L C -2.203 174.420 176.870 -0.412 0.000 1.074 210 L CA -1.956 52.636 54.840 -0.414 0.000 0.817 210 L CB 1.285 43.077 42.059 -0.445 0.000 1.168 210 L HN -0.179 nan 8.230 nan 0.000 0.434 211 P HA 0.127 nan 4.420 nan 0.000 0.271 211 P C -0.314 176.886 177.300 -0.167 0.000 1.218 211 P CA -0.164 62.713 63.100 -0.372 0.000 0.780 211 P CB 0.618 31.965 31.700 -0.589 0.000 0.901 212 D N 0.648 120.985 120.400 -0.105 0.000 2.218 212 D HA -0.154 3.668 4.640 -1.363 0.000 0.204 212 D C 1.060 177.378 176.300 0.030 0.000 0.976 212 D CA 1.266 55.242 54.000 -0.041 0.000 0.853 212 D CB -0.325 40.458 40.800 -0.028 0.000 0.939 212 D HN 0.524 nan 8.370 nan 0.000 0.481 213 D N -1.420 119.034 120.400 0.090 0.000 2.340 213 D HA -0.078 3.744 4.640 -1.363 0.000 0.220 213 D C 0.119 176.570 176.300 0.252 0.000 1.039 213 D CA -0.180 53.912 54.000 0.152 0.000 0.866 213 D CB -0.263 40.632 40.800 0.157 0.000 0.913 213 D HN 0.121 nan 8.370 nan 0.000 0.523 214 W N 0.890 122.117 121.300 -0.122 0.000 2.576 214 W HA 0.489 4.330 4.660 -1.365 0.000 0.360 214 W C 0.414 176.796 176.519 -0.230 0.000 1.109 214 W CA -0.812 56.432 57.345 -0.169 0.000 1.237 214 W CB 1.185 30.534 29.460 -0.184 0.000 1.369 214 W HN -0.441 nan 8.180 nan 0.000 0.609 215 K N 2.084 122.382 120.400 -0.169 0.000 2.316 215 K HA 0.478 3.980 4.320 -1.363 0.000 0.251 215 K C -1.504 174.766 176.600 -0.550 0.000 0.934 215 K CA -1.266 54.763 56.287 -0.430 0.000 0.802 215 K CB 2.276 34.282 32.500 -0.823 0.000 1.171 215 K HN 0.372 nan 8.250 nan 0.000 0.426 216 L N 3.901 124.937 121.223 -0.311 0.000 2.272 216 L HA 0.405 3.927 4.340 -1.363 0.000 0.284 216 L C -1.412 175.432 176.870 -0.044 0.000 1.045 216 L CA -0.213 54.548 54.840 -0.131 0.000 0.842 216 L CB -0.171 41.928 42.059 0.066 0.000 1.224 216 L HN 0.286 nan 8.230 nan 0.000 0.430 217 F N 3.111 123.126 119.950 0.108 0.000 2.391 217 F HA 0.497 4.206 4.527 -1.364 0.000 0.359 217 F C 0.804 176.673 175.800 0.114 0.000 1.122 217 F CA -0.763 57.290 58.000 0.089 0.000 1.120 217 F CB 1.031 40.057 39.000 0.043 0.000 1.142 217 F HN 0.548 nan 8.300 nan 0.000 0.483 218 S N 1.984 117.884 115.700 0.334 0.000 2.489 218 S HA 0.536 4.189 4.470 -1.363 0.000 0.291 218 S C -0.636 174.110 174.600 0.243 0.000 1.151 218 S CA -0.874 57.502 58.200 0.294 0.000 1.082 218 S CB 1.988 65.383 63.200 0.325 0.000 1.019 218 S HN 0.687 nan 8.310 nan 0.000 0.492 219 E N 2.604 122.949 120.200 0.241 0.000 2.155 219 E HA 0.211 3.744 4.350 -1.363 0.000 0.264 219 E C -0.351 176.395 176.600 0.245 0.000 0.886 219 E CA -0.759 55.742 56.400 0.169 0.000 0.752 219 E CB 0.657 30.444 29.700 0.144 0.000 1.133 219 E HN 0.930 nan 8.360 nan 0.000 0.414 220 H N 3.183 122.365 119.070 0.187 0.000 2.547 220 H HA 0.538 4.276 4.556 -1.364 0.000 0.362 220 H C -0.846 174.594 175.328 0.186 0.000 1.181 220 H CA -0.628 55.507 56.048 0.146 0.000 1.376 220 H CB 1.420 31.239 29.762 0.094 0.000 1.488 220 H HN 0.382 nan 8.280 nan 0.000 0.583 221 K N 2.251 122.738 120.400 0.145 0.000 2.557 221 K HA 0.105 3.607 4.320 -1.363 0.000 0.257 221 K C 0.595 177.196 176.600 0.001 0.000 0.933 221 K CA -0.618 55.635 56.287 -0.057 0.000 0.820 221 K CB 2.733 35.111 32.500 -0.204 0.000 1.330 221 K HN 0.695 nan 8.250 nan 0.000 0.432 222 M N 3.008 122.622 119.600 0.023 0.000 2.086 222 M HA -0.085 3.578 4.480 -1.363 0.000 0.261 222 M C -0.381 176.030 176.300 0.185 0.000 1.067 222 M CA 1.641 57.018 55.300 0.128 0.000 1.116 222 M CB 0.153 32.903 32.600 0.250 0.000 1.348 222 M HN 0.609 nan 8.290 nan 0.000 0.407 223 Y N -2.146 118.116 120.300 -0.063 0.000 2.713 223 Y HA 0.513 4.242 4.550 -1.367 0.000 0.335 223 Y C -1.174 174.667 175.900 -0.099 0.000 1.222 223 Y CA -1.819 56.239 58.100 -0.072 0.000 1.061 223 Y CB 0.271 38.745 38.460 0.023 0.000 1.314 223 Y HN 0.342 nan 8.280 nan 0.000 0.453 224 E N 1.704 121.742 120.200 -0.269 0.000 7.504 224 E HA -0.114 3.418 4.350 -1.363 0.000 0.337 224 E C -2.371 174.102 176.600 -0.211 0.000 0.701 224 E CA 0.470 56.634 56.400 -0.394 0.000 1.302 224 E CB 0.159 29.666 29.700 -0.321 0.000 0.927 224 E HN 0.657 nan 8.360 nan 0.000 0.263 225 P HA -0.046 nan 4.420 nan 0.000 0.223 225 P C 0.341 177.156 177.300 -0.808 0.000 1.151 225 P CA 1.302 64.148 63.100 -0.423 0.000 0.787 225 P CB 0.146 31.747 31.700 -0.163 0.000 0.788 226 A N -0.316 122.199 122.820 -0.509 0.000 2.409 226 A HA 0.337 3.840 4.320 -1.363 0.000 0.267 226 A C 0.104 177.447 177.584 -0.402 0.000 1.127 226 A CA -0.312 51.497 52.037 -0.381 0.000 0.795 226 A CB -0.446 18.465 19.000 -0.148 0.000 1.061 226 A HN -0.028 nan 8.150 nan 0.000 0.502 227 F N 1.022 121.026 119.950 0.090 0.000 2.695 227 F HA 0.162 3.870 4.527 -1.365 0.000 0.303 227 F C 1.145 176.990 175.800 0.075 0.000 1.091 227 F CA 0.245 58.295 58.000 0.084 0.000 1.300 227 F CB -0.097 38.923 39.000 0.033 0.000 1.071 227 F HN 0.812 nan 8.300 nan 0.000 0.578 228 Y N 0.096 120.452 120.300 0.093 0.000 2.678 228 Y HA 0.343 4.070 4.550 -1.372 0.000 0.274 228 Y C 0.628 176.572 175.900 0.073 0.000 1.114 228 Y CA 0.320 58.458 58.100 0.064 0.000 1.274 228 Y CB 0.188 38.678 38.460 0.050 0.000 1.438 228 Y HN -0.130 nan 8.280 nan 0.000 0.493 229 S N -0.472 115.100 115.700 -0.214 0.000 2.556 229 S HA 0.716 4.368 4.470 -1.363 0.000 0.271 229 S C -1.067 173.470 174.600 -0.105 0.000 1.135 229 S CA -0.511 57.520 58.200 -0.281 0.000 0.858 229 S CB 2.094 65.146 63.200 -0.246 0.000 1.114 229 S HN 0.073 nan 8.310 nan 0.000 0.468 230 T N 2.116 116.581 114.554 -0.149 0.000 2.881 230 T HA 0.429 3.962 4.350 -1.363 0.000 0.290 230 T C 1.268 175.862 174.700 -0.176 0.000 1.000 230 T CA -0.626 61.397 62.100 -0.129 0.000 0.978 230 T CB 1.615 70.415 68.868 -0.114 0.000 0.997 230 T HN 0.537 nan 8.240 nan 0.000 0.443 231 V N 2.827 122.644 119.914 -0.162 0.000 2.231 231 V HA -0.091 3.211 4.120 -1.363 0.000 0.248 231 V C 1.285 177.161 176.094 -0.362 0.000 1.054 231 V CA 1.484 63.652 62.300 -0.220 0.000 1.015 231 V CB -0.295 31.425 31.823 -0.171 0.000 0.638 231 V HN 0.719 nan 8.190 nan 0.000 0.444 232 V N 3.193 122.910 119.914 -0.327 0.000 2.174 232 V HA 0.128 3.431 4.120 -1.363 0.000 0.259 232 V C 1.279 177.306 176.094 -0.111 0.000 1.261 232 V CA -0.021 62.120 62.300 -0.265 0.000 1.137 232 V CB 0.570 32.268 31.823 -0.208 0.000 1.290 232 V HN 0.632 nan 8.190 nan 0.000 0.486 233 Q N 2.399 122.105 119.800 -0.157 0.000 2.163 233 Q HA -0.012 3.510 4.340 -1.363 0.000 0.198 233 Q C 0.189 176.210 176.000 0.036 0.000 0.954 233 Q CA 1.508 57.266 55.803 -0.076 0.000 0.851 233 Q CB 0.415 29.056 28.738 -0.161 0.000 0.928 233 Q HN 0.773 nan 8.270 nan 0.000 0.459 234 D N -1.977 118.394 120.400 -0.050 0.000 2.664 234 D HA 0.056 3.878 4.640 -1.363 0.000 0.292 234 D C 0.962 176.994 176.300 -0.447 0.000 1.214 234 D CA -0.500 53.443 54.000 -0.096 0.000 0.932 234 D CB -0.830 39.944 40.800 -0.043 0.000 1.420 234 D HN 0.144 nan 8.370 nan 0.000 0.471 235 W N 0.596 121.416 121.300 -0.801 0.000 2.392 235 W HA 0.060 3.903 4.660 -1.362 0.000 0.279 235 W C 1.146 177.527 176.519 -0.230 0.000 1.225 235 W CA 1.206 58.184 57.345 -0.613 0.000 1.233 235 W CB -1.524 27.710 29.460 -0.377 0.000 1.122 235 W HN 0.456 nan 8.180 nan 0.000 0.561 236 G N 1.605 109.760 108.800 -1.075 0.000 2.459 236 G HA2 -0.303 2.839 3.960 -1.363 0.000 0.217 236 G HA3 -0.303 2.839 3.960 -1.363 0.000 0.217 236 G C 1.519 176.147 174.900 -0.453 0.000 1.183 236 G CA 2.420 46.923 45.100 -0.995 0.000 0.776 236 G HN 0.308 nan 8.290 nan 0.000 0.552 237 T N 0.930 115.256 114.554 -0.379 0.000 2.777 237 T HA -0.136 3.396 4.350 -1.363 0.000 0.266 237 T C 2.340 176.973 174.700 -0.112 0.000 1.040 237 T CA 1.235 63.148 62.100 -0.313 0.000 1.141 237 T CB -0.317 68.264 68.868 -0.479 0.000 0.868 237 T HN 0.250 nan 8.240 nan 0.000 0.444 238 N N 0.568 119.226 118.700 -0.070 0.000 2.137 238 N HA -0.144 3.779 4.740 -1.363 0.000 0.190 238 N C 1.558 177.143 175.510 0.125 0.000 1.017 238 N CA 1.301 54.407 53.050 0.093 0.000 0.859 238 N CB -0.458 38.139 38.487 0.185 0.000 1.002 238 N HN 0.507 nan 8.380 nan 0.000 0.428 239 Y N 0.920 121.207 120.300 -0.022 0.000 2.200 239 Y HA 0.003 3.736 4.550 -1.363 0.000 0.290 239 Y C 2.154 178.055 175.900 0.002 0.000 1.137 239 Y CA 1.207 59.306 58.100 -0.002 0.000 1.163 239 Y CB -0.367 38.028 38.460 -0.109 0.000 0.988 239 Y HN 0.043 nan 8.280 nan 0.000 0.518 240 L N -0.508 120.661 121.223 -0.090 0.000 2.046 240 L HA -0.245 3.277 4.340 -1.363 0.000 0.208 240 L C 2.392 179.239 176.870 -0.039 0.000 1.077 240 L CA 1.563 56.356 54.840 -0.079 0.000 0.747 240 L CB -0.646 41.480 42.059 0.112 0.000 0.896 240 L HN 0.256 nan 8.230 nan 0.000 0.432 241 I N 0.007 120.643 120.570 0.109 0.000 2.076 241 I HA -0.336 3.016 4.170 -1.363 0.000 0.237 241 I C 2.863 178.985 176.117 0.009 0.000 1.059 241 I CA 1.451 62.839 61.300 0.145 0.000 1.317 241 I CB -0.558 37.622 38.000 0.301 0.000 1.037 241 I HN 0.207 nan 8.210 nan 0.000 0.398 242 A N -0.012 122.809 122.820 0.000 0.000 1.892 242 A HA -0.341 3.161 4.320 -1.363 0.000 0.218 242 A C 2.222 179.721 177.584 -0.142 0.000 1.188 242 A CA 2.347 54.371 52.037 -0.021 0.000 0.631 242 A CB -0.805 18.223 19.000 0.047 0.000 0.822 242 A HN 0.481 nan 8.150 nan 0.000 0.447 243 Q N -0.388 119.211 119.800 -0.335 0.000 2.061 243 Q HA -0.134 3.389 4.340 -1.363 0.000 0.204 243 Q C 2.084 177.956 176.000 -0.213 0.000 0.984 243 Q CA 2.749 58.339 55.803 -0.355 0.000 0.846 243 Q CB -1.058 27.300 28.738 -0.634 0.000 0.902 243 Q HN 0.603 nan 8.270 nan 0.000 0.421 244 T N 0.972 115.409 114.554 -0.195 0.000 2.708 244 T HA -0.106 3.426 4.350 -1.363 0.000 0.266 244 T C 1.767 176.335 174.700 -0.220 0.000 1.037 244 T CA 1.453 63.451 62.100 -0.169 0.000 1.146 244 T CB -0.301 68.479 68.868 -0.146 0.000 0.865 244 T HN 0.227 nan 8.240 nan 0.000 0.435 245 L N 0.212 121.287 121.223 -0.246 0.000 2.083 245 L HA 0.181 3.703 4.340 -1.363 0.000 0.209 245 L C 1.463 177.856 176.870 -0.795 0.000 1.083 245 L CA 0.829 55.405 54.840 -0.439 0.000 0.752 245 L CB -0.668 41.220 42.059 -0.285 0.000 0.899 245 L HN 0.532 nan 8.230 nan 0.000 0.433 246 G N -2.554 105.975 108.800 -0.452 0.000 2.339 246 G HA2 -0.018 3.124 3.960 -1.363 0.000 0.381 246 G HA3 -0.018 3.124 3.960 -1.363 0.000 0.381 246 G C -2.596 172.310 174.900 0.010 0.000 1.400 246 G CA -0.655 44.251 45.100 -0.324 0.000 1.002 246 G HN -0.249 nan 8.290 nan 0.000 0.633 247 P HA -0.057 nan 4.420 nan 0.000 0.219 247 P C 1.329 178.745 177.300 0.193 0.000 1.144 247 P CA 1.378 64.566 63.100 0.146 0.000 0.806 247 P CB 0.094 31.872 31.700 0.130 0.000 0.771 248 K N -1.541 119.040 120.400 0.302 0.000 2.374 248 K HA 0.298 3.800 4.320 -1.363 0.000 0.196 248 K C 0.600 177.337 176.600 0.229 0.000 1.023 248 K CA -0.179 56.235 56.287 0.211 0.000 1.103 248 K CB 0.455 32.990 32.500 0.058 0.000 0.848 248 K HN 0.025 nan 8.250 nan 0.000 0.528 249 A N 1.944 124.957 122.820 0.322 0.000 2.252 249 A HA 0.297 3.799 4.320 -1.363 0.000 0.309 249 A C -0.522 177.192 177.584 0.216 0.000 1.285 249 A CA -0.386 51.800 52.037 0.249 0.000 0.900 249 A CB 0.428 19.547 19.000 0.197 0.000 1.157 249 A HN 0.107 nan 8.150 nan 0.000 0.536 250 Q N 0.677 120.653 119.800 0.294 0.000 2.458 250 Q HA 0.462 3.984 4.340 -1.363 0.000 0.282 250 Q C -1.202 175.007 176.000 0.349 0.000 1.106 250 Q CA -0.803 55.207 55.803 0.346 0.000 0.814 250 Q CB 2.227 31.233 28.738 0.447 0.000 1.425 250 Q HN 0.758 nan 8.270 nan 0.000 0.437 251 C N 1.507 120.947 119.300 0.233 0.000 2.388 251 C HA 0.521 4.163 4.460 -1.363 0.000 0.362 251 C C 0.010 174.996 174.990 -0.006 0.000 1.266 251 C CA -0.626 58.500 59.018 0.179 0.000 2.028 251 C CB -0.363 27.515 27.740 0.231 0.000 2.440 251 C HN 0.630 nan 8.230 nan 0.000 0.547 252 L N 3.445 124.634 121.223 -0.056 0.000 2.307 252 L HA 0.646 4.168 4.340 -1.363 0.000 0.284 252 L C -0.851 175.844 176.870 -0.291 0.000 1.023 252 L CA -0.202 54.440 54.840 -0.330 0.000 0.810 252 L CB 1.135 42.948 42.059 -0.410 0.000 1.231 252 L HN 0.502 nan 8.230 nan 0.000 0.423 253 V N 4.277 123.948 119.914 -0.405 0.000 2.313 253 V HA 0.258 3.561 4.120 -1.363 0.000 0.278 253 V C -0.335 175.591 176.094 -0.280 0.000 1.017 253 V CA -0.615 61.538 62.300 -0.246 0.000 0.823 253 V CB 1.284 32.985 31.823 -0.203 0.000 1.010 253 V HN 0.638 nan 8.190 nan 0.000 0.443 254 D N 4.607 124.769 120.400 -0.396 0.000 2.317 254 D HA 0.279 4.101 4.640 -1.363 0.000 0.234 254 D C 1.224 177.369 176.300 -0.257 0.000 1.112 254 D CA -0.369 53.351 54.000 -0.467 0.000 0.840 254 D CB 1.625 41.742 40.800 -1.139 0.000 1.078 254 D HN 0.347 nan 8.370 nan 0.000 0.486 255 L N 3.125 124.315 121.223 -0.054 0.000 2.010 255 L HA -0.209 3.313 4.340 -1.363 0.000 0.219 255 L C 2.146 179.104 176.870 0.148 0.000 1.077 255 L CA 1.967 56.874 54.840 0.112 0.000 0.773 255 L CB -0.753 41.359 42.059 0.088 0.000 0.892 255 L HN 0.500 nan 8.230 nan 0.000 0.436 256 G N -2.303 106.515 108.800 0.029 0.000 2.956 256 G HA2 -0.109 3.033 3.960 -1.363 0.000 0.207 256 G HA3 -0.109 3.033 3.960 -1.363 0.000 0.207 256 G C 0.856 175.829 174.900 0.121 0.000 1.162 256 G CA -0.160 44.996 45.100 0.094 0.000 0.796 256 G HN 0.571 nan 8.290 nan 0.000 0.527 257 H N 0.011 118.903 119.070 -0.295 0.000 2.610 257 H HA 0.175 3.915 4.556 -1.360 0.000 0.302 257 H C -0.045 174.972 175.328 -0.519 0.000 1.063 257 H CA -0.473 55.312 56.048 -0.439 0.000 1.159 257 H CB 0.254 29.691 29.762 -0.541 0.000 1.427 257 H HN 0.339 nan 8.280 nan 0.000 0.553 258 H N -0.239 118.955 119.070 0.206 0.000 2.731 258 H HA 0.416 4.155 4.556 -1.362 0.000 0.368 258 H C 0.026 175.460 175.328 0.177 0.000 1.168 258 H CA -0.890 55.276 56.048 0.196 0.000 1.181 258 H CB 1.463 31.323 29.762 0.162 0.000 1.743 258 H HN 0.243 nan 8.280 nan 0.000 0.547 259 A N 2.192 125.182 122.820 0.284 0.000 2.466 259 A HA 0.219 3.721 4.320 -1.363 0.000 0.238 259 A C -2.154 175.527 177.584 0.163 0.000 1.074 259 A CA -0.921 51.232 52.037 0.193 0.000 0.774 259 A CB -0.708 18.373 19.000 0.135 0.000 1.015 259 A HN 0.392 nan 8.150 nan 0.000 0.498 260 P HA 0.069 nan 4.420 nan 0.000 0.264 260 P C -0.061 177.281 177.300 0.070 0.000 1.183 260 P CA 0.599 63.756 63.100 0.095 0.000 0.763 260 P CB 0.218 31.964 31.700 0.076 0.000 0.807 261 N N -1.163 117.570 118.700 0.056 0.000 2.909 261 N HA -0.130 3.792 4.740 -1.363 0.000 0.242 261 N C -0.425 175.100 175.510 0.026 0.000 0.975 261 N CA 1.093 54.163 53.050 0.034 0.000 0.921 261 N CB -2.385 36.118 38.487 0.027 0.000 1.112 261 N HN 0.378 nan 8.380 nan 0.000 0.581 262 T N 1.716 116.296 114.554 0.043 0.000 2.940 262 T HA -0.013 3.519 4.350 -1.363 0.000 0.309 262 T C 0.801 175.472 174.700 -0.049 0.000 1.056 262 T CA -0.083 62.024 62.100 0.013 0.000 1.137 262 T CB 0.663 69.557 68.868 0.043 0.000 0.976 262 T HN 0.143 nan 8.240 nan 0.000 0.547 263 N N 2.976 121.627 118.700 -0.082 0.000 2.482 263 N HA 0.116 4.038 4.740 -1.363 0.000 0.242 263 N C 0.995 176.385 175.510 -0.200 0.000 1.100 263 N CA -0.173 52.808 53.050 -0.114 0.000 0.946 263 N CB 0.071 38.498 38.487 -0.101 0.000 1.227 263 N HN 0.547 nan 8.380 nan 0.000 0.508 264 I N 2.021 122.463 120.570 -0.214 0.000 2.315 264 I HA -0.229 3.123 4.170 -1.363 0.000 0.248 264 I C 2.231 178.210 176.117 -0.231 0.000 1.117 264 I CA 0.742 61.859 61.300 -0.305 0.000 1.404 264 I CB -0.037 37.822 38.000 -0.236 0.000 1.071 264 I HN 0.533 nan 8.210 nan 0.000 0.419 265 E N 1.561 121.659 120.200 -0.170 0.000 2.204 265 E HA -0.299 3.233 4.350 -1.363 0.000 0.195 265 E C 2.092 178.589 176.600 -0.172 0.000 0.990 265 E CA 1.414 57.726 56.400 -0.146 0.000 0.821 265 E CB -0.605 29.002 29.700 -0.155 0.000 0.750 265 E HN 0.593 nan 8.360 nan 0.000 0.477 266 M N 0.540 120.013 119.600 -0.213 0.000 2.200 266 M HA -0.079 3.583 4.480 -1.363 0.000 0.265 266 M C 1.893 177.958 176.300 -0.392 0.000 1.066 266 M CA 1.008 56.163 55.300 -0.241 0.000 1.127 266 M CB 0.084 32.559 32.600 -0.207 0.000 1.379 266 M HN -0.038 nan 8.290 nan 0.000 0.420 267 I N 0.225 120.478 120.570 -0.529 0.000 2.208 267 I HA -0.217 3.135 4.170 -1.363 0.000 0.245 267 I C 2.418 178.214 176.117 -0.534 0.000 1.097 267 I CA 1.126 61.904 61.300 -0.870 0.000 1.363 267 I CB -1.629 35.894 38.000 -0.795 0.000 1.051 267 I HN 0.190 nan 8.210 nan 0.000 0.413 268 V N 1.394 121.142 119.914 -0.277 0.000 2.343 268 V HA -0.261 3.041 4.120 -1.363 0.000 0.247 268 V C 2.824 178.864 176.094 -0.090 0.000 1.051 268 V CA 1.856 64.098 62.300 -0.095 0.000 1.036 268 V CB -1.157 30.732 31.823 0.109 0.000 0.654 268 V HN 0.467 nan 8.190 nan 0.000 0.451 269 A N -0.292 122.448 122.820 -0.133 0.000 1.898 269 A HA -0.164 3.339 4.320 -1.363 0.000 0.216 269 A C 2.371 179.899 177.584 -0.094 0.000 1.181 269 A CA 1.306 53.277 52.037 -0.109 0.000 0.620 269 A CB -0.422 18.510 19.000 -0.114 0.000 0.819 269 A HN 0.387 nan 8.150 nan 0.000 0.442 270 R N -0.240 120.158 120.500 -0.170 0.000 2.070 270 R HA -0.065 3.458 4.340 -1.363 0.000 0.233 270 R C 2.112 178.464 176.300 0.085 0.000 1.137 270 R CA 1.395 57.447 56.100 -0.080 0.000 0.945 270 R CB -1.156 28.908 30.300 -0.394 0.000 0.845 270 R HN 0.586 nan 8.270 nan 0.000 0.430 271 L N 0.332 121.549 121.223 -0.011 0.000 2.083 271 L HA -0.149 3.373 4.340 -1.363 0.000 0.209 271 L C 2.482 179.450 176.870 0.163 0.000 1.083 271 L CA 1.062 55.989 54.840 0.145 0.000 0.752 271 L CB -0.399 41.714 42.059 0.089 0.000 0.899 271 L HN 0.123 nan 8.230 nan 0.000 0.433 272 I N -0.637 119.974 120.570 0.069 0.000 2.226 272 I HA -0.322 3.030 4.170 -1.363 0.000 0.245 272 I C 2.726 178.837 176.117 -0.010 0.000 1.100 272 I CA 1.248 62.558 61.300 0.017 0.000 1.374 272 I CB -0.257 37.665 38.000 -0.130 0.000 1.057 272 I HN 0.365 nan 8.210 nan 0.000 0.413 273 Q N 0.714 120.510 119.800 -0.007 0.000 2.135 273 Q HA -0.194 3.329 4.340 -1.363 0.000 0.204 273 Q C 1.407 177.266 176.000 -0.235 0.000 0.981 273 Q CA 1.763 57.493 55.803 -0.122 0.000 0.856 273 Q CB 0.034 28.712 28.738 -0.100 0.000 0.902 273 Q HN 0.466 nan 8.270 nan 0.000 0.425 274 F N -0.642 119.331 119.950 0.037 0.000 2.660 274 F HA 0.298 4.008 4.527 -1.362 0.000 0.297 274 F C 1.200 177.104 175.800 0.173 0.000 1.132 274 F CA 0.303 58.367 58.000 0.106 0.000 1.372 274 F CB 0.656 39.711 39.000 0.091 0.000 1.003 274 F HN 0.181 nan 8.300 nan 0.000 0.524 275 G N 0.793 109.719 108.800 0.211 0.000 2.258 275 G HA2 -0.331 2.811 3.960 -1.363 0.000 0.274 275 G HA3 -0.331 2.811 3.960 -1.363 0.000 0.274 275 G C 1.037 176.093 174.900 0.259 0.000 1.021 275 G CA 0.243 45.468 45.100 0.207 0.000 0.798 275 G HN 0.244 nan 8.290 nan 0.000 0.507 276 K N -0.882 119.702 120.400 0.306 0.000 2.537 276 K HA 0.283 3.785 4.320 -1.363 0.000 0.206 276 K C 0.564 177.299 176.600 0.225 0.000 1.041 276 K CA -0.545 55.920 56.287 0.297 0.000 1.090 276 K CB 0.604 33.347 32.500 0.405 0.000 0.833 276 K HN 0.408 nan 8.250 nan 0.000 0.493 277 L N 1.040 122.371 121.223 0.180 0.000 2.334 277 L HA 0.278 3.800 4.340 -1.363 0.000 0.286 277 L C 1.168 178.039 176.870 0.003 0.000 1.108 277 L CA 0.191 55.064 54.840 0.056 0.000 0.875 277 L CB 0.773 42.887 42.059 0.092 0.000 1.246 277 L HN 0.215 nan 8.230 nan 0.000 0.439 278 G N 3.051 111.798 108.800 -0.089 0.000 2.394 278 G HA2 0.393 3.535 3.960 -1.363 0.000 0.215 278 G HA3 0.393 3.535 3.960 -1.363 0.000 0.215 278 G C 0.565 175.100 174.900 -0.609 0.000 1.165 278 G CA 0.680 45.651 45.100 -0.215 0.000 0.784 278 G HN 0.994 nan 8.290 nan 0.000 0.535 279 G N -2.043 106.356 108.800 -0.668 0.000 2.320 279 G HA2 0.442 3.584 3.960 -1.363 0.000 0.296 279 G HA3 0.442 3.584 3.960 -1.363 0.000 0.296 279 G C -1.789 172.719 174.900 -0.653 0.000 1.306 279 G CA -1.061 43.694 45.100 -0.575 0.000 0.836 279 G HN 0.050 nan 8.290 nan 0.000 0.517 280 F N -0.221 119.603 119.950 -0.210 0.000 2.523 280 F HA 0.638 4.348 4.527 -1.362 0.000 0.329 280 F C 0.439 176.100 175.800 -0.232 0.000 1.061 280 F CA -0.467 57.300 58.000 -0.389 0.000 0.967 280 F CB 2.378 40.864 39.000 -0.857 0.000 1.218 280 F HN 0.332 nan 8.300 nan 0.000 0.480 281 H N 2.179 121.068 119.070 -0.301 0.000 2.866 281 H HA 0.289 4.027 4.556 -1.364 0.000 0.287 281 H C -1.089 174.095 175.328 -0.240 0.000 1.106 281 H CA -0.768 55.158 56.048 -0.203 0.000 1.396 281 H CB 0.869 30.501 29.762 -0.216 0.000 1.469 281 H HN 0.349 nan 8.280 nan 0.000 0.500 282 F N 3.034 123.074 119.950 0.150 0.000 2.418 282 F HA 0.132 3.842 4.527 -1.362 0.000 0.341 282 F C 0.735 176.562 175.800 0.046 0.000 1.120 282 F CA 0.042 58.093 58.000 0.085 0.000 1.232 282 F CB 0.802 39.852 39.000 0.083 0.000 1.175 282 F HN 0.721 nan 8.300 nan 0.000 0.569 283 N N -0.909 117.940 118.700 0.248 0.000 4.001 283 N HA 0.228 4.150 4.740 -1.363 0.000 0.234 283 N C -2.192 173.399 175.510 0.134 0.000 1.314 283 N CA -0.963 52.175 53.050 0.146 0.000 0.781 283 N CB 0.675 39.204 38.487 0.071 0.000 1.509 283 N HN 0.356 nan 8.380 nan 0.000 0.421 284 D N -1.584 118.879 120.400 0.105 0.000 2.533 284 D HA 0.837 4.659 4.640 -1.363 0.000 0.247 284 D C -1.134 175.218 176.300 0.086 0.000 1.056 284 D CA 0.057 54.116 54.000 0.099 0.000 1.054 284 D CB 2.030 42.888 40.800 0.096 0.000 1.400 284 D HN 0.889 nan 8.370 nan 0.000 0.533 285 S N -0.634 115.113 115.700 0.078 0.000 2.627 285 S HA 0.384 4.037 4.470 -1.363 0.000 0.268 285 S C -0.175 174.439 174.600 0.023 0.000 1.130 285 S CA -0.737 57.509 58.200 0.077 0.000 0.819 285 S CB 2.253 65.510 63.200 0.095 0.000 1.100 285 S HN 0.504 nan 8.310 nan 0.000 0.465 286 K N -1.036 119.349 120.400 -0.026 0.000 2.603 286 K HA 0.320 3.823 4.320 -1.363 0.000 0.205 286 K C 0.155 176.514 176.600 -0.403 0.000 1.500 286 K CA -0.033 56.093 56.287 -0.267 0.000 1.059 286 K CB 0.155 32.373 32.500 -0.471 0.000 1.416 286 K HN 0.649 nan 8.250 nan 0.000 0.562 287 Y N -0.391 119.968 120.300 0.098 0.000 2.447 287 Y HA 0.397 4.129 4.550 -1.363 0.000 0.286 287 Y C 1.517 177.510 175.900 0.154 0.000 1.153 287 Y CA 0.477 58.645 58.100 0.113 0.000 1.241 287 Y CB 0.414 38.938 38.460 0.107 0.000 1.284 287 Y HN 0.132 nan 8.280 nan 0.000 0.520 288 G N -1.049 107.947 108.800 0.327 0.000 3.253 288 G HA2 0.160 3.302 3.960 -1.363 0.000 0.175 288 G HA3 0.160 3.302 3.960 -1.363 0.000 0.175 288 G C -1.341 173.647 174.900 0.147 0.000 1.098 288 G CA -0.288 44.980 45.100 0.280 0.000 0.790 288 G HN -0.046 nan 8.290 nan 0.000 0.648 289 D N 0.766 121.182 120.400 0.025 0.000 2.558 289 D HA 0.259 4.081 4.640 -1.363 0.000 0.221 289 D C 0.358 176.680 176.300 0.037 0.000 1.143 289 D CA -0.354 53.652 54.000 0.010 0.000 1.010 289 D CB 0.134 40.858 40.800 -0.127 0.000 1.068 289 D HN 0.134 nan 8.370 nan 0.000 0.511 290 D N 1.263 121.717 120.400 0.089 0.000 2.312 290 D HA -0.104 3.719 4.640 -1.363 0.000 0.211 290 D C 0.209 176.545 176.300 0.061 0.000 0.964 290 D CA 0.320 54.380 54.000 0.100 0.000 0.877 290 D CB 0.011 40.902 40.800 0.152 0.000 0.924 290 D HN 0.426 nan 8.370 nan 0.000 0.515 291 D N 0.139 120.564 120.400 0.041 0.000 2.701 291 D HA -0.185 3.637 4.640 -1.363 0.000 0.235 291 D C 0.112 176.414 176.300 0.003 0.000 1.155 291 D CA 0.396 54.401 54.000 0.009 0.000 0.649 291 D CB -1.290 39.497 40.800 -0.022 0.000 1.050 291 D HN 0.332 nan 8.370 nan 0.000 0.425 292 L N -0.049 121.203 121.223 0.048 0.000 2.479 292 L HA 0.203 3.725 4.340 -1.363 0.000 0.249 292 L C 1.009 177.930 176.870 0.085 0.000 1.178 292 L CA -0.599 54.281 54.840 0.067 0.000 0.811 292 L CB 0.376 42.488 42.059 0.089 0.000 1.187 292 L HN -0.190 nan 8.230 nan 0.000 0.480 293 D N 1.122 121.590 120.400 0.113 0.000 2.493 293 D HA 0.208 4.030 4.640 -1.363 0.000 0.240 293 D C 0.123 176.485 176.300 0.103 0.000 1.142 293 D CA 0.233 54.308 54.000 0.124 0.000 0.872 293 D CB 0.714 41.579 40.800 0.109 0.000 1.173 293 D HN 0.581 nan 8.370 nan 0.000 0.467 294 A N 2.234 125.119 122.820 0.109 0.000 2.567 294 A HA 0.416 3.918 4.320 -1.363 0.000 0.240 294 A C 1.645 179.282 177.584 0.088 0.000 1.053 294 A CA 0.464 52.569 52.037 0.113 0.000 0.755 294 A CB -0.404 18.661 19.000 0.109 0.000 0.978 294 A HN 0.988 nan 8.150 nan 0.000 0.507 295 G N 0.962 109.824 108.800 0.104 0.000 2.168 295 G HA2 -0.066 3.076 3.960 -1.363 0.000 0.263 295 G HA3 -0.066 3.076 3.960 -1.363 0.000 0.263 295 G C 1.060 176.011 174.900 0.085 0.000 0.977 295 G CA 1.136 46.296 45.100 0.100 0.000 0.659 295 G HN 2.062 nan 8.290 nan 0.000 0.533 296 A N -0.728 122.139 122.820 0.078 0.000 2.067 296 A HA 0.463 3.965 4.320 -1.363 0.000 0.217 296 A C 2.176 179.799 177.584 0.066 0.000 1.156 296 A CA 1.788 53.866 52.037 0.068 0.000 0.683 296 A CB -0.113 18.929 19.000 0.070 0.000 0.808 296 A HN 0.505 nan 8.150 nan 0.000 0.455 297 I N -1.545 119.067 120.570 0.069 0.000 3.443 297 I HA 0.155 3.507 4.170 -1.363 0.000 0.277 297 I C 0.288 176.440 176.117 0.058 0.000 1.169 297 I CA 0.757 62.089 61.300 0.054 0.000 1.419 297 I CB -0.590 37.434 38.000 0.040 0.000 1.331 297 I HN 0.216 nan 8.210 nan 0.000 0.458 298 E N 2.344 122.588 120.200 0.074 0.000 3.108 298 E HA 0.189 3.721 4.350 -1.363 0.000 0.228 298 E C -1.797 174.877 176.600 0.123 0.000 1.176 298 E CA -1.388 55.065 56.400 0.088 0.000 0.881 298 E CB 1.834 31.575 29.700 0.068 0.000 1.354 298 E HN 0.112 nan 8.360 nan 0.000 0.400 299 P HA -0.210 nan 4.420 nan 0.000 0.218 299 P C 1.250 178.706 177.300 0.261 0.000 1.149 299 P CA 0.951 64.185 63.100 0.224 0.000 0.817 299 P CB 0.248 32.102 31.700 0.258 0.000 0.785 300 Y N 2.102 122.377 120.300 -0.040 0.000 2.145 300 Y HA -0.150 3.582 4.550 -1.363 0.000 0.286 300 Y C 2.907 178.759 175.900 -0.080 0.000 1.145 300 Y CA 1.458 59.338 58.100 -0.367 0.000 1.148 300 Y CB -0.983 37.198 38.460 -0.465 0.000 0.981 300 Y HN -0.212 nan 8.280 nan 0.000 0.507 301 R N -0.230 120.250 120.500 -0.033 0.000 2.105 301 R HA -0.203 3.319 4.340 -1.363 0.000 0.239 301 R C 2.165 178.438 176.300 -0.046 0.000 1.135 301 R CA 1.759 57.804 56.100 -0.091 0.000 0.967 301 R CB -0.650 29.642 30.300 -0.013 0.000 0.861 301 R HN 0.436 nan 8.270 nan 0.000 0.442 302 L N 0.367 121.629 121.223 0.064 0.000 2.141 302 L HA -0.075 3.448 4.340 -1.363 0.000 0.209 302 L C 1.909 178.888 176.870 0.181 0.000 1.094 302 L CA 1.568 56.490 54.840 0.136 0.000 0.763 302 L CB -0.633 41.539 42.059 0.190 0.000 0.908 302 L HN 0.268 nan 8.230 nan 0.000 0.437 303 F N -0.602 119.353 119.950 0.008 0.000 2.206 303 F HA -0.124 3.586 4.527 -1.363 0.000 0.298 303 F C 1.910 177.657 175.800 -0.088 0.000 1.090 303 F CA 1.485 59.497 58.000 0.019 0.000 1.323 303 F CB -0.221 38.796 39.000 0.028 0.000 1.028 303 F HN 0.031 nan 8.300 nan 0.000 0.492 304 L N -0.547 120.471 121.223 -0.341 0.000 2.141 304 L HA -0.163 3.359 4.340 -1.363 0.000 0.209 304 L C 2.375 179.054 176.870 -0.319 0.000 1.094 304 L CA 0.683 55.256 54.840 -0.445 0.000 0.763 304 L CB -0.775 41.036 42.059 -0.412 0.000 0.908 304 L HN 0.059 nan 8.230 nan 0.000 0.437 305 V N -0.605 119.169 119.914 -0.234 0.000 2.307 305 V HA -0.271 3.031 4.120 -1.363 0.000 0.245 305 V C 2.215 178.123 176.094 -0.309 0.000 1.045 305 V CA 1.824 63.974 62.300 -0.249 0.000 1.024 305 V CB -0.511 31.137 31.823 -0.291 0.000 0.651 305 V HN 0.223 nan 8.190 nan 0.000 0.449 306 F N 0.922 120.706 119.950 -0.277 0.000 2.365 306 F HA -0.118 3.592 4.527 -1.362 0.000 0.300 306 F C 2.219 177.860 175.800 -0.265 0.000 1.090 306 F CA 1.633 59.488 58.000 -0.241 0.000 1.408 306 F CB -0.603 38.253 39.000 -0.240 0.000 1.060 306 F HN 0.261 nan 8.300 nan 0.000 0.534 307 N N 0.185 118.713 118.700 -0.286 0.000 2.244 307 N HA -0.168 3.754 4.740 -1.363 0.000 0.183 307 N C 1.688 177.108 175.510 -0.150 0.000 1.016 307 N CA 1.317 54.167 53.050 -0.332 0.000 0.866 307 N CB -0.064 38.117 38.487 -0.511 0.000 0.980 307 N HN 0.048 nan 8.380 nan 0.000 0.430 308 E N 0.137 120.262 120.200 -0.126 0.000 2.152 308 E HA -0.034 3.498 4.350 -1.363 0.000 0.192 308 E C 2.019 178.624 176.600 0.008 0.000 0.983 308 E CA 0.430 56.789 56.400 -0.068 0.000 0.818 308 E CB -0.150 29.513 29.700 -0.062 0.000 0.758 308 E HN 0.485 nan 8.360 nan 0.000 0.467 309 L N 0.120 121.395 121.223 0.087 0.000 2.044 309 L HA -0.108 3.415 4.340 -1.363 0.000 0.205 309 L C 2.458 179.508 176.870 0.299 0.000 1.075 309 L CA 0.694 55.710 54.840 0.293 0.000 0.747 309 L CB -0.501 41.750 42.059 0.319 0.000 0.903 309 L HN -0.043 nan 8.230 nan 0.000 0.435 310 V N 0.039 120.088 119.914 0.226 0.000 2.626 310 V HA -0.287 3.015 4.120 -1.363 0.000 0.252 310 V C 2.031 178.175 176.094 0.083 0.000 1.067 310 V CA 2.046 64.455 62.300 0.182 0.000 1.081 310 V CB -0.460 31.412 31.823 0.081 0.000 0.686 310 V HN 0.478 nan 8.190 nan 0.000 0.468 311 D N -0.072 120.339 120.400 0.020 0.000 2.183 311 D HA -0.053 3.769 4.640 -1.363 0.000 0.203 311 D C 2.126 178.390 176.300 -0.060 0.000 0.969 311 D CA 1.084 55.068 54.000 -0.026 0.000 0.842 311 D CB -0.025 40.743 40.800 -0.053 0.000 0.957 311 D HN 0.362 nan 8.370 nan 0.000 0.484 312 A N 0.755 123.510 122.820 -0.108 0.000 1.865 312 A HA -0.231 3.271 4.320 -1.363 0.000 0.217 312 A C 2.046 179.534 177.584 -0.159 0.000 1.191 312 A CA 1.776 53.634 52.037 -0.297 0.000 0.623 312 A CB -0.748 17.766 19.000 -0.810 0.000 0.826 312 A HN 0.352 nan 8.150 nan 0.000 0.444 313 E N -0.069 120.148 120.200 0.028 0.000 2.058 313 E HA -0.160 3.372 4.350 -1.363 0.000 0.194 313 E C 2.306 178.937 176.600 0.052 0.000 0.997 313 E CA 1.065 57.534 56.400 0.116 0.000 0.801 313 E CB -0.386 29.444 29.700 0.216 0.000 0.746 313 E HN 0.614 nan 8.360 nan 0.000 0.450 314 A N 1.797 124.637 122.820 0.033 0.000 1.902 314 A HA -0.170 3.333 4.320 -1.363 0.000 0.217 314 A C 2.032 179.611 177.584 -0.009 0.000 1.181 314 A CA 1.198 53.243 52.037 0.014 0.000 0.623 314 A CB -0.426 18.578 19.000 0.005 0.000 0.818 314 A HN 0.072 nan 8.150 nan 0.000 0.443 315 R N -0.736 119.743 120.500 -0.035 0.000 2.346 315 R HA 0.119 3.641 4.340 -1.363 0.000 0.199 315 R C 0.969 177.242 176.300 -0.044 0.000 1.015 315 R CA 0.426 56.497 56.100 -0.049 0.000 1.058 315 R CB -0.520 29.734 30.300 -0.078 0.000 0.921 315 R HN 0.686 nan 8.270 nan 0.000 0.475 316 G N 1.497 110.282 108.800 -0.025 0.000 2.350 316 G HA2 -0.246 2.896 3.960 -1.363 0.000 0.298 316 G HA3 -0.246 2.896 3.960 -1.363 0.000 0.298 316 G C 0.027 174.913 174.900 -0.025 0.000 1.037 316 G CA -0.010 45.084 45.100 -0.009 0.000 1.074 316 G HN 0.142 nan 8.290 nan 0.000 0.511 317 V N 0.560 120.440 119.914 -0.056 0.000 2.488 317 V HA 0.257 3.560 4.120 -1.363 0.000 0.277 317 V C 1.036 177.138 176.094 0.013 0.000 1.046 317 V CA -0.210 62.047 62.300 -0.071 0.000 0.986 317 V CB 1.230 32.920 31.823 -0.221 0.000 0.989 317 V HN 0.458 nan 8.190 nan 0.000 0.475 318 K N 3.117 123.534 120.400 0.028 0.000 2.270 318 K HA 0.464 3.966 4.320 -1.363 0.000 0.276 318 K C 1.299 177.955 176.600 0.093 0.000 1.023 318 K CA 0.491 56.814 56.287 0.060 0.000 0.955 318 K CB 0.822 33.353 32.500 0.053 0.000 0.975 318 K HN 1.021 nan 8.250 nan 0.000 0.471 319 G N 2.352 111.209 108.800 0.096 0.000 2.196 319 G HA2 -0.314 2.828 3.960 -1.363 0.000 0.268 319 G HA3 -0.314 2.828 3.960 -1.363 0.000 0.268 319 G C -0.020 174.927 174.900 0.080 0.000 0.975 319 G CA 0.116 45.300 45.100 0.141 0.000 0.648 319 G HN 0.610 nan 8.290 nan 0.000 0.538 320 F N 3.284 123.121 119.950 -0.188 0.000 2.506 320 F HA 0.411 4.120 4.527 -1.363 0.000 0.353 320 F C 0.525 176.071 175.800 -0.423 0.000 1.194 320 F CA -0.405 57.480 58.000 -0.192 0.000 1.048 320 F CB -0.089 38.839 39.000 -0.120 0.000 1.160 320 F HN 0.245 nan 8.300 nan 0.000 0.598 321 H N 6.499 125.395 119.070 -0.290 0.000 2.514 321 H HA 0.197 3.935 4.556 -1.363 0.000 0.226 321 H C -2.278 172.831 175.328 -0.365 0.000 1.421 321 H CA -1.322 54.533 56.048 -0.322 0.000 1.394 321 H CB 0.181 29.874 29.762 -0.116 0.000 1.701 321 H HN 0.447 nan 8.280 nan 0.000 0.515 322 P HA 0.137 nan 4.420 nan 0.000 0.265 322 P C -0.005 176.984 177.300 -0.517 0.000 1.193 322 P CA -0.219 62.617 63.100 -0.441 0.000 0.765 322 P CB 1.191 32.639 31.700 -0.420 0.000 0.823 323 A N 3.694 126.306 122.820 -0.346 0.000 2.302 323 A HA 0.245 3.748 4.320 -1.363 0.000 0.295 323 A C -0.218 177.250 177.584 -0.192 0.000 1.235 323 A CA -0.433 51.461 52.037 -0.238 0.000 0.876 323 A CB -0.561 18.415 19.000 -0.041 0.000 1.133 323 A HN 0.654 nan 8.150 nan 0.000 0.533 324 H N 1.893 121.018 119.070 0.093 0.000 2.552 324 H HA 0.517 4.255 4.556 -1.363 0.000 0.311 324 H C -0.132 175.335 175.328 0.231 0.000 1.071 324 H CA -0.095 56.110 56.048 0.262 0.000 1.307 324 H CB 1.218 31.210 29.762 0.383 0.000 1.416 324 H HN 0.744 nan 8.280 nan 0.000 0.464 325 M N 3.799 123.626 119.600 0.379 0.000 2.518 325 M HA 0.376 4.038 4.480 -1.363 0.000 0.300 325 M C -1.606 174.799 176.300 0.175 0.000 1.175 325 M CA -1.063 54.351 55.300 0.191 0.000 0.890 325 M CB 1.738 34.358 32.600 0.034 0.000 1.710 325 M HN 0.462 nan 8.290 nan 0.000 0.453 326 I N 3.044 123.665 120.570 0.084 0.000 2.342 326 I HA 0.261 3.613 4.170 -1.363 0.000 0.291 326 I C -0.560 175.497 176.117 -0.100 0.000 1.010 326 I CA 0.121 61.467 61.300 0.077 0.000 1.308 326 I CB 0.972 39.007 38.000 0.059 0.000 1.400 326 I HN 0.598 nan 8.210 nan 0.000 0.488 327 D N 6.817 127.170 120.400 -0.077 0.000 2.404 327 D HA 0.388 4.210 4.640 -1.363 0.000 0.267 327 D C -0.577 175.711 176.300 -0.020 0.000 1.194 327 D CA -0.204 53.748 54.000 -0.080 0.000 0.910 327 D CB 0.713 41.441 40.800 -0.120 0.000 1.090 327 D HN 0.498 nan 8.370 nan 0.000 0.511 328 Q N 0.344 120.107 119.800 -0.062 0.000 2.484 328 Q HA 0.584 4.106 4.340 -1.363 0.000 0.285 328 Q C -1.062 174.728 176.000 -0.350 0.000 1.097 328 Q CA -1.095 54.614 55.803 -0.156 0.000 0.802 328 Q CB 2.415 31.085 28.738 -0.115 0.000 1.444 328 Q HN 0.202 nan 8.270 nan 0.000 0.429 329 S N -0.039 115.413 115.700 -0.414 0.000 2.502 329 S HA 0.461 4.113 4.470 -1.363 0.000 0.304 329 S C -1.689 172.594 174.600 -0.529 0.000 1.097 329 S CA -0.558 57.423 58.200 -0.365 0.000 1.045 329 S CB 0.371 63.513 63.200 -0.097 0.000 1.019 329 S HN 0.593 nan 8.310 nan 0.000 0.481 330 H N 3.976 123.078 119.070 0.053 0.000 2.691 330 H HA 0.417 4.156 4.556 -1.362 0.000 0.281 330 H C 0.427 175.797 175.328 0.070 0.000 1.121 330 H CA -0.825 55.253 56.048 0.050 0.000 1.254 330 H CB 0.640 30.418 29.762 0.026 0.000 1.390 330 H HN 0.502 nan 8.280 nan 0.000 0.491 331 N N 1.753 120.533 118.700 0.134 0.000 2.415 331 N HA -0.050 3.872 4.740 -1.363 0.000 0.176 331 N C 0.944 176.558 175.510 0.172 0.000 1.042 331 N CA 0.679 53.819 53.050 0.151 0.000 0.902 331 N CB 0.894 39.469 38.487 0.146 0.000 0.986 331 N HN 0.483 nan 8.380 nan 0.000 0.447 332 V N -2.314 117.686 119.914 0.143 0.000 3.017 332 V HA 0.456 3.758 4.120 -1.363 0.000 0.354 332 V C -0.062 176.087 176.094 0.092 0.000 1.389 332 V CA -0.304 62.062 62.300 0.111 0.000 1.163 332 V CB -0.168 31.704 31.823 0.082 0.000 1.178 332 V HN 0.163 nan 8.190 nan 0.000 0.547 333 T N -3.863 110.755 114.554 0.106 0.000 2.787 333 T HA 0.446 3.978 4.350 -1.363 0.000 0.297 333 T C -1.253 173.487 174.700 0.066 0.000 1.221 333 T CA -0.306 61.839 62.100 0.075 0.000 1.006 333 T CB 2.041 70.944 68.868 0.060 0.000 1.328 333 T HN 0.175 nan 8.240 nan 0.000 0.509 334 D N 1.419 121.841 120.400 0.037 0.000 2.346 334 D HA 0.224 4.047 4.640 -1.363 0.000 0.260 334 D C -1.489 174.767 176.300 -0.074 0.000 1.252 334 D CA -1.820 52.197 54.000 0.029 0.000 0.895 334 D CB 1.346 42.186 40.800 0.066 0.000 1.097 334 D HN 0.141 nan 8.370 nan 0.000 0.489 335 P HA -0.169 nan 4.420 nan 0.000 0.217 335 P C 1.324 178.397 177.300 -0.378 0.000 1.148 335 P CA 0.797 63.755 63.100 -0.237 0.000 0.834 335 P CB 0.280 31.962 31.700 -0.029 0.000 0.783 336 I N -0.370 120.034 120.570 -0.277 0.000 2.202 336 I HA -0.193 3.159 4.170 -1.363 0.000 0.242 336 I C 2.245 178.069 176.117 -0.488 0.000 1.091 336 I CA 1.524 62.589 61.300 -0.391 0.000 1.368 336 I CB -1.269 36.441 38.000 -0.483 0.000 1.058 336 I HN -0.006 nan 8.210 nan 0.000 0.410 337 E N 0.131 120.030 120.200 -0.501 0.000 2.058 337 E HA -0.198 3.334 4.350 -1.363 0.000 0.194 337 E C 2.332 178.779 176.600 -0.255 0.000 0.997 337 E CA 1.705 57.879 56.400 -0.376 0.000 0.801 337 E CB -0.325 29.241 29.700 -0.224 0.000 0.746 337 E HN 0.354 nan 8.360 nan 0.000 0.450 338 S N 1.174 116.717 115.700 -0.262 0.000 2.353 338 S HA -0.155 3.498 4.470 -1.363 0.000 0.222 338 S C 2.080 176.541 174.600 -0.232 0.000 1.035 338 S CA 0.970 59.036 58.200 -0.223 0.000 1.025 338 S CB -0.306 62.719 63.200 -0.291 0.000 0.902 338 S HN 0.177 nan 8.310 nan 0.000 0.440 339 L N 0.803 121.806 121.223 -0.367 0.000 2.042 339 L HA -0.157 3.365 4.340 -1.363 0.000 0.210 339 L C 2.225 179.005 176.870 -0.150 0.000 1.076 339 L CA 1.168 55.872 54.840 -0.226 0.000 0.749 339 L CB -0.569 41.340 42.059 -0.250 0.000 0.893 339 L HN 0.323 nan 8.230 nan 0.000 0.432 340 I N -0.128 120.330 120.570 -0.186 0.000 2.142 340 I HA -0.315 3.038 4.170 -1.363 0.000 0.240 340 I C 2.154 178.215 176.117 -0.093 0.000 1.078 340 I CA 1.324 62.539 61.300 -0.142 0.000 1.343 340 I CB -0.344 37.547 38.000 -0.181 0.000 1.046 340 I HN 0.337 nan 8.210 nan 0.000 0.405 341 N N 0.227 118.872 118.700 -0.092 0.000 2.331 341 N HA -0.095 3.827 4.740 -1.363 0.000 0.180 341 N C 1.973 177.461 175.510 -0.038 0.000 1.019 341 N CA 1.016 54.032 53.050 -0.056 0.000 0.881 341 N CB -0.171 38.289 38.487 -0.045 0.000 0.972 341 N HN 0.194 nan 8.380 nan 0.000 0.435 342 S N 0.613 116.294 115.700 -0.032 0.000 2.355 342 S HA -0.016 3.636 4.470 -1.363 0.000 0.222 342 S C 2.068 176.654 174.600 -0.025 0.000 1.031 342 S CA 1.029 59.228 58.200 -0.002 0.000 0.993 342 S CB -0.255 62.968 63.200 0.039 0.000 0.859 342 S HN 0.482 nan 8.310 nan 0.000 0.453 343 A N 2.143 124.945 122.820 -0.030 0.000 1.933 343 A HA -0.161 3.342 4.320 -1.363 0.000 0.218 343 A C 1.856 179.414 177.584 -0.044 0.000 1.175 343 A CA 1.641 53.663 52.037 -0.024 0.000 0.628 343 A CB -0.857 18.138 19.000 -0.009 0.000 0.814 343 A HN 0.619 nan 8.150 nan 0.000 0.444 344 N N -0.903 117.770 118.700 -0.046 0.000 2.084 344 N HA -0.196 3.726 4.740 -1.363 0.000 0.190 344 N C 1.866 177.326 175.510 -0.083 0.000 1.030 344 N CA 1.306 54.324 53.050 -0.054 0.000 0.849 344 N CB -0.145 38.316 38.487 -0.044 0.000 1.012 344 N HN 0.501 nan 8.380 nan 0.000 0.423 345 E N 1.251 121.408 120.200 -0.072 0.000 2.077 345 E HA -0.117 3.416 4.350 -1.363 0.000 0.193 345 E C 1.800 178.312 176.600 -0.146 0.000 0.989 345 E CA 0.887 57.242 56.400 -0.074 0.000 0.800 345 E CB -0.103 29.582 29.700 -0.026 0.000 0.746 345 E HN 0.232 nan 8.360 nan 0.000 0.452 346 I N 0.493 120.945 120.570 -0.198 0.000 2.179 346 I HA -0.236 3.116 4.170 -1.363 0.000 0.242 346 I C 2.355 178.118 176.117 -0.589 0.000 1.088 346 I CA 1.404 62.478 61.300 -0.376 0.000 1.357 346 I CB -0.951 36.816 38.000 -0.388 0.000 1.051 346 I HN 0.178 nan 8.210 nan 0.000 0.409 347 R N -0.031 120.242 120.500 -0.378 0.000 2.115 347 R HA -0.124 3.399 4.340 -1.363 0.000 0.230 347 R C 2.403 178.502 176.300 -0.336 0.000 1.111 347 R CA 0.791 56.664 56.100 -0.379 0.000 0.976 347 R CB -0.198 30.023 30.300 -0.131 0.000 0.870 347 R HN 0.312 nan 8.270 nan 0.000 0.445 348 R N 0.537 120.888 120.500 -0.249 0.000 2.070 348 R HA -0.126 3.396 4.340 -1.363 0.000 0.233 348 R C 2.122 178.299 176.300 -0.204 0.000 1.137 348 R CA 1.635 57.626 56.100 -0.181 0.000 0.945 348 R CB -0.249 29.982 30.300 -0.115 0.000 0.845 348 R HN 0.187 nan 8.270 nan 0.000 0.430 349 A N 0.154 122.823 122.820 -0.252 0.000 1.908 349 A HA -0.239 3.263 4.320 -1.363 0.000 0.218 349 A C 2.043 179.364 177.584 -0.438 0.000 1.181 349 A CA 1.498 53.434 52.037 -0.168 0.000 0.627 349 A CB -0.955 17.994 19.000 -0.085 0.000 0.818 349 A HN 0.640 nan 8.150 nan 0.000 0.445 350 Y N 0.712 120.274 120.300 -1.231 0.000 2.145 350 Y HA -0.097 3.636 4.550 -1.363 0.000 0.286 350 Y C 2.631 178.218 175.900 -0.521 0.000 1.145 350 Y CA 1.236 58.594 58.100 -1.236 0.000 1.148 350 Y CB -0.725 36.695 38.460 -1.733 0.000 0.981 350 Y HN 0.298 nan 8.280 nan 0.000 0.507 351 A N 0.247 122.756 122.820 -0.518 0.000 1.902 351 A HA -0.242 3.260 4.320 -1.363 0.000 0.217 351 A C 2.119 179.552 177.584 -0.251 0.000 1.181 351 A CA 1.915 53.705 52.037 -0.412 0.000 0.623 351 A CB -0.761 18.101 19.000 -0.231 0.000 0.818 351 A HN 0.684 nan 8.150 nan 0.000 0.443 352 Q N -0.597 119.139 119.800 -0.108 0.000 2.084 352 Q HA -0.099 3.424 4.340 -1.363 0.000 0.202 352 Q C 2.410 178.544 176.000 0.224 0.000 0.978 352 Q CA 1.348 57.200 55.803 0.081 0.000 0.844 352 Q CB -0.428 28.424 28.738 0.190 0.000 0.898 352 Q HN 0.681 nan 8.270 nan 0.000 0.426 353 A N 1.048 123.939 122.820 0.117 0.000 1.940 353 A HA -0.169 3.333 4.320 -1.363 0.000 0.219 353 A C 2.041 179.570 177.584 -0.091 0.000 1.176 353 A CA 1.174 53.182 52.037 -0.049 0.000 0.631 353 A CB -0.680 18.206 19.000 -0.190 0.000 0.814 353 A HN 0.309 nan 8.150 nan 0.000 0.446 354 L N -0.693 120.395 121.223 -0.225 0.000 2.275 354 L HA -0.091 3.431 4.340 -1.363 0.000 0.215 354 L C 2.065 178.875 176.870 -0.101 0.000 1.119 354 L CA 0.529 55.239 54.840 -0.216 0.000 0.790 354 L CB -0.388 41.451 42.059 -0.367 0.000 0.919 354 L HN 0.372 nan 8.230 nan 0.000 0.443 355 L N -0.753 120.438 121.223 -0.054 0.000 2.478 355 L HA 0.014 3.537 4.340 -1.363 0.000 0.223 355 L C 0.778 177.664 176.870 0.027 0.000 1.140 355 L CA -0.253 54.575 54.840 -0.019 0.000 0.842 355 L CB -0.173 41.875 42.059 -0.018 0.000 0.953 355 L HN -0.033 nan 8.230 nan 0.000 0.452 356 V N 1.350 121.301 119.914 0.063 0.000 2.557 356 V HA -0.130 3.172 4.120 -1.363 0.000 0.301 356 V C 0.533 176.654 176.094 0.045 0.000 1.026 356 V CA 0.159 62.512 62.300 0.088 0.000 1.137 356 V CB 0.432 32.312 31.823 0.095 0.000 0.917 356 V HN 0.158 nan 8.190 nan 0.000 0.484 357 D N 5.685 126.117 120.400 0.053 0.000 2.416 357 D HA 0.063 3.886 4.640 -1.363 0.000 0.240 357 D C 1.407 177.724 176.300 0.027 0.000 1.250 357 D CA -0.280 53.739 54.000 0.031 0.000 0.967 357 D CB 0.449 41.273 40.800 0.039 0.000 1.059 357 D HN 0.340 nan 8.370 nan 0.000 0.512 358 R N 2.752 123.259 120.500 0.011 0.000 2.105 358 R HA -0.150 3.372 4.340 -1.363 0.000 0.239 358 R C 1.769 178.060 176.300 -0.014 0.000 1.135 358 R CA 1.267 57.368 56.100 0.002 0.000 0.967 358 R CB -0.841 29.456 30.300 -0.005 0.000 0.861 358 R HN 0.493 nan 8.270 nan 0.000 0.442 359 A N 1.100 123.903 122.820 -0.028 0.000 1.873 359 A HA -0.039 3.464 4.320 -1.363 0.000 0.215 359 A C 2.419 179.943 177.584 -0.099 0.000 1.186 359 A CA 1.818 53.823 52.037 -0.054 0.000 0.616 359 A CB -0.657 18.312 19.000 -0.052 0.000 0.823 359 A HN 0.337 nan 8.150 nan 0.000 0.442 360 A N -0.572 122.187 122.820 -0.102 0.000 1.902 360 A HA -0.035 3.467 4.320 -1.363 0.000 0.217 360 A C 2.150 179.614 177.584 -0.200 0.000 1.181 360 A CA 1.767 53.673 52.037 -0.219 0.000 0.623 360 A CB -0.630 18.327 19.000 -0.072 0.000 0.818 360 A HN 0.709 nan 8.150 nan 0.000 0.443 361 L N -0.196 121.036 121.223 0.015 0.000 2.017 361 L HA -0.100 3.422 4.340 -1.363 0.000 0.208 361 L C 2.581 179.478 176.870 0.045 0.000 1.073 361 L CA 2.638 57.547 54.840 0.114 0.000 0.745 361 L CB -0.832 41.283 42.059 0.094 0.000 0.894 361 L HN 0.337 nan 8.230 nan 0.000 0.432 362 S N -0.614 115.077 115.700 -0.016 0.000 2.383 362 S HA -0.139 3.513 4.470 -1.363 0.000 0.229 362 S C 2.035 176.604 174.600 -0.052 0.000 1.030 362 S CA 1.303 59.487 58.200 -0.026 0.000 1.002 362 S CB -0.880 62.297 63.200 -0.038 0.000 0.829 362 S HN 0.680 nan 8.310 nan 0.000 0.467 363 G N -0.575 108.142 108.800 -0.139 0.000 2.402 363 G HA2 -0.139 3.003 3.960 -1.363 0.000 0.216 363 G HA3 -0.139 3.003 3.960 -1.363 0.000 0.216 363 G C 1.118 175.941 174.900 -0.129 0.000 1.162 363 G CA 0.840 45.823 45.100 -0.194 0.000 0.777 363 G HN 0.591 nan 8.290 nan 0.000 0.539 364 Y N 0.940 121.242 120.300 0.003 0.000 2.352 364 Y HA -0.001 3.731 4.550 -1.363 0.000 0.292 364 Y C 3.054 178.956 175.900 0.003 0.000 1.136 364 Y CA 0.934 59.037 58.100 0.004 0.000 1.227 364 Y CB -0.369 38.096 38.460 0.009 0.000 0.991 364 Y HN 0.294 nan 8.280 nan 0.000 0.545 365 Q N -0.282 119.600 119.800 0.137 0.000 2.083 365 Q HA -0.141 3.381 4.340 -1.363 0.000 0.198 365 Q C 1.972 178.001 176.000 0.048 0.000 0.969 365 Q CA 1.132 56.981 55.803 0.078 0.000 0.838 365 Q CB -0.033 28.734 28.738 0.048 0.000 0.900 365 Q HN 0.374 nan 8.270 nan 0.000 0.436 366 E N 0.990 121.208 120.200 0.030 0.000 2.106 366 E HA -0.141 3.392 4.350 -1.363 0.000 0.192 366 E C 1.010 177.625 176.600 0.025 0.000 0.984 366 E CA 0.954 57.363 56.400 0.015 0.000 0.806 366 E CB -0.035 29.663 29.700 -0.004 0.000 0.750 366 E HN 0.369 nan 8.360 nan 0.000 0.458 367 D N 0.267 120.694 120.400 0.044 0.000 2.328 367 D HA 0.006 3.828 4.640 -1.363 0.000 0.226 367 D C -0.342 175.993 176.300 0.059 0.000 1.066 367 D CA -0.025 54.006 54.000 0.052 0.000 0.861 367 D CB -0.247 40.594 40.800 0.069 0.000 0.912 367 D HN 0.144 nan 8.370 nan 0.000 0.521 368 N N 1.537 120.272 118.700 0.058 0.000 2.727 368 N HA -0.183 3.739 4.740 -1.363 0.000 0.249 368 N C -0.672 174.867 175.510 0.047 0.000 1.048 368 N CA 0.409 53.487 53.050 0.046 0.000 0.714 368 N CB -0.697 37.807 38.487 0.029 0.000 0.959 368 N HN 0.100 nan 8.380 nan 0.000 0.544 369 D N -0.065 120.380 120.400 0.076 0.000 2.564 369 D HA 0.472 4.294 4.640 -1.363 0.000 0.226 369 D C 1.118 177.414 176.300 -0.007 0.000 1.149 369 D CA 0.241 54.264 54.000 0.040 0.000 0.994 369 D CB 0.115 40.970 40.800 0.092 0.000 1.029 369 D HN 0.370 nan 8.370 nan 0.000 0.517 370 A N 3.211 126.027 122.820 -0.006 0.000 1.917 370 A HA -0.211 3.291 4.320 -1.363 0.000 0.219 370 A C 2.057 179.614 177.584 -0.045 0.000 1.182 370 A CA 1.153 53.183 52.037 -0.011 0.000 0.633 370 A CB -0.538 18.459 19.000 -0.004 0.000 0.819 370 A HN 0.579 nan 8.150 nan 0.000 0.448 371 L N -1.296 119.885 121.223 -0.070 0.000 1.994 371 L HA -0.184 3.338 4.340 -1.363 0.000 0.208 371 L C 2.497 179.270 176.870 -0.161 0.000 1.071 371 L CA 1.963 56.748 54.840 -0.093 0.000 0.745 371 L CB -0.244 41.762 42.059 -0.088 0.000 0.892 371 L HN 0.301 nan 8.230 nan 0.000 0.431 372 M N -0.889 118.531 119.600 -0.299 0.000 2.296 372 M HA -0.061 3.601 4.480 -1.363 0.000 0.265 372 M C 2.357 178.381 176.300 -0.459 0.000 1.064 372 M CA 1.467 56.421 55.300 -0.578 0.000 1.109 372 M CB -1.489 30.355 32.600 -1.259 0.000 1.396 372 M HN 0.458 nan 8.290 nan 0.000 0.430 373 A N -0.847 121.849 122.820 -0.206 0.000 1.898 373 A HA -0.123 3.380 4.320 -1.363 0.000 0.216 373 A C 2.392 180.001 177.584 0.042 0.000 1.181 373 A CA 2.168 54.225 52.037 0.033 0.000 0.620 373 A CB -0.975 18.076 19.000 0.084 0.000 0.819 373 A HN 0.421 nan 8.150 nan 0.000 0.442 374 T N -0.961 113.598 114.554 0.009 0.000 2.857 374 T HA -0.095 3.437 4.350 -1.363 0.000 0.266 374 T C 1.888 176.617 174.700 0.048 0.000 1.048 374 T CA 1.711 63.842 62.100 0.052 0.000 1.139 374 T CB -0.177 68.714 68.868 0.038 0.000 0.874 374 T HN 0.604 nan 8.240 nan 0.000 0.455 375 E N 0.325 120.514 120.200 -0.017 0.000 2.268 375 E HA -0.053 3.479 4.350 -1.363 0.000 0.195 375 E C 2.027 178.637 176.600 0.017 0.000 0.995 375 E CA 1.329 57.715 56.400 -0.024 0.000 0.836 375 E CB -0.471 29.182 29.700 -0.079 0.000 0.763 375 E HN 0.377 nan 8.360 nan 0.000 0.491 376 T N 0.526 115.107 114.554 0.046 0.000 2.857 376 T HA -0.014 3.519 4.350 -1.363 0.000 0.266 376 T C 1.645 176.433 174.700 0.147 0.000 1.048 376 T CA 1.023 63.194 62.100 0.118 0.000 1.139 376 T CB -0.086 68.906 68.868 0.207 0.000 0.874 376 T HN 0.147 nan 8.240 nan 0.000 0.455 377 L N 0.307 121.640 121.223 0.183 0.000 2.072 377 L HA 0.003 3.525 4.340 -1.363 0.000 0.205 377 L C 2.728 179.744 176.870 0.243 0.000 1.079 377 L CA 0.872 55.898 54.840 0.309 0.000 0.752 377 L CB -0.377 41.913 42.059 0.386 0.000 0.906 377 L HN 0.037 nan 8.230 nan 0.000 0.436 378 K N 0.580 121.067 120.400 0.145 0.000 2.103 378 K HA -0.156 3.346 4.320 -1.363 0.000 0.207 378 K C 2.132 178.733 176.600 0.002 0.000 1.048 378 K CA 1.279 57.593 56.287 0.046 0.000 0.930 378 K CB -0.307 32.185 32.500 -0.014 0.000 0.716 378 K HN 0.290 nan 8.250 nan 0.000 0.444 379 R N 0.087 120.599 120.500 0.019 0.000 2.120 379 R HA -0.084 3.438 4.340 -1.363 0.000 0.234 379 R C 2.262 178.551 176.300 -0.019 0.000 1.123 379 R CA 1.300 57.396 56.100 -0.007 0.000 0.975 379 R CB -0.220 30.089 30.300 0.015 0.000 0.866 379 R HN 0.181 nan 8.270 nan 0.000 0.446 380 A N -0.027 122.810 122.820 0.030 0.000 1.874 380 A HA -0.163 3.339 4.320 -1.363 0.000 0.214 380 A C 1.914 179.444 177.584 -0.091 0.000 1.189 380 A CA 0.805 52.863 52.037 0.035 0.000 0.615 380 A CB -0.681 18.440 19.000 0.202 0.000 0.830 380 A HN 0.402 nan 8.150 nan 0.000 0.443 381 Y N 0.959 121.004 120.300 -0.424 0.000 2.224 381 Y HA -0.168 3.564 4.550 -1.363 0.000 0.289 381 Y C 2.328 178.012 175.900 -0.361 0.000 1.146 381 Y CA 1.903 59.578 58.100 -0.709 0.000 1.182 381 Y CB -0.224 37.598 38.460 -1.064 0.000 0.983 381 Y HN 0.233 nan 8.280 nan 0.000 0.524 382 R N -0.364 119.908 120.500 -0.381 0.000 2.235 382 R HA -0.014 3.508 4.340 -1.363 0.000 0.213 382 R C 0.376 176.492 176.300 -0.307 0.000 1.059 382 R CA 0.898 56.773 56.100 -0.374 0.000 0.997 382 R CB -0.544 29.636 30.300 -0.200 0.000 0.884 382 R HN 0.158 nan 8.270 nan 0.000 0.462 383 T N 1.741 116.142 114.554 -0.255 0.000 2.799 383 T HA -0.030 3.503 4.350 -1.363 0.000 0.296 383 T C -0.209 174.365 174.700 -0.212 0.000 0.947 383 T CA -0.076 61.908 62.100 -0.192 0.000 1.141 383 T CB 0.854 69.637 68.868 -0.142 0.000 0.891 383 T HN 0.017 nan 8.240 nan 0.000 0.533 384 D N 3.423 123.717 120.400 -0.177 0.000 2.359 384 D HA 0.085 3.908 4.640 -1.363 0.000 0.250 384 D C 1.130 177.352 176.300 -0.130 0.000 1.264 384 D CA -0.617 53.288 54.000 -0.158 0.000 0.911 384 D CB 0.311 41.035 40.800 -0.128 0.000 1.056 384 D HN 0.336 nan 8.370 nan 0.000 0.499 385 V N 1.563 121.399 119.914 -0.131 0.000 3.577 385 V HA 0.136 3.438 4.120 -1.363 0.000 0.294 385 V C 1.670 177.721 176.094 -0.072 0.000 1.317 385 V CA 0.065 62.301 62.300 -0.107 0.000 1.169 385 V CB -0.050 31.703 31.823 -0.116 0.000 1.011 385 V HN 0.295 nan 8.190 nan 0.000 0.426 386 E N 2.505 122.666 120.200 -0.065 0.000 2.097 386 E HA -0.108 3.424 4.350 -1.363 0.000 0.196 386 E C -0.131 176.471 176.600 0.004 0.000 1.000 386 E CA 2.251 58.630 56.400 -0.035 0.000 0.804 386 E CB -1.475 28.203 29.700 -0.037 0.000 0.740 386 E HN 0.500 nan 8.360 nan 0.000 0.454 387 P HA -0.142 nan 4.420 nan 0.000 0.216 387 P C 1.230 178.655 177.300 0.210 0.000 1.153 387 P CA 1.461 64.624 63.100 0.104 0.000 0.858 387 P CB -0.051 31.685 31.700 0.059 0.000 0.789 388 I N -2.089 118.552 120.570 0.117 0.000 2.252 388 I HA -0.199 3.153 4.170 -1.363 0.000 0.245 388 I C 1.948 178.127 176.117 0.104 0.000 1.102 388 I CA 1.016 62.414 61.300 0.163 0.000 1.385 388 I CB -0.603 37.414 38.000 0.029 0.000 1.064 388 I HN -0.107 nan 8.210 nan 0.000 0.414 389 L N 0.797 122.044 121.223 0.040 0.000 2.046 389 L HA -0.150 3.372 4.340 -1.363 0.000 0.208 389 L C 2.667 179.554 176.870 0.027 0.000 1.077 389 L CA 2.101 56.952 54.840 0.018 0.000 0.747 389 L CB -1.187 40.864 42.059 -0.014 0.000 0.896 389 L HN 0.200 nan 8.230 nan 0.000 0.432 390 A N -1.064 121.777 122.820 0.034 0.000 1.898 390 A HA -0.200 3.302 4.320 -1.363 0.000 0.216 390 A C 2.304 179.893 177.584 0.007 0.000 1.181 390 A CA 1.566 53.616 52.037 0.021 0.000 0.620 390 A CB -0.441 18.573 19.000 0.024 0.000 0.819 390 A HN 0.381 nan 8.150 nan 0.000 0.442 391 E N 0.424 120.631 120.200 0.013 0.000 2.047 391 E HA -0.035 3.497 4.350 -1.363 0.000 0.191 391 E C 2.036 178.610 176.600 -0.044 0.000 0.987 391 E CA 1.583 57.933 56.400 -0.083 0.000 0.799 391 E CB -0.533 29.030 29.700 -0.230 0.000 0.752 391 E HN 0.429 nan 8.360 nan 0.000 0.449 392 A N 0.954 123.783 122.820 0.015 0.000 1.908 392 A HA -0.231 3.271 4.320 -1.363 0.000 0.218 392 A C 2.257 179.856 177.584 0.026 0.000 1.181 392 A CA 1.867 53.921 52.037 0.028 0.000 0.627 392 A CB -0.548 18.482 19.000 0.049 0.000 0.818 392 A HN 0.225 nan 8.150 nan 0.000 0.445 393 R N -1.236 119.278 120.500 0.023 0.000 2.081 393 R HA -0.099 3.423 4.340 -1.363 0.000 0.235 393 R C 2.558 178.868 176.300 0.015 0.000 1.131 393 R CA 1.440 57.555 56.100 0.026 0.000 0.960 393 R CB -0.319 29.993 30.300 0.020 0.000 0.856 393 R HN 0.569 nan 8.270 nan 0.000 0.436 394 R N 1.132 121.629 120.500 -0.005 0.000 2.073 394 R HA -0.103 3.419 4.340 -1.363 0.000 0.234 394 R C 2.028 178.320 176.300 -0.014 0.000 1.134 394 R CA 1.490 57.580 56.100 -0.016 0.000 0.952 394 R CB 0.003 30.278 30.300 -0.042 0.000 0.850 394 R HN 0.132 nan 8.270 nan 0.000 0.433 395 R N -0.556 119.931 120.500 -0.022 0.000 2.280 395 R HA -0.035 3.487 4.340 -1.363 0.000 0.207 395 R C 1.281 177.589 176.300 0.013 0.000 1.043 395 R CA 1.474 57.566 56.100 -0.014 0.000 1.006 395 R CB 0.139 30.424 30.300 -0.024 0.000 0.885 395 R HN 0.350 nan 8.270 nan 0.000 0.467 396 T N -4.189 110.381 114.554 0.027 0.000 3.182 396 T HA 0.309 3.842 4.350 -1.363 0.000 0.277 396 T C 1.069 175.799 174.700 0.049 0.000 1.013 396 T CA 0.201 62.329 62.100 0.046 0.000 0.900 396 T CB 1.200 70.108 68.868 0.068 0.000 1.098 396 T HN 0.279 nan 8.240 nan 0.000 0.543 397 G N 0.054 108.880 108.800 0.043 0.000 2.157 397 G HA2 -0.035 3.108 3.960 -1.363 0.000 0.239 397 G HA3 -0.035 3.108 3.960 -1.363 0.000 0.239 397 G C 0.475 175.409 174.900 0.057 0.000 0.982 397 G CA -0.236 44.899 45.100 0.059 0.000 0.650 397 G HN 1.025 nan 8.290 nan 0.000 0.527 398 G N -0.438 108.387 108.800 0.041 0.000 2.532 398 G HA2 0.818 3.961 3.960 -1.363 0.000 0.291 398 G HA3 0.818 3.961 3.960 -1.363 0.000 0.291 398 G C 0.205 175.121 174.900 0.027 0.000 1.349 398 G CA 0.224 45.345 45.100 0.035 0.000 1.038 398 G HN 1.503 nan 8.290 nan 0.000 0.518 399 A N -1.172 121.662 122.820 0.023 0.000 2.305 399 A HA 0.550 4.052 4.320 -1.363 0.000 0.322 399 A C 1.186 178.777 177.584 0.012 0.000 1.187 399 A CA -0.503 51.545 52.037 0.019 0.000 0.825 399 A CB 1.519 20.535 19.000 0.027 0.000 1.164 399 A HN 0.666 nan 8.150 nan 0.000 0.498 400 V N 1.366 121.284 119.914 0.008 0.000 2.332 400 V HA -0.112 3.190 4.120 -1.363 0.000 0.248 400 V C 0.876 176.973 176.094 0.006 0.000 1.055 400 V CA 2.391 64.693 62.300 0.004 0.000 1.038 400 V CB -0.310 31.513 31.823 -0.000 0.000 0.651 400 V HN 0.888 nan 8.190 nan 0.000 0.450 401 D N -1.372 119.034 120.400 0.010 0.000 2.412 401 D HA 0.237 4.059 4.640 -1.363 0.000 0.276 401 D C -1.944 174.369 176.300 0.021 0.000 1.196 401 D CA -2.011 51.996 54.000 0.012 0.000 0.905 401 D CB 1.816 42.623 40.800 0.013 0.000 1.081 401 D HN 0.066 nan 8.370 nan 0.000 0.502 402 P HA -0.205 nan 4.420 nan 0.000 0.216 402 P C 1.698 179.027 177.300 0.048 0.000 1.167 402 P CA 0.805 63.916 63.100 0.019 0.000 0.914 402 P CB 0.464 32.157 31.700 -0.012 0.000 0.793 403 V N -0.335 119.596 119.914 0.028 0.000 2.407 403 V HA -0.273 3.030 4.120 -1.363 0.000 0.248 403 V C 2.442 178.608 176.094 0.120 0.000 1.055 403 V CA 2.242 64.580 62.300 0.063 0.000 1.049 403 V CB -1.732 30.101 31.823 0.017 0.000 0.662 403 V HN 0.119 nan 8.190 nan 0.000 0.455 404 A N -0.355 122.508 122.820 0.072 0.000 1.902 404 A HA -0.223 3.279 4.320 -1.363 0.000 0.217 404 A C 2.401 180.026 177.584 0.068 0.000 1.181 404 A CA 2.512 54.586 52.037 0.061 0.000 0.623 404 A CB -0.935 18.086 19.000 0.035 0.000 0.818 404 A HN 0.507 nan 8.150 nan 0.000 0.443 405 T N -1.591 113.006 114.554 0.072 0.000 2.777 405 T HA -0.151 3.381 4.350 -1.363 0.000 0.266 405 T C 1.788 176.540 174.700 0.086 0.000 1.040 405 T CA 1.551 63.689 62.100 0.064 0.000 1.141 405 T CB -0.446 68.456 68.868 0.057 0.000 0.868 405 T HN 0.573 nan 8.240 nan 0.000 0.444 406 Y N 2.300 122.597 120.300 -0.004 0.000 2.165 406 Y HA -0.168 3.564 4.550 -1.363 0.000 0.286 406 Y C 2.419 178.339 175.900 0.033 0.000 1.155 406 Y CA 1.352 59.450 58.100 -0.002 0.000 1.164 406 Y CB -0.153 38.291 38.460 -0.027 0.000 0.978 406 Y HN 0.017 nan 8.280 nan 0.000 0.513 407 R N -0.303 120.227 120.500 0.050 0.000 2.115 407 R HA -0.009 3.513 4.340 -1.363 0.000 0.226 407 R C 2.383 178.651 176.300 -0.052 0.000 1.100 407 R CA 0.861 56.943 56.100 -0.030 0.000 0.980 407 R CB -0.462 29.878 30.300 0.067 0.000 0.875 407 R HN 0.408 nan 8.270 nan 0.000 0.445 408 A N 0.980 123.788 122.820 -0.019 0.000 2.119 408 A HA -0.102 3.400 4.320 -1.363 0.000 0.217 408 A C 2.087 179.653 177.584 -0.030 0.000 1.153 408 A CA 1.456 53.483 52.037 -0.016 0.000 0.692 408 A CB -0.217 18.784 19.000 0.001 0.000 0.799 408 A HN 0.383 nan 8.150 nan 0.000 0.458 409 S N -1.786 113.883 115.700 -0.052 0.000 2.478 409 S HA 0.339 3.991 4.470 -1.363 0.000 0.222 409 S C 1.488 176.056 174.600 -0.053 0.000 1.008 409 S CA 1.059 59.237 58.200 -0.037 0.000 0.928 409 S CB -0.474 62.717 63.200 -0.015 0.000 0.781 409 S HN 1.836 nan 8.310 nan 0.000 0.518 410 G N 0.782 109.517 108.800 -0.108 0.000 2.198 410 G HA2 -0.384 2.758 3.960 -1.363 0.000 0.260 410 G HA3 -0.384 2.758 3.960 -1.363 0.000 0.260 410 G C 0.183 175.019 174.900 -0.108 0.000 1.025 410 G CA 0.500 45.537 45.100 -0.104 0.000 0.769 410 G HN 0.638 nan 8.290 nan 0.000 0.507 411 Y N 0.633 120.757 120.300 -0.293 0.000 2.165 411 Y HA -0.183 3.549 4.550 -1.363 0.000 0.286 411 Y C 2.784 178.594 175.900 -0.150 0.000 1.155 411 Y CA 2.664 60.632 58.100 -0.220 0.000 1.164 411 Y CB -0.144 38.150 38.460 -0.277 0.000 0.978 411 Y HN 0.340 nan 8.280 nan 0.000 0.513 412 R N 1.041 121.497 120.500 -0.074 0.000 2.083 412 R HA -0.159 3.363 4.340 -1.363 0.000 0.237 412 R C 2.303 178.560 176.300 -0.071 0.000 1.137 412 R CA 1.903 58.010 56.100 0.012 0.000 0.951 412 R CB -1.317 29.036 30.300 0.089 0.000 0.851 412 R HN 0.426 nan 8.270 nan 0.000 0.434 413 A N 0.932 123.705 122.820 -0.079 0.000 1.883 413 A HA -0.203 3.299 4.320 -1.363 0.000 0.217 413 A C 2.304 179.827 177.584 -0.102 0.000 1.186 413 A CA 1.772 53.768 52.037 -0.068 0.000 0.624 413 A CB -0.724 18.242 19.000 -0.056 0.000 0.822 413 A HN 0.470 nan 8.150 nan 0.000 0.444 414 R N 0.137 120.544 120.500 -0.155 0.000 2.103 414 R HA -0.162 3.360 4.340 -1.363 0.000 0.234 414 R C 2.029 178.204 176.300 -0.208 0.000 1.132 414 R CA 2.789 58.780 56.100 -0.182 0.000 0.925 414 R CB -0.777 29.383 30.300 -0.233 0.000 0.842 414 R HN 0.530 nan 8.270 nan 0.000 0.430 415 V N -1.339 118.372 119.914 -0.337 0.000 3.026 415 V HA 0.005 3.307 4.120 -1.363 0.000 0.265 415 V C 2.175 178.200 176.094 -0.114 0.000 1.121 415 V CA 1.575 63.722 62.300 -0.254 0.000 1.142 415 V CB -0.898 30.722 31.823 -0.337 0.000 0.730 415 V HN 0.451 nan 8.190 nan 0.000 0.503 416 A N 0.424 123.188 122.820 -0.092 0.000 2.016 416 A HA 0.376 3.879 4.320 -1.363 0.000 0.217 416 A C 2.331 179.894 177.584 -0.034 0.000 1.162 416 A CA 1.500 53.514 52.037 -0.039 0.000 0.662 416 A CB -0.544 18.441 19.000 -0.025 0.000 0.812 416 A HN 0.891 nan 8.150 nan 0.000 0.450 417 A N -0.356 122.434 122.820 -0.050 0.000 2.132 417 A HA 0.116 3.618 4.320 -1.363 0.000 0.213 417 A C 1.650 179.215 177.584 -0.033 0.000 1.154 417 A CA 0.911 52.926 52.037 -0.036 0.000 0.753 417 A CB -0.141 18.835 19.000 -0.040 0.000 0.826 417 A HN 0.573 nan 8.150 nan 0.000 0.469 418 E N -0.388 119.786 120.200 -0.045 0.000 2.400 418 E HA 0.074 3.606 4.350 -1.363 0.000 0.195 418 E C 0.107 176.698 176.600 -0.014 0.000 1.012 418 E CA 0.083 56.464 56.400 -0.032 0.000 0.875 418 E CB 0.290 29.963 29.700 -0.046 0.000 0.859 418 E HN 0.421 nan 8.360 nan 0.000 0.498 419 R N 1.588 122.080 120.500 -0.013 0.000 2.637 419 R HA 0.344 3.866 4.340 -1.363 0.000 0.291 419 R C -2.668 173.638 176.300 0.009 0.000 0.963 419 R CA -2.191 53.912 56.100 0.005 0.000 0.901 419 R CB 1.091 31.399 30.300 0.013 0.000 1.160 419 R HN -0.148 nan 8.270 nan 0.000 0.457 420 P HA 0.001 nan 4.420 nan 0.000 0.264 420 P C -0.751 176.560 177.300 0.019 0.000 1.193 420 P CA 0.241 63.351 63.100 0.016 0.000 0.763 420 P CB 0.855 32.566 31.700 0.018 0.000 0.810 421 A N 0.000 122.831 122.820 0.018 0.000 2.254 421 A HA 0.000 3.502 4.320 -1.363 0.000 0.244 421 A CA 0.000 52.050 52.037 0.022 0.000 0.836 421 A CB 0.000 19.012 19.000 0.021 0.000 0.831 421 A HN 0.000 nan 8.150 nan 0.000 0.486