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 3ocf_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTRREQDSLG ERDIPMDAYF GIQTLRAVEN FSLSDVALNH IPALVRALAM DATA SEQUENCE VKKAAATANY KLRQLPEPKY AAIVAACDDI IDGLLMEQFV VDVFQGGAGT DATA SEQUENCE SSNMNANEVI ANRALEHLGR PRGDYQTIHP NDDVNMSQST NDVYPTAVRL DATA SEQUENCE ALLLSQNQVQ TALHRLIAAF EAKGREFATV IKIGRTQLQD AVPITLGQEF DATA SEQUENCE EAFAATLRED TARLEEVAAL FREVNLGGXX XXXXXXXXHA YAEQAIVELS DATA SEQUENCE QISGIELKAT GNLVEASWDT GAFVTFSGIL RRIAVKLSKI ANDLRLLSSG DATA SEQUENCE PRSGLGEIRL PAVQPGSSIM PGKVNPVIPE SVNQVCYQVI GNDLTVTMAA DATA SEQUENCE ESGQLQLNAF EPLIVYNILS SMRLLGRAMT NLAERCVDGI EANVERCRAG DATA SEQUENCE AEESISLATA LVPVVGYARA AEIAKQALAS GQTVMEVAIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.269 176.300 -0.051 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.042 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 T N -0.598 113.925 114.554 -0.051 0.000 2.907 2 T HA 0.936 5.287 4.350 0.002 0.000 0.292 2 T C -0.214 174.446 174.700 -0.067 0.000 1.043 2 T CA -0.620 61.445 62.100 -0.058 0.000 1.003 2 T CB 1.598 70.443 68.868 -0.039 0.000 1.084 2 T HN 1.667 nan 8.240 nan 0.000 0.483 3 R N -0.563 119.887 120.500 -0.083 0.000 2.643 3 R HA 0.842 5.183 4.340 0.002 0.000 0.272 3 R C -0.180 176.082 176.300 -0.063 0.000 0.995 3 R CA -1.085 54.963 56.100 -0.087 0.000 1.032 3 R CB 0.617 30.841 30.300 -0.125 0.000 1.126 3 R HN 0.844 nan 8.270 nan 0.000 0.505 4 R N 1.750 122.218 120.500 -0.055 0.000 2.368 4 R HA 0.356 4.697 4.340 0.002 0.000 0.302 4 R C -0.649 175.637 176.300 -0.023 0.000 1.002 4 R CA -0.577 55.505 56.100 -0.030 0.000 0.929 4 R CB 0.477 30.763 30.300 -0.023 0.000 1.073 4 R HN 0.873 nan 8.270 nan 0.000 0.464 5 E N 0.099 120.304 120.200 0.009 0.000 2.392 5 E HA 0.693 5.043 4.350 0.002 0.000 0.269 5 E C -0.851 175.783 176.600 0.057 0.000 0.924 5 E CA -0.793 55.638 56.400 0.051 0.000 0.784 5 E CB 2.167 31.927 29.700 0.099 0.000 1.292 5 E HN 0.773 nan 8.360 nan 0.000 0.447 6 Q N 1.402 121.251 119.800 0.082 0.000 2.359 6 Q HA 0.516 4.857 4.340 0.002 0.000 0.274 6 Q C -1.374 174.665 176.000 0.065 0.000 1.074 6 Q CA -0.912 54.928 55.803 0.063 0.000 0.810 6 Q CB 1.756 30.528 28.738 0.057 0.000 1.342 6 Q HN 0.600 nan 8.270 nan 0.000 0.427 7 D N -1.358 119.068 120.400 0.044 0.000 2.801 7 D HA 0.424 5.065 4.640 0.002 0.000 0.277 7 D C 1.186 177.505 176.300 0.031 0.000 1.125 7 D CA 0.424 54.446 54.000 0.037 0.000 1.102 7 D CB 0.471 41.283 40.800 0.020 0.000 1.400 7 D HN 0.701 nan 8.370 nan 0.000 0.601 8 S N -0.980 114.736 115.700 0.027 0.000 2.469 8 S HA -0.110 4.360 4.470 0.002 0.000 0.238 8 S C 1.779 176.388 174.600 0.015 0.000 0.998 8 S CA 0.625 58.838 58.200 0.021 0.000 0.957 8 S CB -0.733 62.478 63.200 0.019 0.000 0.764 8 S HN 0.490 nan 8.310 nan 0.000 0.514 9 L N 0.702 121.932 121.223 0.012 0.000 2.341 9 L HA 0.367 4.708 4.340 0.002 0.000 0.214 9 L C 1.568 178.442 176.870 0.007 0.000 1.115 9 L CA 0.463 55.306 54.840 0.006 0.000 0.820 9 L CB -0.565 41.494 42.059 -0.000 0.000 0.944 9 L HN 0.672 nan 8.230 nan 0.000 0.452 10 G N -0.972 107.835 108.800 0.012 0.000 2.302 10 G HA2 0.263 4.224 3.960 0.002 0.000 0.264 10 G HA3 0.263 4.224 3.960 0.002 0.000 0.264 10 G C -1.392 173.518 174.900 0.016 0.000 1.335 10 G CA -0.276 44.831 45.100 0.012 0.000 0.982 10 G HN 0.037 nan 8.290 nan 0.000 0.473 11 E N -0.223 119.985 120.200 0.013 0.000 2.202 11 E HA 0.854 5.205 4.350 0.002 0.000 0.272 11 E C -0.097 176.510 176.600 0.012 0.000 0.951 11 E CA -0.811 55.598 56.400 0.016 0.000 0.813 11 E CB 1.536 31.243 29.700 0.012 0.000 1.151 11 E HN 0.705 nan 8.360 nan 0.000 0.398 12 R N 1.117 121.627 120.500 0.017 0.000 2.774 12 R HA 0.451 4.792 4.340 0.002 0.000 0.272 12 R C -1.521 174.787 176.300 0.012 0.000 1.000 12 R CA -0.949 55.160 56.100 0.015 0.000 0.906 12 R CB 1.787 32.100 30.300 0.021 0.000 1.227 12 R HN 0.677 nan 8.270 nan 0.000 0.468 13 D N 1.691 122.096 120.400 0.008 0.000 2.210 13 D HA 0.401 5.042 4.640 0.002 0.000 0.249 13 D C 0.101 176.405 176.300 0.007 0.000 1.078 13 D CA -0.173 53.826 54.000 -0.001 0.000 0.875 13 D CB 1.387 42.183 40.800 -0.007 0.000 1.175 13 D HN 0.156 nan 8.370 nan 0.000 0.440 14 I N 2.282 122.843 120.570 -0.014 0.000 2.509 14 I HA 0.258 4.429 4.170 0.002 0.000 0.293 14 I C -2.377 173.693 176.117 -0.078 0.000 1.020 14 I CA -2.862 58.422 61.300 -0.026 0.000 1.088 14 I CB 1.292 39.258 38.000 -0.057 0.000 1.267 14 I HN -0.110 nan 8.210 nan 0.000 0.430 15 P HA -0.001 nan 4.420 nan 0.000 0.258 15 P C 1.008 178.201 177.300 -0.178 0.000 1.172 15 P CA 0.080 63.114 63.100 -0.111 0.000 0.762 15 P CB 0.409 32.051 31.700 -0.096 0.000 0.764 16 M N 4.970 124.485 119.600 -0.141 0.000 2.146 16 M HA -0.264 4.216 4.480 0.002 0.000 0.256 16 M C 1.039 177.207 176.300 -0.221 0.000 1.075 16 M CA 2.143 57.346 55.300 -0.161 0.000 1.082 16 M CB -0.764 31.765 32.600 -0.119 0.000 1.355 16 M HN 0.302 nan 8.290 nan 0.000 0.402 17 D N 0.054 120.323 120.400 -0.218 0.000 2.240 17 D HA 0.132 4.773 4.640 0.002 0.000 0.206 17 D C 0.905 176.980 176.300 -0.375 0.000 0.963 17 D CA 0.745 54.593 54.000 -0.252 0.000 0.863 17 D CB -1.260 39.452 40.800 -0.146 0.000 0.973 17 D HN 0.483 nan 8.370 nan 0.000 0.501 18 A N 0.181 122.760 122.820 -0.402 0.000 2.587 18 A HA -0.063 4.258 4.320 0.002 0.000 0.235 18 A C 0.247 177.493 177.584 -0.564 0.000 1.044 18 A CA 0.067 51.751 52.037 -0.589 0.000 0.754 18 A CB -0.230 18.060 19.000 -1.183 0.000 0.968 18 A HN 0.224 nan 8.150 nan 0.000 0.509 19 Y N 1.578 121.667 120.300 -0.352 0.000 2.519 19 Y HA 0.096 4.647 4.550 0.002 0.000 0.287 19 Y C 0.955 176.761 175.900 -0.156 0.000 1.128 19 Y CA 0.756 58.736 58.100 -0.199 0.000 1.282 19 Y CB -0.274 38.121 38.460 -0.109 0.000 1.027 19 Y HN 0.731 nan 8.280 nan 0.000 0.551 20 F N -0.485 119.477 119.950 0.020 0.000 2.399 20 F HA 0.688 5.216 4.527 0.002 0.000 0.313 20 F C 0.788 176.589 175.800 0.002 0.000 1.202 20 F CA -0.896 57.081 58.000 -0.037 0.000 1.192 20 F CB 0.105 39.052 39.000 -0.089 0.000 1.256 20 F HN -0.133 nan 8.300 nan 0.000 0.558 21 G N 0.176 109.137 108.800 0.268 0.000 3.217 21 G HA2 0.354 4.314 3.960 0.002 0.000 0.213 21 G HA3 0.354 4.314 3.960 0.002 0.000 0.213 21 G C 0.143 175.168 174.900 0.209 0.000 1.294 21 G CA -0.585 44.628 45.100 0.188 0.000 0.987 21 G HN 0.958 nan 8.290 nan 0.000 0.584 22 I N -0.267 120.379 120.570 0.128 0.000 2.252 22 I HA -0.158 4.013 4.170 0.002 0.000 0.245 22 I C 2.749 178.900 176.117 0.057 0.000 1.102 22 I CA 1.383 62.737 61.300 0.090 0.000 1.385 22 I CB -0.048 37.992 38.000 0.066 0.000 1.064 22 I HN 0.529 nan 8.210 nan 0.000 0.414 23 Q N -0.229 119.590 119.800 0.033 0.000 2.084 23 Q HA -0.192 4.149 4.340 0.002 0.000 0.202 23 Q C 2.058 178.068 176.000 0.015 0.000 0.978 23 Q CA 2.221 58.033 55.803 0.014 0.000 0.844 23 Q CB -0.329 28.406 28.738 -0.005 0.000 0.898 23 Q HN 0.515 nan 8.270 nan 0.000 0.426 24 T N 1.638 116.211 114.554 0.031 0.000 2.812 24 T HA -0.105 4.246 4.350 0.002 0.000 0.264 24 T C 1.801 176.439 174.700 -0.103 0.000 1.042 24 T CA 0.748 62.828 62.100 -0.035 0.000 1.140 24 T CB -0.243 68.593 68.868 -0.052 0.000 0.870 24 T HN 0.100 nan 8.240 nan 0.000 0.445 25 L N 1.473 122.693 121.223 -0.004 0.000 2.042 25 L HA -0.062 4.279 4.340 0.002 0.000 0.210 25 L C 2.445 179.285 176.870 -0.049 0.000 1.076 25 L CA 1.718 56.555 54.840 -0.006 0.000 0.749 25 L CB -0.459 41.675 42.059 0.124 0.000 0.893 25 L HN 0.083 nan 8.230 nan 0.000 0.432 26 R N -0.805 119.670 120.500 -0.041 0.000 2.081 26 R HA -0.133 4.208 4.340 0.002 0.000 0.235 26 R C 2.233 178.435 176.300 -0.163 0.000 1.131 26 R CA 1.344 57.392 56.100 -0.086 0.000 0.960 26 R CB -0.636 29.626 30.300 -0.063 0.000 0.856 26 R HN 0.543 nan 8.270 nan 0.000 0.436 27 A N 0.621 123.371 122.820 -0.117 0.000 1.902 27 A HA -0.105 4.216 4.320 0.002 0.000 0.217 27 A C 2.343 179.863 177.584 -0.107 0.000 1.181 27 A CA 1.270 53.246 52.037 -0.102 0.000 0.623 27 A CB -0.508 18.555 19.000 0.106 0.000 0.818 27 A HN 0.118 nan 8.150 nan 0.000 0.443 28 V N 0.357 120.206 119.914 -0.109 0.000 2.324 28 V HA -0.316 3.805 4.120 0.002 0.000 0.250 28 V C 2.391 178.421 176.094 -0.107 0.000 1.060 28 V CA 2.480 64.718 62.300 -0.104 0.000 1.042 28 V CB -0.861 30.869 31.823 -0.155 0.000 0.650 28 V HN 0.682 nan 8.190 nan 0.000 0.450 29 E N -0.228 119.888 120.200 -0.140 0.000 2.158 29 E HA -0.126 4.225 4.350 0.002 0.000 0.191 29 E C 2.048 178.519 176.600 -0.214 0.000 0.982 29 E CA 0.887 57.204 56.400 -0.138 0.000 0.823 29 E CB -0.190 29.441 29.700 -0.115 0.000 0.766 29 E HN 0.572 nan 8.360 nan 0.000 0.468 30 N N 0.285 118.744 118.700 -0.402 0.000 2.171 30 N HA -0.073 4.668 4.740 0.002 0.000 0.184 30 N C 0.613 175.748 175.510 -0.626 0.000 1.021 30 N CA 1.007 53.641 53.050 -0.694 0.000 0.854 30 N CB 0.065 37.807 38.487 -1.241 0.000 0.994 30 N HN 0.121 nan 8.380 nan 0.000 0.426 31 F N -0.197 119.745 119.950 -0.014 0.000 2.791 31 F HA 0.322 4.850 4.527 0.002 0.000 0.308 31 F C 0.703 176.500 175.800 -0.003 0.000 1.138 31 F CA -1.002 56.998 58.000 -0.000 0.000 1.294 31 F CB -0.250 38.754 39.000 0.008 0.000 0.975 31 F HN -0.299 nan 8.300 nan 0.000 0.512 32 S N 1.443 117.186 115.700 0.073 0.000 2.503 32 S HA 0.380 4.851 4.470 0.002 0.000 0.317 32 S C 0.820 175.439 174.600 0.032 0.000 1.162 32 S CA 0.155 58.378 58.200 0.038 0.000 1.124 32 S CB -0.156 63.039 63.200 -0.008 0.000 1.207 32 S HN 0.473 nan 8.310 nan 0.000 0.538 33 L N 3.726 124.971 121.223 0.036 0.000 2.746 33 L HA 0.191 4.532 4.340 0.002 0.000 0.230 33 L C 1.888 178.712 176.870 -0.076 0.000 1.034 33 L CA 0.332 55.159 54.840 -0.022 0.000 0.922 33 L CB -0.120 41.927 42.059 -0.019 0.000 1.496 33 L HN 0.667 nan 8.230 nan 0.000 0.498 34 S N -3.251 112.438 115.700 -0.018 0.000 2.559 34 S HA 0.097 4.568 4.470 0.002 0.000 0.226 34 S C 0.400 175.004 174.600 0.006 0.000 1.030 34 S CA 0.036 58.224 58.200 -0.019 0.000 0.956 34 S CB 0.465 63.741 63.200 0.127 0.000 0.900 34 S HN 0.293 nan 8.310 nan 0.000 0.510 35 D N 0.590 120.993 120.400 0.005 0.000 3.039 35 D HA -0.114 4.527 4.640 0.002 0.000 0.222 35 D C -0.668 175.620 176.300 -0.020 0.000 1.179 35 D CA 0.832 54.828 54.000 -0.007 0.000 0.880 35 D CB -1.667 39.124 40.800 -0.015 0.000 1.115 35 D HN 0.446 nan 8.370 nan 0.000 0.416 36 V N 0.319 120.228 119.914 -0.008 0.000 2.334 36 V HA 0.673 4.794 4.120 0.002 0.000 0.281 36 V C 0.684 176.759 176.094 -0.032 0.000 1.016 36 V CA -0.356 61.916 62.300 -0.048 0.000 0.832 36 V CB 1.644 33.432 31.823 -0.058 0.000 0.999 36 V HN 0.291 nan 8.190 nan 0.000 0.439 37 A N 3.665 126.492 122.820 0.012 0.000 2.269 37 A HA 0.700 5.021 4.320 0.002 0.000 0.327 37 A C 0.856 178.482 177.584 0.069 0.000 1.112 37 A CA -0.582 51.475 52.037 0.033 0.000 0.865 37 A CB 0.736 19.762 19.000 0.044 0.000 1.227 37 A HN 0.699 nan 8.150 nan 0.000 0.498 38 L N 0.886 122.154 121.223 0.075 0.000 2.137 38 L HA -0.241 4.100 4.340 0.002 0.000 0.213 38 L C 2.092 179.022 176.870 0.099 0.000 1.085 38 L CA 2.761 57.656 54.840 0.092 0.000 0.760 38 L CB -1.091 41.059 42.059 0.151 0.000 0.893 38 L HN 0.951 nan 8.230 nan 0.000 0.434 39 N N -2.584 116.200 118.700 0.140 0.000 2.519 39 N HA -0.257 4.484 4.740 0.002 0.000 0.186 39 N C 1.745 177.332 175.510 0.129 0.000 1.062 39 N CA 1.465 54.587 53.050 0.121 0.000 0.910 39 N CB -0.696 37.882 38.487 0.153 0.000 0.958 39 N HN 0.507 nan 8.380 nan 0.000 0.445 40 H N 0.383 119.480 119.070 0.046 0.000 2.547 40 H HA 0.208 4.765 4.556 0.001 0.000 0.272 40 H C 0.192 175.558 175.328 0.064 0.000 0.989 40 H CA 0.496 56.580 56.048 0.061 0.000 1.214 40 H CB 0.081 29.895 29.762 0.088 0.000 1.389 40 H HN 0.489 nan 8.280 nan 0.000 0.577 41 I N -1.707 118.879 120.570 0.026 0.000 2.778 41 I HA 0.327 4.498 4.170 0.002 0.000 0.285 41 I C -2.192 173.882 176.117 -0.071 0.000 1.236 41 I CA -1.998 59.274 61.300 -0.047 0.000 1.089 41 I CB 1.731 39.740 38.000 0.015 0.000 1.601 41 I HN -0.144 nan 8.210 nan 0.000 0.573 42 P HA -0.139 nan 4.420 nan 0.000 0.225 42 P C 1.540 178.760 177.300 -0.132 0.000 1.148 42 P CA 1.295 64.331 63.100 -0.107 0.000 0.779 42 P CB 0.430 32.082 31.700 -0.080 0.000 0.780 43 A N -0.063 122.685 122.820 -0.121 0.000 1.969 43 A HA -0.141 4.180 4.320 0.002 0.000 0.218 43 A C 2.132 179.626 177.584 -0.149 0.000 1.169 43 A CA 1.178 53.139 52.037 -0.127 0.000 0.635 43 A CB -1.405 17.522 19.000 -0.121 0.000 0.810 43 A HN 0.183 nan 8.150 nan 0.000 0.445 44 L N -0.394 120.737 121.223 -0.153 0.000 2.109 44 L HA -0.021 4.320 4.340 0.002 0.000 0.207 44 L C 2.341 179.100 176.870 -0.184 0.000 1.086 44 L CA 1.555 56.295 54.840 -0.166 0.000 0.760 44 L CB -0.440 41.539 42.059 -0.134 0.000 0.910 44 L HN 0.134 nan 8.230 nan 0.000 0.437 45 V N -0.002 119.768 119.914 -0.241 0.000 2.295 45 V HA -0.270 3.851 4.120 0.002 0.000 0.246 45 V C 2.708 178.599 176.094 -0.338 0.000 1.049 45 V CA 2.015 64.055 62.300 -0.432 0.000 1.024 45 V CB -0.644 30.783 31.823 -0.660 0.000 0.648 45 V HN 0.436 nan 8.190 nan 0.000 0.447 46 R N 0.142 120.500 120.500 -0.238 0.000 2.091 46 R HA -0.135 4.206 4.340 0.002 0.000 0.238 46 R C 2.402 178.626 176.300 -0.126 0.000 1.136 46 R CA 1.525 57.529 56.100 -0.162 0.000 0.959 46 R CB -0.582 29.645 30.300 -0.122 0.000 0.856 46 R HN 0.546 nan 8.270 nan 0.000 0.437 47 A N 1.101 123.841 122.820 -0.132 0.000 1.930 47 A HA -0.085 4.236 4.320 0.002 0.000 0.217 47 A C 2.171 179.702 177.584 -0.088 0.000 1.175 47 A CA 0.907 52.878 52.037 -0.110 0.000 0.627 47 A CB -0.441 18.478 19.000 -0.135 0.000 0.815 47 A HN 0.160 nan 8.150 nan 0.000 0.443 48 L N -0.585 120.580 121.223 -0.097 0.000 2.013 48 L HA -0.262 4.079 4.340 0.002 0.000 0.212 48 L C 3.084 179.949 176.870 -0.009 0.000 1.073 48 L CA 1.320 56.136 54.840 -0.039 0.000 0.753 48 L CB -0.458 41.592 42.059 -0.016 0.000 0.890 48 L HN 0.443 nan 8.230 nan 0.000 0.432 49 A N -0.599 122.198 122.820 -0.039 0.000 1.972 49 A HA -0.211 4.110 4.320 0.002 0.000 0.219 49 A C 2.285 179.872 177.584 0.004 0.000 1.169 49 A CA 1.625 53.660 52.037 -0.003 0.000 0.635 49 A CB -0.435 18.547 19.000 -0.029 0.000 0.810 49 A HN 0.371 nan 8.150 nan 0.000 0.446 50 M N -0.769 118.821 119.600 -0.017 0.000 2.117 50 M HA -0.127 4.354 4.480 0.002 0.000 0.262 50 M C 2.076 178.383 176.300 0.012 0.000 1.065 50 M CA 1.406 56.701 55.300 -0.008 0.000 1.114 50 M CB -0.512 32.074 32.600 -0.025 0.000 1.361 50 M HN 0.239 nan 8.290 nan 0.000 0.408 51 V N 0.523 120.445 119.914 0.012 0.000 2.427 51 V HA -0.226 3.895 4.120 0.002 0.000 0.248 51 V C 2.406 178.542 176.094 0.070 0.000 1.051 51 V CA 1.483 63.803 62.300 0.034 0.000 1.048 51 V CB -0.725 31.116 31.823 0.029 0.000 0.666 51 V HN 0.380 nan 8.190 nan 0.000 0.456 52 K N 0.425 120.869 120.400 0.072 0.000 2.097 52 K HA -0.184 4.137 4.320 0.002 0.000 0.206 52 K C 2.106 178.766 176.600 0.099 0.000 1.049 52 K CA 1.324 57.668 56.287 0.095 0.000 0.933 52 K CB -0.307 32.249 32.500 0.094 0.000 0.717 52 K HN 0.441 nan 8.250 nan 0.000 0.442 53 K N 0.888 121.333 120.400 0.074 0.000 2.025 53 K HA -0.072 4.249 4.320 0.002 0.000 0.207 53 K C 2.126 178.788 176.600 0.103 0.000 1.049 53 K CA 1.201 57.532 56.287 0.074 0.000 0.933 53 K CB -0.079 32.445 32.500 0.040 0.000 0.714 53 K HN 0.063 nan 8.250 nan 0.000 0.438 54 A N 1.042 123.910 122.820 0.080 0.000 1.902 54 A HA -0.110 4.211 4.320 0.002 0.000 0.217 54 A C 2.317 179.965 177.584 0.107 0.000 1.181 54 A CA 1.903 53.983 52.037 0.072 0.000 0.623 54 A CB -0.816 18.200 19.000 0.027 0.000 0.818 54 A HN 0.489 nan 8.150 nan 0.000 0.443 55 A N -0.207 122.707 122.820 0.155 0.000 1.933 55 A HA 0.184 4.505 4.320 0.002 0.000 0.218 55 A C 2.491 180.253 177.584 0.298 0.000 1.175 55 A CA 1.998 54.206 52.037 0.285 0.000 0.628 55 A CB -0.961 18.229 19.000 0.316 0.000 0.814 55 A HN 1.041 nan 8.150 nan 0.000 0.444 56 A N -0.903 122.062 122.820 0.241 0.000 1.902 56 A HA -0.080 4.241 4.320 0.002 0.000 0.217 56 A C 2.310 180.122 177.584 0.380 0.000 1.181 56 A CA 2.300 54.507 52.037 0.284 0.000 0.623 56 A CB -1.219 17.924 19.000 0.239 0.000 0.818 56 A HN 0.432 nan 8.150 nan 0.000 0.443 57 T N 0.324 115.087 114.554 0.349 0.000 2.737 57 T HA 0.005 4.356 4.350 0.002 0.000 0.265 57 T C 2.278 177.098 174.700 0.200 0.000 1.038 57 T CA 1.594 63.901 62.100 0.344 0.000 1.144 57 T CB -0.535 68.499 68.868 0.277 0.000 0.866 57 T HN 0.597 nan 8.240 nan 0.000 0.434 58 A N 2.661 125.574 122.820 0.155 0.000 1.865 58 A HA -0.213 4.108 4.320 0.002 0.000 0.217 58 A C 2.284 179.977 177.584 0.181 0.000 1.191 58 A CA 1.721 53.821 52.037 0.106 0.000 0.623 58 A CB -0.794 18.192 19.000 -0.023 0.000 0.826 58 A HN 0.398 nan 8.150 nan 0.000 0.444 59 N N -1.492 117.371 118.700 0.273 0.000 2.104 59 N HA -0.192 4.549 4.740 0.002 0.000 0.190 59 N C 1.635 177.219 175.510 0.123 0.000 1.024 59 N CA 1.846 55.020 53.050 0.206 0.000 0.853 59 N CB -0.590 38.014 38.487 0.195 0.000 1.008 59 N HN 0.692 nan 8.380 nan 0.000 0.424 60 Y N 2.070 122.349 120.300 -0.035 0.000 2.145 60 Y HA -0.087 4.464 4.550 0.002 0.000 0.286 60 Y C 2.008 177.794 175.900 -0.191 0.000 1.145 60 Y CA 1.578 59.548 58.100 -0.217 0.000 1.148 60 Y CB -0.217 37.809 38.460 -0.724 0.000 0.981 60 Y HN -0.092 nan 8.280 nan 0.000 0.507 61 K N 0.131 120.343 120.400 -0.313 0.000 2.280 61 K HA -0.058 4.263 4.320 0.002 0.000 0.202 61 K C 1.131 177.588 176.600 -0.238 0.000 1.047 61 K CA 1.225 57.299 56.287 -0.355 0.000 0.942 61 K CB -0.209 32.205 32.500 -0.144 0.000 0.739 61 K HN 0.376 nan 8.250 nan 0.000 0.457 62 L N 0.900 122.045 121.223 -0.130 0.000 2.848 62 L HA 0.213 4.554 4.340 0.002 0.000 0.240 62 L C -0.158 176.667 176.870 -0.075 0.000 1.232 62 L CA -0.344 54.453 54.840 -0.071 0.000 1.031 62 L CB 0.112 42.179 42.059 0.014 0.000 1.338 62 L HN 0.067 nan 8.230 nan 0.000 0.509 63 R N -0.339 120.076 120.500 -0.140 0.000 3.953 63 R HA -0.235 4.105 4.340 0.002 0.000 0.340 63 R C 0.943 177.226 176.300 -0.027 0.000 1.195 63 R CA 0.924 56.967 56.100 -0.096 0.000 0.929 63 R CB -2.066 28.188 30.300 -0.076 0.000 1.402 63 R HN 0.557 nan 8.270 nan 0.000 0.540 64 Q N -0.455 119.344 119.800 -0.000 0.000 2.391 64 Q HA 0.176 4.517 4.340 0.002 0.000 0.211 64 Q C 0.230 176.265 176.000 0.058 0.000 0.908 64 Q CA 0.310 56.127 55.803 0.024 0.000 0.920 64 Q CB 0.470 29.220 28.738 0.019 0.000 1.056 64 Q HN 0.089 nan 8.270 nan 0.000 0.523 65 L N 1.752 123.035 121.223 0.100 0.000 2.343 65 L HA 0.463 4.804 4.340 0.002 0.000 0.278 65 L C -2.720 174.279 176.870 0.216 0.000 0.996 65 L CA -2.375 52.561 54.840 0.159 0.000 0.831 65 L CB 1.346 43.530 42.059 0.209 0.000 1.232 65 L HN -0.221 nan 8.230 nan 0.000 0.413 66 P HA 0.073 nan 4.420 nan 0.000 0.266 66 P C 0.418 177.857 177.300 0.232 0.000 1.195 66 P CA 0.060 63.269 63.100 0.182 0.000 0.768 66 P CB 0.752 32.527 31.700 0.124 0.000 0.838 67 E N 5.864 126.215 120.200 0.252 0.000 2.086 67 E HA -0.236 4.115 4.350 0.002 0.000 0.205 67 E C -0.694 175.990 176.600 0.140 0.000 1.027 67 E CA 2.601 59.120 56.400 0.198 0.000 0.830 67 E CB -1.347 28.476 29.700 0.205 0.000 0.751 67 E HN 0.455 nan 8.360 nan 0.000 0.456 68 P HA -0.144 nan 4.420 nan 0.000 0.219 68 P C 0.581 177.918 177.300 0.062 0.000 1.150 68 P CA 1.615 64.754 63.100 0.065 0.000 0.814 68 P CB 0.028 31.765 31.700 0.062 0.000 0.787 69 K N -0.891 119.568 120.400 0.098 0.000 2.076 69 K HA -0.130 4.191 4.320 0.002 0.000 0.204 69 K C 2.447 179.108 176.600 0.102 0.000 1.051 69 K CA 1.115 57.462 56.287 0.100 0.000 0.949 69 K CB -0.859 31.713 32.500 0.120 0.000 0.726 69 K HN 0.116 nan 8.250 nan 0.000 0.443 70 Y N 1.994 122.290 120.300 -0.007 0.000 2.114 70 Y HA -0.290 4.261 4.550 0.002 0.000 0.282 70 Y C 2.178 178.019 175.900 -0.098 0.000 1.165 70 Y CA 1.603 59.666 58.100 -0.062 0.000 1.148 70 Y CB -0.434 37.910 38.460 -0.193 0.000 0.972 70 Y HN 0.022 nan 8.280 nan 0.000 0.504 71 A N 0.727 123.302 122.820 -0.409 0.000 1.929 71 A HA 0.055 4.375 4.320 0.002 0.000 0.216 71 A C 2.423 179.831 177.584 -0.294 0.000 1.176 71 A CA 1.524 53.227 52.037 -0.556 0.000 0.628 71 A CB -1.430 17.402 19.000 -0.279 0.000 0.816 71 A HN 0.673 nan 8.150 nan 0.000 0.444 72 A N -0.008 122.740 122.820 -0.120 0.000 1.930 72 A HA -0.031 4.290 4.320 0.002 0.000 0.217 72 A C 2.085 179.690 177.584 0.035 0.000 1.175 72 A CA 1.398 53.436 52.037 0.002 0.000 0.627 72 A CB -0.576 18.465 19.000 0.068 0.000 0.815 72 A HN 0.471 nan 8.150 nan 0.000 0.443 73 I N -0.595 119.970 120.570 -0.007 0.000 2.179 73 I HA -0.220 3.951 4.170 0.002 0.000 0.242 73 I C 2.342 178.446 176.117 -0.022 0.000 1.088 73 I CA 1.135 62.446 61.300 0.019 0.000 1.357 73 I CB -0.254 37.775 38.000 0.049 0.000 1.051 73 I HN 0.152 nan 8.210 nan 0.000 0.409 74 V N 0.829 120.653 119.914 -0.150 0.000 2.407 74 V HA -0.279 3.842 4.120 0.002 0.000 0.248 74 V C 2.638 178.671 176.094 -0.101 0.000 1.055 74 V CA 1.947 64.149 62.300 -0.163 0.000 1.049 74 V CB -0.824 30.783 31.823 -0.360 0.000 0.662 74 V HN 0.497 nan 8.190 nan 0.000 0.455 75 A N -0.143 122.612 122.820 -0.110 0.000 1.898 75 A HA -0.078 4.243 4.320 0.002 0.000 0.216 75 A C 2.415 180.042 177.584 0.072 0.000 1.181 75 A CA 1.904 53.889 52.037 -0.086 0.000 0.620 75 A CB -0.702 18.154 19.000 -0.240 0.000 0.819 75 A HN 0.557 nan 8.150 nan 0.000 0.442 76 A N -0.893 122.028 122.820 0.169 0.000 1.933 76 A HA -0.163 4.158 4.320 0.002 0.000 0.218 76 A C 2.299 179.936 177.584 0.088 0.000 1.175 76 A CA 1.676 53.811 52.037 0.163 0.000 0.628 76 A CB -1.256 17.817 19.000 0.122 0.000 0.814 76 A HN 0.601 nan 8.150 nan 0.000 0.444 77 C N -0.344 118.990 119.300 0.058 0.000 2.432 77 C HA -0.096 4.365 4.460 0.002 0.000 0.277 77 C C 2.382 177.386 174.990 0.022 0.000 1.249 77 C CA 1.012 60.055 59.018 0.042 0.000 1.725 77 C CB -1.175 26.583 27.740 0.031 0.000 2.028 77 C HN 0.606 nan 8.230 nan 0.000 0.477 78 D N 1.085 121.490 120.400 0.008 0.000 2.123 78 D HA -0.121 4.520 4.640 0.002 0.000 0.196 78 D C 1.622 177.925 176.300 0.005 0.000 0.992 78 D CA 1.384 55.381 54.000 -0.005 0.000 0.833 78 D CB -0.649 40.137 40.800 -0.023 0.000 0.954 78 D HN 0.494 nan 8.370 nan 0.000 0.455 79 D N 0.394 120.812 120.400 0.030 0.000 2.116 79 D HA -0.130 4.511 4.640 0.002 0.000 0.193 79 D C 2.298 178.605 176.300 0.011 0.000 0.998 79 D CA 0.590 54.609 54.000 0.032 0.000 0.836 79 D CB -0.351 40.490 40.800 0.068 0.000 0.951 79 D HN 0.298 nan 8.370 nan 0.000 0.449 80 I N 0.523 121.104 120.570 0.019 0.000 2.353 80 I HA -0.172 3.999 4.170 0.002 0.000 0.248 80 I C 2.368 178.463 176.117 -0.036 0.000 1.119 80 I CA 0.455 61.760 61.300 0.008 0.000 1.417 80 I CB -0.073 37.955 38.000 0.047 0.000 1.078 80 I HN -0.065 nan 8.210 nan 0.000 0.421 81 I N 0.908 121.460 120.570 -0.030 0.000 2.248 81 I HA -0.335 3.836 4.170 0.002 0.000 0.248 81 I C 1.712 177.806 176.117 -0.038 0.000 1.107 81 I CA 1.399 62.674 61.300 -0.042 0.000 1.373 81 I CB -0.516 37.465 38.000 -0.031 0.000 1.055 81 I HN 0.267 nan 8.210 nan 0.000 0.418 82 D N 0.429 120.814 120.400 -0.025 0.000 2.350 82 D HA -0.025 4.616 4.640 0.002 0.000 0.216 82 D C 1.749 178.036 176.300 -0.022 0.000 0.968 82 D CA 1.297 55.285 54.000 -0.020 0.000 0.894 82 D CB 0.117 40.910 40.800 -0.012 0.000 0.909 82 D HN 0.535 nan 8.370 nan 0.000 0.520 83 G N -0.955 107.829 108.800 -0.027 0.000 2.184 83 G HA2 -0.168 3.793 3.960 0.002 0.000 0.206 83 G HA3 -0.168 3.793 3.960 0.002 0.000 0.206 83 G C 0.621 175.518 174.900 -0.005 0.000 0.995 83 G CA 0.090 45.176 45.100 -0.023 0.000 0.651 83 G HN 0.595 nan 8.290 nan 0.000 0.511 84 L N 0.801 122.021 121.223 -0.006 0.000 2.461 84 L HA 0.798 5.139 4.340 0.002 0.000 0.272 84 L C 2.084 178.957 176.870 0.004 0.000 1.197 84 L CA 0.846 55.680 54.840 -0.010 0.000 0.836 84 L CB -0.407 41.637 42.059 -0.025 0.000 1.105 84 L HN 1.228 nan 8.230 nan 0.000 0.477 85 L N -0.124 121.093 121.223 -0.011 0.000 4.759 85 L HA -0.286 4.054 4.340 0.002 0.000 0.419 85 L C 1.970 178.973 176.870 0.223 0.000 1.093 85 L CA 0.485 55.331 54.840 0.012 0.000 1.037 85 L CB -1.565 40.431 42.059 -0.104 0.000 2.095 85 L HN 0.874 nan 8.230 nan 0.000 0.739 86 M N 0.696 120.401 119.600 0.175 0.000 2.108 86 M HA -0.191 4.290 4.480 0.002 0.000 0.257 86 M C 2.391 178.851 176.300 0.266 0.000 1.071 86 M CA 2.647 58.077 55.300 0.216 0.000 1.093 86 M CB -0.798 31.858 32.600 0.093 0.000 1.345 86 M HN 0.606 nan 8.290 nan 0.000 0.403 87 E N -0.250 120.057 120.200 0.178 0.000 2.409 87 E HA -0.186 4.165 4.350 0.002 0.000 0.198 87 E C 1.177 177.888 176.600 0.185 0.000 1.024 87 E CA 0.898 57.395 56.400 0.160 0.000 0.861 87 E CB -0.503 29.271 29.700 0.123 0.000 0.788 87 E HN 0.539 nan 8.360 nan 0.000 0.521 88 Q N -0.158 119.752 119.800 0.183 0.000 2.403 88 Q HA 0.126 4.467 4.340 0.002 0.000 0.203 88 Q C -0.218 175.694 176.000 -0.147 0.000 0.932 88 Q CA 0.110 55.994 55.803 0.135 0.000 0.945 88 Q CB -0.044 28.719 28.738 0.041 0.000 1.045 88 Q HN 0.265 nan 8.270 nan 0.000 0.511 89 F N 1.328 121.330 119.950 0.087 0.000 2.425 89 F HA 0.101 4.629 4.527 0.002 0.000 0.354 89 F C 1.136 176.931 175.800 -0.009 0.000 1.162 89 F CA -0.554 57.467 58.000 0.034 0.000 1.250 89 F CB 0.636 39.657 39.000 0.036 0.000 1.579 89 F HN -0.214 nan 8.300 nan 0.000 0.589 90 V N -0.798 119.095 119.914 -0.034 0.000 3.528 90 V HA 0.244 4.365 4.120 0.002 0.000 0.294 90 V C 0.430 176.474 176.094 -0.083 0.000 1.404 90 V CA -0.201 62.039 62.300 -0.100 0.000 1.065 90 V CB -0.387 31.252 31.823 -0.307 0.000 0.904 90 V HN 0.143 nan 8.190 nan 0.000 0.435 91 V N 2.639 122.532 119.914 -0.035 0.000 2.572 91 V HA 0.142 4.263 4.120 0.002 0.000 0.291 91 V C 0.613 176.727 176.094 0.033 0.000 1.039 91 V CA 0.131 62.437 62.300 0.011 0.000 1.055 91 V CB 0.837 32.688 31.823 0.047 0.000 0.969 91 V HN 0.506 nan 8.190 nan 0.000 0.482 92 D N 2.978 123.412 120.400 0.057 0.000 2.488 92 D HA -0.028 4.613 4.640 0.002 0.000 0.238 92 D C 1.234 177.514 176.300 -0.033 0.000 1.138 92 D CA 0.169 54.195 54.000 0.045 0.000 0.873 92 D CB 1.721 42.595 40.800 0.124 0.000 1.183 92 D HN 0.458 nan 8.370 nan 0.000 0.458 93 V N 2.243 122.062 119.914 -0.160 0.000 2.720 93 V HA -0.157 3.964 4.120 0.002 0.000 0.256 93 V C 1.598 177.421 176.094 -0.452 0.000 1.082 93 V CA 1.070 63.141 62.300 -0.381 0.000 1.101 93 V CB -0.881 30.449 31.823 -0.822 0.000 0.693 93 V HN 0.414 nan 8.190 nan 0.000 0.479 94 F N 2.038 121.871 119.950 -0.195 0.000 2.732 94 F HA 0.266 4.793 4.527 0.001 0.000 0.303 94 F C 1.525 177.212 175.800 -0.189 0.000 1.110 94 F CA -0.653 57.263 58.000 -0.141 0.000 1.355 94 F CB -0.508 38.436 39.000 -0.093 0.000 1.081 94 F HN 0.355 nan 8.300 nan 0.000 0.565 95 Q N 0.812 120.506 119.800 -0.176 0.000 2.485 95 Q HA 0.076 4.417 4.340 0.002 0.000 0.348 95 Q C 0.655 176.167 176.000 -0.813 0.000 1.097 95 Q CA 0.437 55.824 55.803 -0.692 0.000 1.079 95 Q CB 0.296 28.727 28.738 -0.512 0.000 1.108 95 Q HN 0.317 nan 8.270 nan 0.000 0.400 96 G N 1.010 108.944 108.800 -1.444 0.000 2.563 96 G HA2 0.443 4.404 3.960 0.002 0.000 0.283 96 G HA3 0.443 4.404 3.960 0.002 0.000 0.283 96 G C 0.801 175.363 174.900 -0.564 0.000 1.309 96 G CA -0.424 44.280 45.100 -0.659 0.000 1.022 96 G HN 1.439 nan 8.290 nan 0.000 0.501 97 G N -2.257 106.398 108.800 -0.240 0.000 2.176 97 G HA2 0.167 4.128 3.960 0.002 0.000 0.253 97 G HA3 0.167 4.128 3.960 0.002 0.000 0.253 97 G C 1.092 175.859 174.900 -0.221 0.000 0.979 97 G CA 1.185 46.185 45.100 -0.166 0.000 0.641 97 G HN 2.459 nan 8.290 nan 0.000 0.530 98 A N -1.398 121.258 122.820 -0.272 0.000 2.899 98 A HA 0.390 4.711 4.320 0.002 0.000 0.257 98 A C 2.106 179.372 177.584 -0.530 0.000 1.335 98 A CA 1.938 53.799 52.037 -0.293 0.000 0.924 98 A CB -1.429 17.453 19.000 -0.198 0.000 1.105 98 A HN 2.850 nan 8.150 nan 0.000 0.765 99 G N -4.389 103.970 108.800 -0.734 0.000 2.229 99 G HA2 -0.070 3.891 3.960 0.002 0.000 0.189 99 G HA3 -0.070 3.891 3.960 0.002 0.000 0.189 99 G C 1.164 175.736 174.900 -0.547 0.000 1.000 99 G CA 1.078 45.383 45.100 -1.325 0.000 0.663 99 G HN 1.363 nan 8.290 nan 0.000 0.493 100 T N 1.284 115.666 114.554 -0.288 0.000 2.699 100 T HA -0.113 4.238 4.350 0.002 0.000 0.268 100 T C 2.533 177.207 174.700 -0.043 0.000 1.036 100 T CA 2.214 64.250 62.100 -0.107 0.000 1.147 100 T CB -0.265 68.571 68.868 -0.053 0.000 0.862 100 T HN 0.373 nan 8.240 nan 0.000 0.446 101 S N 0.919 116.594 115.700 -0.042 0.000 2.406 101 S HA -0.026 4.445 4.470 0.002 0.000 0.228 101 S C 2.481 177.108 174.600 0.045 0.000 1.020 101 S CA 0.689 58.913 58.200 0.040 0.000 0.965 101 S CB -0.234 63.040 63.200 0.123 0.000 0.798 101 S HN 0.434 nan 8.310 nan 0.000 0.488 102 S N 2.146 117.859 115.700 0.021 0.000 2.356 102 S HA -0.113 4.358 4.470 0.002 0.000 0.223 102 S C 1.813 176.514 174.600 0.170 0.000 1.032 102 S CA 1.227 59.505 58.200 0.130 0.000 1.005 102 S CB -0.534 62.791 63.200 0.208 0.000 0.867 102 S HN 0.550 nan 8.310 nan 0.000 0.449 103 N N 1.285 120.061 118.700 0.126 0.000 2.069 103 N HA -0.070 4.670 4.740 0.002 0.000 0.191 103 N C 1.630 177.202 175.510 0.104 0.000 1.031 103 N CA 1.434 54.562 53.050 0.130 0.000 0.852 103 N CB -0.250 38.296 38.487 0.097 0.000 1.018 103 N HN 0.143 nan 8.380 nan 0.000 0.423 104 M N 0.324 119.966 119.600 0.069 0.000 2.175 104 M HA -0.023 4.458 4.480 0.002 0.000 0.264 104 M C 1.900 178.229 176.300 0.049 0.000 1.063 104 M CA 0.952 56.279 55.300 0.044 0.000 1.119 104 M CB -1.651 30.964 32.600 0.025 0.000 1.377 104 M HN 0.356 nan 8.290 nan 0.000 0.415 105 N N 0.184 118.927 118.700 0.071 0.000 2.104 105 N HA -0.133 4.608 4.740 0.002 0.000 0.190 105 N C 1.654 177.188 175.510 0.040 0.000 1.024 105 N CA 1.330 54.397 53.050 0.028 0.000 0.853 105 N CB 0.169 38.696 38.487 0.066 0.000 1.008 105 N HN 0.312 nan 8.380 nan 0.000 0.424 106 A N 1.161 124.128 122.820 0.245 0.000 1.855 106 A HA -0.147 4.174 4.320 0.002 0.000 0.215 106 A C 1.981 179.664 177.584 0.165 0.000 1.191 106 A CA 1.302 53.542 52.037 0.338 0.000 0.613 106 A CB -0.715 18.471 19.000 0.311 0.000 0.829 106 A HN 0.365 nan 8.150 nan 0.000 0.442 107 N N 0.185 118.947 118.700 0.104 0.000 2.061 107 N HA -0.188 4.553 4.740 0.002 0.000 0.193 107 N C 1.671 177.187 175.510 0.010 0.000 1.030 107 N CA 1.855 54.935 53.050 0.050 0.000 0.856 107 N CB -0.457 38.039 38.487 0.016 0.000 1.023 107 N HN 0.691 nan 8.380 nan 0.000 0.424 108 E N 0.178 120.373 120.200 -0.008 0.000 2.046 108 E HA -0.054 4.297 4.350 0.002 0.000 0.190 108 E C 2.083 178.719 176.600 0.059 0.000 0.982 108 E CA 0.665 57.055 56.400 -0.016 0.000 0.800 108 E CB 0.025 29.727 29.700 0.004 0.000 0.756 108 E HN 0.056 nan 8.360 nan 0.000 0.449 109 V N 1.609 121.543 119.914 0.035 0.000 2.343 109 V HA -0.257 3.864 4.120 0.002 0.000 0.247 109 V C 2.247 178.408 176.094 0.112 0.000 1.051 109 V CA 1.538 63.868 62.300 0.050 0.000 1.036 109 V CB -0.367 31.351 31.823 -0.176 0.000 0.654 109 V HN 0.253 nan 8.190 nan 0.000 0.451 110 I N 0.223 120.861 120.570 0.113 0.000 2.252 110 I HA -0.209 3.962 4.170 0.002 0.000 0.245 110 I C 2.690 178.869 176.117 0.103 0.000 1.102 110 I CA 1.313 62.680 61.300 0.112 0.000 1.385 110 I CB -0.633 37.438 38.000 0.118 0.000 1.064 110 I HN 0.282 nan 8.210 nan 0.000 0.414 111 A N 1.239 124.117 122.820 0.096 0.000 1.873 111 A HA -0.263 4.058 4.320 0.002 0.000 0.218 111 A C 2.094 179.764 177.584 0.143 0.000 1.193 111 A CA 2.227 54.333 52.037 0.116 0.000 0.629 111 A CB -0.810 18.242 19.000 0.086 0.000 0.826 111 A HN 0.442 nan 8.150 nan 0.000 0.447 112 N N -0.980 117.818 118.700 0.163 0.000 2.244 112 N HA -0.136 4.605 4.740 0.002 0.000 0.183 112 N C 1.883 177.470 175.510 0.129 0.000 1.016 112 N CA 1.461 54.580 53.050 0.115 0.000 0.866 112 N CB -0.309 38.211 38.487 0.054 0.000 0.980 112 N HN 0.499 nan 8.380 nan 0.000 0.430 113 R N 1.331 121.949 120.500 0.197 0.000 2.090 113 R HA 0.133 4.474 4.340 0.002 0.000 0.228 113 R C 1.939 178.145 176.300 -0.157 0.000 1.110 113 R CA 1.301 57.431 56.100 0.051 0.000 0.973 113 R CB -0.630 29.639 30.300 -0.052 0.000 0.869 113 R HN 0.119 nan 8.270 nan 0.000 0.440 114 A N 0.490 123.310 122.820 -0.000 0.000 1.930 114 A HA -0.066 4.255 4.320 0.002 0.000 0.217 114 A C 2.190 179.807 177.584 0.055 0.000 1.175 114 A CA 1.301 53.378 52.037 0.066 0.000 0.627 114 A CB -0.598 18.459 19.000 0.096 0.000 0.815 114 A HN 0.351 nan 8.150 nan 0.000 0.443 115 L N -0.744 120.501 121.223 0.036 0.000 2.042 115 L HA -0.233 4.108 4.340 0.002 0.000 0.210 115 L C 2.660 179.526 176.870 -0.007 0.000 1.076 115 L CA 1.913 56.764 54.840 0.019 0.000 0.749 115 L CB -0.408 41.650 42.059 -0.001 0.000 0.893 115 L HN 0.609 nan 8.230 nan 0.000 0.432 116 E N -0.750 119.422 120.200 -0.047 0.000 2.077 116 E HA -0.260 4.091 4.350 0.002 0.000 0.193 116 E C 2.172 178.774 176.600 0.004 0.000 0.989 116 E CA 1.180 57.545 56.400 -0.057 0.000 0.800 116 E CB 0.059 29.716 29.700 -0.071 0.000 0.746 116 E HN 0.504 nan 8.360 nan 0.000 0.452 117 H N 0.083 119.177 119.070 0.039 0.000 2.422 117 H HA -0.093 4.464 4.556 0.002 0.000 0.298 117 H C 1.788 177.121 175.328 0.009 0.000 1.098 117 H CA 1.014 57.074 56.048 0.019 0.000 1.315 117 H CB -0.106 29.662 29.762 0.009 0.000 1.382 117 H HN 0.242 nan 8.280 nan 0.000 0.523 118 L N -0.315 120.983 121.223 0.125 0.000 2.627 118 L HA 0.155 4.496 4.340 0.002 0.000 0.232 118 L C 1.149 178.045 176.870 0.042 0.000 1.150 118 L CA 0.325 55.207 54.840 0.070 0.000 0.917 118 L CB 0.009 42.103 42.059 0.058 0.000 1.104 118 L HN 0.313 nan 8.230 nan 0.000 0.445 119 G N 0.878 109.702 108.800 0.040 0.000 2.249 119 G HA2 -0.254 3.707 3.960 0.002 0.000 0.273 119 G HA3 -0.254 3.707 3.960 0.002 0.000 0.273 119 G C 0.167 175.064 174.900 -0.005 0.000 1.036 119 G CA 0.016 45.126 45.100 0.017 0.000 0.824 119 G HN 0.273 nan 8.290 nan 0.000 0.504 120 R N -0.182 120.310 120.500 -0.014 0.000 2.720 120 R HA 0.613 4.954 4.340 0.002 0.000 0.272 120 R C -2.218 174.040 176.300 -0.070 0.000 0.991 120 R CA -2.098 53.981 56.100 -0.036 0.000 1.010 120 R CB 1.035 31.320 30.300 -0.026 0.000 1.141 120 R HN 0.215 nan 8.270 nan 0.000 0.494 121 P HA 0.213 nan 4.420 nan 0.000 0.276 121 P C -0.466 176.723 177.300 -0.185 0.000 1.261 121 P CA -0.593 62.427 63.100 -0.134 0.000 0.800 121 P CB 0.615 32.238 31.700 -0.128 0.000 1.066 122 R N 0.111 120.472 120.500 -0.231 0.000 2.640 122 R HA 0.220 4.561 4.340 0.002 0.000 0.270 122 R C 1.469 177.545 176.300 -0.373 0.000 1.024 122 R CA 1.049 56.976 56.100 -0.287 0.000 1.085 122 R CB -1.298 28.814 30.300 -0.312 0.000 0.963 122 R HN 0.957 nan 8.270 nan 0.000 0.426 123 G N 1.494 109.922 108.800 -0.620 0.000 2.199 123 G HA2 -0.302 3.658 3.960 0.002 0.000 0.254 123 G HA3 -0.302 3.658 3.960 0.002 0.000 0.254 123 G C 0.157 174.486 174.900 -0.951 0.000 0.982 123 G CA 0.396 44.836 45.100 -1.101 0.000 0.632 123 G HN 0.649 nan 8.290 nan 0.000 0.529 124 D N 0.470 120.571 120.400 -0.500 0.000 2.662 124 D HA 0.296 4.936 4.640 0.002 0.000 0.228 124 D C 1.276 177.512 176.300 -0.106 0.000 1.093 124 D CA -0.494 53.363 54.000 -0.239 0.000 1.075 124 D CB -0.528 40.200 40.800 -0.120 0.000 1.122 124 D HN 0.391 nan 8.370 nan 0.000 0.475 125 Y N 0.344 120.646 120.300 0.004 0.000 2.516 125 Y HA -0.049 4.502 4.550 0.002 0.000 0.291 125 Y C 2.243 178.222 175.900 0.132 0.000 1.131 125 Y CA 0.320 58.437 58.100 0.028 0.000 1.281 125 Y CB -0.607 37.818 38.460 -0.059 0.000 1.013 125 Y HN 0.315 nan 8.280 nan 0.000 0.554 126 Q N 0.393 120.321 119.800 0.214 0.000 2.152 126 Q HA -0.163 4.178 4.340 0.002 0.000 0.206 126 Q C 1.794 177.867 176.000 0.123 0.000 0.985 126 Q CA 2.665 58.555 55.803 0.145 0.000 0.863 126 Q CB -0.321 28.464 28.738 0.079 0.000 0.904 126 Q HN 0.411 nan 8.270 nan 0.000 0.422 127 T N 0.058 114.676 114.554 0.107 0.000 2.814 127 T HA 0.127 4.478 4.350 0.002 0.000 0.254 127 T C 0.275 175.049 174.700 0.122 0.000 1.037 127 T CA 0.804 62.959 62.100 0.091 0.000 1.143 127 T CB 0.291 69.194 68.868 0.058 0.000 0.866 127 T HN 0.144 nan 8.240 nan 0.000 0.431 128 I N 1.574 122.239 120.570 0.158 0.000 2.468 128 I HA 0.287 4.458 4.170 0.002 0.000 0.284 128 I C -0.781 175.475 176.117 0.231 0.000 1.038 128 I CA -0.776 60.629 61.300 0.174 0.000 1.083 128 I CB 1.217 39.301 38.000 0.140 0.000 1.223 128 I HN 0.291 nan 8.210 nan 0.000 0.443 129 H N 7.968 127.096 119.070 0.098 0.000 2.517 129 H HA 0.282 4.839 4.556 0.002 0.000 0.317 129 H C -1.911 173.382 175.328 -0.058 0.000 1.080 129 H CA -1.462 54.601 56.048 0.025 0.000 1.301 129 H CB 2.416 32.191 29.762 0.023 0.000 1.425 129 H HN 0.244 nan 8.280 nan 0.000 0.471 130 P HA -0.160 nan 4.420 nan 0.000 0.216 130 P C 1.021 178.282 177.300 -0.066 0.000 1.153 130 P CA 1.318 64.255 63.100 -0.271 0.000 0.858 130 P CB 0.573 31.980 31.700 -0.489 0.000 0.789 131 N N -1.001 117.727 118.700 0.047 0.000 2.182 131 N HA -0.081 4.660 4.740 0.002 0.000 0.186 131 N C 1.239 176.852 175.510 0.172 0.000 1.036 131 N CA 1.141 54.282 53.050 0.152 0.000 0.850 131 N CB -0.584 38.013 38.487 0.184 0.000 1.010 131 N HN 0.083 nan 8.380 nan 0.000 0.432 132 D N 0.994 121.559 120.400 0.275 0.000 2.144 132 D HA -0.086 4.555 4.640 0.002 0.000 0.200 132 D C 1.111 177.455 176.300 0.073 0.000 0.978 132 D CA 1.185 55.219 54.000 0.056 0.000 0.833 132 D CB -0.113 40.604 40.800 -0.138 0.000 0.961 132 D HN 0.265 nan 8.370 nan 0.000 0.470 133 D N -0.508 119.967 120.400 0.126 0.000 2.735 133 D HA 0.021 4.662 4.640 0.002 0.000 0.267 133 D C 2.351 178.710 176.300 0.098 0.000 1.081 133 D CA 0.280 54.345 54.000 0.108 0.000 0.980 133 D CB -0.216 40.662 40.800 0.130 0.000 1.129 133 D HN -0.022 nan 8.370 nan 0.000 0.459 134 V N 1.381 121.350 119.914 0.092 0.000 2.407 134 V HA -0.164 3.957 4.120 0.002 0.000 0.248 134 V C 1.615 177.756 176.094 0.080 0.000 1.055 134 V CA 1.425 63.776 62.300 0.085 0.000 1.049 134 V CB -0.543 31.321 31.823 0.069 0.000 0.662 134 V HN 0.085 nan 8.190 nan 0.000 0.455 135 N N -0.575 118.164 118.700 0.065 0.000 2.268 135 N HA 0.147 4.888 4.740 0.002 0.000 0.204 135 N C 0.508 176.031 175.510 0.023 0.000 1.124 135 N CA -0.093 52.988 53.050 0.052 0.000 0.838 135 N CB -0.155 38.359 38.487 0.045 0.000 0.994 135 N HN 0.454 nan 8.380 nan 0.000 0.489 136 M N 0.462 120.075 119.600 0.021 0.000 2.261 136 M HA -0.093 4.388 4.480 0.002 0.000 0.350 136 M C 0.220 176.438 176.300 -0.137 0.000 1.343 136 M CA 0.850 56.132 55.300 -0.031 0.000 1.003 136 M CB 0.178 32.778 32.600 0.000 0.000 1.848 136 M HN 0.318 nan 8.290 nan 0.000 0.456 137 S N 0.921 116.492 115.700 -0.216 0.000 3.011 137 S HA -0.230 4.241 4.470 0.002 0.000 0.278 137 S C -0.308 174.089 174.600 -0.338 0.000 1.300 137 S CA 1.426 59.363 58.200 -0.438 0.000 1.248 137 S CB -1.556 61.017 63.200 -1.045 0.000 1.517 137 S HN 0.905 nan 8.310 nan 0.000 0.685 138 Q N 0.599 120.322 119.800 -0.129 0.000 2.301 138 Q HA 0.705 5.046 4.340 0.002 0.000 0.267 138 Q C -0.189 175.818 176.000 0.013 0.000 1.035 138 Q CA -0.252 55.545 55.803 -0.009 0.000 0.856 138 Q CB 2.055 30.826 28.738 0.054 0.000 1.337 138 Q HN 0.433 nan 8.270 nan 0.000 0.450 139 S N -0.637 115.090 115.700 0.045 0.000 2.569 139 S HA 0.334 4.805 4.470 0.002 0.000 0.280 139 S C 0.494 175.134 174.600 0.067 0.000 1.111 139 S CA -0.608 57.619 58.200 0.045 0.000 0.887 139 S CB 1.662 64.882 63.200 0.034 0.000 1.095 139 S HN 0.557 nan 8.310 nan 0.000 0.476 140 T N 2.582 117.171 114.554 0.058 0.000 2.653 140 T HA -0.153 4.198 4.350 0.002 0.000 0.268 140 T C 1.379 176.140 174.700 0.103 0.000 1.035 140 T CA 2.198 64.342 62.100 0.073 0.000 1.154 140 T CB -0.730 68.150 68.868 0.019 0.000 0.862 140 T HN 0.703 nan 8.240 nan 0.000 0.441 141 N N 1.354 120.099 118.700 0.075 0.000 2.573 141 N HA -0.043 4.698 4.740 0.002 0.000 0.187 141 N C 1.378 176.946 175.510 0.096 0.000 1.107 141 N CA 1.284 54.384 53.050 0.084 0.000 0.918 141 N CB -0.191 38.331 38.487 0.059 0.000 0.966 141 N HN 0.797 nan 8.380 nan 0.000 0.448 142 D N -1.863 118.594 120.400 0.097 0.000 2.716 142 D HA 0.031 4.672 4.640 0.002 0.000 0.273 142 D C 1.666 178.027 176.300 0.101 0.000 1.024 142 D CA -0.116 53.941 54.000 0.094 0.000 0.944 142 D CB -0.256 40.600 40.800 0.093 0.000 1.186 142 D HN -0.174 nan 8.370 nan 0.000 0.485 143 V N 0.194 120.177 119.914 0.116 0.000 2.255 143 V HA -0.247 3.874 4.120 0.002 0.000 0.247 143 V C 2.233 178.394 176.094 0.111 0.000 1.051 143 V CA 1.833 64.201 62.300 0.113 0.000 1.018 143 V CB -0.774 31.123 31.823 0.123 0.000 0.641 143 V HN 0.282 nan 8.190 nan 0.000 0.445 144 Y N 1.745 122.062 120.300 0.028 0.000 2.163 144 Y HA -0.090 4.461 4.550 0.001 0.000 0.288 144 Y C -0.088 175.822 175.900 0.016 0.000 1.136 144 Y CA 1.861 59.968 58.100 0.012 0.000 1.147 144 Y CB -1.407 37.056 38.460 0.004 0.000 0.987 144 Y HN 0.339 nan 8.280 nan 0.000 0.509 145 P HA -0.096 nan 4.420 nan 0.000 0.221 145 P C 1.532 178.823 177.300 -0.015 0.000 1.150 145 P CA 2.147 65.276 63.100 0.047 0.000 0.800 145 P CB -0.082 31.704 31.700 0.143 0.000 0.787 146 T N -0.372 114.175 114.554 -0.011 0.000 2.708 146 T HA -0.123 4.228 4.350 0.002 0.000 0.266 146 T C 1.914 176.562 174.700 -0.086 0.000 1.037 146 T CA 1.753 63.837 62.100 -0.027 0.000 1.146 146 T CB -0.888 67.981 68.868 0.002 0.000 0.865 146 T HN 0.047 nan 8.240 nan 0.000 0.435 147 A N 0.767 123.506 122.820 -0.134 0.000 1.930 147 A HA 0.008 4.329 4.320 0.002 0.000 0.217 147 A C 2.560 179.976 177.584 -0.280 0.000 1.175 147 A CA 1.008 52.933 52.037 -0.186 0.000 0.627 147 A CB -0.919 17.975 19.000 -0.177 0.000 0.815 147 A HN 0.339 nan 8.150 nan 0.000 0.443 148 V N 0.056 119.733 119.914 -0.397 0.000 2.255 148 V HA -0.314 3.806 4.120 0.002 0.000 0.247 148 V C 2.671 178.590 176.094 -0.290 0.000 1.051 148 V CA 2.464 64.523 62.300 -0.402 0.000 1.018 148 V CB -0.772 30.792 31.823 -0.431 0.000 0.641 148 V HN 0.556 nan 8.190 nan 0.000 0.445 149 R N -0.763 119.632 120.500 -0.175 0.000 2.091 149 R HA -0.168 4.173 4.340 0.002 0.000 0.238 149 R C 2.188 178.350 176.300 -0.230 0.000 1.136 149 R CA 1.552 57.524 56.100 -0.213 0.000 0.959 149 R CB -0.556 29.725 30.300 -0.032 0.000 0.856 149 R HN 0.375 nan 8.270 nan 0.000 0.437 150 L N 0.635 121.764 121.223 -0.157 0.000 2.056 150 L HA -0.059 4.282 4.340 0.002 0.000 0.207 150 L C 2.187 178.961 176.870 -0.160 0.000 1.078 150 L CA 1.927 56.692 54.840 -0.126 0.000 0.749 150 L CB -0.794 41.208 42.059 -0.095 0.000 0.901 150 L HN 0.141 nan 8.230 nan 0.000 0.433 151 A N -0.324 122.376 122.820 -0.200 0.000 1.883 151 A HA -0.213 4.108 4.320 0.002 0.000 0.217 151 A C 2.278 179.723 177.584 -0.232 0.000 1.186 151 A CA 2.152 54.067 52.037 -0.203 0.000 0.624 151 A CB -0.975 17.892 19.000 -0.222 0.000 0.822 151 A HN 0.509 nan 8.150 nan 0.000 0.444 152 L N -0.906 120.109 121.223 -0.347 0.000 2.042 152 L HA -0.216 4.125 4.340 0.002 0.000 0.210 152 L C 2.615 179.303 176.870 -0.302 0.000 1.076 152 L CA 1.301 55.862 54.840 -0.464 0.000 0.749 152 L CB -0.667 40.811 42.059 -0.968 0.000 0.893 152 L HN 0.379 nan 8.230 nan 0.000 0.432 153 L N -0.519 120.584 121.223 -0.200 0.000 2.083 153 L HA -0.217 4.124 4.340 0.002 0.000 0.209 153 L C 2.342 179.178 176.870 -0.057 0.000 1.083 153 L CA 1.117 55.921 54.840 -0.060 0.000 0.752 153 L CB -0.326 41.724 42.059 -0.016 0.000 0.899 153 L HN 0.268 nan 8.230 nan 0.000 0.433 154 L N -1.501 119.673 121.223 -0.082 0.000 2.552 154 L HA -0.036 4.305 4.340 0.002 0.000 0.227 154 L C 1.957 178.793 176.870 -0.057 0.000 1.146 154 L CA 0.278 55.081 54.840 -0.062 0.000 0.858 154 L CB -0.166 41.850 42.059 -0.071 0.000 0.969 154 L HN 0.125 nan 8.230 nan 0.000 0.451 155 S N -1.267 114.392 115.700 -0.069 0.000 2.556 155 S HA 0.006 4.477 4.470 0.002 0.000 0.216 155 S C 1.720 176.317 174.600 -0.004 0.000 0.970 155 S CA -0.126 58.044 58.200 -0.050 0.000 0.912 155 S CB 0.211 63.366 63.200 -0.075 0.000 0.790 155 S HN 0.319 nan 8.310 nan 0.000 0.504 156 Q N 2.187 121.994 119.800 0.012 0.000 2.050 156 Q HA -0.125 4.216 4.340 0.002 0.000 0.202 156 Q C 2.469 178.489 176.000 0.032 0.000 0.980 156 Q CA 1.983 57.825 55.803 0.065 0.000 0.840 156 Q CB -1.518 27.263 28.738 0.071 0.000 0.898 156 Q HN 0.789 nan 8.270 nan 0.000 0.424 157 N N 1.858 120.563 118.700 0.008 0.000 2.091 157 N HA -0.272 4.469 4.740 0.002 0.000 0.193 157 N C 1.733 177.229 175.510 -0.024 0.000 1.021 157 N CA 2.094 55.140 53.050 -0.007 0.000 0.862 157 N CB -0.848 37.636 38.487 -0.004 0.000 1.018 157 N HN 0.603 nan 8.380 nan 0.000 0.429 158 Q N 0.141 119.930 119.800 -0.018 0.000 2.061 158 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 158 Q C 2.099 178.077 176.000 -0.036 0.000 0.984 158 Q CA 2.380 58.168 55.803 -0.026 0.000 0.846 158 Q CB -0.507 28.217 28.738 -0.024 0.000 0.902 158 Q HN 0.512 nan 8.270 nan 0.000 0.421 159 V N 1.660 121.561 119.914 -0.022 0.000 2.307 159 V HA -0.232 3.889 4.120 0.002 0.000 0.245 159 V C 2.681 178.717 176.094 -0.097 0.000 1.045 159 V CA 1.871 64.151 62.300 -0.033 0.000 1.024 159 V CB -0.714 31.119 31.823 0.017 0.000 0.651 159 V HN 0.362 nan 8.190 nan 0.000 0.449 160 Q N 0.240 119.964 119.800 -0.126 0.000 2.077 160 Q HA -0.204 4.137 4.340 0.002 0.000 0.206 160 Q C 2.396 178.105 176.000 -0.485 0.000 0.989 160 Q CA 2.457 58.066 55.803 -0.324 0.000 0.853 160 Q CB -0.973 27.628 28.738 -0.228 0.000 0.907 160 Q HN 0.675 nan 8.270 nan 0.000 0.418 161 T N 1.434 115.858 114.554 -0.217 0.000 2.746 161 T HA -0.125 4.226 4.350 0.002 0.000 0.267 161 T C 1.907 176.560 174.700 -0.078 0.000 1.039 161 T CA 1.520 63.557 62.100 -0.105 0.000 1.142 161 T CB -0.333 68.518 68.868 -0.028 0.000 0.866 161 T HN 0.431 nan 8.240 nan 0.000 0.444 162 A N 1.440 124.212 122.820 -0.080 0.000 1.883 162 A HA -0.042 4.279 4.320 0.002 0.000 0.217 162 A C 2.255 179.814 177.584 -0.043 0.000 1.186 162 A CA 1.352 53.358 52.037 -0.051 0.000 0.624 162 A CB -0.928 18.043 19.000 -0.048 0.000 0.822 162 A HN 0.376 nan 8.150 nan 0.000 0.444 163 L N -0.250 120.928 121.223 -0.076 0.000 2.042 163 L HA -0.187 4.154 4.340 0.002 0.000 0.210 163 L C 2.268 179.182 176.870 0.072 0.000 1.076 163 L CA 2.386 57.209 54.840 -0.028 0.000 0.749 163 L CB -1.026 40.990 42.059 -0.072 0.000 0.893 163 L HN 0.613 nan 8.230 nan 0.000 0.432 164 H N -1.921 117.160 119.070 0.019 0.000 2.389 164 H HA -0.150 4.407 4.556 0.001 0.000 0.299 164 H C 2.279 177.611 175.328 0.007 0.000 1.081 164 H CA 0.892 56.952 56.048 0.020 0.000 1.345 164 H CB 0.172 29.943 29.762 0.015 0.000 1.393 164 H HN 0.189 nan 8.280 nan 0.000 0.520 165 R N 1.057 121.622 120.500 0.108 0.000 2.091 165 R HA -0.137 4.204 4.340 0.002 0.000 0.238 165 R C 2.134 178.425 176.300 -0.014 0.000 1.136 165 R CA 1.076 57.196 56.100 0.032 0.000 0.959 165 R CB -0.498 29.803 30.300 0.002 0.000 0.856 165 R HN 0.244 nan 8.270 nan 0.000 0.437 166 L N 0.164 121.373 121.223 -0.024 0.000 2.044 166 L HA 0.050 4.391 4.340 0.002 0.000 0.205 166 L C 1.999 178.832 176.870 -0.062 0.000 1.075 166 L CA 1.582 56.351 54.840 -0.120 0.000 0.747 166 L CB -0.418 41.593 42.059 -0.080 0.000 0.903 166 L HN 0.293 nan 8.230 nan 0.000 0.435 167 I N -0.235 120.408 120.570 0.122 0.000 2.118 167 I HA -0.367 3.804 4.170 0.002 0.000 0.241 167 I C 2.631 178.844 176.117 0.159 0.000 1.070 167 I CA 1.425 62.858 61.300 0.223 0.000 1.327 167 I CB -0.758 37.357 38.000 0.192 0.000 1.034 167 I HN 0.365 nan 8.210 nan 0.000 0.405 168 A N 0.765 123.635 122.820 0.083 0.000 1.892 168 A HA -0.277 4.044 4.320 0.002 0.000 0.218 168 A C 2.549 180.149 177.584 0.026 0.000 1.188 168 A CA 2.344 54.408 52.037 0.045 0.000 0.631 168 A CB -1.060 17.953 19.000 0.021 0.000 0.822 168 A HN 0.478 nan 8.150 nan 0.000 0.447 169 A N -1.238 121.562 122.820 -0.034 0.000 1.883 169 A HA -0.027 4.294 4.320 0.002 0.000 0.217 169 A C 1.951 179.543 177.584 0.014 0.000 1.186 169 A CA 1.758 53.743 52.037 -0.086 0.000 0.624 169 A CB -0.757 18.111 19.000 -0.220 0.000 0.822 169 A HN 0.460 nan 8.150 nan 0.000 0.444 170 F N 0.174 120.221 119.950 0.161 0.000 2.146 170 F HA -0.069 4.459 4.527 0.002 0.000 0.298 170 F C 2.409 178.312 175.800 0.171 0.000 1.096 170 F CA 1.301 59.465 58.000 0.274 0.000 1.275 170 F CB -0.803 38.388 39.000 0.319 0.000 1.008 170 F HN 0.332 nan 8.300 nan 0.000 0.480 171 E N 0.057 120.430 120.200 0.287 0.000 2.058 171 E HA -0.239 4.112 4.350 0.002 0.000 0.194 171 E C 2.439 179.076 176.600 0.061 0.000 0.997 171 E CA 1.193 57.681 56.400 0.146 0.000 0.801 171 E CB -0.391 29.367 29.700 0.097 0.000 0.746 171 E HN 0.338 nan 8.360 nan 0.000 0.450 172 A N 1.665 124.498 122.820 0.022 0.000 1.883 172 A HA -0.226 4.095 4.320 0.002 0.000 0.217 172 A C 1.998 179.488 177.584 -0.158 0.000 1.186 172 A CA 1.453 53.453 52.037 -0.063 0.000 0.624 172 A CB -0.273 18.683 19.000 -0.073 0.000 0.822 172 A HN -0.007 nan 8.150 nan 0.000 0.444 173 K N -0.591 119.712 120.400 -0.162 0.000 2.148 173 K HA -0.066 4.255 4.320 0.002 0.000 0.204 173 K C 2.104 178.496 176.600 -0.346 0.000 1.050 173 K CA 1.066 57.076 56.287 -0.462 0.000 0.942 173 K CB -0.928 31.265 32.500 -0.512 0.000 0.724 173 K HN 0.488 nan 8.250 nan 0.000 0.446 174 G N 1.655 110.446 108.800 -0.015 0.000 2.440 174 G HA2 -0.279 3.682 3.960 0.002 0.000 0.218 174 G HA3 -0.279 3.682 3.960 0.002 0.000 0.218 174 G C 1.692 176.585 174.900 -0.013 0.000 1.154 174 G CA 0.570 45.709 45.100 0.064 0.000 0.767 174 G HN 0.293 nan 8.290 nan 0.000 0.552 175 R N 0.110 120.572 120.500 -0.063 0.000 2.062 175 R HA 0.029 4.370 4.340 0.002 0.000 0.229 175 R C 2.499 178.729 176.300 -0.116 0.000 1.128 175 R CA 1.219 57.279 56.100 -0.068 0.000 0.960 175 R CB -0.419 29.844 30.300 -0.063 0.000 0.855 175 R HN 0.536 nan 8.270 nan 0.000 0.432 176 E N 0.376 120.421 120.200 -0.259 0.000 2.118 176 E HA -0.178 4.173 4.350 0.002 0.000 0.195 176 E C 0.570 177.049 176.600 -0.202 0.000 0.992 176 E CA 1.108 57.303 56.400 -0.341 0.000 0.804 176 E CB 0.094 29.427 29.700 -0.612 0.000 0.741 176 E HN 0.220 nan 8.360 nan 0.000 0.458 177 F N -0.106 119.800 119.950 -0.073 0.000 2.660 177 F HA 0.408 4.936 4.527 0.002 0.000 0.302 177 F C 1.765 177.551 175.800 -0.023 0.000 1.103 177 F CA -0.047 57.917 58.000 -0.060 0.000 1.340 177 F CB -0.328 38.612 39.000 -0.099 0.000 1.048 177 F HN 0.053 nan 8.300 nan 0.000 0.551 178 A N 0.186 123.075 122.820 0.114 0.000 2.042 178 A HA -0.228 4.093 4.320 0.002 0.000 0.222 178 A C 2.072 179.695 177.584 0.065 0.000 1.167 178 A CA 2.380 54.459 52.037 0.070 0.000 0.649 178 A CB -1.108 17.910 19.000 0.028 0.000 0.809 178 A HN 0.361 nan 8.150 nan 0.000 0.457 179 T N -3.523 111.075 114.554 0.072 0.000 3.174 179 T HA 0.423 4.774 4.350 0.002 0.000 0.269 179 T C -0.036 174.694 174.700 0.050 0.000 1.017 179 T CA -0.047 62.083 62.100 0.050 0.000 0.899 179 T CB -0.040 68.850 68.868 0.037 0.000 1.077 179 T HN -0.025 nan 8.240 nan 0.000 0.552 180 V N 2.876 122.832 119.914 0.070 0.000 2.338 180 V HA 0.358 4.479 4.120 0.002 0.000 0.255 180 V C 0.357 176.459 176.094 0.014 0.000 1.082 180 V CA -1.030 61.289 62.300 0.031 0.000 0.951 180 V CB -0.408 31.410 31.823 -0.007 0.000 1.102 180 V HN 0.479 nan 8.190 nan 0.000 0.489 181 I N 6.669 127.243 120.570 0.006 0.000 2.588 181 I HA 0.371 4.542 4.170 0.002 0.000 0.283 181 I C 0.315 176.428 176.117 -0.007 0.000 1.119 181 I CA 0.451 61.752 61.300 0.002 0.000 1.419 181 I CB 0.320 38.321 38.000 0.002 0.000 1.394 181 I HN 0.825 nan 8.210 nan 0.000 0.562 182 K N 5.449 125.846 120.400 -0.006 0.000 2.507 182 K HA 0.557 4.878 4.320 0.002 0.000 0.284 182 K C -1.428 175.168 176.600 -0.007 0.000 1.038 182 K CA -1.022 55.260 56.287 -0.009 0.000 0.903 182 K CB 0.823 33.316 32.500 -0.011 0.000 1.531 182 K HN 0.297 nan 8.250 nan 0.000 0.430 183 I N 1.618 122.183 120.570 -0.007 0.000 2.365 183 I HA 0.350 4.521 4.170 0.002 0.000 0.291 183 I C 0.222 176.335 176.117 -0.006 0.000 1.004 183 I CA 0.109 61.405 61.300 -0.006 0.000 1.311 183 I CB 1.053 39.050 38.000 -0.006 0.000 1.401 183 I HN 0.737 nan 8.210 nan 0.000 0.491 184 G N 7.041 115.836 108.800 -0.008 0.000 2.527 184 G HA2 0.437 4.397 3.960 0.002 0.000 0.248 184 G HA3 0.437 4.397 3.960 0.002 0.000 0.248 184 G C -0.472 174.425 174.900 -0.006 0.000 1.231 184 G CA -0.587 44.507 45.100 -0.010 0.000 0.838 184 G HN 0.650 nan 8.290 nan 0.000 0.570 185 R N -0.062 120.435 120.500 -0.005 0.000 2.532 185 R HA 0.500 4.841 4.340 0.002 0.000 0.297 185 R C -0.744 175.555 176.300 -0.002 0.000 0.984 185 R CA -0.624 55.475 56.100 -0.002 0.000 0.884 185 R CB 2.145 32.446 30.300 0.001 0.000 1.182 185 R HN 0.693 nan 8.270 nan 0.000 0.442 186 T N -0.288 114.266 114.554 -0.001 0.000 2.812 186 T HA 0.238 4.589 4.350 0.002 0.000 0.282 186 T C 0.164 174.865 174.700 0.002 0.000 0.990 186 T CA -0.809 61.291 62.100 0.000 0.000 0.960 186 T CB 1.644 70.512 68.868 -0.001 0.000 0.948 186 T HN 0.732 nan 8.240 nan 0.000 0.438 187 Q N 1.653 121.455 119.800 0.003 0.000 2.481 187 Q HA -0.192 4.149 4.340 0.002 0.000 0.258 187 Q C 0.592 176.594 176.000 0.004 0.000 0.961 187 Q CA 0.721 56.526 55.803 0.003 0.000 1.121 187 Q CB -1.864 26.876 28.738 0.003 0.000 1.503 187 Q HN 0.929 nan 8.270 nan 0.000 0.544 188 L N -3.132 118.094 121.223 0.004 0.000 5.081 188 L HA -0.291 4.050 4.340 0.002 0.000 0.423 188 L C 0.116 176.988 176.870 0.003 0.000 1.019 188 L CA 1.035 55.877 54.840 0.004 0.000 1.223 188 L CB -1.286 40.776 42.059 0.005 0.000 1.940 188 L HN 0.333 nan 8.230 nan 0.000 0.675 189 Q N 1.054 120.856 119.800 0.003 0.000 2.230 189 Q HA 0.313 4.654 4.340 0.002 0.000 0.253 189 Q C -0.142 175.858 176.000 0.001 0.000 0.919 189 Q CA -0.547 55.257 55.803 0.002 0.000 0.908 189 Q CB 1.225 29.964 28.738 0.002 0.000 1.245 189 Q HN 0.020 nan 8.270 nan 0.000 0.437 190 D N 1.344 121.744 120.400 -0.000 0.000 2.586 190 D HA 0.086 4.727 4.640 0.002 0.000 0.234 190 D C 0.112 176.411 176.300 -0.002 0.000 1.132 190 D CA 0.461 54.460 54.000 -0.002 0.000 0.860 190 D CB 0.686 41.484 40.800 -0.003 0.000 1.159 190 D HN 0.594 nan 8.370 nan 0.000 0.490 191 A N 2.579 125.397 122.820 -0.003 0.000 3.324 191 A HA 0.635 4.956 4.320 0.002 0.000 0.196 191 A C 0.043 177.625 177.584 -0.004 0.000 1.506 191 A CA 0.017 52.052 52.037 -0.003 0.000 1.687 191 A CB 0.025 19.023 19.000 -0.003 0.000 1.570 191 A HN 0.480 nan 8.150 nan 0.000 0.533 192 V N -2.234 117.677 119.914 -0.005 0.000 2.732 192 V HA 0.677 4.798 4.120 0.002 0.000 0.310 192 V C -3.076 173.014 176.094 -0.007 0.000 1.053 192 V CA -2.523 59.773 62.300 -0.005 0.000 0.957 192 V CB 0.981 32.801 31.823 -0.004 0.000 1.018 192 V HN 0.466 nan 8.190 nan 0.000 0.452 193 P HA 0.422 nan 4.420 nan 0.000 0.269 193 P C -0.386 176.910 177.300 -0.007 0.000 1.209 193 P CA 0.195 63.291 63.100 -0.006 0.000 0.776 193 P CB 0.356 32.053 31.700 -0.005 0.000 0.876 194 I N -2.219 118.347 120.570 -0.007 0.000 3.467 194 I HA 0.696 4.867 4.170 0.002 0.000 0.314 194 I C -0.512 175.605 176.117 0.000 0.000 1.177 194 I CA -1.124 60.171 61.300 -0.008 0.000 0.943 194 I CB 2.119 40.109 38.000 -0.018 0.000 1.338 194 I HN 0.245 nan 8.210 nan 0.000 0.482 195 T N -0.496 114.062 114.554 0.006 0.000 2.929 195 T HA 0.397 4.748 4.350 0.002 0.000 0.284 195 T C 0.562 175.288 174.700 0.044 0.000 1.014 195 T CA -0.682 61.433 62.100 0.026 0.000 1.051 195 T CB 1.945 70.837 68.868 0.040 0.000 1.028 195 T HN 0.712 nan 8.240 nan 0.000 0.485 196 L N 2.902 124.166 121.223 0.068 0.000 2.083 196 L HA 0.187 4.528 4.340 0.002 0.000 0.209 196 L C 2.481 179.514 176.870 0.271 0.000 1.083 196 L CA 2.431 57.352 54.840 0.134 0.000 0.752 196 L CB -1.195 40.885 42.059 0.036 0.000 0.899 196 L HN 0.993 nan 8.230 nan 0.000 0.433 197 G N -1.421 107.518 108.800 0.232 0.000 2.440 197 G HA2 -0.317 3.644 3.960 0.002 0.000 0.218 197 G HA3 -0.317 3.644 3.960 0.002 0.000 0.218 197 G C 1.496 176.473 174.900 0.129 0.000 1.154 197 G CA 0.845 46.075 45.100 0.216 0.000 0.767 197 G HN 0.513 nan 8.290 nan 0.000 0.552 198 Q N -0.356 119.476 119.800 0.052 0.000 2.124 198 Q HA -0.074 4.267 4.340 0.002 0.000 0.202 198 Q C 2.435 178.359 176.000 -0.128 0.000 0.977 198 Q CA 1.335 57.123 55.803 -0.026 0.000 0.850 198 Q CB -0.119 28.600 28.738 -0.032 0.000 0.901 198 Q HN 0.655 nan 8.270 nan 0.000 0.429 199 E N -0.330 119.780 120.200 -0.149 0.000 2.085 199 E HA -0.195 4.156 4.350 0.002 0.000 0.194 199 E C 1.437 177.479 176.600 -0.929 0.000 0.994 199 E CA 1.081 57.208 56.400 -0.454 0.000 0.801 199 E CB 0.024 29.539 29.700 -0.307 0.000 0.743 199 E HN 0.275 nan 8.360 nan 0.000 0.453 200 F N 0.614 120.261 119.950 -0.504 0.000 2.206 200 F HA -0.076 4.452 4.527 0.002 0.000 0.298 200 F C 2.412 178.046 175.800 -0.277 0.000 1.090 200 F CA 1.133 58.892 58.000 -0.402 0.000 1.323 200 F CB -0.254 38.808 39.000 0.102 0.000 1.028 200 F HN 0.031 nan 8.300 nan 0.000 0.492 201 E N 0.957 121.150 120.200 -0.010 0.000 2.085 201 E HA -0.205 4.146 4.350 0.002 0.000 0.194 201 E C 2.177 178.727 176.600 -0.083 0.000 0.994 201 E CA 1.520 57.918 56.400 -0.004 0.000 0.801 201 E CB -0.543 29.157 29.700 0.000 0.000 0.743 201 E HN 0.232 nan 8.360 nan 0.000 0.453 202 A N -0.132 122.560 122.820 -0.212 0.000 1.908 202 A HA -0.149 4.172 4.320 0.002 0.000 0.218 202 A C 2.042 179.533 177.584 -0.155 0.000 1.181 202 A CA 1.590 53.506 52.037 -0.202 0.000 0.627 202 A CB -0.947 17.892 19.000 -0.268 0.000 0.818 202 A HN 0.333 nan 8.150 nan 0.000 0.445 203 F N 0.336 120.090 119.950 -0.327 0.000 2.095 203 F HA -0.147 4.381 4.527 0.001 0.000 0.298 203 F C 2.864 178.487 175.800 -0.295 0.000 1.104 203 F CA 0.452 58.117 58.000 -0.557 0.000 1.232 203 F CB -1.407 36.724 39.000 -1.449 0.000 0.987 203 F HN 0.274 nan 8.300 nan 0.000 0.475 204 A N 0.214 123.075 122.820 0.068 0.000 1.883 204 A HA -0.112 4.209 4.320 0.002 0.000 0.217 204 A C 2.498 180.156 177.584 0.124 0.000 1.186 204 A CA 2.371 54.540 52.037 0.220 0.000 0.624 204 A CB -1.394 17.746 19.000 0.233 0.000 0.822 204 A HN 0.329 nan 8.150 nan 0.000 0.444 205 A N -1.773 121.083 122.820 0.059 0.000 1.902 205 A HA -0.132 4.189 4.320 0.002 0.000 0.217 205 A C 2.378 179.986 177.584 0.041 0.000 1.181 205 A CA 2.447 54.508 52.037 0.039 0.000 0.623 205 A CB -1.304 17.701 19.000 0.009 0.000 0.818 205 A HN 0.466 nan 8.150 nan 0.000 0.443 206 T N -0.522 114.054 114.554 0.036 0.000 2.867 206 T HA -0.009 4.342 4.350 0.002 0.000 0.268 206 T C 1.669 176.396 174.700 0.046 0.000 1.057 206 T CA 1.410 63.529 62.100 0.032 0.000 1.136 206 T CB -0.384 68.499 68.868 0.025 0.000 0.874 206 T HN 0.377 nan 8.240 nan 0.000 0.466 207 L N -0.187 121.082 121.223 0.076 0.000 2.270 207 L HA 0.162 4.503 4.340 0.002 0.000 0.210 207 L C 2.906 179.832 176.870 0.094 0.000 1.104 207 L CA 0.636 55.531 54.840 0.091 0.000 0.804 207 L CB -0.411 41.736 42.059 0.148 0.000 0.937 207 L HN 0.105 nan 8.230 nan 0.000 0.450 208 R N 0.503 121.061 120.500 0.096 0.000 2.105 208 R HA -0.190 4.151 4.340 0.002 0.000 0.239 208 R C 2.115 178.455 176.300 0.066 0.000 1.135 208 R CA 1.540 57.692 56.100 0.087 0.000 0.967 208 R CB -0.130 30.210 30.300 0.067 0.000 0.861 208 R HN 0.449 nan 8.270 nan 0.000 0.442 209 E N 0.056 120.284 120.200 0.047 0.000 2.118 209 E HA -0.188 4.163 4.350 0.002 0.000 0.195 209 E C 1.328 177.945 176.600 0.028 0.000 0.992 209 E CA 1.101 57.520 56.400 0.031 0.000 0.804 209 E CB -0.022 29.690 29.700 0.020 0.000 0.741 209 E HN 0.377 nan 8.360 nan 0.000 0.458 210 D N 0.050 120.467 120.400 0.029 0.000 2.269 210 D HA -0.098 4.542 4.640 0.002 0.000 0.208 210 D C 2.167 178.479 176.300 0.021 0.000 0.963 210 D CA 1.472 55.479 54.000 0.011 0.000 0.864 210 D CB -0.173 40.625 40.800 -0.003 0.000 0.936 210 D HN 0.290 nan 8.370 nan 0.000 0.505 211 T N -0.402 114.187 114.554 0.059 0.000 2.674 211 T HA -0.109 4.242 4.350 0.002 0.000 0.265 211 T C 2.184 176.932 174.700 0.080 0.000 1.039 211 T CA 1.519 63.674 62.100 0.091 0.000 1.150 211 T CB -0.390 68.609 68.868 0.217 0.000 0.864 211 T HN 0.068 nan 8.240 nan 0.000 0.427 212 A N 1.767 124.628 122.820 0.068 0.000 1.930 212 A HA 0.086 4.407 4.320 0.002 0.000 0.217 212 A C 2.465 180.069 177.584 0.033 0.000 1.175 212 A CA 1.729 53.796 52.037 0.050 0.000 0.627 212 A CB -0.736 18.286 19.000 0.037 0.000 0.815 212 A HN 0.537 nan 8.150 nan 0.000 0.443 213 R N -0.692 119.821 120.500 0.021 0.000 2.081 213 R HA -0.093 4.248 4.340 0.002 0.000 0.235 213 R C 1.868 178.176 176.300 0.013 0.000 1.131 213 R CA 1.554 57.657 56.100 0.005 0.000 0.960 213 R CB -0.676 29.618 30.300 -0.010 0.000 0.856 213 R HN 0.353 nan 8.270 nan 0.000 0.436 214 L N 1.393 122.625 121.223 0.015 0.000 2.012 214 L HA -0.181 4.160 4.340 0.002 0.000 0.210 214 L C 1.872 178.822 176.870 0.133 0.000 1.073 214 L CA 1.990 56.861 54.840 0.052 0.000 0.748 214 L CB -0.607 41.468 42.059 0.026 0.000 0.891 214 L HN 0.339 nan 8.230 nan 0.000 0.431 215 E N -0.733 119.520 120.200 0.089 0.000 2.051 215 E HA -0.264 4.087 4.350 0.002 0.000 0.192 215 E C 2.117 178.745 176.600 0.046 0.000 0.991 215 E CA 1.423 57.870 56.400 0.078 0.000 0.799 215 E CB -0.389 29.348 29.700 0.061 0.000 0.748 215 E HN 0.726 nan 8.360 nan 0.000 0.449 216 E N 1.400 121.615 120.200 0.026 0.000 2.070 216 E HA -0.183 4.168 4.350 0.002 0.000 0.197 216 E C 2.234 178.814 176.600 -0.032 0.000 1.004 216 E CA 1.863 58.260 56.400 -0.005 0.000 0.805 216 E CB -1.118 28.578 29.700 -0.007 0.000 0.744 216 E HN 0.121 nan 8.360 nan 0.000 0.451 217 V N 0.556 120.466 119.914 -0.006 0.000 2.548 217 V HA 0.026 4.147 4.120 0.002 0.000 0.249 217 V C 2.887 178.872 176.094 -0.181 0.000 1.055 217 V CA 1.470 63.738 62.300 -0.052 0.000 1.065 217 V CB -0.498 31.355 31.823 0.050 0.000 0.681 217 V HN 0.685 nan 8.190 nan 0.000 0.462 218 A N 0.297 123.108 122.820 -0.016 0.000 1.969 218 A HA -0.069 4.252 4.320 0.002 0.000 0.218 218 A C 2.438 179.931 177.584 -0.151 0.000 1.169 218 A CA 1.751 53.731 52.037 -0.096 0.000 0.635 218 A CB -0.656 18.426 19.000 0.136 0.000 0.810 218 A HN 0.548 nan 8.150 nan 0.000 0.445 219 A N 0.226 122.986 122.820 -0.100 0.000 1.948 219 A HA -0.136 4.185 4.320 0.002 0.000 0.220 219 A C 2.046 179.545 177.584 -0.141 0.000 1.177 219 A CA 1.585 53.572 52.037 -0.084 0.000 0.636 219 A CB -0.733 18.233 19.000 -0.057 0.000 0.815 219 A HN 0.533 nan 8.150 nan 0.000 0.449 220 L N -1.927 119.137 121.223 -0.266 0.000 2.189 220 L HA -0.202 4.139 4.340 0.002 0.000 0.214 220 L C 2.007 178.728 176.870 -0.249 0.000 1.097 220 L CA 0.993 55.653 54.840 -0.300 0.000 0.764 220 L CB -0.684 41.130 42.059 -0.409 0.000 0.900 220 L HN 0.347 nan 8.230 nan 0.000 0.436 221 F N 0.009 119.884 119.950 -0.125 0.000 2.604 221 F HA -0.036 4.492 4.527 0.001 0.000 0.298 221 F C 2.412 178.148 175.800 -0.106 0.000 1.131 221 F CA 0.482 58.398 58.000 -0.141 0.000 1.457 221 F CB -0.659 38.250 39.000 -0.152 0.000 1.095 221 F HN -0.043 nan 8.300 nan 0.000 0.574 222 R N 0.551 121.081 120.500 0.050 0.000 2.189 222 R HA -0.018 4.323 4.340 0.002 0.000 0.223 222 R C 1.097 177.392 176.300 -0.008 0.000 1.092 222 R CA 0.904 57.012 56.100 0.014 0.000 0.989 222 R CB -0.660 29.635 30.300 -0.008 0.000 0.876 222 R HN 0.325 nan 8.270 nan 0.000 0.457 223 E N 1.872 122.058 120.200 -0.024 0.000 2.104 223 E HA 0.330 4.681 4.350 0.002 0.000 0.278 223 E C -0.091 176.491 176.600 -0.029 0.000 1.127 223 E CA -0.263 56.114 56.400 -0.038 0.000 0.897 223 E CB 0.310 29.972 29.700 -0.064 0.000 1.043 223 E HN 0.208 nan 8.360 nan 0.000 0.410 224 V N -0.409 119.491 119.914 -0.023 0.000 2.919 224 V HA 0.692 4.813 4.120 0.002 0.000 0.316 224 V C 0.402 176.489 176.094 -0.012 0.000 1.077 224 V CA -0.543 61.749 62.300 -0.014 0.000 0.977 224 V CB 2.271 34.089 31.823 -0.009 0.000 1.039 224 V HN 0.658 nan 8.190 nan 0.000 0.441 225 N N 1.415 120.116 118.700 0.002 0.000 2.214 225 N HA 0.141 4.881 4.740 0.002 0.000 0.214 225 N C 0.116 175.644 175.510 0.030 0.000 1.132 225 N CA -0.402 52.654 53.050 0.011 0.000 0.856 225 N CB 0.053 38.549 38.487 0.015 0.000 1.020 225 N HN 0.737 nan 8.380 nan 0.000 0.509 226 L N 1.637 122.877 121.223 0.027 0.000 2.653 226 L HA 0.217 4.558 4.340 0.002 0.000 0.288 226 L C 1.290 178.197 176.870 0.062 0.000 1.243 226 L CA 1.688 56.555 54.840 0.045 0.000 0.906 226 L CB -0.426 41.642 42.059 0.015 0.000 1.154 226 L HN 0.601 nan 8.230 nan 0.000 0.498 227 G N 2.446 111.333 108.800 0.145 0.000 2.160 227 G HA2 -0.151 3.810 3.960 0.002 0.000 0.251 227 G HA3 -0.151 3.810 3.960 0.002 0.000 0.251 227 G C 0.345 175.333 174.900 0.146 0.000 1.008 227 G CA 0.263 45.501 45.100 0.230 0.000 0.724 227 G HN 1.288 nan 8.290 nan 0.000 0.514 240 A N 0.401 123.255 122.820 0.058 0.000 1.883 240 A HA -0.042 4.279 4.320 0.002 0.000 0.217 240 A C 2.088 179.702 177.584 0.050 0.000 1.186 240 A CA 2.286 54.348 52.037 0.042 0.000 0.624 240 A CB -1.067 17.959 19.000 0.042 0.000 0.822 240 A HN 1.038 nan 8.150 nan 0.000 0.444 241 Y N 0.648 120.948 120.300 0.001 0.000 2.128 241 Y HA -0.120 4.431 4.550 0.001 0.000 0.284 241 Y C 2.641 178.548 175.900 0.011 0.000 1.154 241 Y CA 1.497 59.601 58.100 0.007 0.000 1.149 241 Y CB -0.628 37.839 38.460 0.013 0.000 0.976 241 Y HN 0.315 nan 8.280 nan 0.000 0.505 242 A N 0.560 123.341 122.820 -0.064 0.000 1.865 242 A HA -0.244 4.077 4.320 0.002 0.000 0.217 242 A C 2.194 179.668 177.584 -0.183 0.000 1.191 242 A CA 2.877 54.836 52.037 -0.131 0.000 0.623 242 A CB -1.638 17.381 19.000 0.031 0.000 0.826 242 A HN 0.622 nan 8.150 nan 0.000 0.444 243 E N -0.943 119.192 120.200 -0.109 0.000 2.110 243 E HA -0.242 4.109 4.350 0.002 0.000 0.193 243 E C 1.963 178.492 176.600 -0.119 0.000 0.988 243 E CA 1.818 58.164 56.400 -0.089 0.000 0.804 243 E CB -0.675 28.996 29.700 -0.049 0.000 0.745 243 E HN 0.712 nan 8.360 nan 0.000 0.458 244 Q N -0.325 119.382 119.800 -0.156 0.000 2.079 244 Q HA 0.125 4.466 4.340 0.002 0.000 0.200 244 Q C 2.332 178.213 176.000 -0.199 0.000 0.974 244 Q CA 1.941 57.654 55.803 -0.149 0.000 0.840 244 Q CB -0.457 28.207 28.738 -0.124 0.000 0.898 244 Q HN 0.552 nan 8.270 nan 0.000 0.430 245 A N 0.200 122.791 122.820 -0.381 0.000 1.883 245 A HA -0.173 4.148 4.320 0.002 0.000 0.217 245 A C 2.109 179.593 177.584 -0.168 0.000 1.186 245 A CA 1.593 53.421 52.037 -0.349 0.000 0.624 245 A CB -0.797 17.828 19.000 -0.626 0.000 0.822 245 A HN 0.469 nan 8.150 nan 0.000 0.444 246 I N -0.354 120.128 120.570 -0.147 0.000 2.226 246 I HA -0.239 3.932 4.170 0.002 0.000 0.245 246 I C 2.834 178.915 176.117 -0.059 0.000 1.100 246 I CA 1.249 62.500 61.300 -0.081 0.000 1.374 246 I CB -0.514 37.446 38.000 -0.066 0.000 1.057 246 I HN 0.301 nan 8.210 nan 0.000 0.413 247 V N 0.696 120.573 119.914 -0.062 0.000 2.255 247 V HA -0.306 3.815 4.120 0.002 0.000 0.247 247 V C 2.517 178.594 176.094 -0.028 0.000 1.051 247 V CA 2.378 64.654 62.300 -0.040 0.000 1.018 247 V CB -0.611 31.189 31.823 -0.038 0.000 0.641 247 V HN 0.233 nan 8.190 nan 0.000 0.445 248 E N 0.034 120.215 120.200 -0.030 0.000 2.070 248 E HA -0.236 4.115 4.350 0.002 0.000 0.197 248 E C 2.151 178.749 176.600 -0.004 0.000 1.004 248 E CA 1.584 57.982 56.400 -0.004 0.000 0.805 248 E CB -0.502 29.205 29.700 0.012 0.000 0.744 248 E HN 0.665 nan 8.360 nan 0.000 0.451 249 L N 1.174 122.386 121.223 -0.018 0.000 2.131 249 L HA -0.105 4.236 4.340 0.002 0.000 0.210 249 L C 2.131 178.992 176.870 -0.015 0.000 1.092 249 L CA 1.526 56.357 54.840 -0.014 0.000 0.759 249 L CB -0.441 41.605 42.059 -0.021 0.000 0.903 249 L HN -0.074 nan 8.230 nan 0.000 0.435 250 S N -0.900 114.789 115.700 -0.018 0.000 2.368 250 S HA -0.215 4.256 4.470 0.002 0.000 0.224 250 S C 2.167 176.761 174.600 -0.009 0.000 1.029 250 S CA 1.331 59.522 58.200 -0.015 0.000 0.988 250 S CB -0.522 62.667 63.200 -0.017 0.000 0.838 250 S HN 0.718 nan 8.310 nan 0.000 0.462 251 Q N 0.949 120.746 119.800 -0.005 0.000 2.119 251 Q HA 0.048 4.389 4.340 0.002 0.000 0.201 251 Q C 2.017 178.018 176.000 0.001 0.000 0.972 251 Q CA 1.620 57.423 55.803 0.001 0.000 0.847 251 Q CB -1.025 27.718 28.738 0.007 0.000 0.903 251 Q HN 0.699 nan 8.270 nan 0.000 0.433 252 I N 1.196 121.767 120.570 0.001 0.000 2.252 252 I HA -0.187 3.983 4.170 0.002 0.000 0.245 252 I C 2.676 178.788 176.117 -0.008 0.000 1.102 252 I CA 1.698 62.998 61.300 0.000 0.000 1.385 252 I CB 0.079 38.081 38.000 0.004 0.000 1.064 252 I HN 0.530 nan 8.210 nan 0.000 0.414 253 S N -0.084 115.609 115.700 -0.012 0.000 2.503 253 S HA 0.179 4.650 4.470 0.002 0.000 0.217 253 S C 1.780 176.371 174.600 -0.015 0.000 0.999 253 S CA 0.375 58.565 58.200 -0.018 0.000 0.914 253 S CB 0.300 63.486 63.200 -0.024 0.000 0.782 253 S HN 0.555 nan 8.310 nan 0.000 0.520 254 G N 1.061 109.855 108.800 -0.010 0.000 2.155 254 G HA2 -0.246 3.715 3.960 0.002 0.000 0.257 254 G HA3 -0.246 3.715 3.960 0.002 0.000 0.257 254 G C -0.052 174.844 174.900 -0.007 0.000 0.983 254 G CA 0.610 45.706 45.100 -0.008 0.000 0.676 254 G HN 0.616 nan 8.290 nan 0.000 0.528 255 I N -0.312 120.252 120.570 -0.010 0.000 2.530 255 I HA 0.436 4.607 4.170 0.002 0.000 0.297 255 I C 0.051 176.163 176.117 -0.009 0.000 1.011 255 I CA -1.109 60.187 61.300 -0.008 0.000 1.107 255 I CB 1.901 39.896 38.000 -0.008 0.000 1.285 255 I HN -0.023 nan 8.210 nan 0.000 0.436 256 E N 5.897 126.092 120.200 -0.008 0.000 2.070 256 E HA 0.368 4.719 4.350 0.002 0.000 0.282 256 E C -1.226 175.366 176.600 -0.013 0.000 1.104 256 E CA 0.016 56.410 56.400 -0.011 0.000 0.876 256 E CB 0.322 30.015 29.700 -0.011 0.000 1.055 256 E HN 0.346 nan 8.360 nan 0.000 0.401 257 L N 2.929 124.142 121.223 -0.016 0.000 2.334 257 L HA 0.699 5.040 4.340 0.002 0.000 0.275 257 L C 0.382 177.239 176.870 -0.022 0.000 1.036 257 L CA -0.800 54.029 54.840 -0.018 0.000 0.807 257 L CB 1.332 43.380 42.059 -0.019 0.000 1.231 257 L HN 0.368 nan 8.230 nan 0.000 0.438 258 K N 1.508 121.894 120.400 -0.024 0.000 2.378 258 K HA 0.827 5.148 4.320 0.002 0.000 0.252 258 K C -0.326 176.258 176.600 -0.028 0.000 0.931 258 K CA -0.277 55.995 56.287 -0.027 0.000 0.794 258 K CB 1.711 34.194 32.500 -0.028 0.000 1.181 258 K HN 0.764 nan 8.250 nan 0.000 0.425 259 A N 1.531 124.335 122.820 -0.027 0.000 2.520 259 A HA 0.433 4.754 4.320 0.002 0.000 0.245 259 A C 0.839 178.407 177.584 -0.028 0.000 1.072 259 A CA 0.760 52.782 52.037 -0.025 0.000 0.761 259 A CB -0.323 18.663 19.000 -0.023 0.000 1.004 259 A HN 1.002 nan 8.150 nan 0.000 0.499 260 T N 1.637 116.172 114.554 -0.030 0.000 2.937 260 T HA 0.299 4.650 4.350 0.002 0.000 0.316 260 T C 1.432 176.113 174.700 -0.032 0.000 1.079 260 T CA 0.683 62.760 62.100 -0.039 0.000 1.131 260 T CB 0.416 69.255 68.868 -0.049 0.000 1.000 260 T HN 0.929 nan 8.240 nan 0.000 0.549 261 G N 3.146 111.924 108.800 -0.036 0.000 3.042 261 G HA2 0.099 4.059 3.960 0.002 0.000 0.212 261 G HA3 0.099 4.059 3.960 0.002 0.000 0.212 261 G C 0.530 175.414 174.900 -0.026 0.000 1.166 261 G CA -0.202 44.882 45.100 -0.027 0.000 0.767 261 G HN 0.680 nan 8.290 nan 0.000 0.546 262 N N 0.370 119.049 118.700 -0.036 0.000 2.640 262 N HA 0.222 4.963 4.740 0.002 0.000 0.262 262 N C 1.111 176.599 175.510 -0.037 0.000 1.174 262 N CA -0.388 52.642 53.050 -0.032 0.000 0.791 262 N CB 0.959 39.420 38.487 -0.043 0.000 1.279 262 N HN -0.045 nan 8.380 nan 0.000 0.535 263 L N 1.112 122.327 121.223 -0.013 0.000 2.046 263 L HA -0.105 4.236 4.340 0.002 0.000 0.208 263 L C 1.936 178.811 176.870 0.009 0.000 1.077 263 L CA 1.052 55.891 54.840 -0.002 0.000 0.747 263 L CB -0.143 41.926 42.059 0.016 0.000 0.896 263 L HN 0.284 nan 8.230 nan 0.000 0.432 264 V N -0.136 119.796 119.914 0.030 0.000 2.332 264 V HA -0.297 3.824 4.120 0.002 0.000 0.248 264 V C 2.525 178.661 176.094 0.071 0.000 1.055 264 V CA 1.975 64.321 62.300 0.077 0.000 1.038 264 V CB -0.479 31.398 31.823 0.090 0.000 0.651 264 V HN 0.511 nan 8.190 nan 0.000 0.450 265 E N 0.291 120.468 120.200 -0.037 0.000 2.046 265 E HA -0.179 4.172 4.350 0.002 0.000 0.190 265 E C 2.275 178.621 176.600 -0.423 0.000 0.982 265 E CA 1.260 57.515 56.400 -0.242 0.000 0.800 265 E CB -0.160 29.421 29.700 -0.199 0.000 0.756 265 E HN 0.528 nan 8.360 nan 0.000 0.449 266 A N 1.150 123.835 122.820 -0.225 0.000 2.024 266 A HA -0.199 4.122 4.320 0.002 0.000 0.220 266 A C 2.302 179.803 177.584 -0.137 0.000 1.164 266 A CA 2.002 53.924 52.037 -0.191 0.000 0.643 266 A CB -0.738 18.202 19.000 -0.100 0.000 0.806 266 A HN 0.450 nan 8.150 nan 0.000 0.451 267 S N -0.476 115.186 115.700 -0.064 0.000 2.399 267 S HA -0.157 4.314 4.470 0.002 0.000 0.231 267 S C 1.612 176.303 174.600 0.151 0.000 1.022 267 S CA 1.290 59.530 58.200 0.067 0.000 0.983 267 S CB -0.618 62.662 63.200 0.132 0.000 0.803 267 S HN 1.019 nan 8.310 nan 0.000 0.480 268 W N 0.622 121.944 121.300 0.036 0.000 2.870 268 W HA 0.467 5.128 4.660 0.001 0.000 0.358 268 W C -0.623 175.935 176.519 0.064 0.000 1.043 268 W CA -0.609 56.765 57.345 0.048 0.000 1.692 268 W CB -0.823 28.658 29.460 0.035 0.000 1.100 268 W HN 0.132 nan 8.180 nan 0.000 0.557 269 D N 2.638 122.833 120.400 -0.341 0.000 2.383 269 D HA 0.125 4.766 4.640 0.002 0.000 0.252 269 D C 1.170 177.398 176.300 -0.120 0.000 1.166 269 D CA 1.170 54.921 54.000 -0.416 0.000 0.879 269 D CB 1.469 41.939 40.800 -0.550 0.000 1.164 269 D HN 0.038 nan 8.370 nan 0.000 0.462 270 T N -0.323 114.231 114.554 -0.001 0.000 3.170 270 T HA 0.265 4.616 4.350 0.002 0.000 0.288 270 T C 1.759 176.478 174.700 0.032 0.000 0.992 270 T CA -0.070 62.108 62.100 0.130 0.000 0.909 270 T CB 0.516 69.626 68.868 0.403 0.000 1.133 270 T HN 0.290 nan 8.240 nan 0.000 0.530 271 G N 1.960 110.718 108.800 -0.070 0.000 2.469 271 G HA2 -0.070 3.891 3.960 0.002 0.000 0.219 271 G HA3 -0.070 3.891 3.960 0.002 0.000 0.219 271 G C 1.706 176.576 174.900 -0.050 0.000 1.150 271 G CA 0.849 45.925 45.100 -0.041 0.000 0.763 271 G HN 0.713 nan 8.290 nan 0.000 0.561 272 A N 0.336 123.050 122.820 -0.177 0.000 1.930 272 A HA 0.183 4.504 4.320 0.002 0.000 0.217 272 A C 2.136 179.779 177.584 0.099 0.000 1.175 272 A CA 1.392 53.313 52.037 -0.193 0.000 0.627 272 A CB -0.466 18.298 19.000 -0.394 0.000 0.815 272 A HN 0.255 nan 8.150 nan 0.000 0.443 273 F N 0.037 120.177 119.950 0.317 0.000 2.102 273 F HA -0.141 4.386 4.527 0.001 0.000 0.298 273 F C 2.471 178.426 175.800 0.260 0.000 1.105 273 F CA 1.083 59.283 58.000 0.333 0.000 1.239 273 F CB -1.205 37.916 39.000 0.201 0.000 0.991 273 F HN 0.026 nan 8.300 nan 0.000 0.474 274 V N -0.337 119.790 119.914 0.354 0.000 2.343 274 V HA -0.278 3.843 4.120 0.002 0.000 0.247 274 V C 2.254 178.454 176.094 0.177 0.000 1.051 274 V CA 2.389 64.828 62.300 0.231 0.000 1.036 274 V CB -1.161 30.764 31.823 0.171 0.000 0.654 274 V HN 0.398 nan 8.190 nan 0.000 0.451 275 T N -0.156 114.486 114.554 0.146 0.000 2.777 275 T HA -0.173 4.177 4.350 0.002 0.000 0.266 275 T C 1.708 176.485 174.700 0.129 0.000 1.040 275 T CA 1.719 63.873 62.100 0.090 0.000 1.141 275 T CB -0.394 68.490 68.868 0.025 0.000 0.868 275 T HN 0.382 nan 8.240 nan 0.000 0.444 276 F N 1.830 121.837 119.950 0.095 0.000 2.075 276 F HA -0.095 4.433 4.527 0.002 0.000 0.297 276 F C 2.823 178.704 175.800 0.135 0.000 1.113 276 F CA 1.421 59.511 58.000 0.149 0.000 1.218 276 F CB -0.747 38.486 39.000 0.389 0.000 0.984 276 F HN 0.092 nan 8.300 nan 0.000 0.472 277 S N -0.134 115.733 115.700 0.279 0.000 2.387 277 S HA -0.198 4.273 4.470 0.002 0.000 0.230 277 S C 2.349 176.955 174.600 0.010 0.000 1.035 277 S CA 1.639 59.915 58.200 0.126 0.000 1.014 277 S CB -1.221 62.079 63.200 0.166 0.000 0.836 277 S HN 0.567 nan 8.310 nan 0.000 0.466 278 G N 0.911 109.724 108.800 0.023 0.000 2.422 278 G HA2 -0.152 3.809 3.960 0.002 0.000 0.218 278 G HA3 -0.152 3.809 3.960 0.002 0.000 0.218 278 G C 1.381 176.240 174.900 -0.067 0.000 1.146 278 G CA 0.923 46.018 45.100 -0.008 0.000 0.769 278 G HN 0.607 nan 8.290 nan 0.000 0.547 279 I N 0.427 120.913 120.570 -0.141 0.000 2.394 279 I HA 0.003 4.174 4.170 0.002 0.000 0.251 279 I C 2.435 178.423 176.117 -0.216 0.000 1.136 279 I CA 0.900 62.084 61.300 -0.194 0.000 1.425 279 I CB -0.065 37.783 38.000 -0.253 0.000 1.079 279 I HN 0.127 nan 8.210 nan 0.000 0.425 280 L N 0.337 121.400 121.223 -0.265 0.000 2.046 280 L HA -0.160 4.181 4.340 0.002 0.000 0.208 280 L C 2.752 179.566 176.870 -0.093 0.000 1.077 280 L CA 1.239 55.970 54.840 -0.182 0.000 0.747 280 L CB -0.976 40.990 42.059 -0.155 0.000 0.896 280 L HN 0.277 nan 8.230 nan 0.000 0.432 281 R N 0.837 121.298 120.500 -0.065 0.000 2.081 281 R HA -0.175 4.166 4.340 0.002 0.000 0.235 281 R C 2.350 178.632 176.300 -0.030 0.000 1.131 281 R CA 1.550 57.633 56.100 -0.029 0.000 0.960 281 R CB -0.321 29.974 30.300 -0.008 0.000 0.856 281 R HN 0.297 nan 8.270 nan 0.000 0.436 282 R N 0.271 120.746 120.500 -0.043 0.000 2.075 282 R HA -0.058 4.283 4.340 0.002 0.000 0.232 282 R C 2.434 178.712 176.300 -0.036 0.000 1.126 282 R CA 1.395 57.474 56.100 -0.034 0.000 0.963 282 R CB -0.266 30.012 30.300 -0.037 0.000 0.858 282 R HN 0.248 nan 8.270 nan 0.000 0.435 283 I N 0.628 121.166 120.570 -0.053 0.000 2.226 283 I HA -0.260 3.911 4.170 0.002 0.000 0.245 283 I C 2.586 178.677 176.117 -0.042 0.000 1.100 283 I CA 1.346 62.619 61.300 -0.046 0.000 1.374 283 I CB -0.356 37.608 38.000 -0.060 0.000 1.057 283 I HN 0.225 nan 8.210 nan 0.000 0.413 284 A N 0.440 123.232 122.820 -0.045 0.000 1.877 284 A HA -0.168 4.153 4.320 0.002 0.000 0.216 284 A C 2.449 180.009 177.584 -0.039 0.000 1.186 284 A CA 1.878 53.887 52.037 -0.047 0.000 0.620 284 A CB -1.065 17.914 19.000 -0.035 0.000 0.822 284 A HN 0.226 nan 8.150 nan 0.000 0.443 285 V N 0.180 120.084 119.914 -0.016 0.000 2.282 285 V HA -0.350 3.771 4.120 0.002 0.000 0.249 285 V C 2.524 178.606 176.094 -0.020 0.000 1.057 285 V CA 2.596 64.895 62.300 -0.002 0.000 1.032 285 V CB -0.734 31.093 31.823 0.006 0.000 0.645 285 V HN 0.568 nan 8.190 nan 0.000 0.447 286 K N -0.801 119.583 120.400 -0.028 0.000 2.001 286 K HA -0.160 4.161 4.320 0.002 0.000 0.208 286 K C 2.117 178.676 176.600 -0.068 0.000 1.048 286 K CA 1.310 57.574 56.287 -0.037 0.000 0.932 286 K CB -0.443 32.044 32.500 -0.022 0.000 0.715 286 K HN 0.200 nan 8.250 nan 0.000 0.437 287 L N 1.208 122.394 121.223 -0.062 0.000 2.043 287 L HA -0.216 4.125 4.340 0.002 0.000 0.212 287 L C 2.392 179.190 176.870 -0.120 0.000 1.075 287 L CA 1.704 56.497 54.840 -0.078 0.000 0.752 287 L CB -0.859 41.163 42.059 -0.062 0.000 0.891 287 L HN 0.087 nan 8.230 nan 0.000 0.432 288 S N -1.343 114.285 115.700 -0.119 0.000 2.368 288 S HA -0.185 4.286 4.470 0.002 0.000 0.224 288 S C 2.166 176.701 174.600 -0.107 0.000 1.029 288 S CA 1.084 59.195 58.200 -0.149 0.000 0.988 288 S CB -0.264 62.842 63.200 -0.156 0.000 0.838 288 S HN 0.367 nan 8.310 nan 0.000 0.462 289 K N 1.153 121.504 120.400 -0.082 0.000 2.032 289 K HA -0.069 4.252 4.320 0.002 0.000 0.209 289 K C 2.036 178.544 176.600 -0.153 0.000 1.048 289 K CA 1.609 57.851 56.287 -0.075 0.000 0.927 289 K CB -0.695 31.776 32.500 -0.048 0.000 0.712 289 K HN 0.487 nan 8.250 nan 0.000 0.441 290 I N 1.076 121.492 120.570 -0.256 0.000 2.163 290 I HA -0.308 3.863 4.170 0.002 0.000 0.243 290 I C 2.541 178.414 176.117 -0.406 0.000 1.085 290 I CA 1.438 62.414 61.300 -0.541 0.000 1.347 290 I CB -0.408 37.178 38.000 -0.690 0.000 1.044 290 I HN 0.175 nan 8.210 nan 0.000 0.408 291 A N 0.937 123.618 122.820 -0.231 0.000 1.908 291 A HA -0.229 4.092 4.320 0.002 0.000 0.218 291 A C 2.059 179.578 177.584 -0.107 0.000 1.181 291 A CA 2.049 53.999 52.037 -0.145 0.000 0.627 291 A CB -0.730 18.199 19.000 -0.119 0.000 0.818 291 A HN 0.432 nan 8.150 nan 0.000 0.445 292 N N 0.614 119.257 118.700 -0.094 0.000 2.104 292 N HA -0.146 4.595 4.740 0.002 0.000 0.190 292 N C 1.181 176.665 175.510 -0.043 0.000 1.024 292 N CA 1.640 54.663 53.050 -0.045 0.000 0.853 292 N CB -0.560 37.915 38.487 -0.020 0.000 1.008 292 N HN 0.450 nan 8.380 nan 0.000 0.424 293 D N 0.688 121.040 120.400 -0.080 0.000 2.104 293 D HA -0.073 4.568 4.640 0.002 0.000 0.194 293 D C 2.136 178.418 176.300 -0.030 0.000 0.994 293 D CA 0.558 54.529 54.000 -0.050 0.000 0.830 293 D CB -0.331 40.431 40.800 -0.063 0.000 0.959 293 D HN 0.220 nan 8.370 nan 0.000 0.452 294 L N 0.143 121.321 121.223 -0.076 0.000 2.083 294 L HA -0.097 4.244 4.340 0.002 0.000 0.209 294 L C 2.481 179.370 176.870 0.031 0.000 1.083 294 L CA 1.013 55.856 54.840 0.005 0.000 0.752 294 L CB -0.173 41.892 42.059 0.009 0.000 0.899 294 L HN -0.033 nan 8.230 nan 0.000 0.433 295 R N -0.724 119.780 120.500 0.007 0.000 2.115 295 R HA -0.109 4.232 4.340 0.002 0.000 0.226 295 R C 2.123 178.436 176.300 0.022 0.000 1.100 295 R CA 0.805 56.915 56.100 0.017 0.000 0.980 295 R CB -0.244 30.061 30.300 0.008 0.000 0.875 295 R HN 0.179 nan 8.270 nan 0.000 0.445 296 L N 0.805 122.039 121.223 0.018 0.000 2.068 296 L HA -0.037 4.304 4.340 0.002 0.000 0.204 296 L C 1.915 178.802 176.870 0.029 0.000 1.076 296 L CA 1.524 56.377 54.840 0.021 0.000 0.753 296 L CB -0.264 41.805 42.059 0.016 0.000 0.910 296 L HN 0.085 nan 8.230 nan 0.000 0.439 297 L N -0.807 120.441 121.223 0.041 0.000 2.201 297 L HA -0.117 4.224 4.340 0.002 0.000 0.212 297 L C 2.071 178.972 176.870 0.052 0.000 1.105 297 L CA 1.251 56.123 54.840 0.053 0.000 0.775 297 L CB -0.581 41.530 42.059 0.087 0.000 0.913 297 L HN 0.445 nan 8.230 nan 0.000 0.440 298 S N -1.663 114.070 115.700 0.054 0.000 2.597 298 S HA 0.084 4.555 4.470 0.002 0.000 0.224 298 S C 0.821 175.441 174.600 0.033 0.000 0.955 298 S CA -0.409 57.820 58.200 0.048 0.000 0.933 298 S CB -0.429 62.809 63.200 0.062 0.000 0.788 298 S HN 0.340 nan 8.310 nan 0.000 0.488 299 S N 0.529 116.245 115.700 0.027 0.000 2.572 299 S HA 0.705 5.176 4.470 0.002 0.000 0.279 299 S C 0.896 175.506 174.600 0.017 0.000 1.341 299 S CA 0.063 58.275 58.200 0.021 0.000 1.043 299 S CB 0.718 63.929 63.200 0.018 0.000 0.887 299 S HN 1.314 nan 8.310 nan 0.000 0.516 300 G N 1.845 110.653 108.800 0.014 0.000 2.178 300 G HA2 0.011 3.972 3.960 0.002 0.000 0.147 300 G HA3 0.011 3.972 3.960 0.002 0.000 0.147 300 G C -2.207 172.700 174.900 0.011 0.000 1.245 300 G CA -0.138 44.969 45.100 0.011 0.000 1.275 300 G HN 0.668 nan 8.290 nan 0.000 0.491 301 P HA 0.195 nan 4.420 nan 0.000 0.235 301 P C 1.377 178.681 177.300 0.006 0.000 1.177 301 P CA 0.760 63.865 63.100 0.009 0.000 0.785 301 P CB 0.227 31.932 31.700 0.009 0.000 0.885 302 R N -0.662 119.841 120.500 0.006 0.000 2.221 302 R HA 0.229 4.570 4.340 0.002 0.000 0.195 302 R C 1.651 177.954 176.300 0.004 0.000 0.956 302 R CA 0.606 56.709 56.100 0.004 0.000 1.064 302 R CB -0.049 30.254 30.300 0.004 0.000 1.049 302 R HN -0.032 nan 8.270 nan 0.000 0.534 303 S N 0.061 115.764 115.700 0.005 0.000 2.575 303 S HA 0.326 4.797 4.470 0.002 0.000 0.237 303 S C 0.311 174.914 174.600 0.006 0.000 0.975 303 S CA -0.216 57.987 58.200 0.005 0.000 0.960 303 S CB 1.271 64.474 63.200 0.005 0.000 0.822 303 S HN 0.435 nan 8.310 nan 0.000 0.472 304 G N 0.442 109.247 108.800 0.007 0.000 3.212 304 G HA2 0.548 4.508 3.960 0.002 0.000 0.188 304 G HA3 0.548 4.508 3.960 0.002 0.000 0.188 304 G C 0.455 175.360 174.900 0.008 0.000 1.254 304 G CA -0.617 44.488 45.100 0.009 0.000 0.957 304 G HN 0.226 nan 8.290 nan 0.000 0.596 305 L N 0.266 121.495 121.223 0.010 0.000 2.209 305 L HA 0.155 4.496 4.340 0.002 0.000 0.207 305 L C 2.306 179.180 176.870 0.007 0.000 1.094 305 L CA 1.002 55.847 54.840 0.009 0.000 0.790 305 L CB -0.596 41.471 42.059 0.013 0.000 0.932 305 L HN 0.888 nan 8.230 nan 0.000 0.447 306 G N 0.650 109.456 108.800 0.010 0.000 2.233 306 G HA2 -0.317 3.644 3.960 0.002 0.000 0.270 306 G HA3 -0.317 3.644 3.960 0.002 0.000 0.270 306 G C 0.773 175.672 174.900 -0.002 0.000 1.011 306 G CA 0.843 45.947 45.100 0.005 0.000 0.762 306 G HN 0.508 nan 8.290 nan 0.000 0.511 307 E N -0.760 119.440 120.200 0.001 0.000 2.158 307 E HA 0.161 4.512 4.350 0.002 0.000 0.191 307 E C 1.572 178.149 176.600 -0.038 0.000 0.982 307 E CA 1.142 57.532 56.400 -0.016 0.000 0.823 307 E CB 0.134 29.832 29.700 -0.004 0.000 0.766 307 E HN 0.914 nan 8.360 nan 0.000 0.468 308 I N -2.588 117.981 120.570 -0.002 0.000 3.074 308 I HA 0.505 4.676 4.170 0.002 0.000 0.310 308 I C -0.996 175.137 176.117 0.027 0.000 1.153 308 I CA -1.336 59.962 61.300 -0.005 0.000 0.993 308 I CB 2.219 40.264 38.000 0.076 0.000 1.237 308 I HN -0.340 nan 8.210 nan 0.000 0.443 309 R N 3.386 123.905 120.500 0.033 0.000 2.480 309 R HA 0.649 4.990 4.340 0.002 0.000 0.306 309 R C -1.244 175.100 176.300 0.073 0.000 0.958 309 R CA -0.818 55.309 56.100 0.046 0.000 0.861 309 R CB 2.216 32.534 30.300 0.030 0.000 1.171 309 R HN 0.549 nan 8.270 nan 0.000 0.445 310 L N 4.048 125.315 121.223 0.075 0.000 2.395 310 L HA 0.386 4.727 4.340 0.002 0.000 0.269 310 L C -1.802 175.103 176.870 0.058 0.000 1.133 310 L CA -2.200 52.688 54.840 0.081 0.000 0.812 310 L CB 0.483 42.587 42.059 0.075 0.000 1.125 310 L HN 0.266 nan 8.230 nan 0.000 0.452 311 P HA 0.040 nan 4.420 nan 0.000 0.265 311 P C -0.673 176.645 177.300 0.030 0.000 1.193 311 P CA -0.256 62.867 63.100 0.038 0.000 0.765 311 P CB 0.608 32.327 31.700 0.032 0.000 0.823 312 A N 3.049 125.884 122.820 0.025 0.000 2.404 312 A HA 0.329 4.650 4.320 0.002 0.000 0.273 312 A C 1.069 178.663 177.584 0.016 0.000 1.144 312 A CA -0.185 51.864 52.037 0.020 0.000 0.806 312 A CB -0.301 18.710 19.000 0.018 0.000 1.080 312 A HN 0.483 nan 8.150 nan 0.000 0.509 313 V N -0.765 119.158 119.914 0.015 0.000 3.477 313 V HA 0.356 4.477 4.120 0.002 0.000 0.297 313 V C 0.149 176.249 176.094 0.010 0.000 1.433 313 V CA 0.160 62.468 62.300 0.012 0.000 1.052 313 V CB -0.375 31.454 31.823 0.010 0.000 0.895 313 V HN 0.666 nan 8.190 nan 0.000 0.438 314 Q N 2.055 121.861 119.800 0.011 0.000 2.305 314 Q HA 0.670 5.011 4.340 0.002 0.000 0.271 314 Q C -2.842 173.164 176.000 0.010 0.000 1.046 314 Q CA -1.639 54.170 55.803 0.010 0.000 0.798 314 Q CB 2.552 31.297 28.738 0.010 0.000 1.286 314 Q HN 0.347 nan 8.270 nan 0.000 0.435 315 P HA 0.439 nan 4.420 nan 0.000 0.272 315 P C -0.433 176.873 177.300 0.010 0.000 1.240 315 P CA -0.285 62.820 63.100 0.009 0.000 0.791 315 P CB 0.807 32.512 31.700 0.008 0.000 0.978 316 G N -0.520 108.285 108.800 0.009 0.000 3.175 316 G HA2 0.483 4.444 3.960 0.002 0.000 0.255 316 G HA3 0.483 4.444 3.960 0.002 0.000 0.255 316 G C -1.126 173.779 174.900 0.008 0.000 1.352 316 G CA -0.508 44.597 45.100 0.009 0.000 1.037 316 G HN 0.575 nan 8.290 nan 0.000 0.556 317 S N -1.070 114.634 115.700 0.008 0.000 2.462 317 S HA 0.362 4.833 4.470 0.002 0.000 0.294 317 S C 1.678 176.283 174.600 0.007 0.000 1.144 317 S CA 0.385 58.590 58.200 0.007 0.000 1.088 317 S CB 1.310 64.514 63.200 0.007 0.000 1.009 317 S HN 1.180 nan 8.310 nan 0.000 0.484 318 S N 4.845 120.549 115.700 0.006 0.000 2.442 318 S HA -0.084 4.386 4.470 0.002 0.000 0.236 318 S C 1.580 176.183 174.600 0.006 0.000 1.007 318 S CA 0.858 59.062 58.200 0.006 0.000 0.965 318 S CB -0.532 62.672 63.200 0.006 0.000 0.773 318 S HN 0.817 nan 8.310 nan 0.000 0.504 319 I N 0.074 120.647 120.570 0.006 0.000 3.059 319 I HA 0.202 4.372 4.170 0.002 0.000 0.270 319 I C 0.431 176.551 176.117 0.006 0.000 1.238 319 I CA 0.614 61.917 61.300 0.005 0.000 1.478 319 I CB 0.040 38.043 38.000 0.005 0.000 1.097 319 I HN 0.336 nan 8.210 nan 0.000 0.455 320 M N 3.298 122.902 119.600 0.006 0.000 3.157 320 M HA 0.331 4.812 4.480 0.002 0.000 0.213 320 M C -2.442 173.862 176.300 0.008 0.000 1.177 320 M CA -1.704 53.600 55.300 0.007 0.000 1.109 320 M CB 0.249 32.853 32.600 0.007 0.000 1.262 320 M HN -0.131 nan 8.290 nan 0.000 0.570 321 P HA 0.390 nan 4.420 nan 0.000 0.278 321 P C 0.868 178.173 177.300 0.008 0.000 1.258 321 P CA 0.359 63.464 63.100 0.008 0.000 0.811 321 P CB 1.390 33.094 31.700 0.007 0.000 1.063 322 G N 0.408 109.214 108.800 0.010 0.000 2.304 322 G HA2 -0.288 3.673 3.960 0.002 0.000 0.252 322 G HA3 -0.288 3.673 3.960 0.002 0.000 0.252 322 G C 0.383 175.290 174.900 0.012 0.000 1.014 322 G CA 0.403 45.509 45.100 0.010 0.000 0.619 322 G HN 0.741 nan 8.290 nan 0.000 0.525 323 K N 1.001 121.408 120.400 0.011 0.000 2.336 323 K HA 0.443 4.764 4.320 0.002 0.000 0.290 323 K C -0.281 176.327 176.600 0.014 0.000 1.067 323 K CA -0.103 56.192 56.287 0.012 0.000 0.962 323 K CB 0.304 32.810 32.500 0.011 0.000 1.008 323 K HN 0.098 nan 8.250 nan 0.000 0.467 324 V N 5.283 125.207 119.914 0.017 0.000 2.305 324 V HA 0.113 4.234 4.120 0.002 0.000 0.275 324 V C -0.439 175.666 176.094 0.020 0.000 1.020 324 V CA -1.243 61.069 62.300 0.019 0.000 0.811 324 V CB 0.821 32.658 31.823 0.023 0.000 1.031 324 V HN 0.718 nan 8.190 nan 0.000 0.439 325 N N 6.495 125.205 118.700 0.018 0.000 2.454 325 N HA 0.155 4.896 4.740 0.002 0.000 0.260 325 N C -2.016 173.505 175.510 0.019 0.000 1.218 325 N CA -1.266 51.794 53.050 0.018 0.000 0.904 325 N CB 1.016 39.512 38.487 0.015 0.000 1.065 325 N HN 0.394 nan 8.380 nan 0.000 0.462 326 P HA 0.015 nan 4.420 nan 0.000 0.226 326 P C 1.145 178.454 177.300 0.014 0.000 1.783 326 P CA -0.179 62.934 63.100 0.021 0.000 0.980 326 P CB -0.247 31.467 31.700 0.022 0.000 1.967 327 V N -1.019 118.903 119.914 0.013 0.000 2.407 327 V HA -0.201 3.920 4.120 0.002 0.000 0.248 327 V C 1.956 178.051 176.094 0.002 0.000 1.055 327 V CA 1.333 63.638 62.300 0.008 0.000 1.049 327 V CB -1.198 30.631 31.823 0.009 0.000 0.662 327 V HN 0.070 nan 8.190 nan 0.000 0.455 328 I N 0.786 121.358 120.570 0.003 0.000 2.163 328 I HA -0.024 4.147 4.170 0.002 0.000 0.240 328 I C 0.373 176.481 176.117 -0.015 0.000 1.081 328 I CA 1.417 62.714 61.300 -0.005 0.000 1.353 328 I CB -2.784 35.216 38.000 -0.001 0.000 1.054 328 I HN 0.340 nan 8.210 nan 0.000 0.407 329 P HA -0.148 nan 4.420 nan 0.000 0.218 329 P C 1.506 178.778 177.300 -0.046 0.000 1.148 329 P CA 1.393 64.475 63.100 -0.030 0.000 0.822 329 P CB -0.031 31.657 31.700 -0.019 0.000 0.784 330 E N -0.314 119.870 120.200 -0.026 0.000 2.077 330 E HA -0.162 4.189 4.350 0.002 0.000 0.193 330 E C 2.171 178.748 176.600 -0.039 0.000 0.989 330 E CA 1.752 58.138 56.400 -0.024 0.000 0.800 330 E CB -0.474 29.226 29.700 0.001 0.000 0.746 330 E HN 0.342 nan 8.360 nan 0.000 0.452 331 S N 0.517 116.198 115.700 -0.032 0.000 2.383 331 S HA -0.129 4.342 4.470 0.002 0.000 0.227 331 S C 2.230 176.792 174.600 -0.064 0.000 1.026 331 S CA 1.064 59.244 58.200 -0.033 0.000 0.981 331 S CB -0.555 62.633 63.200 -0.020 0.000 0.818 331 S HN 0.063 nan 8.310 nan 0.000 0.472 332 V N 3.349 123.216 119.914 -0.077 0.000 2.295 332 V HA -0.237 3.884 4.120 0.002 0.000 0.246 332 V C 2.436 178.416 176.094 -0.190 0.000 1.049 332 V CA 2.347 64.583 62.300 -0.107 0.000 1.024 332 V CB -1.475 30.294 31.823 -0.089 0.000 0.648 332 V HN 0.555 nan 8.190 nan 0.000 0.447 333 N N -0.293 118.265 118.700 -0.237 0.000 2.094 333 N HA -0.239 4.502 4.740 0.002 0.000 0.191 333 N C 1.939 177.076 175.510 -0.621 0.000 1.023 333 N CA 1.449 54.202 53.050 -0.495 0.000 0.857 333 N CB -0.199 38.062 38.487 -0.377 0.000 1.013 333 N HN 0.588 nan 8.380 nan 0.000 0.426 334 Q N 0.243 119.895 119.800 -0.246 0.000 2.050 334 Q HA -0.092 4.249 4.340 0.002 0.000 0.202 334 Q C 2.168 178.121 176.000 -0.077 0.000 0.980 334 Q CA 1.097 56.852 55.803 -0.081 0.000 0.840 334 Q CB -0.111 28.628 28.738 0.002 0.000 0.898 334 Q HN 0.243 nan 8.270 nan 0.000 0.424 335 V N 0.404 120.259 119.914 -0.099 0.000 2.332 335 V HA -0.326 3.795 4.120 0.002 0.000 0.248 335 V C 2.348 178.391 176.094 -0.084 0.000 1.055 335 V CA 1.562 63.821 62.300 -0.068 0.000 1.038 335 V CB -0.481 31.302 31.823 -0.066 0.000 0.651 335 V HN 0.520 nan 8.190 nan 0.000 0.450 336 C N -1.003 118.190 119.300 -0.180 0.000 2.453 336 C HA -0.146 4.315 4.460 0.002 0.000 0.277 336 C C 2.572 177.546 174.990 -0.027 0.000 1.262 336 C CA 0.492 59.413 59.018 -0.162 0.000 1.718 336 C CB -1.119 26.456 27.740 -0.274 0.000 2.031 336 C HN 0.589 nan 8.230 nan 0.000 0.480 337 Y N 1.172 121.466 120.300 -0.010 0.000 2.165 337 Y HA -0.215 4.336 4.550 0.002 0.000 0.286 337 Y C 2.592 178.491 175.900 -0.003 0.000 1.155 337 Y CA 1.669 59.766 58.100 -0.005 0.000 1.164 337 Y CB -1.421 37.037 38.460 -0.003 0.000 0.978 337 Y HN 0.350 nan 8.280 nan 0.000 0.513 338 Q N 0.271 120.154 119.800 0.139 0.000 2.050 338 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 338 Q C 2.287 178.315 176.000 0.046 0.000 0.980 338 Q CA 1.878 57.727 55.803 0.077 0.000 0.840 338 Q CB -0.573 28.193 28.738 0.046 0.000 0.898 338 Q HN 0.288 nan 8.270 nan 0.000 0.424 339 V N 0.336 120.266 119.914 0.026 0.000 2.343 339 V HA -0.252 3.869 4.120 0.002 0.000 0.247 339 V C 2.199 178.308 176.094 0.024 0.000 1.051 339 V CA 1.771 64.075 62.300 0.006 0.000 1.036 339 V CB -0.519 31.295 31.823 -0.015 0.000 0.654 339 V HN 0.386 nan 8.190 nan 0.000 0.451 340 I N 0.630 121.230 120.570 0.050 0.000 2.179 340 I HA -0.170 4.000 4.170 0.002 0.000 0.242 340 I C 2.616 178.762 176.117 0.049 0.000 1.088 340 I CA 1.765 63.099 61.300 0.056 0.000 1.357 340 I CB -0.938 37.115 38.000 0.088 0.000 1.051 340 I HN 0.395 nan 8.210 nan 0.000 0.409 341 G N 0.751 109.585 108.800 0.056 0.000 2.440 341 G HA2 -0.269 3.692 3.960 0.002 0.000 0.218 341 G HA3 -0.269 3.692 3.960 0.002 0.000 0.218 341 G C 1.418 176.342 174.900 0.041 0.000 1.154 341 G CA 0.888 46.015 45.100 0.045 0.000 0.767 341 G HN 0.297 nan 8.290 nan 0.000 0.552 342 N N 0.707 119.428 118.700 0.034 0.000 2.223 342 N HA -0.080 4.661 4.740 0.002 0.000 0.185 342 N C 1.772 177.299 175.510 0.028 0.000 1.016 342 N CA 1.352 54.415 53.050 0.021 0.000 0.863 342 N CB -0.404 38.075 38.487 -0.013 0.000 0.983 342 N HN 0.424 nan 8.380 nan 0.000 0.429 343 D N -0.056 120.363 120.400 0.031 0.000 2.144 343 D HA -0.105 4.536 4.640 0.002 0.000 0.199 343 D C 1.844 178.173 176.300 0.048 0.000 0.984 343 D CA 0.422 54.447 54.000 0.042 0.000 0.834 343 D CB -0.057 40.764 40.800 0.035 0.000 0.955 343 D HN 0.088 nan 8.370 nan 0.000 0.465 344 L N 0.089 121.337 121.223 0.042 0.000 2.093 344 L HA -0.056 4.285 4.340 0.002 0.000 0.208 344 L C 2.119 179.015 176.870 0.043 0.000 1.085 344 L CA 1.768 56.632 54.840 0.040 0.000 0.755 344 L CB -1.054 41.024 42.059 0.031 0.000 0.904 344 L HN 0.003 nan 8.230 nan 0.000 0.435 345 T N -0.956 113.625 114.554 0.045 0.000 2.708 345 T HA -0.170 4.181 4.350 0.002 0.000 0.266 345 T C 1.983 176.714 174.700 0.052 0.000 1.037 345 T CA 1.740 63.869 62.100 0.048 0.000 1.146 345 T CB -0.393 68.515 68.868 0.065 0.000 0.865 345 T HN 0.210 nan 8.240 nan 0.000 0.435 346 V N 1.406 121.356 119.914 0.060 0.000 2.343 346 V HA -0.203 3.918 4.120 0.002 0.000 0.247 346 V C 2.780 178.937 176.094 0.105 0.000 1.051 346 V CA 2.029 64.378 62.300 0.082 0.000 1.036 346 V CB -1.082 30.796 31.823 0.093 0.000 0.654 346 V HN 0.534 nan 8.190 nan 0.000 0.451 347 T N -0.179 114.429 114.554 0.091 0.000 2.708 347 T HA -0.210 4.141 4.350 0.002 0.000 0.266 347 T C 1.890 176.643 174.700 0.088 0.000 1.037 347 T CA 1.865 64.021 62.100 0.094 0.000 1.146 347 T CB -0.275 68.636 68.868 0.072 0.000 0.865 347 T HN 0.321 nan 8.240 nan 0.000 0.435 348 M N 0.754 120.390 119.600 0.060 0.000 2.117 348 M HA -0.066 4.415 4.480 0.002 0.000 0.262 348 M C 2.830 179.160 176.300 0.050 0.000 1.065 348 M CA 1.554 56.878 55.300 0.039 0.000 1.114 348 M CB -0.559 32.043 32.600 0.003 0.000 1.361 348 M HN 0.305 nan 8.290 nan 0.000 0.408 349 A N 0.505 123.361 122.820 0.060 0.000 1.877 349 A HA -0.032 4.289 4.320 0.002 0.000 0.216 349 A C 2.395 180.134 177.584 0.259 0.000 1.186 349 A CA 1.924 54.036 52.037 0.125 0.000 0.620 349 A CB -0.898 18.178 19.000 0.127 0.000 0.822 349 A HN 0.492 nan 8.150 nan 0.000 0.443 350 A N -0.712 122.241 122.820 0.221 0.000 1.902 350 A HA -0.171 4.150 4.320 0.002 0.000 0.217 350 A C 2.045 179.771 177.584 0.236 0.000 1.181 350 A CA 1.734 53.925 52.037 0.257 0.000 0.623 350 A CB -0.449 18.695 19.000 0.240 0.000 0.818 350 A HN 0.508 nan 8.150 nan 0.000 0.443 351 E N 0.450 120.757 120.200 0.179 0.000 2.268 351 E HA -0.071 4.279 4.350 0.002 0.000 0.195 351 E C 0.958 177.643 176.600 0.142 0.000 0.995 351 E CA 1.047 57.532 56.400 0.143 0.000 0.836 351 E CB -0.072 29.688 29.700 0.100 0.000 0.763 351 E HN 0.489 nan 8.360 nan 0.000 0.491 352 S N 0.179 115.997 115.700 0.196 0.000 2.614 352 S HA 0.214 4.685 4.470 0.002 0.000 0.230 352 S C 0.531 175.293 174.600 0.271 0.000 0.952 352 S CA 0.130 58.474 58.200 0.240 0.000 0.949 352 S CB 0.598 63.978 63.200 0.299 0.000 0.786 352 S HN 0.283 nan 8.310 nan 0.000 0.478 353 G N 1.333 110.255 108.800 0.203 0.000 2.491 353 G HA2 0.334 4.295 3.960 0.002 0.000 0.238 353 G HA3 0.334 4.295 3.960 0.002 0.000 0.238 353 G C -0.494 174.401 174.900 -0.008 0.000 1.277 353 G CA -0.234 44.939 45.100 0.122 0.000 0.851 353 G HN 0.384 nan 8.290 nan 0.000 0.573 354 Q N 1.100 120.868 119.800 -0.053 0.000 2.290 354 Q HA 0.469 4.810 4.340 0.002 0.000 0.269 354 Q C 0.472 176.383 176.000 -0.148 0.000 1.016 354 Q CA -0.681 55.057 55.803 -0.108 0.000 0.754 354 Q CB 2.119 30.823 28.738 -0.057 0.000 1.247 354 Q HN 0.587 nan 8.270 nan 0.000 0.451 355 L N 0.647 121.714 121.223 -0.259 0.000 5.891 355 L HA -0.443 3.898 4.340 0.002 0.000 0.053 355 L C 0.672 177.454 176.870 -0.147 0.000 2.528 355 L CA 1.245 55.950 54.840 -0.224 0.000 1.612 355 L CB -0.978 41.019 42.059 -0.104 0.000 2.817 355 L HN 0.634 nan 8.230 nan 0.000 0.990 356 Q N 0.218 120.024 119.800 0.011 0.000 2.247 356 Q HA 0.553 4.894 4.340 0.002 0.000 0.205 356 Q C -0.752 175.345 176.000 0.162 0.000 0.896 356 Q CA 0.399 56.290 55.803 0.146 0.000 0.950 356 Q CB 0.468 29.271 28.738 0.108 0.000 1.054 356 Q HN 0.296 nan 8.270 nan 0.000 0.482 357 L N -0.388 120.911 121.223 0.127 0.000 2.545 357 L HA 0.411 4.752 4.340 0.002 0.000 0.258 357 L C -1.713 175.214 176.870 0.094 0.000 0.942 357 L CA -0.476 54.435 54.840 0.117 0.000 0.855 357 L CB 2.013 44.089 42.059 0.028 0.000 1.374 357 L HN -0.094 nan 8.230 nan 0.000 0.411 358 N N 2.439 121.218 118.700 0.132 0.000 2.414 358 N HA 0.377 5.118 4.740 0.002 0.000 0.256 358 N C 0.338 175.774 175.510 -0.123 0.000 1.029 358 N CA 0.448 53.531 53.050 0.055 0.000 0.948 358 N CB 2.062 40.675 38.487 0.210 0.000 1.102 358 N HN 0.794 nan 8.380 nan 0.000 0.496 359 A N 3.523 126.053 122.820 -0.483 0.000 2.235 359 A HA 0.062 4.383 4.320 0.002 0.000 0.208 359 A C 0.210 177.422 177.584 -0.619 0.000 1.172 359 A CA 0.547 52.181 52.037 -0.671 0.000 0.786 359 A CB -0.351 18.076 19.000 -0.956 0.000 0.804 359 A HN 0.592 nan 8.150 nan 0.000 0.479 360 F N -0.310 119.664 119.950 0.039 0.000 2.735 360 F HA 0.245 4.773 4.527 0.002 0.000 0.304 360 F C 1.372 177.177 175.800 0.008 0.000 1.119 360 F CA -0.848 57.161 58.000 0.016 0.000 1.280 360 F CB -0.167 38.855 39.000 0.036 0.000 0.994 360 F HN 0.261 nan 8.300 nan 0.000 0.520 361 E N 0.928 121.209 120.200 0.135 0.000 2.160 361 E HA -0.169 4.182 4.350 0.002 0.000 0.195 361 E C -0.700 175.959 176.600 0.098 0.000 0.991 361 E CA 1.180 57.629 56.400 0.082 0.000 0.810 361 E CB -1.085 28.714 29.700 0.165 0.000 0.742 361 E HN 0.336 nan 8.360 nan 0.000 0.466 362 P HA -0.174 nan 4.420 nan 0.000 0.215 362 P C 1.596 178.889 177.300 -0.011 0.000 1.153 362 P CA 0.882 64.034 63.100 0.086 0.000 0.853 362 P CB 0.005 31.658 31.700 -0.078 0.000 0.788 363 L N -1.065 120.154 121.223 -0.006 0.000 2.056 363 L HA -0.081 4.260 4.340 0.002 0.000 0.207 363 L C 2.171 179.036 176.870 -0.008 0.000 1.078 363 L CA 1.658 56.480 54.840 -0.030 0.000 0.749 363 L CB -1.030 41.052 42.059 0.039 0.000 0.901 363 L HN -0.153 nan 8.230 nan 0.000 0.433 364 I N -1.520 119.028 120.570 -0.037 0.000 2.179 364 I HA -0.264 3.907 4.170 0.002 0.000 0.242 364 I C 2.513 178.504 176.117 -0.210 0.000 1.088 364 I CA 1.447 62.671 61.300 -0.127 0.000 1.357 364 I CB -0.445 37.417 38.000 -0.230 0.000 1.051 364 I HN 0.193 nan 8.210 nan 0.000 0.409 365 V N 0.070 119.835 119.914 -0.248 0.000 2.427 365 V HA -0.310 3.811 4.120 0.002 0.000 0.248 365 V C 2.354 178.373 176.094 -0.124 0.000 1.051 365 V CA 1.731 63.874 62.300 -0.262 0.000 1.048 365 V CB -0.467 31.181 31.823 -0.291 0.000 0.666 365 V HN 0.499 nan 8.190 nan 0.000 0.456 366 Y N 1.473 121.661 120.300 -0.185 0.000 2.181 366 Y HA -0.198 4.353 4.550 0.002 0.000 0.288 366 Y C 2.417 178.243 175.900 -0.123 0.000 1.146 366 Y CA 2.283 60.281 58.100 -0.170 0.000 1.164 366 Y CB -0.526 37.779 38.460 -0.258 0.000 0.982 366 Y HN 0.352 nan 8.280 nan 0.000 0.515 367 N N 0.329 118.851 118.700 -0.296 0.000 2.142 367 N HA -0.149 4.592 4.740 0.002 0.000 0.186 367 N C 1.945 177.331 175.510 -0.207 0.000 1.023 367 N CA 1.838 54.699 53.050 -0.314 0.000 0.852 367 N CB -0.149 38.270 38.487 -0.114 0.000 0.998 367 N HN 0.424 nan 8.380 nan 0.000 0.424 368 I N 1.341 121.836 120.570 -0.124 0.000 2.202 368 I HA -0.223 3.947 4.170 0.002 0.000 0.242 368 I C 2.239 178.327 176.117 -0.049 0.000 1.091 368 I CA 0.809 62.094 61.300 -0.024 0.000 1.368 368 I CB -0.268 37.757 38.000 0.043 0.000 1.058 368 I HN 0.056 nan 8.210 nan 0.000 0.410 369 L N 0.151 121.301 121.223 -0.122 0.000 2.042 369 L HA -0.211 4.130 4.340 0.002 0.000 0.210 369 L C 2.720 179.501 176.870 -0.149 0.000 1.076 369 L CA 1.345 56.111 54.840 -0.123 0.000 0.749 369 L CB -0.560 41.418 42.059 -0.135 0.000 0.893 369 L HN 0.229 nan 8.230 nan 0.000 0.432 370 S N -0.783 114.769 115.700 -0.247 0.000 2.356 370 S HA -0.163 4.308 4.470 0.002 0.000 0.223 370 S C 2.180 176.693 174.600 -0.145 0.000 1.032 370 S CA 1.497 59.551 58.200 -0.244 0.000 1.005 370 S CB -0.226 62.726 63.200 -0.413 0.000 0.867 370 S HN 0.322 nan 8.310 nan 0.000 0.449 371 S N 1.727 117.353 115.700 -0.124 0.000 2.383 371 S HA -0.035 4.436 4.470 0.002 0.000 0.229 371 S C 1.925 176.502 174.600 -0.037 0.000 1.030 371 S CA 1.247 59.408 58.200 -0.065 0.000 1.002 371 S CB -0.399 62.776 63.200 -0.041 0.000 0.829 371 S HN 0.416 nan 8.310 nan 0.000 0.467 372 M N 0.632 120.226 119.600 -0.011 0.000 2.117 372 M HA -0.148 4.333 4.480 0.002 0.000 0.262 372 M C 2.373 178.662 176.300 -0.019 0.000 1.065 372 M CA 1.538 56.848 55.300 0.017 0.000 1.114 372 M CB -0.383 32.258 32.600 0.067 0.000 1.361 372 M HN 0.225 nan 8.290 nan 0.000 0.408 373 R N 1.110 121.583 120.500 -0.046 0.000 2.073 373 R HA -0.124 4.217 4.340 0.002 0.000 0.234 373 R C 1.985 178.259 176.300 -0.043 0.000 1.134 373 R CA 1.482 57.550 56.100 -0.054 0.000 0.952 373 R CB -0.422 29.828 30.300 -0.084 0.000 0.850 373 R HN 0.313 nan 8.270 nan 0.000 0.433 374 L N 0.619 121.816 121.223 -0.044 0.000 2.012 374 L HA -0.222 4.119 4.340 0.002 0.000 0.210 374 L C 2.577 179.426 176.870 -0.036 0.000 1.073 374 L CA 1.371 56.191 54.840 -0.034 0.000 0.748 374 L CB -0.462 41.577 42.059 -0.034 0.000 0.891 374 L HN 0.302 nan 8.230 nan 0.000 0.431 375 L N -0.744 120.455 121.223 -0.039 0.000 2.027 375 L HA -0.133 4.208 4.340 0.002 0.000 0.206 375 L C 2.685 179.532 176.870 -0.038 0.000 1.074 375 L CA 1.409 56.224 54.840 -0.041 0.000 0.745 375 L CB -1.117 40.916 42.059 -0.043 0.000 0.898 375 L HN 0.342 nan 8.230 nan 0.000 0.433 376 G N -0.280 108.500 108.800 -0.034 0.000 2.476 376 G HA2 -0.305 3.656 3.960 0.002 0.000 0.218 376 G HA3 -0.305 3.656 3.960 0.002 0.000 0.218 376 G C 1.717 176.597 174.900 -0.034 0.000 1.164 376 G CA 0.818 45.898 45.100 -0.034 0.000 0.768 376 G HN 0.267 nan 8.290 nan 0.000 0.560 377 R N 0.365 120.846 120.500 -0.031 0.000 2.075 377 R HA 0.121 4.462 4.340 0.002 0.000 0.232 377 R C 3.070 179.351 176.300 -0.031 0.000 1.126 377 R CA 1.123 57.206 56.100 -0.028 0.000 0.963 377 R CB -0.382 29.905 30.300 -0.022 0.000 0.858 377 R HN 0.348 nan 8.270 nan 0.000 0.435 378 A N 0.848 123.647 122.820 -0.035 0.000 1.883 378 A HA -0.216 4.105 4.320 0.002 0.000 0.217 378 A C 2.140 179.698 177.584 -0.044 0.000 1.186 378 A CA 1.687 53.700 52.037 -0.041 0.000 0.624 378 A CB -0.456 18.514 19.000 -0.050 0.000 0.822 378 A HN 0.220 nan 8.150 nan 0.000 0.444 379 M N -1.205 118.369 119.600 -0.042 0.000 2.254 379 M HA -0.082 4.399 4.480 0.002 0.000 0.265 379 M C 2.166 178.431 176.300 -0.058 0.000 1.066 379 M CA 1.665 56.937 55.300 -0.047 0.000 1.123 379 M CB -0.581 31.998 32.600 -0.034 0.000 1.388 379 M HN 0.415 nan 8.290 nan 0.000 0.425 380 T N 0.686 115.212 114.554 -0.047 0.000 2.737 380 T HA -0.074 4.277 4.350 0.002 0.000 0.265 380 T C 1.615 176.287 174.700 -0.046 0.000 1.038 380 T CA 1.284 63.357 62.100 -0.044 0.000 1.144 380 T CB -0.318 68.530 68.868 -0.032 0.000 0.866 380 T HN 0.309 nan 8.240 nan 0.000 0.434 381 N N 1.340 120.016 118.700 -0.039 0.000 2.069 381 N HA -0.044 4.697 4.740 0.002 0.000 0.191 381 N C 1.742 177.226 175.510 -0.043 0.000 1.031 381 N CA 0.687 53.716 53.050 -0.034 0.000 0.852 381 N CB -0.758 37.713 38.487 -0.027 0.000 1.018 381 N HN 0.164 nan 8.380 nan 0.000 0.423 382 L N 1.115 122.304 121.223 -0.055 0.000 2.012 382 L HA -0.097 4.244 4.340 0.002 0.000 0.210 382 L C 2.084 178.891 176.870 -0.105 0.000 1.073 382 L CA 1.736 56.537 54.840 -0.066 0.000 0.748 382 L CB -1.116 40.901 42.059 -0.070 0.000 0.891 382 L HN 0.164 nan 8.230 nan 0.000 0.431 383 A N -0.856 121.880 122.820 -0.141 0.000 1.851 383 A HA -0.236 4.085 4.320 0.002 0.000 0.216 383 A C 2.194 179.720 177.584 -0.097 0.000 1.195 383 A CA 2.016 53.952 52.037 -0.168 0.000 0.622 383 A CB -0.674 18.236 19.000 -0.149 0.000 0.831 383 A HN 0.610 nan 8.150 nan 0.000 0.444 384 E N -0.927 119.234 120.200 -0.065 0.000 2.112 384 E HA -0.060 4.291 4.350 0.002 0.000 0.190 384 E C 1.845 178.428 176.600 -0.029 0.000 0.979 384 E CA 0.782 57.157 56.400 -0.042 0.000 0.814 384 E CB -0.041 29.640 29.700 -0.032 0.000 0.762 384 E HN 0.516 nan 8.360 nan 0.000 0.460 385 R N -0.824 119.661 120.500 -0.024 0.000 2.393 385 R HA 0.215 4.556 4.340 0.002 0.000 0.244 385 R C 1.175 177.476 176.300 0.001 0.000 0.920 385 R CA -0.089 56.005 56.100 -0.010 0.000 1.076 385 R CB 0.495 30.790 30.300 -0.008 0.000 1.119 385 R HN 0.153 nan 8.270 nan 0.000 0.524 386 C N -1.871 117.429 119.300 0.000 0.000 3.154 386 C HA 0.139 4.600 4.460 0.002 0.000 0.284 386 C C 2.254 177.275 174.990 0.051 0.000 2.328 386 C CA -0.086 58.950 59.018 0.030 0.000 1.586 386 C CB -0.076 27.684 27.740 0.033 0.000 1.551 386 C HN 0.124 nan 8.230 nan 0.000 0.693 387 V N 2.625 122.557 119.914 0.030 0.000 2.252 387 V HA -0.203 3.918 4.120 0.002 0.000 0.249 387 V C 2.096 178.206 176.094 0.027 0.000 1.056 387 V CA 2.882 65.222 62.300 0.068 0.000 1.022 387 V CB -0.803 30.951 31.823 -0.115 0.000 0.641 387 V HN 0.586 nan 8.190 nan 0.000 0.445 388 D N 0.663 121.046 120.400 -0.027 0.000 2.172 388 D HA -0.150 4.491 4.640 0.002 0.000 0.196 388 D C 1.999 178.289 176.300 -0.018 0.000 0.999 388 D CA 1.826 55.805 54.000 -0.036 0.000 0.856 388 D CB -0.443 40.333 40.800 -0.039 0.000 0.934 388 D HN 0.542 nan 8.370 nan 0.000 0.453 389 G N -0.476 108.331 108.800 0.012 0.000 3.042 389 G HA2 0.136 4.097 3.960 0.002 0.000 0.212 389 G HA3 0.136 4.097 3.960 0.002 0.000 0.212 389 G C 0.692 175.633 174.900 0.068 0.000 1.166 389 G CA -0.359 44.758 45.100 0.029 0.000 0.767 389 G HN 0.181 nan 8.290 nan 0.000 0.546 390 I N 1.257 121.888 120.570 0.102 0.000 2.683 390 I HA 0.075 4.246 4.170 0.002 0.000 0.286 390 I C 0.077 176.341 176.117 0.244 0.000 1.175 390 I CA 0.479 61.880 61.300 0.169 0.000 1.429 390 I CB 0.750 38.895 38.000 0.242 0.000 1.371 390 I HN 0.134 nan 8.210 nan 0.000 0.569 391 E N 4.643 124.944 120.200 0.168 0.000 2.212 391 E HA 0.630 4.981 4.350 0.002 0.000 0.268 391 E C -0.757 175.799 176.600 -0.073 0.000 0.902 391 E CA -0.953 55.532 56.400 0.142 0.000 0.779 391 E CB 1.925 31.675 29.700 0.083 0.000 1.172 391 E HN 0.678 nan 8.360 nan 0.000 0.409 392 A N 2.666 125.322 122.820 -0.273 0.000 2.327 392 A HA 0.197 4.518 4.320 0.002 0.000 0.283 392 A C -0.028 177.449 177.584 -0.179 0.000 1.127 392 A CA -0.539 51.226 52.037 -0.454 0.000 0.810 392 A CB 0.336 18.888 19.000 -0.747 0.000 1.066 392 A HN 0.554 nan 8.150 nan 0.000 0.492 393 N N 3.339 121.957 118.700 -0.136 0.000 2.663 393 N HA 0.118 4.859 4.740 0.002 0.000 0.250 393 N C 0.960 176.425 175.510 -0.075 0.000 1.129 393 N CA -0.162 52.844 53.050 -0.073 0.000 0.995 393 N CB 0.455 38.915 38.487 -0.044 0.000 1.324 393 N HN 0.279 nan 8.380 nan 0.000 0.512 394 V N 3.025 122.898 119.914 -0.067 0.000 2.282 394 V HA -0.294 3.827 4.120 0.002 0.000 0.249 394 V C 2.732 178.806 176.094 -0.034 0.000 1.057 394 V CA 2.780 65.049 62.300 -0.052 0.000 1.032 394 V CB -1.196 30.612 31.823 -0.025 0.000 0.645 394 V HN 0.762 nan 8.190 nan 0.000 0.447 395 E N 0.430 120.616 120.200 -0.024 0.000 2.077 395 E HA -0.299 4.052 4.350 0.002 0.000 0.193 395 E C 2.167 178.756 176.600 -0.018 0.000 0.989 395 E CA 1.702 58.092 56.400 -0.016 0.000 0.800 395 E CB -0.605 29.089 29.700 -0.011 0.000 0.746 395 E HN 0.581 nan 8.360 nan 0.000 0.452 396 R N -0.252 120.235 120.500 -0.021 0.000 2.092 396 R HA -0.019 4.322 4.340 0.002 0.000 0.231 396 R C 2.369 178.656 176.300 -0.021 0.000 1.119 396 R CA 1.633 57.722 56.100 -0.019 0.000 0.970 396 R CB -1.312 28.977 30.300 -0.018 0.000 0.864 396 R HN 0.530 nan 8.270 nan 0.000 0.440 397 C N -0.252 119.029 119.300 -0.032 0.000 2.413 397 C HA -0.124 4.337 4.460 0.002 0.000 0.278 397 C C 3.146 178.123 174.990 -0.022 0.000 1.224 397 C CA 1.814 60.813 59.018 -0.033 0.000 1.732 397 C CB -1.277 26.430 27.740 -0.055 0.000 2.050 397 C HN 0.737 nan 8.230 nan 0.000 0.463 398 R N 0.271 120.759 120.500 -0.020 0.000 2.091 398 R HA 0.010 4.350 4.340 0.002 0.000 0.238 398 R C 2.220 178.514 176.300 -0.010 0.000 1.136 398 R CA 2.228 58.320 56.100 -0.013 0.000 0.959 398 R CB -1.515 28.779 30.300 -0.010 0.000 0.856 398 R HN 0.688 nan 8.270 nan 0.000 0.437 399 A N 0.569 123.383 122.820 -0.011 0.000 1.902 399 A HA 0.112 4.433 4.320 0.002 0.000 0.217 399 A C 2.853 180.432 177.584 -0.008 0.000 1.181 399 A CA 1.710 53.742 52.037 -0.009 0.000 0.623 399 A CB -1.139 17.856 19.000 -0.008 0.000 0.818 399 A HN 0.695 nan 8.150 nan 0.000 0.443 400 G N -0.567 108.228 108.800 -0.009 0.000 2.418 400 G HA2 0.007 3.967 3.960 0.002 0.000 0.217 400 G HA3 0.007 3.967 3.960 0.002 0.000 0.217 400 G C 1.724 176.620 174.900 -0.008 0.000 1.158 400 G CA 1.403 46.498 45.100 -0.008 0.000 0.771 400 G HN 0.811 nan 8.290 nan 0.000 0.545 401 A N 0.549 123.364 122.820 -0.008 0.000 1.969 401 A HA 0.057 4.378 4.320 0.002 0.000 0.218 401 A C 2.131 179.710 177.584 -0.008 0.000 1.169 401 A CA 1.847 53.880 52.037 -0.007 0.000 0.635 401 A CB -0.293 18.703 19.000 -0.007 0.000 0.810 401 A HN 0.436 nan 8.150 nan 0.000 0.445 402 E N -0.721 119.474 120.200 -0.008 0.000 2.152 402 E HA -0.046 4.305 4.350 0.002 0.000 0.192 402 E C 1.885 178.480 176.600 -0.008 0.000 0.983 402 E CA 1.007 57.402 56.400 -0.008 0.000 0.818 402 E CB -0.031 29.665 29.700 -0.007 0.000 0.758 402 E HN 0.740 nan 8.360 nan 0.000 0.467 403 E N 0.843 121.038 120.200 -0.008 0.000 2.437 403 E HA 0.082 4.433 4.350 0.002 0.000 0.189 403 E C 0.509 177.103 176.600 -0.009 0.000 1.054 403 E CA 0.092 56.486 56.400 -0.009 0.000 0.874 403 E CB 0.253 29.949 29.700 -0.007 0.000 1.011 403 E HN 0.022 nan 8.360 nan 0.000 0.474 404 S N 0.567 116.261 115.700 -0.010 0.000 2.488 404 S HA 0.223 4.694 4.470 0.002 0.000 0.278 404 S C 1.211 175.803 174.600 -0.013 0.000 1.259 404 S CA -0.537 57.657 58.200 -0.010 0.000 1.061 404 S CB -0.193 63.002 63.200 -0.009 0.000 0.910 404 S HN 0.419 nan 8.310 nan 0.000 0.491 405 I N 4.637 125.199 120.570 -0.014 0.000 2.614 405 I HA -0.109 4.062 4.170 0.002 0.000 0.258 405 I C 2.522 178.626 176.117 -0.022 0.000 1.189 405 I CA 1.067 62.355 61.300 -0.019 0.000 1.462 405 I CB -1.317 36.672 38.000 -0.018 0.000 1.092 405 I HN 0.799 nan 8.210 nan 0.000 0.442 406 S N 1.440 117.130 115.700 -0.016 0.000 2.440 406 S HA -0.137 4.334 4.470 0.002 0.000 0.238 406 S C 1.966 176.555 174.600 -0.018 0.000 1.010 406 S CA 0.800 58.991 58.200 -0.015 0.000 0.972 406 S CB -0.786 62.409 63.200 -0.008 0.000 0.774 406 S HN 0.462 nan 8.310 nan 0.000 0.501 407 L N 0.989 122.201 121.223 -0.018 0.000 2.191 407 L HA -0.040 4.301 4.340 0.002 0.000 0.212 407 L C 3.108 179.963 176.870 -0.025 0.000 1.103 407 L CA 0.976 55.805 54.840 -0.018 0.000 0.769 407 L CB -0.824 41.226 42.059 -0.016 0.000 0.908 407 L HN 0.495 nan 8.230 nan 0.000 0.438 408 A N -0.495 122.303 122.820 -0.035 0.000 2.024 408 A HA -0.223 4.098 4.320 0.002 0.000 0.220 408 A C 2.308 179.857 177.584 -0.059 0.000 1.164 408 A CA 2.272 54.277 52.037 -0.052 0.000 0.643 408 A CB -0.787 18.172 19.000 -0.069 0.000 0.806 408 A HN 0.389 nan 8.150 nan 0.000 0.451 409 T N 0.182 114.710 114.554 -0.044 0.000 2.788 409 T HA -0.017 4.334 4.350 0.002 0.000 0.268 409 T C 2.086 176.777 174.700 -0.016 0.000 1.044 409 T CA 1.329 63.410 62.100 -0.031 0.000 1.139 409 T CB -0.358 68.505 68.868 -0.010 0.000 0.867 409 T HN 0.624 nan 8.240 nan 0.000 0.454 410 A N 0.764 123.575 122.820 -0.015 0.000 2.178 410 A HA 0.102 4.423 4.320 0.002 0.000 0.218 410 A C 2.049 179.626 177.584 -0.011 0.000 1.157 410 A CA 0.900 52.932 52.037 -0.009 0.000 0.689 410 A CB -0.628 18.367 19.000 -0.008 0.000 0.787 410 A HN 0.516 nan 8.150 nan 0.000 0.465 411 L N -1.104 120.106 121.223 -0.021 0.000 2.529 411 L HA -0.003 4.338 4.340 0.002 0.000 0.223 411 L C 2.103 178.960 176.870 -0.021 0.000 1.113 411 L CA -0.043 54.783 54.840 -0.023 0.000 0.861 411 L CB -0.081 41.957 42.059 -0.034 0.000 1.012 411 L HN 0.182 nan 8.230 nan 0.000 0.461 412 V N 1.228 121.132 119.914 -0.018 0.000 2.252 412 V HA -0.217 3.904 4.120 0.002 0.000 0.249 412 V C -0.151 175.956 176.094 0.022 0.000 1.056 412 V CA 2.252 64.556 62.300 0.006 0.000 1.022 412 V CB -1.504 30.344 31.823 0.041 0.000 0.641 412 V HN 0.390 nan 8.190 nan 0.000 0.445 413 P HA -0.029 nan 4.420 nan 0.000 0.220 413 P C 1.834 179.141 177.300 0.012 0.000 1.152 413 P CA 0.902 64.012 63.100 0.018 0.000 0.812 413 P CB -0.056 31.652 31.700 0.014 0.000 0.792 414 V N 0.084 120.001 119.914 0.005 0.000 2.237 414 V HA -0.152 3.969 4.120 0.002 0.000 0.245 414 V C 2.222 178.317 176.094 0.003 0.000 1.046 414 V CA 2.407 64.709 62.300 0.002 0.000 1.007 414 V CB -1.184 30.637 31.823 -0.003 0.000 0.638 414 V HN 0.059 nan 8.190 nan 0.000 0.445 415 V N -2.845 117.069 119.914 0.001 0.000 3.432 415 V HA 0.773 4.894 4.120 0.002 0.000 0.298 415 V C 0.667 176.767 176.094 0.011 0.000 1.464 415 V CA 0.042 62.343 62.300 0.001 0.000 1.046 415 V CB -0.504 31.314 31.823 -0.008 0.000 0.887 415 V HN 0.967 nan 8.190 nan 0.000 0.441 416 G N -0.016 108.797 108.800 0.022 0.000 2.733 416 G HA2 -0.305 3.656 3.960 0.002 0.000 0.686 416 G HA3 -0.305 3.656 3.960 0.002 0.000 0.686 416 G C -0.240 174.700 174.900 0.067 0.000 1.373 416 G CA 0.215 45.347 45.100 0.054 0.000 0.838 416 G HN 0.581 nan 8.290 nan 0.000 0.588 417 Y N 1.545 121.844 120.300 -0.001 0.000 2.014 417 Y HA -0.062 4.488 4.550 -0.000 0.000 0.270 417 Y C 3.177 179.076 175.900 -0.001 0.000 1.145 417 Y CA 4.170 62.270 58.100 -0.001 0.000 1.106 417 Y CB -0.717 37.742 38.460 -0.001 0.000 0.968 417 Y HN 1.192 nan 8.280 nan 0.000 0.484 418 A N 0.355 123.296 122.820 0.201 0.000 1.884 418 A HA -0.341 3.980 4.320 0.002 0.000 0.219 418 A C 2.362 179.934 177.584 -0.020 0.000 1.197 418 A CA 3.429 55.531 52.037 0.108 0.000 0.637 418 A CB -1.645 17.423 19.000 0.113 0.000 0.827 418 A HN 0.589 nan 8.150 nan 0.000 0.450 419 R N -0.951 119.541 120.500 -0.014 0.000 2.081 419 R HA 0.109 4.450 4.340 0.002 0.000 0.235 419 R C 2.598 178.854 176.300 -0.072 0.000 1.131 419 R CA 2.389 58.470 56.100 -0.032 0.000 0.960 419 R CB -1.772 28.520 30.300 -0.014 0.000 0.856 419 R HN 1.074 nan 8.270 nan 0.000 0.436 420 A N 0.636 123.389 122.820 -0.111 0.000 1.933 420 A HA 0.240 4.561 4.320 0.002 0.000 0.218 420 A C 2.781 180.249 177.584 -0.192 0.000 1.175 420 A CA 1.911 53.861 52.037 -0.145 0.000 0.628 420 A CB -0.730 18.171 19.000 -0.165 0.000 0.814 420 A HN 0.971 nan 8.150 nan 0.000 0.444 421 A N -1.023 121.626 122.820 -0.285 0.000 2.014 421 A HA 0.212 4.533 4.320 0.002 0.000 0.218 421 A C 2.080 179.587 177.584 -0.127 0.000 1.163 421 A CA 1.876 53.751 52.037 -0.270 0.000 0.652 421 A CB -0.752 18.013 19.000 -0.391 0.000 0.808 421 A HN 0.693 nan 8.150 nan 0.000 0.449 422 E N 0.270 120.416 120.200 -0.090 0.000 2.107 422 E HA -0.015 4.336 4.350 0.002 0.000 0.191 422 E C 1.782 178.354 176.600 -0.046 0.000 0.982 422 E CA 1.107 57.477 56.400 -0.049 0.000 0.809 422 E CB -0.785 28.898 29.700 -0.029 0.000 0.756 422 E HN 0.694 nan 8.360 nan 0.000 0.459 423 I N 0.696 121.233 120.570 -0.055 0.000 2.179 423 I HA -0.191 3.980 4.170 0.002 0.000 0.242 423 I C 3.110 179.199 176.117 -0.047 0.000 1.088 423 I CA 1.119 62.391 61.300 -0.046 0.000 1.357 423 I CB -0.352 37.620 38.000 -0.046 0.000 1.051 423 I HN 0.380 nan 8.210 nan 0.000 0.409 424 A N 1.305 124.086 122.820 -0.065 0.000 1.884 424 A HA -0.349 3.972 4.320 0.002 0.000 0.219 424 A C 2.636 180.195 177.584 -0.042 0.000 1.197 424 A CA 3.250 55.252 52.037 -0.058 0.000 0.637 424 A CB -1.164 17.788 19.000 -0.080 0.000 0.827 424 A HN 0.398 nan 8.150 nan 0.000 0.450 425 K N -1.786 118.589 120.400 -0.041 0.000 2.057 425 K HA -0.092 4.229 4.320 0.002 0.000 0.207 425 K C 2.474 179.062 176.600 -0.020 0.000 1.049 425 K CA 2.553 58.824 56.287 -0.026 0.000 0.931 425 K CB -1.739 30.747 32.500 -0.022 0.000 0.714 425 K HN 0.936 nan 8.250 nan 0.000 0.440 426 Q N -0.040 119.746 119.800 -0.022 0.000 2.084 426 Q HA 0.205 4.546 4.340 0.002 0.000 0.202 426 Q C 2.686 178.677 176.000 -0.016 0.000 0.978 426 Q CA 2.384 58.177 55.803 -0.017 0.000 0.844 426 Q CB -1.092 27.635 28.738 -0.017 0.000 0.898 426 Q HN 0.994 nan 8.270 nan 0.000 0.426 427 A N 0.512 123.320 122.820 -0.019 0.000 1.902 427 A HA 0.205 4.526 4.320 0.002 0.000 0.217 427 A C 2.731 180.307 177.584 -0.014 0.000 1.181 427 A CA 2.977 55.004 52.037 -0.016 0.000 0.623 427 A CB -1.131 17.857 19.000 -0.020 0.000 0.818 427 A HN 1.390 nan 8.150 nan 0.000 0.443 428 L N -0.947 120.268 121.223 -0.014 0.000 1.955 428 L HA 0.218 4.559 4.340 0.002 0.000 0.213 428 L C 2.810 179.675 176.870 -0.008 0.000 1.072 428 L CA 2.700 57.534 54.840 -0.011 0.000 0.755 428 L CB -2.123 39.929 42.059 -0.011 0.000 0.888 428 L HN 0.783 nan 8.230 nan 0.000 0.432 429 A N -0.583 122.232 122.820 -0.008 0.000 2.263 429 A HA 0.262 4.583 4.320 0.002 0.000 0.205 429 A C 1.948 179.528 177.584 -0.006 0.000 1.226 429 A CA 1.405 53.438 52.037 -0.006 0.000 0.810 429 A CB -0.685 18.312 19.000 -0.006 0.000 0.784 429 A HN 1.700 nan 8.150 nan 0.000 0.486 430 S N -3.731 111.965 115.700 -0.007 0.000 3.067 430 S HA 0.411 4.882 4.470 0.002 0.000 0.253 430 S C 1.306 175.902 174.600 -0.006 0.000 0.942 430 S CA 0.994 59.190 58.200 -0.006 0.000 1.197 430 S CB -0.499 62.697 63.200 -0.007 0.000 1.143 430 S HN 1.830 nan 8.310 nan 0.000 0.638 431 G N 0.542 109.338 108.800 -0.006 0.000 2.451 431 G HA2 -0.342 3.619 3.960 0.002 0.000 0.253 431 G HA3 -0.342 3.619 3.960 0.002 0.000 0.253 431 G C 0.555 175.451 174.900 -0.007 0.000 1.033 431 G CA 1.186 46.282 45.100 -0.006 0.000 0.633 431 G HN 1.490 nan 8.290 nan 0.000 0.537 432 Q N 0.540 120.336 119.800 -0.007 0.000 2.492 432 Q HA 0.618 4.959 4.340 0.002 0.000 0.238 432 Q C 1.055 177.049 176.000 -0.010 0.000 1.045 432 Q CA 1.214 57.013 55.803 -0.008 0.000 0.934 432 Q CB -0.093 28.640 28.738 -0.008 0.000 1.276 432 Q HN 1.912 nan 8.270 nan 0.000 0.521 433 T N -2.597 111.951 114.554 -0.010 0.000 2.788 433 T HA 0.339 4.690 4.350 0.002 0.000 0.280 433 T C 1.223 175.915 174.700 -0.013 0.000 0.984 433 T CA 0.047 62.141 62.100 -0.011 0.000 0.972 433 T CB 0.729 69.591 68.868 -0.010 0.000 1.039 433 T HN 0.553 nan 8.240 nan 0.000 0.530 434 V N 1.081 120.986 119.914 -0.015 0.000 2.427 434 V HA -0.118 4.003 4.120 0.002 0.000 0.248 434 V C 3.474 179.558 176.094 -0.017 0.000 1.051 434 V CA 2.804 65.093 62.300 -0.019 0.000 1.048 434 V CB -1.460 30.350 31.823 -0.022 0.000 0.666 434 V HN 0.988 nan 8.190 nan 0.000 0.456 435 M N -0.014 119.578 119.600 -0.013 0.000 2.229 435 M HA -0.034 4.447 4.480 0.002 0.000 0.264 435 M C 2.277 178.571 176.300 -0.010 0.000 1.063 435 M CA 2.457 57.751 55.300 -0.011 0.000 1.114 435 M CB -1.787 30.807 32.600 -0.009 0.000 1.387 435 M HN 0.636 nan 8.290 nan 0.000 0.420 436 E N -0.056 120.138 120.200 -0.010 0.000 2.031 436 E HA -0.041 4.310 4.350 0.002 0.000 0.193 436 E C 2.167 178.761 176.600 -0.010 0.000 0.994 436 E CA 1.895 58.289 56.400 -0.009 0.000 0.800 436 E CB -1.313 28.382 29.700 -0.008 0.000 0.752 436 E HN 0.708 nan 8.360 nan 0.000 0.447 437 V N 0.767 120.674 119.914 -0.012 0.000 2.453 437 V HA -0.028 4.093 4.120 0.002 0.000 0.247 437 V C 2.887 178.973 176.094 -0.014 0.000 1.048 437 V CA 1.638 63.930 62.300 -0.013 0.000 1.049 437 V CB -0.549 31.264 31.823 -0.016 0.000 0.672 437 V HN 0.665 nan 8.190 nan 0.000 0.457 438 A N 0.241 123.052 122.820 -0.015 0.000 1.929 438 A HA -0.058 4.263 4.320 0.002 0.000 0.216 438 A C 2.274 179.851 177.584 -0.011 0.000 1.176 438 A CA 1.836 53.864 52.037 -0.014 0.000 0.628 438 A CB -0.778 18.213 19.000 -0.016 0.000 0.816 438 A HN 0.637 nan 8.150 nan 0.000 0.444 439 I N 0.250 120.814 120.570 -0.009 0.000 3.083 439 I HA 0.162 4.333 4.170 0.002 0.000 0.273 439 I C 1.497 177.610 176.117 -0.007 0.000 1.297 439 I CA 1.588 62.884 61.300 -0.007 0.000 1.452 439 I CB -1.893 36.103 38.000 -0.007 0.000 1.078 439 I HN 0.584 nan 8.210 nan 0.000 0.484 440 S N 0.000 115.695 115.700 -0.008 0.000 2.498 440 S HA 0.000 4.471 4.470 0.002 0.000 0.327 440 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 440 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 440 S HN 0.000 nan 8.310 nan 0.000 0.517