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 3obk_1_C DATA FIRST_RESID 5 DATA SEQUENCE GPLDNNNYGE VWLPIQARPR RNRKNRAVRQ LVQENLVKPS SLIYPLFVHD DATA SEQUENCE EETSVPIPSM PGQSRLSMED LLKEVGEARS YGIKAFMLFP KVDDELKSVM DATA SEQUENCE AEESYNPDGL LPRAIMALKE AFPDVLLLAD VALDPYSSMG HDGVVDEQSG DATA SEQUENCE KIVNDLTVHQ LCKQAITLAR AGADMVCPSD MMDGRVSAIR ESLDMEGCTD DATA SEQUENCE TSILAYSCKY ASSFYGPFRD ALDSHMVGGT DKKTYQMDPS NSREAEREAE DATA SEQUENCE ADASEGADML MVKPGLPYLD VLAKIREKSK LPMVAYHVSG EYAMLKAAAE DATA SEQUENCE KGYISEKDTV LEVLKSFRRA GADAVATYYA KEAAKWMVED MKGTQKFTEP DATA SEQUENCE CY 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 5 G C 0.000 174.866 174.900 -0.056 0.000 0.946 5 G CA 0.000 45.077 45.100 -0.038 0.000 0.502 6 P HA 0.231 nan 4.420 nan 0.000 0.225 6 P C 0.527 177.751 177.300 -0.126 0.000 1.156 6 P CA 0.306 63.352 63.100 -0.091 0.000 0.787 6 P CB 0.236 31.889 31.700 -0.077 0.000 0.802 7 L N 0.421 121.586 121.223 -0.096 0.000 2.371 7 L HA 0.284 4.624 4.340 -0.000 0.000 0.272 7 L C 0.657 177.466 176.870 -0.102 0.000 1.124 7 L CA -0.160 54.619 54.840 -0.102 0.000 0.816 7 L CB 0.359 42.392 42.059 -0.042 0.000 1.129 7 L HN -0.039 nan 8.230 nan 0.000 0.448 8 D N 1.223 121.543 120.400 -0.133 0.000 2.689 8 D HA 0.395 5.035 4.640 -0.000 0.000 0.255 8 D C -1.087 175.281 176.300 0.112 0.000 1.113 8 D CA -0.616 53.352 54.000 -0.052 0.000 1.115 8 D CB 1.605 42.308 40.800 -0.162 0.000 1.334 8 D HN 0.454 nan 8.370 nan 0.000 0.621 9 N N 0.169 118.996 118.700 0.213 0.000 2.284 9 N HA 0.297 5.037 4.740 -0.000 0.000 0.300 9 N C -0.377 175.355 175.510 0.369 0.000 1.047 9 N CA -0.767 52.440 53.050 0.261 0.000 0.821 9 N CB 1.466 40.035 38.487 0.137 0.000 1.337 9 N HN 0.365 nan 8.380 nan 0.000 0.482 10 N N 0.874 119.733 118.700 0.265 0.000 2.294 10 N HA 0.069 4.809 4.740 -0.000 0.000 0.275 10 N C 0.245 175.702 175.510 -0.087 0.000 1.291 10 N CA -0.010 53.015 53.050 -0.042 0.000 0.933 10 N CB 0.121 38.439 38.487 -0.281 0.000 1.096 10 N HN 0.331 nan 8.380 nan 0.000 0.525 11 N N -2.142 116.404 118.700 -0.257 0.000 2.550 11 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 11 N C -0.356 174.810 175.510 -0.573 0.000 1.110 11 N CA 0.680 53.476 53.050 -0.424 0.000 0.912 11 N CB -0.285 37.849 38.487 -0.587 0.000 0.968 11 N HN 0.502 nan 8.380 nan 0.000 0.448 12 Y N -1.241 119.038 120.300 -0.037 0.000 2.716 12 Y HA 0.373 4.923 4.550 -0.000 0.000 0.260 12 Y C 1.497 177.396 175.900 -0.001 0.000 1.141 12 Y CA -0.472 57.615 58.100 -0.021 0.000 1.168 12 Y CB 0.312 38.752 38.460 -0.033 0.000 1.189 12 Y HN -0.007 nan 8.280 nan 0.000 0.549 13 G N 0.179 109.037 108.800 0.096 0.000 2.175 13 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.265 13 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.265 13 G C 0.136 175.095 174.900 0.098 0.000 0.979 13 G CA 0.227 45.379 45.100 0.087 0.000 0.663 13 G HN 0.444 nan 8.290 nan 0.000 0.533 14 E N -0.094 120.176 120.200 0.116 0.000 2.331 14 E HA 0.417 4.767 4.350 -0.000 0.000 0.272 14 E C 0.840 177.525 176.600 0.141 0.000 1.036 14 E CA -0.714 55.750 56.400 0.107 0.000 0.864 14 E CB 1.635 31.390 29.700 0.093 0.000 1.035 14 E HN 0.109 nan 8.360 nan 0.000 0.408 15 V N 3.307 123.295 119.914 0.124 0.000 2.720 15 V HA -0.120 4.000 4.120 -0.000 0.000 0.307 15 V C -0.453 175.789 176.094 0.247 0.000 1.071 15 V CA 0.776 63.163 62.300 0.144 0.000 1.199 15 V CB -0.243 31.634 31.823 0.091 0.000 0.900 15 V HN 0.617 nan 8.190 nan 0.000 0.494 16 W N 6.946 128.254 121.300 0.013 0.000 3.042 16 W HA 0.592 5.252 4.660 0.000 0.000 0.337 16 W C -1.749 174.773 176.519 0.006 0.000 1.086 16 W CA -1.568 55.784 57.345 0.012 0.000 1.236 16 W CB 1.510 30.979 29.460 0.014 0.000 1.381 16 W HN 0.425 nan 8.180 nan 0.000 0.472 17 L N 10.024 131.183 121.223 -0.107 0.000 2.277 17 L HA 0.598 4.938 4.340 -0.000 0.000 0.284 17 L C -1.947 174.640 176.870 -0.471 0.000 1.028 17 L CA -2.130 52.538 54.840 -0.287 0.000 0.835 17 L CB 1.158 43.174 42.059 -0.072 0.000 1.215 17 L HN 0.240 nan 8.230 nan 0.000 0.425 18 P HA 0.147 nan 4.420 nan 0.000 0.225 18 P C -0.293 176.905 177.300 -0.171 0.000 1.768 18 P CA -0.072 62.630 63.100 -0.662 0.000 0.943 18 P CB -0.786 30.344 31.700 -0.950 0.000 1.936 19 I N -3.149 117.395 120.570 -0.044 0.000 2.472 19 I HA 0.229 4.398 4.170 -0.000 0.000 0.290 19 I C 1.109 177.268 176.117 0.070 0.000 1.016 19 I CA -0.432 60.871 61.300 0.005 0.000 1.348 19 I CB 1.132 39.134 38.000 0.003 0.000 1.417 19 I HN -0.116 nan 8.210 nan 0.000 0.521 20 Q N 4.360 124.190 119.800 0.051 0.000 2.061 20 Q HA 0.149 4.489 4.340 -0.000 0.000 0.195 20 Q C 0.873 176.905 176.000 0.054 0.000 0.967 20 Q CA 0.999 56.842 55.803 0.065 0.000 0.829 20 Q CB 0.029 28.795 28.738 0.047 0.000 0.900 20 Q HN 0.893 nan 8.270 nan 0.000 0.450 21 A N 1.712 124.554 122.820 0.036 0.000 2.362 21 A HA 0.348 4.668 4.320 -0.000 0.000 0.276 21 A C -0.395 177.207 177.584 0.031 0.000 1.153 21 A CA -0.105 51.950 52.037 0.029 0.000 0.813 21 A CB 0.191 19.202 19.000 0.018 0.000 1.081 21 A HN 0.155 nan 8.150 nan 0.000 0.507 22 R N 3.514 124.034 120.500 0.032 0.000 2.415 22 R HA 0.260 4.600 4.340 -0.000 0.000 0.292 22 R C -2.225 174.088 176.300 0.021 0.000 1.295 22 R CA -1.505 54.614 56.100 0.030 0.000 1.137 22 R CB 1.339 31.664 30.300 0.041 0.000 1.135 22 R HN 0.465 nan 8.270 nan 0.000 0.560 23 P HA -0.167 nan 4.420 nan 0.000 0.217 23 P C 0.806 178.111 177.300 0.008 0.000 1.148 23 P CA 1.111 64.216 63.100 0.009 0.000 0.828 23 P CB 0.248 31.951 31.700 0.005 0.000 0.783 24 R N -0.571 119.935 120.500 0.010 0.000 2.159 24 R HA -0.103 4.236 4.340 -0.000 0.000 0.237 24 R C 2.340 178.645 176.300 0.009 0.000 1.131 24 R CA 1.022 57.127 56.100 0.009 0.000 0.982 24 R CB -0.375 29.932 30.300 0.011 0.000 0.868 24 R HN 0.261 nan 8.270 nan 0.000 0.453 25 R N 0.388 120.896 120.500 0.012 0.000 2.105 25 R HA -0.083 4.257 4.340 -0.000 0.000 0.239 25 R C 1.250 177.554 176.300 0.007 0.000 1.135 25 R CA 1.181 57.288 56.100 0.010 0.000 0.967 25 R CB -0.221 30.087 30.300 0.013 0.000 0.861 25 R HN 0.224 nan 8.270 nan 0.000 0.442 26 N N 0.663 119.366 118.700 0.006 0.000 2.515 26 N HA -0.049 4.691 4.740 -0.000 0.000 0.191 26 N C 0.529 176.040 175.510 0.002 0.000 1.182 26 N CA 0.677 53.729 53.050 0.003 0.000 0.879 26 N CB 0.225 38.714 38.487 0.003 0.000 0.984 26 N HN 0.268 nan 8.380 nan 0.000 0.453 27 R N -0.600 119.901 120.500 0.002 0.000 2.508 27 R HA 0.219 4.559 4.340 -0.000 0.000 0.300 27 R C 1.284 177.584 176.300 -0.000 0.000 0.970 27 R CA -0.207 55.893 56.100 -0.000 0.000 1.102 27 R CB 0.501 30.800 30.300 -0.002 0.000 1.246 27 R HN 0.018 nan 8.270 nan 0.000 0.539 28 K N 1.561 121.962 120.400 0.001 0.000 2.103 28 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 28 K C 0.120 176.720 176.600 -0.000 0.000 1.048 28 K CA 1.841 58.128 56.287 0.001 0.000 0.930 28 K CB 0.052 32.553 32.500 0.002 0.000 0.716 28 K HN 0.274 nan 8.250 nan 0.000 0.444 29 N N -3.338 115.363 118.700 0.000 0.000 3.046 29 N HA 0.077 4.817 4.740 -0.000 0.000 0.243 29 N C -0.165 175.346 175.510 0.002 0.000 1.452 29 N CA -0.868 52.182 53.050 0.000 0.000 0.882 29 N CB 0.709 39.196 38.487 -0.000 0.000 1.425 29 N HN -0.230 nan 8.380 nan 0.000 0.517 30 R N -0.073 120.429 120.500 0.003 0.000 2.096 30 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 30 R C 1.675 177.979 176.300 0.006 0.000 1.139 30 R CA 2.280 58.383 56.100 0.006 0.000 0.952 30 R CB -0.794 29.512 30.300 0.010 0.000 0.854 30 R HN 0.697 nan 8.270 nan 0.000 0.436 31 A N 0.176 122.999 122.820 0.005 0.000 1.892 31 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 31 A C 2.301 179.887 177.584 0.003 0.000 1.188 31 A CA 2.000 54.039 52.037 0.004 0.000 0.631 31 A CB -0.744 18.258 19.000 0.003 0.000 0.822 31 A HN 0.261 nan 8.150 nan 0.000 0.447 32 V N -0.042 119.873 119.914 0.002 0.000 2.307 32 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 32 V C 2.617 178.712 176.094 0.002 0.000 1.045 32 V CA 2.174 64.475 62.300 0.002 0.000 1.024 32 V CB -0.839 30.985 31.823 0.002 0.000 0.651 32 V HN 0.529 nan 8.190 nan 0.000 0.449 33 R N -0.273 120.228 120.500 0.002 0.000 2.105 33 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 33 R C 2.363 178.665 176.300 0.003 0.000 1.135 33 R CA 1.620 57.721 56.100 0.002 0.000 0.967 33 R CB -0.329 29.972 30.300 0.002 0.000 0.861 33 R HN 0.626 nan 8.270 nan 0.000 0.442 34 Q N 0.448 120.251 119.800 0.004 0.000 2.123 34 Q HA -0.058 4.282 4.340 -0.000 0.000 0.199 34 Q C 2.296 178.296 176.000 0.001 0.000 0.966 34 Q CA 0.873 56.678 55.803 0.004 0.000 0.845 34 Q CB -0.032 28.709 28.738 0.006 0.000 0.907 34 Q HN 0.349 nan 8.270 nan 0.000 0.439 35 L N 0.421 121.645 121.223 0.001 0.000 2.043 35 L HA -0.173 4.166 4.340 -0.000 0.000 0.212 35 L C 2.115 178.983 176.870 -0.003 0.000 1.075 35 L CA 1.317 56.156 54.840 -0.001 0.000 0.752 35 L CB -0.338 41.722 42.059 0.000 0.000 0.891 35 L HN 0.255 nan 8.230 nan 0.000 0.432 36 V N -3.271 116.642 119.914 -0.002 0.000 3.444 36 V HA 0.111 4.231 4.120 -0.000 0.000 0.308 36 V C 0.787 176.879 176.094 -0.004 0.000 1.371 36 V CA -0.372 61.926 62.300 -0.003 0.000 1.141 36 V CB -0.220 31.602 31.823 -0.001 0.000 1.037 36 V HN 0.340 nan 8.190 nan 0.000 0.433 37 Q N 1.093 120.891 119.800 -0.003 0.000 2.286 37 Q HA 0.132 4.471 4.340 -0.000 0.000 0.267 37 Q C 0.806 176.803 176.000 -0.006 0.000 1.028 37 Q CA 0.170 55.971 55.803 -0.003 0.000 0.901 37 Q CB 1.019 29.758 28.738 0.000 0.000 1.183 37 Q HN 0.688 nan 8.270 nan 0.000 0.392 38 E N 2.870 123.067 120.200 -0.005 0.000 2.216 38 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 38 E C -0.232 176.363 176.600 -0.007 0.000 0.988 38 E CA 0.587 56.983 56.400 -0.007 0.000 0.834 38 E CB 0.372 30.068 29.700 -0.005 0.000 0.772 38 E HN 0.558 nan 8.360 nan 0.000 0.479 39 N N 0.092 118.790 118.700 -0.003 0.000 2.242 39 N HA 0.390 5.130 4.740 -0.000 0.000 0.292 39 N C -1.237 174.275 175.510 0.004 0.000 1.125 39 N CA -0.397 52.653 53.050 -0.000 0.000 0.783 39 N CB 2.348 40.838 38.487 0.005 0.000 1.558 39 N HN -0.109 nan 8.380 nan 0.000 0.472 40 L N 0.961 122.186 121.223 0.003 0.000 2.370 40 L HA 0.627 4.966 4.340 -0.000 0.000 0.266 40 L C -0.537 176.342 176.870 0.016 0.000 1.002 40 L CA -1.053 53.792 54.840 0.009 0.000 0.818 40 L CB 2.397 44.453 42.059 -0.006 0.000 1.325 40 L HN 0.100 nan 8.230 nan 0.000 0.418 41 V N 1.888 121.821 119.914 0.032 0.000 2.483 41 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 41 V C -0.367 175.744 176.094 0.029 0.000 1.035 41 V CA -0.659 61.662 62.300 0.034 0.000 0.896 41 V CB 1.775 33.633 31.823 0.059 0.000 0.986 41 V HN 0.820 nan 8.190 nan 0.000 0.447 42 K N 3.439 123.846 120.400 0.011 0.000 2.477 42 K HA 0.633 4.953 4.320 -0.000 0.000 0.255 42 K C -2.718 173.877 176.600 -0.008 0.000 0.952 42 K CA -1.817 54.473 56.287 0.005 0.000 0.826 42 K CB 2.161 34.659 32.500 -0.004 0.000 1.331 42 K HN 0.135 nan 8.250 nan 0.000 0.437 43 P HA -0.216 nan 4.420 nan 0.000 0.216 43 P C 0.935 178.197 177.300 -0.063 0.000 1.150 43 P CA 1.507 64.587 63.100 -0.033 0.000 0.837 43 P CB 0.105 31.795 31.700 -0.016 0.000 0.786 44 S N -2.364 113.305 115.700 -0.051 0.000 2.607 44 S HA 0.047 4.517 4.470 -0.000 0.000 0.224 44 S C 1.534 176.087 174.600 -0.079 0.000 0.969 44 S CA 0.498 58.658 58.200 -0.067 0.000 0.927 44 S CB -0.934 62.242 63.200 -0.040 0.000 0.772 44 S HN -0.033 nan 8.310 nan 0.000 0.533 45 S N 0.981 116.638 115.700 -0.073 0.000 2.575 45 S HA 0.394 4.864 4.470 -0.000 0.000 0.215 45 S C 0.242 174.771 174.600 -0.118 0.000 0.966 45 S CA -0.280 57.870 58.200 -0.084 0.000 0.911 45 S CB -0.193 62.973 63.200 -0.057 0.000 0.780 45 S HN 0.479 nan 8.310 nan 0.000 0.514 46 L N 1.780 122.920 121.223 -0.138 0.000 2.309 46 L HA 0.577 4.916 4.340 -0.000 0.000 0.282 46 L C -0.565 176.166 176.870 -0.232 0.000 1.036 46 L CA -0.568 54.169 54.840 -0.173 0.000 0.806 46 L CB 1.497 43.467 42.059 -0.148 0.000 1.220 46 L HN 0.074 nan 8.230 nan 0.000 0.429 47 I N 2.551 122.966 120.570 -0.258 0.000 2.378 47 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 47 I C -1.061 174.910 176.117 -0.244 0.000 0.992 47 I CA -0.676 60.446 61.300 -0.297 0.000 1.154 47 I CB 1.622 39.434 38.000 -0.312 0.000 1.315 47 I HN 0.410 nan 8.210 nan 0.000 0.448 48 Y N 9.488 129.533 120.300 -0.424 0.000 2.434 48 Y HA 0.492 5.042 4.550 -0.000 0.000 0.341 48 Y C -2.597 173.180 175.900 -0.205 0.000 0.965 48 Y CA -3.574 54.349 58.100 -0.294 0.000 1.205 48 Y CB 0.922 39.252 38.460 -0.217 0.000 1.121 48 Y HN 0.306 nan 8.280 nan 0.000 0.507 49 P HA 0.409 nan 4.420 nan 0.000 0.292 49 P C -1.108 175.970 177.300 -0.370 0.000 1.287 49 P CA -0.102 62.828 63.100 -0.284 0.000 0.800 49 P CB 1.581 33.143 31.700 -0.230 0.000 0.945 50 L N 3.048 124.038 121.223 -0.389 0.000 2.354 50 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 50 L C -0.591 176.011 176.870 -0.447 0.000 1.008 50 L CA -0.893 53.675 54.840 -0.453 0.000 0.819 50 L CB 1.551 43.401 42.059 -0.349 0.000 1.339 50 L HN 0.208 nan 8.230 nan 0.000 0.420 51 F N 1.506 121.487 119.950 0.052 0.000 2.444 51 F HA 0.576 5.103 4.527 -0.000 0.000 0.342 51 F C 0.059 175.835 175.800 -0.040 0.000 1.121 51 F CA -0.767 57.247 58.000 0.024 0.000 0.997 51 F CB 1.768 40.726 39.000 -0.069 0.000 1.130 51 F HN -0.009 nan 8.300 nan 0.000 0.454 52 V N 4.708 124.713 119.914 0.153 0.000 2.628 52 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 52 V C -0.846 175.345 176.094 0.162 0.000 1.045 52 V CA -0.338 62.027 62.300 0.108 0.000 0.905 52 V CB 1.734 33.606 31.823 0.081 0.000 0.997 52 V HN 0.988 nan 8.190 nan 0.000 0.436 53 H N 1.753 120.844 119.070 0.034 0.000 2.946 53 H HA 0.555 5.111 4.556 -0.000 0.000 0.365 53 H C -1.118 174.215 175.328 0.009 0.000 1.197 53 H CA -1.021 55.034 56.048 0.011 0.000 1.131 53 H CB 2.146 31.903 29.762 -0.008 0.000 1.849 53 H HN 0.451 nan 8.280 nan 0.000 0.555 54 D N 1.068 121.449 120.400 -0.031 0.000 3.168 54 D HA 0.133 4.773 4.640 -0.000 0.000 0.255 54 D C -0.572 175.610 176.300 -0.197 0.000 1.314 54 D CA 0.059 54.014 54.000 -0.075 0.000 0.900 54 D CB 0.004 40.782 40.800 -0.037 0.000 1.072 54 D HN 0.423 nan 8.370 nan 0.000 0.487 55 E N -0.420 119.576 120.200 -0.340 0.000 2.393 55 E HA 0.176 4.526 4.350 -0.000 0.000 0.265 55 E C 0.525 177.044 176.600 -0.136 0.000 0.941 55 E CA -0.606 55.590 56.400 -0.341 0.000 0.801 55 E CB 1.225 30.523 29.700 -0.671 0.000 1.313 55 E HN -0.095 nan 8.360 nan 0.000 0.435 56 E N 0.154 120.307 120.200 -0.078 0.000 2.076 56 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 56 E C 0.001 176.620 176.600 0.031 0.000 0.979 56 E CA 1.145 57.536 56.400 -0.015 0.000 0.807 56 E CB 0.261 29.953 29.700 -0.014 0.000 0.761 56 E HN 0.299 nan 8.360 nan 0.000 0.454 57 T N -0.375 114.211 114.554 0.052 0.000 2.945 57 T HA 0.467 4.817 4.350 -0.000 0.000 0.286 57 T C -0.291 174.532 174.700 0.205 0.000 1.025 57 T CA -0.738 61.418 62.100 0.094 0.000 1.039 57 T CB 1.801 70.707 68.868 0.063 0.000 1.068 57 T HN -0.131 nan 8.240 nan 0.000 0.497 58 S N 0.940 116.724 115.700 0.140 0.000 2.610 58 S HA 0.619 5.089 4.470 -0.000 0.000 0.273 58 S C -0.559 174.073 174.600 0.053 0.000 1.274 58 S CA -0.675 57.580 58.200 0.092 0.000 1.023 58 S CB 0.883 64.107 63.200 0.041 0.000 0.962 58 S HN 0.461 nan 8.310 nan 0.000 0.523 59 V N 4.317 124.216 119.914 -0.026 0.000 2.569 59 V HA 0.358 4.478 4.120 -0.000 0.000 0.301 59 V C -2.471 173.587 176.094 -0.061 0.000 1.044 59 V CA -2.017 60.273 62.300 -0.018 0.000 0.874 59 V CB 1.823 33.656 31.823 0.016 0.000 1.002 59 V HN 0.643 nan 8.190 nan 0.000 0.424 60 P HA 0.234 nan 4.420 nan 0.000 0.267 60 P C -0.550 176.709 177.300 -0.068 0.000 1.200 60 P CA 0.083 63.163 63.100 -0.032 0.000 0.772 60 P CB 0.545 32.241 31.700 -0.006 0.000 0.855 61 I N 4.538 125.055 120.570 -0.087 0.000 2.291 61 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 61 I C -1.516 174.560 176.117 -0.069 0.000 1.050 61 I CA -1.888 59.334 61.300 -0.131 0.000 1.245 61 I CB 1.327 39.190 38.000 -0.228 0.000 1.405 61 I HN 0.252 nan 8.210 nan 0.000 0.478 62 P HA -0.126 nan 4.420 nan 0.000 0.221 62 P C 1.283 178.575 177.300 -0.013 0.000 1.150 62 P CA 0.919 64.004 63.100 -0.024 0.000 0.800 62 P CB 0.189 31.875 31.700 -0.024 0.000 0.787 63 S N -2.424 113.262 115.700 -0.023 0.000 2.593 63 S HA 0.159 4.629 4.470 -0.000 0.000 0.217 63 S C 0.829 175.444 174.600 0.026 0.000 0.966 63 S CA 0.056 58.255 58.200 -0.000 0.000 0.914 63 S CB -0.770 62.431 63.200 0.001 0.000 0.776 63 S HN 0.026 nan 8.310 nan 0.000 0.523 64 M N 2.239 121.856 119.600 0.029 0.000 2.236 64 M HA 0.392 4.871 4.480 -0.000 0.000 0.228 64 M C -3.068 173.350 176.300 0.197 0.000 0.906 64 M CA -1.882 53.504 55.300 0.144 0.000 0.761 64 M CB 1.612 34.222 32.600 0.017 0.000 1.439 64 M HN -0.147 nan 8.290 nan 0.000 0.394 65 P HA 0.112 nan 4.420 nan 0.000 0.262 65 P C 0.959 178.362 177.300 0.171 0.000 1.199 65 P CA 1.182 64.338 63.100 0.092 0.000 0.763 65 P CB 0.610 32.320 31.700 0.016 0.000 0.790 66 G N 1.593 110.477 108.800 0.140 0.000 2.213 66 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.226 66 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.226 66 G C 0.021 175.012 174.900 0.153 0.000 0.992 66 G CA -0.412 44.781 45.100 0.154 0.000 0.632 66 G HN 0.500 nan 8.290 nan 0.000 0.511 67 Q N 0.501 120.383 119.800 0.138 0.000 2.226 67 Q HA 0.806 5.146 4.340 -0.000 0.000 0.256 67 Q C -0.238 175.801 176.000 0.064 0.000 0.962 67 Q CA -0.160 55.705 55.803 0.104 0.000 0.887 67 Q CB 1.852 30.631 28.738 0.067 0.000 1.282 67 Q HN 0.314 nan 8.270 nan 0.000 0.449 68 S N 0.297 116.041 115.700 0.073 0.000 2.627 68 S HA 0.501 4.971 4.470 -0.000 0.000 0.283 68 S C -0.705 173.885 174.600 -0.017 0.000 1.127 68 S CA -0.943 57.256 58.200 -0.002 0.000 0.863 68 S CB 1.541 64.738 63.200 -0.005 0.000 1.121 68 S HN 0.361 nan 8.310 nan 0.000 0.479 69 R N 1.497 121.887 120.500 -0.183 0.000 2.309 69 R HA 0.247 4.587 4.340 -0.000 0.000 0.331 69 R C -0.689 175.369 176.300 -0.403 0.000 1.116 69 R CA -0.041 55.849 56.100 -0.351 0.000 0.970 69 R CB -0.408 29.494 30.300 -0.664 0.000 1.024 69 R HN 0.426 nan 8.270 nan 0.000 0.472 70 L N 2.555 123.690 121.223 -0.147 0.000 2.380 70 L HA 0.092 4.432 4.340 -0.000 0.000 0.273 70 L C 1.061 177.978 176.870 0.079 0.000 1.138 70 L CA -0.206 54.613 54.840 -0.035 0.000 0.832 70 L CB 0.939 43.005 42.059 0.011 0.000 1.124 70 L HN 0.662 nan 8.230 nan 0.000 0.454 71 S N 2.300 118.096 115.700 0.160 0.000 2.589 71 S HA 0.042 4.512 4.470 -0.000 0.000 0.265 71 S C 0.879 175.542 174.600 0.107 0.000 1.342 71 S CA -0.610 57.705 58.200 0.192 0.000 1.005 71 S CB 0.835 64.114 63.200 0.131 0.000 0.909 71 S HN 0.689 nan 8.310 nan 0.000 0.555 72 M N 1.125 120.773 119.600 0.081 0.000 2.080 72 M HA -0.124 4.355 4.480 -0.000 0.000 0.260 72 M C 2.158 178.481 176.300 0.038 0.000 1.068 72 M CA 2.358 57.688 55.300 0.050 0.000 1.109 72 M CB -1.028 31.591 32.600 0.032 0.000 1.342 72 M HN 0.975 nan 8.290 nan 0.000 0.405 73 E N -1.013 119.208 120.200 0.035 0.000 2.153 73 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 73 E C 1.144 177.768 176.600 0.040 0.000 0.988 73 E CA 1.715 58.133 56.400 0.030 0.000 0.811 73 E CB -0.240 29.474 29.700 0.023 0.000 0.746 73 E HN 0.517 nan 8.360 nan 0.000 0.466 74 D N 0.353 120.781 120.400 0.046 0.000 2.194 74 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 74 D C 1.874 178.197 176.300 0.038 0.000 0.964 74 D CA 0.345 54.373 54.000 0.047 0.000 0.846 74 D CB -0.145 40.685 40.800 0.051 0.000 0.962 74 D HN 0.190 nan 8.370 nan 0.000 0.490 75 L N 0.816 122.057 121.223 0.031 0.000 1.990 75 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 75 L C 2.033 178.904 176.870 0.001 0.000 1.072 75 L CA 1.623 56.464 54.840 0.002 0.000 0.755 75 L CB -0.671 41.389 42.059 0.002 0.000 0.889 75 L HN 0.042 nan 8.230 nan 0.000 0.432 76 L N -0.391 120.862 121.223 0.050 0.000 2.042 76 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 76 L C 2.956 179.917 176.870 0.152 0.000 1.076 76 L CA 2.161 57.087 54.840 0.143 0.000 0.749 76 L CB -1.404 40.719 42.059 0.107 0.000 0.893 76 L HN 0.402 nan 8.230 nan 0.000 0.432 77 K N 0.404 120.858 120.400 0.089 0.000 2.097 77 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 77 K C 1.927 178.557 176.600 0.050 0.000 1.049 77 K CA 1.780 58.116 56.287 0.081 0.000 0.933 77 K CB -0.656 31.882 32.500 0.063 0.000 0.717 77 K HN 0.349 nan 8.250 nan 0.000 0.442 78 E N 0.222 120.442 120.200 0.034 0.000 2.046 78 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 78 E C 1.960 178.561 176.600 0.001 0.000 0.982 78 E CA 1.240 57.675 56.400 0.058 0.000 0.800 78 E CB -0.246 29.495 29.700 0.069 0.000 0.756 78 E HN 0.181 nan 8.360 nan 0.000 0.449 79 V N 0.519 120.313 119.914 -0.200 0.000 2.324 79 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 79 V C 2.273 178.007 176.094 -0.600 0.000 1.060 79 V CA 2.067 64.005 62.300 -0.603 0.000 1.042 79 V CB -1.156 30.121 31.823 -0.910 0.000 0.650 79 V HN 0.526 nan 8.190 nan 0.000 0.450 80 G N -1.120 107.401 108.800 -0.464 0.000 2.418 80 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 80 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 80 G C 1.550 176.349 174.900 -0.169 0.000 1.158 80 G CA 0.915 45.817 45.100 -0.329 0.000 0.771 80 G HN 0.561 nan 8.290 nan 0.000 0.545 81 E N 0.449 120.604 120.200 -0.075 0.000 2.051 81 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 81 E C 2.794 179.358 176.600 -0.060 0.000 0.991 81 E CA 0.970 57.328 56.400 -0.070 0.000 0.799 81 E CB -0.211 29.522 29.700 0.055 0.000 0.748 81 E HN 0.338 nan 8.360 nan 0.000 0.449 82 A N 1.026 123.905 122.820 0.099 0.000 1.969 82 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 82 A C 2.122 179.792 177.584 0.144 0.000 1.169 82 A CA 1.227 53.392 52.037 0.214 0.000 0.635 82 A CB -0.371 18.891 19.000 0.437 0.000 0.810 82 A HN 0.154 nan 8.150 nan 0.000 0.445 83 R N 0.364 120.902 120.500 0.063 0.000 2.073 83 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 83 R C 2.574 178.835 176.300 -0.066 0.000 1.134 83 R CA 1.728 57.830 56.100 0.003 0.000 0.952 83 R CB -0.418 29.809 30.300 -0.120 0.000 0.850 83 R HN 0.710 nan 8.270 nan 0.000 0.433 84 S N -0.227 115.363 115.700 -0.183 0.000 2.440 84 S HA -0.169 4.300 4.470 -0.000 0.000 0.238 84 S C 1.253 175.683 174.600 -0.284 0.000 1.010 84 S CA 1.046 59.083 58.200 -0.271 0.000 0.972 84 S CB -0.285 62.670 63.200 -0.408 0.000 0.774 84 S HN 0.338 nan 8.310 nan 0.000 0.501 85 Y N 1.477 121.767 120.300 -0.016 0.000 2.457 85 Y HA 0.471 5.021 4.550 -0.000 0.000 0.263 85 Y C 1.962 177.840 175.900 -0.036 0.000 1.164 85 Y CA -0.724 57.358 58.100 -0.030 0.000 1.274 85 Y CB -0.087 38.339 38.460 -0.057 0.000 1.097 85 Y HN 0.412 nan 8.280 nan 0.000 0.523 86 G N -0.209 108.637 108.800 0.076 0.000 2.179 86 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.220 86 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.220 86 G C -0.009 174.885 174.900 -0.009 0.000 0.990 86 G CA -0.351 44.768 45.100 0.031 0.000 0.646 86 G HN 0.072 nan 8.290 nan 0.000 0.517 87 I N 0.670 121.227 120.570 -0.021 0.000 2.588 87 I HA 0.227 4.396 4.170 -0.000 0.000 0.283 87 I C 1.249 177.272 176.117 -0.156 0.000 1.119 87 I CA 0.771 61.983 61.300 -0.147 0.000 1.419 87 I CB 1.174 39.041 38.000 -0.222 0.000 1.394 87 I HN 0.152 nan 8.210 nan 0.000 0.562 88 K N 3.725 123.975 120.400 -0.249 0.000 2.464 88 K HA 0.323 4.643 4.320 -0.000 0.000 0.206 88 K C 0.130 176.602 176.600 -0.214 0.000 1.186 88 K CA 0.065 56.275 56.287 -0.128 0.000 0.990 88 K CB 1.113 33.583 32.500 -0.050 0.000 1.003 88 K HN 0.688 nan 8.250 nan 0.000 0.562 89 A N 1.188 123.709 122.820 -0.499 0.000 2.318 89 A HA 0.706 5.026 4.320 -0.000 0.000 0.317 89 A C -1.222 175.969 177.584 -0.655 0.000 1.159 89 A CA -0.465 51.356 52.037 -0.361 0.000 0.799 89 A CB 0.337 19.191 19.000 -0.244 0.000 1.194 89 A HN 0.067 nan 8.150 nan 0.000 0.479 90 F N 1.346 121.243 119.950 -0.088 0.000 2.529 90 F HA 0.575 5.102 4.527 -0.000 0.000 0.320 90 F C 0.175 175.867 175.800 -0.179 0.000 1.118 90 F CA -0.411 57.517 58.000 -0.121 0.000 0.915 90 F CB 2.367 41.298 39.000 -0.115 0.000 1.161 90 F HN 0.525 nan 8.300 nan 0.000 0.445 91 M N 4.363 123.899 119.600 -0.107 0.000 2.264 91 M HA 0.589 5.069 4.480 -0.000 0.000 0.352 91 M C -1.511 174.552 176.300 -0.394 0.000 1.173 91 M CA -0.418 54.720 55.300 -0.269 0.000 1.075 91 M CB 1.042 33.466 32.600 -0.294 0.000 1.621 91 M HN 0.535 nan 8.290 nan 0.000 0.457 92 L N 5.102 126.016 121.223 -0.515 0.000 2.356 92 L HA 0.588 4.928 4.340 -0.000 0.000 0.277 92 L C -1.549 174.992 176.870 -0.548 0.000 0.996 92 L CA -0.450 54.145 54.840 -0.409 0.000 0.822 92 L CB 1.464 43.414 42.059 -0.183 0.000 1.256 92 L HN 0.591 nan 8.230 nan 0.000 0.413 93 F N 3.573 123.525 119.950 0.004 0.000 2.529 93 F HA 0.557 5.084 4.527 -0.000 0.000 0.320 93 F C -2.289 173.559 175.800 0.080 0.000 1.118 93 F CA -2.375 55.679 58.000 0.090 0.000 0.915 93 F CB 1.856 40.977 39.000 0.201 0.000 1.161 93 F HN 0.209 nan 8.300 nan 0.000 0.445 94 P HA 0.200 nan 4.420 nan 0.000 0.297 94 P C -1.097 176.203 177.300 -0.000 0.000 1.319 94 P CA -0.802 62.350 63.100 0.087 0.000 0.810 94 P CB 1.715 33.436 31.700 0.034 0.000 0.947 95 K N 4.392 124.805 120.400 0.021 0.000 2.219 95 K HA 0.237 4.557 4.320 -0.000 0.000 0.280 95 K C -0.943 175.641 176.600 -0.027 0.000 1.104 95 K CA -0.481 55.776 56.287 -0.049 0.000 0.925 95 K CB -0.789 31.685 32.500 -0.043 0.000 1.261 95 K HN 0.144 nan 8.250 nan 0.000 0.445 96 V N 3.010 122.865 119.914 -0.099 0.000 2.583 96 V HA 0.199 4.319 4.120 -0.000 0.000 0.287 96 V C 0.659 176.733 176.094 -0.034 0.000 1.051 96 V CA 0.150 62.411 62.300 -0.065 0.000 1.010 96 V CB 0.533 32.281 31.823 -0.124 0.000 0.988 96 V HN 0.897 nan 8.190 nan 0.000 0.478 97 D N 2.613 123.006 120.400 -0.012 0.000 2.525 97 D HA 0.003 4.643 4.640 -0.000 0.000 0.235 97 D C 0.828 177.120 176.300 -0.013 0.000 1.137 97 D CA 0.077 54.067 54.000 -0.017 0.000 0.868 97 D CB 0.301 41.090 40.800 -0.017 0.000 1.180 97 D HN 0.775 nan 8.370 nan 0.000 0.465 98 D N 1.097 121.487 120.400 -0.017 0.000 2.219 98 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 98 D C 2.384 178.682 176.300 -0.003 0.000 0.970 98 D CA 1.599 55.592 54.000 -0.013 0.000 0.851 98 D CB -0.522 40.269 40.800 -0.015 0.000 0.943 98 D HN 0.821 nan 8.370 nan 0.000 0.488 99 E N 0.996 121.193 120.200 -0.004 0.000 2.204 99 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 99 E C 2.216 178.818 176.600 0.004 0.000 0.989 99 E CA 0.487 56.886 56.400 -0.002 0.000 0.824 99 E CB -0.864 28.833 29.700 -0.005 0.000 0.756 99 E HN 0.325 nan 8.360 nan 0.000 0.477 100 L N -0.461 120.767 121.223 0.010 0.000 2.509 100 L HA 0.135 4.475 4.340 -0.000 0.000 0.222 100 L C 1.198 178.091 176.870 0.038 0.000 1.123 100 L CA 0.090 54.943 54.840 0.021 0.000 0.856 100 L CB 0.149 42.228 42.059 0.033 0.000 0.985 100 L HN 0.072 nan 8.230 nan 0.000 0.456 101 K N 0.615 121.036 120.400 0.035 0.000 2.276 101 K HA 0.266 4.586 4.320 -0.000 0.000 0.259 101 K C 0.327 176.950 176.600 0.037 0.000 1.001 101 K CA 0.174 56.489 56.287 0.048 0.000 0.927 101 K CB 1.021 33.536 32.500 0.025 0.000 0.969 101 K HN 0.143 nan 8.250 nan 0.000 0.490 102 S N -1.626 114.102 115.700 0.047 0.000 2.655 102 S HA 0.328 4.798 4.470 -0.000 0.000 0.266 102 S C 0.610 175.238 174.600 0.046 0.000 1.149 102 S CA -0.466 57.755 58.200 0.035 0.000 0.818 102 S CB 0.390 63.602 63.200 0.019 0.000 1.130 102 S HN 0.297 nan 8.310 nan 0.000 0.476 103 V N 0.035 119.974 119.914 0.041 0.000 2.407 103 V HA 0.253 4.373 4.120 -0.000 0.000 0.245 103 V C 3.189 179.313 176.094 0.050 0.000 1.041 103 V CA 2.767 65.096 62.300 0.048 0.000 1.040 103 V CB -1.396 30.451 31.823 0.040 0.000 0.671 103 V HN 1.309 nan 8.190 nan 0.000 0.455 104 M N -1.312 118.314 119.600 0.043 0.000 2.419 104 M HA 0.617 5.097 4.480 -0.000 0.000 0.264 104 M C 2.029 178.360 176.300 0.051 0.000 1.082 104 M CA 1.755 57.087 55.300 0.053 0.000 1.119 104 M CB -1.444 31.190 32.600 0.057 0.000 1.398 104 M HN 2.333 nan 8.290 nan 0.000 0.453 105 A N 1.275 124.112 122.820 0.027 0.000 2.872 105 A HA -0.196 4.124 4.320 -0.000 0.000 0.273 105 A C 1.284 178.777 177.584 -0.152 0.000 1.442 105 A CA 1.335 53.379 52.037 0.011 0.000 0.801 105 A CB -2.572 16.474 19.000 0.076 0.000 1.031 105 A HN 1.276 nan 8.150 nan 0.000 0.582 106 E N 0.326 120.393 120.200 -0.223 0.000 2.209 106 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 106 E C 1.304 177.390 176.600 -0.856 0.000 0.993 106 E CA 1.607 57.622 56.400 -0.642 0.000 0.819 106 E CB -0.273 29.213 29.700 -0.358 0.000 0.745 106 E HN 0.811 nan 8.360 nan 0.000 0.477 107 E N 1.854 121.791 120.200 -0.439 0.000 2.267 107 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 107 E C 1.948 178.146 176.600 -0.670 0.000 0.998 107 E CA 1.491 57.677 56.400 -0.357 0.000 0.830 107 E CB -0.396 29.285 29.700 -0.032 0.000 0.751 107 E HN 0.382 nan 8.360 nan 0.000 0.491 108 S N -0.559 114.512 115.700 -1.048 0.000 2.440 108 S HA -0.219 4.251 4.470 -0.000 0.000 0.238 108 S C 1.402 175.692 174.600 -0.516 0.000 1.010 108 S CA 1.223 58.647 58.200 -1.292 0.000 0.972 108 S CB -0.708 62.017 63.200 -0.791 0.000 0.774 108 S HN 0.567 nan 8.310 nan 0.000 0.501 109 Y N -0.012 120.110 120.300 -0.298 0.000 2.706 109 Y HA 0.556 5.106 4.550 -0.000 0.000 0.255 109 Y C -0.094 175.739 175.900 -0.112 0.000 1.163 109 Y CA -1.825 56.174 58.100 -0.167 0.000 1.174 109 Y CB -0.924 37.459 38.460 -0.128 0.000 1.200 109 Y HN 0.076 nan 8.280 nan 0.000 0.544 110 N N 4.066 122.650 118.700 -0.194 0.000 2.416 110 N HA 0.132 4.872 4.740 -0.000 0.000 0.265 110 N C -1.896 173.603 175.510 -0.019 0.000 1.195 110 N CA -2.338 50.659 53.050 -0.089 0.000 0.943 110 N CB 1.290 39.705 38.487 -0.120 0.000 1.115 110 N HN 0.093 nan 8.380 nan 0.000 0.481 111 P HA -0.003 nan 4.420 nan 0.000 0.230 111 P C -0.190 177.117 177.300 0.011 0.000 1.158 111 P CA 0.961 64.071 63.100 0.017 0.000 0.769 111 P CB 0.377 32.090 31.700 0.022 0.000 0.807 112 D N -0.720 119.684 120.400 0.005 0.000 2.340 112 D HA 0.105 4.745 4.640 -0.000 0.000 0.217 112 D C 1.317 177.624 176.300 0.011 0.000 1.081 112 D CA 0.167 54.171 54.000 0.006 0.000 0.842 112 D CB 0.031 40.833 40.800 0.003 0.000 0.934 112 D HN 0.089 nan 8.370 nan 0.000 0.511 113 G N 0.948 109.756 108.800 0.014 0.000 2.699 113 G HA2 0.085 4.045 3.960 -0.000 0.000 0.246 113 G HA3 0.085 4.045 3.960 -0.000 0.000 0.246 113 G C 1.073 176.007 174.900 0.057 0.000 1.219 113 G CA -0.516 44.608 45.100 0.039 0.000 0.866 113 G HN 0.109 nan 8.290 nan 0.000 0.572 114 L N 0.829 122.101 121.223 0.082 0.000 2.046 114 L HA -0.052 4.287 4.340 -0.000 0.000 0.208 114 L C 2.484 179.400 176.870 0.077 0.000 1.077 114 L CA 1.682 56.565 54.840 0.073 0.000 0.747 114 L CB -0.671 41.434 42.059 0.077 0.000 0.896 114 L HN 0.480 nan 8.230 nan 0.000 0.432 115 L N -0.062 121.228 121.223 0.110 0.000 2.005 115 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 115 L C -0.448 176.458 176.870 0.059 0.000 1.072 115 L CA 1.934 56.830 54.840 0.095 0.000 0.744 115 L CB -1.804 40.343 42.059 0.146 0.000 0.895 115 L HN 0.167 nan 8.230 nan 0.000 0.433 116 P HA -0.173 nan 4.420 nan 0.000 0.215 116 P C 1.512 178.826 177.300 0.024 0.000 1.153 116 P CA 1.656 64.775 63.100 0.033 0.000 0.853 116 P CB -0.103 31.613 31.700 0.027 0.000 0.788 117 R N -0.605 119.910 120.500 0.025 0.000 2.096 117 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 117 R C 2.271 178.580 176.300 0.015 0.000 1.127 117 R CA 1.436 57.546 56.100 0.017 0.000 0.968 117 R CB -0.940 29.370 30.300 0.017 0.000 0.861 117 R HN 0.154 nan 8.270 nan 0.000 0.440 118 A N 1.145 123.978 122.820 0.022 0.000 1.902 118 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 118 A C 2.110 179.698 177.584 0.007 0.000 1.181 118 A CA 1.152 53.199 52.037 0.016 0.000 0.623 118 A CB -0.397 18.615 19.000 0.021 0.000 0.818 118 A HN 0.170 nan 8.150 nan 0.000 0.443 119 I N -0.798 119.777 120.570 0.009 0.000 2.179 119 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 119 I C 2.758 178.878 176.117 0.007 0.000 1.088 119 I CA 1.616 62.919 61.300 0.006 0.000 1.357 119 I CB -0.328 37.678 38.000 0.009 0.000 1.051 119 I HN 0.336 nan 8.210 nan 0.000 0.409 120 M N 0.184 119.787 119.600 0.004 0.000 2.117 120 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 120 M C 2.525 178.819 176.300 -0.011 0.000 1.065 120 M CA 2.000 57.299 55.300 -0.002 0.000 1.114 120 M CB -0.503 32.095 32.600 -0.002 0.000 1.361 120 M HN 0.336 nan 8.290 nan 0.000 0.408 121 A N 0.352 123.165 122.820 -0.011 0.000 1.898 121 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 121 A C 2.097 179.665 177.584 -0.027 0.000 1.181 121 A CA 1.302 53.325 52.037 -0.023 0.000 0.620 121 A CB -0.798 18.193 19.000 -0.015 0.000 0.819 121 A HN 0.432 nan 8.150 nan 0.000 0.442 122 L N -0.593 120.634 121.223 0.006 0.000 2.027 122 L HA -0.166 4.173 4.340 -0.000 0.000 0.206 122 L C 3.230 180.136 176.870 0.060 0.000 1.074 122 L CA 1.718 56.593 54.840 0.059 0.000 0.745 122 L CB -0.524 41.561 42.059 0.044 0.000 0.898 122 L HN 0.485 nan 8.230 nan 0.000 0.433 123 K N 0.266 120.684 120.400 0.031 0.000 2.152 123 K HA -0.249 4.070 4.320 -0.000 0.000 0.206 123 K C 1.841 178.436 176.600 -0.008 0.000 1.048 123 K CA 1.926 58.229 56.287 0.027 0.000 0.933 123 K CB -0.830 31.681 32.500 0.018 0.000 0.721 123 K HN 0.554 nan 8.250 nan 0.000 0.447 124 E N -0.682 119.494 120.200 -0.041 0.000 2.158 124 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 124 E C 2.126 178.632 176.600 -0.157 0.000 0.982 124 E CA 0.808 57.162 56.400 -0.077 0.000 0.823 124 E CB -0.072 29.586 29.700 -0.071 0.000 0.766 124 E HN 0.528 nan 8.360 nan 0.000 0.468 125 A N -0.065 122.602 122.820 -0.255 0.000 2.030 125 A HA 0.101 4.420 4.320 -0.000 0.000 0.215 125 A C 0.323 177.404 177.584 -0.838 0.000 1.164 125 A CA 0.332 52.010 52.037 -0.598 0.000 0.697 125 A CB 0.167 18.677 19.000 -0.816 0.000 0.827 125 A HN 0.243 nan 8.150 nan 0.000 0.457 126 F N -1.211 118.711 119.950 -0.046 0.000 2.710 126 F HA 0.360 4.887 4.527 -0.000 0.000 0.345 126 F C -2.247 173.541 175.800 -0.020 0.000 1.362 126 F CA -2.169 55.808 58.000 -0.038 0.000 1.175 126 F CB 1.229 40.191 39.000 -0.063 0.000 1.561 126 F HN -0.015 nan 8.300 nan 0.000 0.593 127 P HA -0.184 nan 4.420 nan 0.000 0.218 127 P C 1.198 178.542 177.300 0.074 0.000 1.148 127 P CA 1.537 64.673 63.100 0.059 0.000 0.822 127 P CB 0.195 31.910 31.700 0.025 0.000 0.784 128 D N -1.141 119.315 120.400 0.093 0.000 2.340 128 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 128 D C 0.558 176.915 176.300 0.095 0.000 1.039 128 D CA -0.028 54.019 54.000 0.079 0.000 0.866 128 D CB -0.431 40.411 40.800 0.071 0.000 0.913 128 D HN 0.023 nan 8.370 nan 0.000 0.523 129 V N 1.146 121.136 119.914 0.127 0.000 2.811 129 V HA 0.110 4.230 4.120 -0.000 0.000 0.302 129 V C -0.309 175.862 176.094 0.128 0.000 1.063 129 V CA -0.572 61.816 62.300 0.147 0.000 1.088 129 V CB 1.167 33.072 31.823 0.137 0.000 0.982 129 V HN 0.104 nan 8.190 nan 0.000 0.485 130 L N 7.340 128.652 121.223 0.150 0.000 2.265 130 L HA 0.516 4.855 4.340 -0.000 0.000 0.289 130 L C -0.510 176.430 176.870 0.118 0.000 1.033 130 L CA 0.317 55.211 54.840 0.090 0.000 0.814 130 L CB 0.910 42.989 42.059 0.032 0.000 1.203 130 L HN 0.559 nan 8.230 nan 0.000 0.423 131 L N 5.995 127.261 121.223 0.072 0.000 2.313 131 L HA 0.478 4.818 4.340 -0.000 0.000 0.283 131 L C -1.087 175.786 176.870 0.005 0.000 1.013 131 L CA -0.833 54.039 54.840 0.053 0.000 0.816 131 L CB 1.641 43.721 42.059 0.035 0.000 1.236 131 L HN 0.385 nan 8.230 nan 0.000 0.419 132 L N 3.525 124.732 121.223 -0.026 0.000 2.305 132 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 132 L C 0.109 176.924 176.870 -0.091 0.000 1.013 132 L CA -0.159 54.650 54.840 -0.051 0.000 0.819 132 L CB 1.651 43.666 42.059 -0.074 0.000 1.227 132 L HN 0.632 nan 8.230 nan 0.000 0.417 133 A N 2.020 124.808 122.820 -0.053 0.000 2.331 133 A HA 0.552 4.872 4.320 -0.000 0.000 0.320 133 A C -0.599 176.979 177.584 -0.009 0.000 1.138 133 A CA -0.617 51.382 52.037 -0.063 0.000 0.790 133 A CB 0.596 19.588 19.000 -0.013 0.000 1.206 133 A HN 0.683 nan 8.150 nan 0.000 0.470 134 D N 1.264 121.652 120.400 -0.021 0.000 2.424 134 D HA 0.328 4.968 4.640 -0.000 0.000 0.244 134 D C -0.519 175.856 176.300 0.124 0.000 1.134 134 D CA 0.767 54.834 54.000 0.113 0.000 0.881 134 D CB 0.733 41.705 40.800 0.287 0.000 1.191 134 D HN 0.173 nan 8.370 nan 0.000 0.445 135 V N 3.073 123.046 119.914 0.098 0.000 2.334 135 V HA 0.795 4.915 4.120 -0.000 0.000 0.281 135 V C -0.009 176.119 176.094 0.057 0.000 1.016 135 V CA -0.110 62.239 62.300 0.082 0.000 0.832 135 V CB 0.309 32.166 31.823 0.056 0.000 0.999 135 V HN 0.810 nan 8.190 nan 0.000 0.439 136 A N 4.293 127.171 122.820 0.097 0.000 2.574 136 A HA 0.566 4.885 4.320 -0.000 0.000 0.298 136 A C -0.426 177.256 177.584 0.162 0.000 0.987 136 A CA -0.544 51.537 52.037 0.074 0.000 0.678 136 A CB 0.679 19.691 19.000 0.020 0.000 1.296 136 A HN 0.568 nan 8.150 nan 0.000 0.420 137 L N 0.788 122.087 121.223 0.127 0.000 2.554 137 L HA 0.086 4.426 4.340 -0.000 0.000 0.225 137 L C 1.886 178.880 176.870 0.207 0.000 1.104 137 L CA 0.855 55.813 54.840 0.196 0.000 0.866 137 L CB -0.262 41.864 42.059 0.111 0.000 1.047 137 L HN 0.970 nan 8.230 nan 0.000 0.468 138 D N 0.738 121.212 120.400 0.124 0.000 2.178 138 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 138 D C -0.840 175.465 176.300 0.009 0.000 0.980 138 D CA 0.885 54.927 54.000 0.069 0.000 0.842 138 D CB -1.510 39.318 40.800 0.046 0.000 0.948 138 D HN 0.244 nan 8.370 nan 0.000 0.472 139 P HA -0.074 nan 4.420 nan 0.000 0.223 139 P C 0.591 177.636 177.300 -0.426 0.000 1.151 139 P CA 0.985 63.907 63.100 -0.296 0.000 0.787 139 P CB -0.273 31.139 31.700 -0.481 0.000 0.788 140 Y N -2.328 117.982 120.300 0.017 0.000 2.467 140 Y HA 0.279 4.829 4.550 -0.000 0.000 0.250 140 Y C 1.136 177.035 175.900 -0.002 0.000 1.155 140 Y CA -0.312 57.788 58.100 -0.001 0.000 1.249 140 Y CB 0.065 38.516 38.460 -0.014 0.000 1.146 140 Y HN -0.191 nan 8.280 nan 0.000 0.524 141 S N 0.508 116.280 115.700 0.119 0.000 2.499 141 S HA 0.162 4.632 4.470 -0.000 0.000 0.279 141 S C 1.247 175.878 174.600 0.052 0.000 1.219 141 S CA -0.111 58.144 58.200 0.091 0.000 1.062 141 S CB 0.796 64.053 63.200 0.095 0.000 0.978 141 S HN 0.365 nan 8.310 nan 0.000 0.489 142 S N 3.524 119.255 115.700 0.052 0.000 2.522 142 S HA -0.009 4.461 4.470 -0.000 0.000 0.227 142 S C 1.731 176.355 174.600 0.039 0.000 0.986 142 S CA 0.842 59.064 58.200 0.036 0.000 0.929 142 S CB -0.427 62.794 63.200 0.034 0.000 0.769 142 S HN 1.011 nan 8.310 nan 0.000 0.529 143 M N 0.461 120.097 119.600 0.060 0.000 2.382 143 M HA 0.635 5.115 4.480 -0.000 0.000 0.247 143 M C 1.720 178.031 176.300 0.019 0.000 1.104 143 M CA 0.756 56.104 55.300 0.080 0.000 1.030 143 M CB -1.442 31.249 32.600 0.152 0.000 1.424 143 M HN 1.175 nan 8.290 nan 0.000 0.486 144 G N 0.459 109.255 108.800 -0.007 0.000 2.160 144 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.251 144 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.251 144 G C -0.047 174.761 174.900 -0.154 0.000 1.008 144 G CA 0.477 45.527 45.100 -0.083 0.000 0.724 144 G HN 0.938 nan 8.290 nan 0.000 0.514 145 H N -0.529 118.588 119.070 0.078 0.000 2.533 145 H HA 0.345 4.901 4.556 -0.000 0.000 0.343 145 H C 0.637 175.986 175.328 0.035 0.000 1.160 145 H CA -0.434 55.675 56.048 0.102 0.000 1.218 145 H CB 1.604 31.432 29.762 0.110 0.000 1.566 145 H HN 0.116 nan 8.280 nan 0.000 0.522 146 D N 0.975 121.460 120.400 0.142 0.000 2.371 146 D HA 0.093 4.733 4.640 -0.000 0.000 0.221 146 D C 1.062 177.296 176.300 -0.111 0.000 0.986 146 D CA 0.645 54.626 54.000 -0.032 0.000 0.899 146 D CB 0.521 41.259 40.800 -0.104 0.000 0.902 146 D HN 0.603 nan 8.370 nan 0.000 0.530 147 G N -1.186 107.541 108.800 -0.122 0.000 2.788 147 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 147 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 147 G C -1.142 173.739 174.900 -0.032 0.000 1.392 147 G CA -0.681 44.357 45.100 -0.104 0.000 0.810 147 G HN -0.084 nan 8.290 nan 0.000 0.508 148 V N 0.501 120.402 119.914 -0.022 0.000 2.521 148 V HA 0.250 4.370 4.120 -0.000 0.000 0.286 148 V C 0.359 176.445 176.094 -0.014 0.000 1.034 148 V CA -0.244 62.058 62.300 0.004 0.000 1.045 148 V CB 0.974 32.805 31.823 0.014 0.000 0.974 148 V HN 0.427 nan 8.190 nan 0.000 0.480 149 V N 4.270 124.187 119.914 0.005 0.000 2.465 149 V HA 0.227 4.347 4.120 -0.000 0.000 0.279 149 V C 0.131 176.226 176.094 0.002 0.000 1.045 149 V CA -0.554 61.743 62.300 -0.006 0.000 0.938 149 V CB 1.738 33.572 31.823 0.017 0.000 0.986 149 V HN 0.938 nan 8.190 nan 0.000 0.467 150 D N 4.135 124.532 120.400 -0.005 0.000 2.317 150 D HA 0.368 5.008 4.640 -0.000 0.000 0.252 150 D C 1.189 177.492 176.300 0.006 0.000 1.174 150 D CA 0.639 54.639 54.000 -0.000 0.000 0.866 150 D CB 1.790 42.588 40.800 -0.004 0.000 1.127 150 D HN 0.716 nan 8.370 nan 0.000 0.467 151 E N 2.870 123.076 120.200 0.010 0.000 2.065 151 E HA -0.323 4.027 4.350 -0.000 0.000 0.201 151 E C 1.957 178.564 176.600 0.010 0.000 1.016 151 E CA 2.871 59.279 56.400 0.013 0.000 0.818 151 E CB -1.448 28.259 29.700 0.012 0.000 0.749 151 E HN 0.713 nan 8.360 nan 0.000 0.453 152 Q N -0.109 119.695 119.800 0.007 0.000 2.137 152 Q HA 0.033 4.373 4.340 -0.000 0.000 0.198 152 Q C 2.526 178.529 176.000 0.006 0.000 0.960 152 Q CA 2.385 58.192 55.803 0.007 0.000 0.847 152 Q CB -0.470 28.271 28.738 0.005 0.000 0.915 152 Q HN 0.999 nan 8.270 nan 0.000 0.448 153 S N -2.889 112.814 115.700 0.004 0.000 2.483 153 S HA 0.412 4.882 4.470 -0.000 0.000 0.221 153 S C 1.994 176.596 174.600 0.003 0.000 1.030 153 S CA 1.187 59.389 58.200 0.004 0.000 0.925 153 S CB 0.350 63.551 63.200 0.002 0.000 0.795 153 S HN 1.789 nan 8.310 nan 0.000 0.511 154 G N 0.879 109.679 108.800 0.000 0.000 2.179 154 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.260 154 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.260 154 G C 0.220 175.106 174.900 -0.025 0.000 0.977 154 G CA 0.451 45.548 45.100 -0.006 0.000 0.641 154 G HN 1.079 nan 8.290 nan 0.000 0.533 155 K N -0.040 120.350 120.400 -0.016 0.000 2.237 155 K HA 0.719 5.039 4.320 -0.000 0.000 0.270 155 K C 0.248 176.828 176.600 -0.034 0.000 1.015 155 K CA 0.005 56.282 56.287 -0.016 0.000 0.949 155 K CB 0.517 33.016 32.500 -0.003 0.000 0.976 155 K HN 0.579 nan 8.250 nan 0.000 0.472 156 I N 2.156 122.702 120.570 -0.040 0.000 2.347 156 I HA 0.076 4.246 4.170 -0.000 0.000 0.294 156 I C 0.455 176.537 176.117 -0.058 0.000 1.090 156 I CA -0.388 60.865 61.300 -0.078 0.000 1.314 156 I CB 1.210 39.120 38.000 -0.150 0.000 1.423 156 I HN 0.415 nan 8.210 nan 0.000 0.503 157 V N 7.445 127.332 119.914 -0.046 0.000 2.427 157 V HA 0.133 4.253 4.120 -0.000 0.000 0.268 157 V C 1.268 177.341 176.094 -0.036 0.000 1.046 157 V CA 0.084 62.367 62.300 -0.029 0.000 0.970 157 V CB 0.518 32.330 31.823 -0.019 0.000 1.001 157 V HN 0.889 nan 8.190 nan 0.000 0.476 158 N N 4.834 123.517 118.700 -0.028 0.000 2.025 158 N HA -0.147 4.593 4.740 -0.000 0.000 0.194 158 N C 1.195 176.696 175.510 -0.016 0.000 1.044 158 N CA 2.515 55.548 53.050 -0.028 0.000 0.851 158 N CB 0.051 38.532 38.487 -0.011 0.000 1.036 158 N HN 0.868 nan 8.380 nan 0.000 0.422 159 D N -0.335 120.062 120.400 -0.005 0.000 2.123 159 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 159 D C 1.889 178.202 176.300 0.022 0.000 0.976 159 D CA 0.349 54.353 54.000 0.007 0.000 0.831 159 D CB -0.478 40.322 40.800 0.001 0.000 0.974 159 D HN 0.174 nan 8.370 nan 0.000 0.469 160 L N 0.948 122.175 121.223 0.007 0.000 2.043 160 L HA -0.175 4.164 4.340 -0.000 0.000 0.212 160 L C 2.204 179.106 176.870 0.053 0.000 1.075 160 L CA 1.712 56.562 54.840 0.018 0.000 0.752 160 L CB -0.965 41.092 42.059 -0.004 0.000 0.891 160 L HN 0.013 nan 8.230 nan 0.000 0.432 161 T N -1.548 113.017 114.554 0.018 0.000 2.708 161 T HA -0.179 4.170 4.350 -0.000 0.000 0.266 161 T C 1.984 176.695 174.700 0.017 0.000 1.037 161 T CA 1.598 63.702 62.100 0.006 0.000 1.146 161 T CB -0.420 68.420 68.868 -0.046 0.000 0.865 161 T HN 0.171 nan 8.240 nan 0.000 0.435 162 V N 1.329 121.253 119.914 0.018 0.000 2.332 162 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 162 V C 2.385 178.496 176.094 0.028 0.000 1.055 162 V CA 1.777 64.087 62.300 0.017 0.000 1.038 162 V CB -0.773 31.060 31.823 0.017 0.000 0.651 162 V HN 0.642 nan 8.190 nan 0.000 0.450 163 H N 0.117 119.167 119.070 -0.033 0.000 2.319 163 H HA -0.201 4.355 4.556 -0.000 0.000 0.297 163 H C 2.412 177.703 175.328 -0.061 0.000 1.097 163 H CA 2.177 58.197 56.048 -0.047 0.000 1.285 163 H CB 0.168 29.902 29.762 -0.047 0.000 1.368 163 H HN 0.465 nan 8.280 nan 0.000 0.495 164 Q N 0.266 120.077 119.800 0.019 0.000 2.079 164 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 164 Q C 2.870 178.846 176.000 -0.040 0.000 0.974 164 Q CA 0.731 56.524 55.803 -0.016 0.000 0.840 164 Q CB -0.098 28.697 28.738 0.095 0.000 0.898 164 Q HN 0.521 nan 8.270 nan 0.000 0.430 165 L N -0.042 121.167 121.223 -0.023 0.000 2.083 165 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 165 L C 2.682 179.521 176.870 -0.051 0.000 1.083 165 L CA 0.810 55.639 54.840 -0.018 0.000 0.752 165 L CB -0.642 41.412 42.059 -0.008 0.000 0.899 165 L HN 0.262 nan 8.230 nan 0.000 0.433 166 C N 0.102 119.344 119.300 -0.098 0.000 2.413 166 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 166 C C 2.801 177.696 174.990 -0.158 0.000 1.265 166 C CA 0.857 59.800 59.018 -0.126 0.000 1.752 166 C CB -0.758 26.880 27.740 -0.170 0.000 1.998 166 C HN 0.449 nan 8.230 nan 0.000 0.489 167 K N 0.252 120.511 120.400 -0.234 0.000 2.097 167 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 167 K C 2.241 178.783 176.600 -0.098 0.000 1.050 167 K CA 1.183 57.306 56.287 -0.273 0.000 0.938 167 K CB -0.279 31.872 32.500 -0.582 0.000 0.718 167 K HN 0.571 nan 8.250 nan 0.000 0.442 168 Q N 0.646 120.432 119.800 -0.022 0.000 2.079 168 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 168 Q C 2.056 178.060 176.000 0.006 0.000 0.974 168 Q CA 1.438 57.258 55.803 0.027 0.000 0.840 168 Q CB -0.090 28.661 28.738 0.021 0.000 0.898 168 Q HN 0.322 nan 8.270 nan 0.000 0.430 169 A N 0.764 123.578 122.820 -0.010 0.000 1.933 169 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 169 A C 1.978 179.555 177.584 -0.011 0.000 1.175 169 A CA 1.276 53.311 52.037 -0.004 0.000 0.628 169 A CB -0.620 18.375 19.000 -0.008 0.000 0.814 169 A HN 0.486 nan 8.150 nan 0.000 0.444 170 I N -0.567 119.986 120.570 -0.030 0.000 2.252 170 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 170 I C 2.578 178.687 176.117 -0.014 0.000 1.102 170 I CA 1.694 62.975 61.300 -0.031 0.000 1.385 170 I CB -0.562 37.405 38.000 -0.056 0.000 1.064 170 I HN 0.258 nan 8.210 nan 0.000 0.414 171 T N 1.381 115.932 114.554 -0.004 0.000 2.684 171 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 171 T C 1.923 176.631 174.700 0.013 0.000 1.036 171 T CA 1.344 63.452 62.100 0.013 0.000 1.148 171 T CB -0.331 68.559 68.868 0.037 0.000 0.863 171 T HN 0.246 nan 8.240 nan 0.000 0.436 172 L N 0.540 121.772 121.223 0.014 0.000 2.093 172 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 172 L C 3.035 179.911 176.870 0.011 0.000 1.085 172 L CA 0.989 55.840 54.840 0.018 0.000 0.755 172 L CB -0.665 41.409 42.059 0.025 0.000 0.904 172 L HN 0.243 nan 8.230 nan 0.000 0.435 173 A N 0.322 123.145 122.820 0.006 0.000 1.855 173 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 173 A C 2.382 179.967 177.584 0.002 0.000 1.191 173 A CA 1.381 53.420 52.037 0.003 0.000 0.613 173 A CB -0.470 18.529 19.000 -0.002 0.000 0.829 173 A HN 0.282 nan 8.150 nan 0.000 0.442 174 R N -0.540 119.960 120.500 0.001 0.000 2.120 174 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 174 R C 2.183 178.485 176.300 0.003 0.000 1.123 174 R CA 1.069 57.169 56.100 0.000 0.000 0.975 174 R CB -0.391 29.909 30.300 -0.001 0.000 0.866 174 R HN 0.511 nan 8.270 nan 0.000 0.446 175 A N -0.264 122.560 122.820 0.006 0.000 2.168 175 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 175 A C 1.423 179.012 177.584 0.007 0.000 1.152 175 A CA 1.144 53.186 52.037 0.008 0.000 0.716 175 A CB 0.009 19.016 19.000 0.012 0.000 0.794 175 A HN 0.477 nan 8.150 nan 0.000 0.465 176 G N -2.586 106.218 108.800 0.007 0.000 2.175 176 G HA2 0.202 4.162 3.960 -0.000 0.000 0.182 176 G HA3 0.202 4.162 3.960 -0.000 0.000 0.182 176 G C 0.298 175.204 174.900 0.011 0.000 1.003 176 G CA -0.009 45.096 45.100 0.008 0.000 0.666 176 G HN 1.466 nan 8.290 nan 0.000 0.506 177 A N 0.614 123.440 122.820 0.009 0.000 2.522 177 A HA 0.487 4.807 4.320 -0.000 0.000 0.256 177 A C 1.293 178.882 177.584 0.009 0.000 1.086 177 A CA 0.930 52.972 52.037 0.009 0.000 0.763 177 A CB 0.220 19.225 19.000 0.007 0.000 1.024 177 A HN 0.271 nan 8.150 nan 0.000 0.502 178 D N 2.016 122.422 120.400 0.010 0.000 2.117 178 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 178 D C 0.398 176.700 176.300 0.003 0.000 0.982 178 D CA 1.434 55.439 54.000 0.008 0.000 0.828 178 D CB 0.094 40.901 40.800 0.012 0.000 0.967 178 D HN 0.629 nan 8.370 nan 0.000 0.464 179 M N 0.930 120.530 119.600 0.001 0.000 2.395 179 M HA 0.261 4.741 4.480 -0.000 0.000 0.307 179 M C -0.584 175.722 176.300 0.011 0.000 1.091 179 M CA -0.880 54.422 55.300 0.002 0.000 0.919 179 M CB 3.304 35.899 32.600 -0.008 0.000 1.662 179 M HN -0.291 nan 8.290 nan 0.000 0.440 180 V N -0.352 119.575 119.914 0.022 0.000 2.617 180 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 180 V C -0.602 175.533 176.094 0.070 0.000 1.048 180 V CA -0.522 61.801 62.300 0.038 0.000 0.964 180 V CB 1.433 33.275 31.823 0.032 0.000 1.004 180 V HN 1.016 nan 8.190 nan 0.000 0.466 181 C N 5.212 124.580 119.300 0.114 0.000 2.816 181 C HA 0.491 4.951 4.460 -0.000 0.000 0.255 181 C C -2.649 172.490 174.990 0.249 0.000 1.141 181 C CA -1.093 58.063 59.018 0.231 0.000 1.554 181 C CB -0.003 27.933 27.740 0.328 0.000 1.778 181 C HN 0.779 nan 8.230 nan 0.000 0.429 182 P HA 0.114 nan 4.420 nan 0.000 0.270 182 P C 0.612 177.927 177.300 0.024 0.000 1.242 182 P CA 0.695 63.852 63.100 0.095 0.000 0.768 182 P CB 0.557 32.306 31.700 0.082 0.000 0.820 183 S N 0.808 116.357 115.700 -0.252 0.000 2.602 183 S HA 0.044 4.514 4.470 -0.000 0.000 0.240 183 S C 0.928 175.356 174.600 -0.287 0.000 0.992 183 S CA -0.367 57.439 58.200 -0.657 0.000 0.971 183 S CB -0.394 62.132 63.200 -1.123 0.000 0.855 183 S HN 0.404 nan 8.310 nan 0.000 0.481 184 D N 1.129 121.458 120.400 -0.119 0.000 2.240 184 D HA -0.038 4.602 4.640 -0.000 0.000 0.206 184 D C 0.933 177.231 176.300 -0.004 0.000 0.963 184 D CA 0.306 54.264 54.000 -0.070 0.000 0.863 184 D CB -0.362 40.393 40.800 -0.074 0.000 0.973 184 D HN 0.247 nan 8.370 nan 0.000 0.501 185 M N -0.176 119.439 119.600 0.025 0.000 2.818 185 M HA -0.145 4.335 4.480 -0.000 0.000 0.204 185 M C -0.375 175.957 176.300 0.054 0.000 0.552 185 M CA 0.589 55.933 55.300 0.073 0.000 0.687 185 M CB -1.699 30.987 32.600 0.144 0.000 2.512 185 M HN 0.209 nan 8.290 nan 0.000 0.563 186 M N 0.200 119.795 119.600 -0.008 0.000 2.240 186 M HA 0.178 4.657 4.480 -0.000 0.000 0.333 186 M C 0.672 176.979 176.300 0.010 0.000 1.110 186 M CA 0.362 55.652 55.300 -0.017 0.000 1.173 186 M CB 0.200 32.773 32.600 -0.046 0.000 1.458 186 M HN 0.042 nan 8.290 nan 0.000 0.458 187 D N 1.046 121.454 120.400 0.013 0.000 2.350 187 D HA 0.370 5.010 4.640 -0.000 0.000 0.249 187 D C 1.187 177.495 176.300 0.013 0.000 1.119 187 D CA 0.784 54.794 54.000 0.017 0.000 0.886 187 D CB 0.960 41.770 40.800 0.018 0.000 1.195 187 D HN 0.892 nan 8.370 nan 0.000 0.437 188 G N 2.673 111.482 108.800 0.015 0.000 2.176 188 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.253 188 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.253 188 G C 1.278 176.186 174.900 0.013 0.000 0.979 188 G CA 0.493 45.601 45.100 0.014 0.000 0.641 188 G HN 0.546 nan 8.290 nan 0.000 0.530 189 R N 0.802 121.310 120.500 0.014 0.000 2.153 189 R HA 0.200 4.540 4.340 -0.000 0.000 0.218 189 R C 2.055 178.364 176.300 0.015 0.000 1.072 189 R CA 1.701 57.808 56.100 0.011 0.000 0.990 189 R CB -0.964 29.340 30.300 0.008 0.000 0.889 189 R HN 0.542 nan 8.270 nan 0.000 0.452 190 V N 1.548 121.475 119.914 0.022 0.000 2.255 190 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 190 V C 2.671 178.774 176.094 0.014 0.000 1.051 190 V CA 2.267 64.581 62.300 0.023 0.000 1.018 190 V CB -0.784 31.056 31.823 0.028 0.000 0.641 190 V HN 0.494 nan 8.190 nan 0.000 0.445 191 S N -0.526 115.181 115.700 0.012 0.000 2.368 191 S HA -0.179 4.290 4.470 -0.000 0.000 0.225 191 S C 2.125 176.728 174.600 0.004 0.000 1.030 191 S CA 1.648 59.853 58.200 0.008 0.000 0.999 191 S CB -0.355 62.850 63.200 0.009 0.000 0.844 191 S HN 0.613 nan 8.310 nan 0.000 0.459 192 A N 1.397 124.219 122.820 0.004 0.000 1.858 192 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 192 A C 2.121 179.699 177.584 -0.011 0.000 1.190 192 A CA 1.626 53.662 52.037 -0.002 0.000 0.617 192 A CB -0.889 18.112 19.000 0.001 0.000 0.827 192 A HN 0.607 nan 8.150 nan 0.000 0.443 193 I N -1.030 119.534 120.570 -0.009 0.000 2.163 193 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 193 I C 2.669 178.780 176.117 -0.010 0.000 1.085 193 I CA 1.824 63.117 61.300 -0.013 0.000 1.347 193 I CB -0.282 37.717 38.000 -0.002 0.000 1.044 193 I HN 0.307 nan 8.210 nan 0.000 0.408 194 R N 1.233 121.732 120.500 -0.002 0.000 2.096 194 R HA -0.253 4.086 4.340 -0.000 0.000 0.240 194 R C 2.149 178.445 176.300 -0.006 0.000 1.139 194 R CA 2.098 58.197 56.100 -0.002 0.000 0.952 194 R CB -0.497 29.804 30.300 0.002 0.000 0.854 194 R HN 0.424 nan 8.270 nan 0.000 0.436 195 E N -0.826 119.370 120.200 -0.007 0.000 2.107 195 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 195 E C 1.738 178.328 176.600 -0.015 0.000 0.982 195 E CA 1.310 57.705 56.400 -0.009 0.000 0.809 195 E CB 0.024 29.721 29.700 -0.006 0.000 0.756 195 E HN 0.358 nan 8.360 nan 0.000 0.459 196 S N 0.809 116.495 115.700 -0.023 0.000 2.368 196 S HA -0.139 4.330 4.470 -0.000 0.000 0.225 196 S C 1.954 176.535 174.600 -0.033 0.000 1.030 196 S CA 0.862 59.040 58.200 -0.037 0.000 0.999 196 S CB -0.218 62.947 63.200 -0.059 0.000 0.844 196 S HN 0.265 nan 8.310 nan 0.000 0.459 197 L N 1.261 122.469 121.223 -0.025 0.000 2.042 197 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 197 L C 2.146 179.007 176.870 -0.015 0.000 1.076 197 L CA 1.188 56.017 54.840 -0.019 0.000 0.749 197 L CB -0.659 41.392 42.059 -0.012 0.000 0.893 197 L HN 0.209 nan 8.230 nan 0.000 0.432 198 D N -0.314 120.079 120.400 -0.012 0.000 2.097 198 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 198 D C 2.343 178.637 176.300 -0.011 0.000 0.984 198 D CA 1.206 55.201 54.000 -0.009 0.000 0.826 198 D CB -0.133 40.663 40.800 -0.007 0.000 0.973 198 D HN 0.240 nan 8.370 nan 0.000 0.460 199 M N 0.427 120.019 119.600 -0.013 0.000 2.144 199 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 199 M C 1.297 177.588 176.300 -0.016 0.000 1.067 199 M CA 1.174 56.466 55.300 -0.014 0.000 1.095 199 M CB 0.013 32.603 32.600 -0.017 0.000 1.365 199 M HN -0.104 nan 8.290 nan 0.000 0.406 200 E N -0.437 119.752 120.200 -0.019 0.000 2.476 200 E HA 0.086 4.436 4.350 -0.000 0.000 0.191 200 E C 1.271 177.863 176.600 -0.013 0.000 1.064 200 E CA 0.653 57.041 56.400 -0.019 0.000 0.866 200 E CB 0.129 29.814 29.700 -0.024 0.000 0.952 200 E HN 0.661 nan 8.360 nan 0.000 0.492 201 G N 0.905 109.698 108.800 -0.011 0.000 2.157 201 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.248 201 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.248 201 G C 0.704 175.600 174.900 -0.007 0.000 0.979 201 G CA 0.241 45.336 45.100 -0.008 0.000 0.650 201 G HN 0.351 nan 8.290 nan 0.000 0.529 202 C N 2.717 122.012 119.300 -0.008 0.000 2.439 202 C HA 0.458 4.918 4.460 -0.000 0.000 0.411 202 C C 2.323 177.310 174.990 -0.005 0.000 1.337 202 C CA 0.424 59.438 59.018 -0.006 0.000 1.716 202 C CB -1.866 25.870 27.740 -0.008 0.000 2.332 202 C HN 0.703 nan 8.230 nan 0.000 0.594 203 T N -3.181 111.371 114.554 -0.004 0.000 3.035 203 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 203 T C 1.059 175.758 174.700 -0.001 0.000 1.109 203 T CA 1.357 63.455 62.100 -0.003 0.000 1.119 203 T CB -0.136 68.731 68.868 -0.002 0.000 0.900 203 T HN 0.377 nan 8.240 nan 0.000 0.503 204 D N 1.679 122.079 120.400 -0.001 0.000 2.183 204 D HA 0.037 4.677 4.640 -0.000 0.000 0.203 204 D C 0.562 176.862 176.300 0.001 0.000 0.969 204 D CA 0.727 54.727 54.000 0.000 0.000 0.842 204 D CB -0.508 40.293 40.800 0.001 0.000 0.957 204 D HN 0.389 nan 8.370 nan 0.000 0.484 205 T N 0.956 115.511 114.554 0.001 0.000 2.867 205 T HA 0.197 4.547 4.350 -0.000 0.000 0.297 205 T C 0.461 175.162 174.700 0.002 0.000 0.989 205 T CA -0.072 62.029 62.100 0.002 0.000 1.159 205 T CB 0.932 69.801 68.868 0.001 0.000 0.928 205 T HN -0.150 nan 8.240 nan 0.000 0.538 206 S N 2.389 118.091 115.700 0.002 0.000 2.632 206 S HA 0.529 4.999 4.470 -0.000 0.000 0.271 206 S C 0.197 174.802 174.600 0.007 0.000 1.260 206 S CA -0.781 57.420 58.200 0.002 0.000 1.010 206 S CB 0.601 63.799 63.200 -0.004 0.000 0.965 206 S HN 0.531 nan 8.310 nan 0.000 0.534 207 I N 2.258 122.833 120.570 0.009 0.000 2.389 207 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 207 I C -1.041 175.086 176.117 0.016 0.000 0.999 207 I CA -0.662 60.651 61.300 0.021 0.000 1.129 207 I CB 1.540 39.554 38.000 0.024 0.000 1.288 207 I HN 0.323 nan 8.210 nan 0.000 0.444 208 L N 7.903 129.141 121.223 0.026 0.000 2.314 208 L HA 0.566 4.906 4.340 -0.000 0.000 0.275 208 L C 0.394 177.283 176.870 0.032 0.000 1.068 208 L CA -0.403 54.434 54.840 -0.004 0.000 0.894 208 L CB 0.441 42.478 42.059 -0.037 0.000 1.275 208 L HN 0.639 nan 8.230 nan 0.000 0.432 209 A N 4.428 127.264 122.820 0.027 0.000 2.476 209 A HA 0.156 4.475 4.320 -0.000 0.000 0.275 209 A C -0.591 177.025 177.584 0.054 0.000 1.133 209 A CA -0.031 52.050 52.037 0.075 0.000 0.797 209 A CB -0.676 18.353 19.000 0.049 0.000 1.081 209 A HN 0.586 nan 8.150 nan 0.000 0.510 210 Y N 3.324 123.642 120.300 0.031 0.000 2.683 210 Y HA 0.064 4.614 4.550 -0.000 0.000 0.355 210 Y C 1.636 177.544 175.900 0.014 0.000 1.199 210 Y CA 0.654 58.774 58.100 0.033 0.000 1.654 210 Y CB 0.138 38.616 38.460 0.030 0.000 1.361 210 Y HN 0.746 nan 8.280 nan 0.000 0.493 211 S N 0.516 116.272 115.700 0.094 0.000 2.387 211 S HA -0.030 4.440 4.470 -0.000 0.000 0.221 211 S C 0.458 175.070 174.600 0.020 0.000 1.041 211 S CA 0.464 58.697 58.200 0.055 0.000 0.959 211 S CB 0.149 63.370 63.200 0.035 0.000 0.843 211 S HN 0.579 nan 8.310 nan 0.000 0.488 212 C N 3.169 122.482 119.300 0.022 0.000 2.288 212 C HA 0.520 4.980 4.460 -0.000 0.000 0.328 212 C C 0.021 174.975 174.990 -0.060 0.000 1.071 212 C CA -1.328 57.654 59.018 -0.060 0.000 1.594 212 C CB -1.094 26.691 27.740 0.075 0.000 1.700 212 C HN 0.336 nan 8.230 nan 0.000 0.436 213 K N 2.190 122.523 120.400 -0.111 0.000 2.293 213 K HA 0.503 4.823 4.320 -0.000 0.000 0.267 213 K C -1.198 175.302 176.600 -0.167 0.000 1.010 213 K CA -0.255 56.026 56.287 -0.010 0.000 0.875 213 K CB 0.669 33.229 32.500 0.100 0.000 1.106 213 K HN 0.524 nan 8.250 nan 0.000 0.450 214 Y N 1.362 121.630 120.300 -0.052 0.000 2.376 214 Y HA 0.341 4.891 4.550 -0.000 0.000 0.325 214 Y C 0.574 176.501 175.900 0.046 0.000 1.199 214 Y CA -0.715 57.341 58.100 -0.074 0.000 1.206 214 Y CB 1.733 39.994 38.460 -0.331 0.000 1.229 214 Y HN 0.669 nan 8.280 nan 0.000 0.480 215 A N 2.431 125.359 122.820 0.181 0.000 2.906 215 A HA 0.308 4.628 4.320 -0.000 0.000 0.289 215 A C 0.288 177.930 177.584 0.097 0.000 1.675 215 A CA 0.016 52.126 52.037 0.122 0.000 1.372 215 A CB -0.849 18.175 19.000 0.040 0.000 1.091 215 A HN 0.513 nan 8.150 nan 0.000 0.579 216 S N 0.736 116.434 115.700 -0.003 0.000 2.654 216 S HA 0.427 4.896 4.470 -0.000 0.000 0.283 216 S C 1.332 175.795 174.600 -0.229 0.000 1.180 216 S CA 0.055 58.155 58.200 -0.166 0.000 1.021 216 S CB 0.956 63.888 63.200 -0.447 0.000 1.018 216 S HN 1.069 nan 8.310 nan 0.000 0.532 217 S N 2.236 117.807 115.700 -0.214 0.000 2.605 217 S HA 0.226 4.696 4.470 -0.000 0.000 0.217 217 S C 0.457 174.855 174.600 -0.336 0.000 0.958 217 S CA -0.134 57.916 58.200 -0.251 0.000 0.919 217 S CB -0.483 62.552 63.200 -0.274 0.000 0.780 217 S HN 0.623 nan 8.310 nan 0.000 0.507 218 F N 0.844 120.647 119.950 -0.245 0.000 2.732 218 F HA 0.388 4.915 4.527 -0.000 0.000 0.303 218 F C 0.520 176.249 175.800 -0.119 0.000 1.110 218 F CA -0.591 57.312 58.000 -0.162 0.000 1.355 218 F CB -0.181 38.740 39.000 -0.132 0.000 1.081 218 F HN 0.234 nan 8.300 nan 0.000 0.565 219 Y N -0.988 119.394 120.300 0.138 0.000 2.466 219 Y HA 0.287 4.837 4.550 -0.000 0.000 0.272 219 Y C 2.202 178.147 175.900 0.075 0.000 1.169 219 Y CA -0.441 57.691 58.100 0.054 0.000 1.285 219 Y CB -1.089 37.342 38.460 -0.049 0.000 1.078 219 Y HN 0.054 nan 8.280 nan 0.000 0.523 220 G N 2.002 110.918 108.800 0.193 0.000 2.553 220 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 220 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 220 G C -0.469 174.517 174.900 0.143 0.000 1.195 220 G CA 0.965 46.172 45.100 0.179 0.000 0.779 220 G HN 0.269 nan 8.290 nan 0.000 0.577 221 P HA -0.101 nan 4.420 nan 0.000 0.218 221 P C 1.552 178.824 177.300 -0.048 0.000 1.148 221 P CA 0.713 63.838 63.100 0.043 0.000 0.822 221 P CB -0.131 31.607 31.700 0.063 0.000 0.784 222 F N 0.812 120.677 119.950 -0.140 0.000 2.186 222 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 222 F C 2.081 177.692 175.800 -0.314 0.000 1.090 222 F CA 1.333 59.196 58.000 -0.229 0.000 1.307 222 F CB -0.272 38.650 39.000 -0.131 0.000 1.019 222 F HN -0.278 nan 8.300 nan 0.000 0.489 223 R N 0.272 120.698 120.500 -0.123 0.000 2.115 223 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 223 R C 1.749 177.763 176.300 -0.477 0.000 1.111 223 R CA 1.360 57.187 56.100 -0.456 0.000 0.976 223 R CB -0.621 29.193 30.300 -0.810 0.000 0.870 223 R HN 0.331 nan 8.270 nan 0.000 0.445 224 D N 1.090 121.372 120.400 -0.196 0.000 2.097 224 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 224 D C 1.866 177.995 176.300 -0.285 0.000 0.989 224 D CA 1.565 55.517 54.000 -0.080 0.000 0.827 224 D CB -0.263 40.517 40.800 -0.034 0.000 0.966 224 D HN 0.208 nan 8.370 nan 0.000 0.456 225 A N 0.552 123.068 122.820 -0.506 0.000 1.933 225 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 225 A C 2.242 179.416 177.584 -0.683 0.000 1.175 225 A CA 0.989 52.562 52.037 -0.774 0.000 0.628 225 A CB -0.559 17.548 19.000 -1.488 0.000 0.814 225 A HN 0.242 nan 8.150 nan 0.000 0.444 226 L N -1.495 119.323 121.223 -0.676 0.000 2.607 226 L HA 0.095 4.435 4.340 -0.000 0.000 0.228 226 L C 0.465 177.161 176.870 -0.289 0.000 1.123 226 L CA 0.469 55.025 54.840 -0.473 0.000 0.890 226 L CB -0.223 41.504 42.059 -0.553 0.000 1.103 226 L HN 0.445 nan 8.230 nan 0.000 0.468 227 D N 1.089 121.342 120.400 -0.245 0.000 2.689 227 D HA -0.188 4.452 4.640 -0.000 0.000 0.237 227 D C 0.712 176.952 176.300 -0.101 0.000 1.148 227 D CA 0.852 54.787 54.000 -0.109 0.000 0.656 227 D CB -0.629 40.123 40.800 -0.079 0.000 1.050 227 D HN 0.433 nan 8.370 nan 0.000 0.426 228 S N -0.958 114.632 115.700 -0.183 0.000 2.664 228 S HA 0.127 4.597 4.470 -0.000 0.000 0.245 228 S C 0.493 174.999 174.600 -0.157 0.000 1.019 228 S CA -0.774 57.333 58.200 -0.155 0.000 0.996 228 S CB 0.085 63.183 63.200 -0.170 0.000 0.878 228 S HN 0.366 nan 8.310 nan 0.000 0.493 229 H N 1.649 120.680 119.070 -0.065 0.000 2.871 229 H HA 0.159 4.715 4.556 -0.000 0.000 0.355 229 H C 0.280 175.555 175.328 -0.089 0.000 1.092 229 H CA 0.339 56.352 56.048 -0.059 0.000 1.420 229 H CB 0.337 30.072 29.762 -0.046 0.000 1.400 229 H HN 0.308 nan 8.280 nan 0.000 0.604 230 M N 2.331 121.929 119.600 -0.002 0.000 2.239 230 M HA 0.004 4.484 4.480 -0.000 0.000 0.348 230 M C 0.517 176.811 176.300 -0.011 0.000 1.239 230 M CA 0.027 55.247 55.300 -0.133 0.000 1.114 230 M CB 0.319 32.808 32.600 -0.186 0.000 1.641 230 M HN 0.356 nan 8.290 nan 0.000 0.453 231 V N 0.991 120.908 119.914 0.005 0.000 3.133 231 V HA 0.709 4.829 4.120 -0.000 0.000 0.305 231 V C 1.078 177.211 176.094 0.065 0.000 1.084 231 V CA -0.379 61.947 62.300 0.042 0.000 1.089 231 V CB 0.263 32.117 31.823 0.052 0.000 1.073 231 V HN 1.188 nan 8.190 nan 0.000 0.477 232 G N 1.215 110.044 108.800 0.048 0.000 2.305 232 G HA2 0.067 4.027 3.960 -0.000 0.000 0.287 232 G HA3 0.067 4.027 3.960 -0.000 0.000 0.287 232 G C 1.142 176.072 174.900 0.051 0.000 1.036 232 G CA 0.472 45.602 45.100 0.049 0.000 0.887 232 G HN 2.826 nan 8.290 nan 0.000 0.505 233 G N -1.058 107.766 108.800 0.041 0.000 2.395 233 G HA2 0.091 4.051 3.960 -0.000 0.000 0.300 233 G HA3 0.091 4.051 3.960 -0.000 0.000 0.300 233 G C 0.782 175.718 174.900 0.059 0.000 0.998 233 G CA 1.547 46.670 45.100 0.038 0.000 1.046 233 G HN 2.426 nan 8.290 nan 0.000 0.513 234 T N -2.745 111.867 114.554 0.096 0.000 2.910 234 T HA 0.777 5.127 4.350 -0.000 0.000 0.279 234 T C -0.106 174.681 174.700 0.145 0.000 0.989 234 T CA 0.114 62.297 62.100 0.140 0.000 0.968 234 T CB 2.499 71.520 68.868 0.255 0.000 1.135 234 T HN 0.661 nan 8.240 nan 0.000 0.562 235 D N -1.624 118.874 120.400 0.164 0.000 2.744 235 D HA 0.381 5.021 4.640 -0.000 0.000 0.304 235 D C -0.574 175.801 176.300 0.125 0.000 1.179 235 D CA -1.077 52.998 54.000 0.124 0.000 1.024 235 D CB 1.121 41.947 40.800 0.042 0.000 1.453 235 D HN 0.528 nan 8.370 nan 0.000 0.529 236 K N -0.694 119.660 120.400 -0.076 0.000 2.593 236 K HA 0.224 4.544 4.320 -0.000 0.000 0.208 236 K C 0.420 176.662 176.600 -0.597 0.000 1.051 236 K CA -0.261 55.698 56.287 -0.547 0.000 1.111 236 K CB 0.552 32.703 32.500 -0.582 0.000 0.849 236 K HN 0.239 nan 8.250 nan 0.000 0.479 237 K N 0.638 120.892 120.400 -0.242 0.000 2.504 237 K HA -0.054 4.266 4.320 -0.000 0.000 0.195 237 K C 1.611 178.147 176.600 -0.107 0.000 1.036 237 K CA 1.208 57.411 56.287 -0.141 0.000 0.984 237 K CB 0.100 32.571 32.500 -0.048 0.000 0.788 237 K HN 0.189 nan 8.250 nan 0.000 0.488 238 T N -2.016 112.475 114.554 -0.105 0.000 3.129 238 T HA -0.008 4.342 4.350 -0.000 0.000 0.251 238 T C 1.178 175.952 174.700 0.123 0.000 1.117 238 T CA 0.185 62.298 62.100 0.022 0.000 1.034 238 T CB -0.189 68.724 68.868 0.076 0.000 0.968 238 T HN 0.392 nan 8.240 nan 0.000 0.526 239 Y N -0.781 119.527 120.300 0.012 0.000 2.965 239 Y HA 0.491 5.041 4.550 -0.000 0.000 0.242 239 Y C 0.747 176.645 175.900 -0.004 0.000 1.078 239 Y CA -1.125 56.977 58.100 0.003 0.000 1.288 239 Y CB 0.006 38.468 38.460 0.004 0.000 1.459 239 Y HN 0.044 nan 8.280 nan 0.000 0.438 240 Q N 1.944 121.663 119.800 -0.135 0.000 2.454 240 Q HA 0.322 4.662 4.340 -0.000 0.000 0.247 240 Q C -0.762 175.194 176.000 -0.073 0.000 1.028 240 Q CA -0.009 55.751 55.803 -0.073 0.000 0.910 240 Q CB 1.038 29.728 28.738 -0.080 0.000 1.276 240 Q HN 0.333 nan 8.270 nan 0.000 0.489 241 M N 1.399 120.926 119.600 -0.122 0.000 2.249 241 M HA 0.078 4.558 4.480 -0.000 0.000 0.351 241 M C -0.203 176.158 176.300 0.102 0.000 1.180 241 M CA -0.570 54.649 55.300 -0.136 0.000 1.127 241 M CB 0.812 33.089 32.600 -0.538 0.000 1.546 241 M HN 0.495 nan 8.290 nan 0.000 0.461 242 D N 4.307 124.789 120.400 0.136 0.000 2.451 242 D HA 0.041 4.681 4.640 -0.000 0.000 0.254 242 D C -1.810 174.719 176.300 0.382 0.000 1.204 242 D CA -1.373 52.747 54.000 0.201 0.000 0.896 242 D CB 0.965 41.844 40.800 0.132 0.000 1.136 242 D HN 0.239 nan 8.370 nan 0.000 0.499 243 P HA -0.056 nan 4.420 nan 0.000 0.229 243 P C 0.798 178.199 177.300 0.168 0.000 1.150 243 P CA 0.650 63.941 63.100 0.319 0.000 0.765 243 P CB 0.280 32.124 31.700 0.240 0.000 0.783 244 S N -1.685 114.110 115.700 0.158 0.000 2.522 244 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 244 S C 0.785 175.453 174.600 0.114 0.000 0.986 244 S CA 0.525 58.783 58.200 0.098 0.000 0.929 244 S CB -0.510 62.736 63.200 0.078 0.000 0.769 244 S HN 0.234 nan 8.310 nan 0.000 0.529 245 N N 0.764 119.580 118.700 0.193 0.000 2.372 245 N HA 0.352 5.092 4.740 -0.000 0.000 0.291 245 N C 0.462 176.118 175.510 0.243 0.000 1.024 245 N CA -0.210 52.953 53.050 0.189 0.000 0.873 245 N CB 1.957 40.553 38.487 0.182 0.000 1.206 245 N HN 0.169 nan 8.380 nan 0.000 0.486 246 S N 1.421 117.221 115.700 0.166 0.000 2.665 246 S HA 0.075 4.545 4.470 -0.000 0.000 0.240 246 S C 1.607 176.288 174.600 0.136 0.000 1.081 246 S CA -0.244 58.059 58.200 0.172 0.000 0.887 246 S CB 0.290 63.558 63.200 0.113 0.000 0.805 246 S HN 0.508 nan 8.310 nan 0.000 0.486 247 R N 1.664 122.224 120.500 0.099 0.000 2.096 247 R HA -0.162 4.178 4.340 -0.000 0.000 0.240 247 R C 2.305 178.651 176.300 0.076 0.000 1.139 247 R CA 1.928 58.074 56.100 0.075 0.000 0.952 247 R CB -0.450 29.886 30.300 0.060 0.000 0.854 247 R HN 0.668 nan 8.270 nan 0.000 0.436 248 E N -0.448 119.803 120.200 0.084 0.000 2.171 248 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 248 E C 1.689 178.323 176.600 0.058 0.000 0.997 248 E CA 1.289 57.729 56.400 0.065 0.000 0.810 248 E CB -0.113 29.627 29.700 0.066 0.000 0.738 248 E HN 0.533 nan 8.360 nan 0.000 0.467 249 A N 0.786 123.663 122.820 0.095 0.000 1.972 249 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 249 A C 1.876 179.500 177.584 0.068 0.000 1.169 249 A CA 1.470 53.561 52.037 0.089 0.000 0.635 249 A CB -0.373 18.738 19.000 0.185 0.000 0.810 249 A HN 0.306 nan 8.150 nan 0.000 0.446 250 E N -0.822 119.419 120.200 0.068 0.000 2.106 250 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 250 E C 2.310 178.934 176.600 0.039 0.000 0.984 250 E CA 0.907 57.338 56.400 0.052 0.000 0.806 250 E CB -0.144 29.586 29.700 0.049 0.000 0.750 250 E HN 0.587 nan 8.360 nan 0.000 0.458 251 R N 0.912 121.434 120.500 0.036 0.000 2.073 251 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 251 R C 2.065 178.379 176.300 0.023 0.000 1.134 251 R CA 1.271 57.388 56.100 0.028 0.000 0.952 251 R CB 0.077 30.393 30.300 0.027 0.000 0.850 251 R HN 0.081 nan 8.270 nan 0.000 0.433 252 E N 0.155 120.367 120.200 0.020 0.000 2.077 252 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 252 E C 1.836 178.449 176.600 0.022 0.000 0.989 252 E CA 1.417 57.826 56.400 0.015 0.000 0.800 252 E CB -0.196 29.503 29.700 -0.002 0.000 0.746 252 E HN 0.454 nan 8.360 nan 0.000 0.452 253 A N 1.208 124.045 122.820 0.028 0.000 1.929 253 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 253 A C 2.357 179.957 177.584 0.025 0.000 1.176 253 A CA 2.175 54.230 52.037 0.030 0.000 0.628 253 A CB -0.732 18.291 19.000 0.038 0.000 0.816 253 A HN 0.345 nan 8.150 nan 0.000 0.444 254 E N -0.104 120.111 120.200 0.025 0.000 2.077 254 E HA -0.022 4.327 4.350 -0.000 0.000 0.193 254 E C 2.302 178.914 176.600 0.019 0.000 0.989 254 E CA 2.075 58.488 56.400 0.021 0.000 0.800 254 E CB -1.211 28.502 29.700 0.021 0.000 0.746 254 E HN 0.984 nan 8.360 nan 0.000 0.452 255 A N 1.471 124.303 122.820 0.019 0.000 1.883 255 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 255 A C 2.136 179.731 177.584 0.018 0.000 1.186 255 A CA 1.996 54.044 52.037 0.018 0.000 0.624 255 A CB -0.417 18.594 19.000 0.018 0.000 0.822 255 A HN 0.458 nan 8.150 nan 0.000 0.444 256 D N -0.066 120.346 120.400 0.020 0.000 2.117 256 D HA -0.003 4.637 4.640 -0.000 0.000 0.198 256 D C 2.261 178.571 176.300 0.017 0.000 0.982 256 D CA 1.442 55.455 54.000 0.021 0.000 0.828 256 D CB -0.517 40.299 40.800 0.026 0.000 0.967 256 D HN 0.413 nan 8.370 nan 0.000 0.464 257 A N 0.996 123.826 122.820 0.016 0.000 1.883 257 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 257 A C 2.309 179.900 177.584 0.012 0.000 1.186 257 A CA 2.606 54.651 52.037 0.013 0.000 0.624 257 A CB -0.707 18.301 19.000 0.013 0.000 0.822 257 A HN 0.340 nan 8.150 nan 0.000 0.444 258 S N -0.485 115.223 115.700 0.012 0.000 2.489 258 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 258 S C 1.372 175.978 174.600 0.010 0.000 0.995 258 S CA 1.039 59.246 58.200 0.011 0.000 0.934 258 S CB -0.288 62.918 63.200 0.011 0.000 0.771 258 S HN 0.670 nan 8.310 nan 0.000 0.522 259 E N 0.947 121.154 120.200 0.012 0.000 2.427 259 E HA 0.203 4.553 4.350 -0.000 0.000 0.196 259 E C 1.278 177.884 176.600 0.010 0.000 1.028 259 E CA 0.344 56.751 56.400 0.011 0.000 0.864 259 E CB -0.125 29.584 29.700 0.014 0.000 0.813 259 E HN 0.756 nan 8.360 nan 0.000 0.514 260 G N 0.683 109.489 108.800 0.010 0.000 2.192 260 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.193 260 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.193 260 G C 0.385 175.289 174.900 0.008 0.000 0.999 260 G CA -0.214 44.890 45.100 0.008 0.000 0.659 260 G HN 0.432 nan 8.290 nan 0.000 0.503 261 A N 0.344 123.170 122.820 0.010 0.000 2.555 261 A HA 0.452 4.772 4.320 -0.000 0.000 0.233 261 A C 1.229 178.815 177.584 0.004 0.000 1.060 261 A CA 1.201 53.244 52.037 0.010 0.000 0.759 261 A CB 0.257 19.265 19.000 0.014 0.000 0.995 261 A HN 0.259 nan 8.150 nan 0.000 0.506 262 D N 0.588 120.988 120.400 0.000 0.000 2.262 262 D HA 0.121 4.761 4.640 -0.000 0.000 0.212 262 D C 0.380 176.673 176.300 -0.013 0.000 0.964 262 D CA 1.229 55.225 54.000 -0.006 0.000 0.875 262 D CB 0.126 40.921 40.800 -0.008 0.000 0.996 262 D HN 0.638 nan 8.370 nan 0.000 0.497 263 M N 0.313 119.902 119.600 -0.019 0.000 2.618 263 M HA 0.397 4.877 4.480 -0.000 0.000 0.281 263 M C -1.351 174.928 176.300 -0.035 0.000 1.267 263 M CA -0.627 54.654 55.300 -0.032 0.000 0.845 263 M CB 3.278 35.846 32.600 -0.052 0.000 1.732 263 M HN -0.310 nan 8.290 nan 0.000 0.461 264 L N 2.145 123.344 121.223 -0.039 0.000 2.333 264 L HA 0.646 4.986 4.340 -0.000 0.000 0.280 264 L C -0.987 175.843 176.870 -0.067 0.000 1.004 264 L CA -0.630 54.190 54.840 -0.034 0.000 0.820 264 L CB 1.991 44.048 42.059 -0.005 0.000 1.247 264 L HN 0.703 nan 8.230 nan 0.000 0.416 265 M N 4.056 123.587 119.600 -0.116 0.000 2.238 265 M HA 0.527 5.007 4.480 -0.000 0.000 0.350 265 M C -1.254 175.018 176.300 -0.047 0.000 1.138 265 M CA -0.206 54.989 55.300 -0.175 0.000 1.040 265 M CB 1.648 33.937 32.600 -0.519 0.000 1.639 265 M HN 0.243 nan 8.290 nan 0.000 0.451 266 V N 5.249 125.181 119.914 0.029 0.000 2.483 266 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 266 V C -0.526 175.671 176.094 0.171 0.000 1.035 266 V CA -0.721 61.655 62.300 0.127 0.000 0.896 266 V CB 1.738 33.669 31.823 0.180 0.000 0.986 266 V HN 0.854 nan 8.190 nan 0.000 0.447 267 K N 5.359 125.875 120.400 0.194 0.000 2.557 267 K HA 0.486 4.805 4.320 -0.000 0.000 0.257 267 K C -3.060 173.595 176.600 0.092 0.000 0.933 267 K CA -1.422 54.997 56.287 0.221 0.000 0.820 267 K CB 3.121 35.799 32.500 0.297 0.000 1.330 267 K HN 0.322 nan 8.250 nan 0.000 0.432 268 P HA 0.138 nan 4.420 nan 0.000 0.296 268 P C 0.017 177.534 177.300 0.360 0.000 1.295 268 P CA -0.136 63.098 63.100 0.223 0.000 0.754 268 P CB 0.532 32.341 31.700 0.182 0.000 1.311 269 G N -0.820 108.248 108.800 0.447 0.000 2.568 269 G HA2 0.002 3.962 3.960 -0.000 0.000 0.212 269 G HA3 0.002 3.962 3.960 -0.000 0.000 0.212 269 G C 1.289 176.436 174.900 0.412 0.000 1.821 269 G CA -0.029 45.464 45.100 0.653 0.000 0.904 269 G HN 0.328 nan 8.290 nan 0.000 0.566 270 L N 1.368 122.694 121.223 0.171 0.000 2.079 270 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 270 L C -0.372 176.432 176.870 -0.110 0.000 1.081 270 L CA 0.958 55.715 54.840 -0.139 0.000 0.752 270 L CB -1.072 40.871 42.059 -0.193 0.000 0.896 270 L HN 0.254 nan 8.230 nan 0.000 0.433 271 P HA -0.096 nan 4.420 nan 0.000 0.242 271 P C -0.082 176.815 177.300 -0.672 0.000 1.197 271 P CA 1.113 64.006 63.100 -0.344 0.000 0.765 271 P CB -0.056 31.423 31.700 -0.368 0.000 0.936 272 Y N -1.914 118.348 120.300 -0.063 0.000 2.721 272 Y HA 0.268 4.818 4.550 -0.000 0.000 0.251 272 Y C 1.644 177.546 175.900 0.004 0.000 1.136 272 Y CA -0.307 57.755 58.100 -0.063 0.000 1.142 272 Y CB -0.245 38.185 38.460 -0.051 0.000 1.212 272 Y HN -0.208 nan 8.280 nan 0.000 0.565 273 L N 0.614 121.863 121.223 0.044 0.000 2.127 273 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 273 L C 2.105 179.000 176.870 0.042 0.000 1.089 273 L CA 1.784 56.647 54.840 0.038 0.000 0.757 273 L CB -0.293 41.735 42.059 -0.051 0.000 0.899 273 L HN 0.460 nan 8.230 nan 0.000 0.434 274 D N -0.190 120.216 120.400 0.009 0.000 2.178 274 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 274 D C 2.001 178.341 176.300 0.066 0.000 0.980 274 D CA 1.136 55.147 54.000 0.018 0.000 0.842 274 D CB -0.409 40.384 40.800 -0.011 0.000 0.948 274 D HN 0.246 nan 8.370 nan 0.000 0.472 275 V N 0.713 120.696 119.914 0.115 0.000 2.446 275 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 275 V C 2.565 178.750 176.094 0.152 0.000 1.039 275 V CA 0.800 63.202 62.300 0.169 0.000 1.045 275 V CB -0.528 31.466 31.823 0.285 0.000 0.681 275 V HN 0.117 nan 8.190 nan 0.000 0.459 276 L N 1.439 122.757 121.223 0.158 0.000 1.990 276 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 276 L C 2.453 179.380 176.870 0.095 0.000 1.072 276 L CA 2.635 57.558 54.840 0.137 0.000 0.755 276 L CB -0.987 41.171 42.059 0.165 0.000 0.889 276 L HN 0.227 nan 8.230 nan 0.000 0.432 277 A N -0.935 121.931 122.820 0.077 0.000 1.933 277 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 277 A C 2.357 179.971 177.584 0.051 0.000 1.175 277 A CA 1.927 53.995 52.037 0.053 0.000 0.628 277 A CB -0.599 18.423 19.000 0.036 0.000 0.814 277 A HN 0.471 nan 8.150 nan 0.000 0.444 278 K N -0.192 120.245 120.400 0.061 0.000 2.026 278 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 278 K C 1.603 178.237 176.600 0.057 0.000 1.048 278 K CA 1.528 57.849 56.287 0.057 0.000 0.929 278 K CB -0.255 32.287 32.500 0.070 0.000 0.713 278 K HN 0.365 nan 8.250 nan 0.000 0.439 279 I N 0.666 121.276 120.570 0.068 0.000 2.406 279 I HA -0.089 4.080 4.170 -0.000 0.000 0.249 279 I C 2.209 178.353 176.117 0.044 0.000 1.122 279 I CA 0.889 62.224 61.300 0.058 0.000 1.431 279 I CB -1.069 36.971 38.000 0.068 0.000 1.087 279 I HN 0.176 nan 8.210 nan 0.000 0.424 280 R N 2.029 122.556 120.500 0.045 0.000 2.119 280 R HA -0.229 4.111 4.340 -0.000 0.000 0.246 280 R C 2.278 178.595 176.300 0.027 0.000 1.146 280 R CA 2.490 58.610 56.100 0.034 0.000 0.962 280 R CB -0.863 29.459 30.300 0.036 0.000 0.863 280 R HN 0.467 nan 8.270 nan 0.000 0.442 281 E N -0.367 119.851 120.200 0.030 0.000 2.150 281 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 281 E C 2.025 178.638 176.600 0.022 0.000 0.985 281 E CA 1.884 58.298 56.400 0.024 0.000 0.814 281 E CB -0.782 28.933 29.700 0.024 0.000 0.752 281 E HN 0.677 nan 8.360 nan 0.000 0.466 282 K N 0.001 120.417 120.400 0.026 0.000 2.353 282 K HA 0.449 4.769 4.320 -0.000 0.000 0.195 282 K C 1.256 177.869 176.600 0.022 0.000 1.031 282 K CA 0.622 56.923 56.287 0.024 0.000 1.079 282 K CB 0.380 32.897 32.500 0.029 0.000 0.857 282 K HN 0.378 nan 8.250 nan 0.000 0.535 283 S N 0.355 116.068 115.700 0.022 0.000 2.549 283 S HA 0.489 4.959 4.470 -0.000 0.000 0.297 283 S C -0.013 174.595 174.600 0.013 0.000 1.115 283 S CA -0.620 57.591 58.200 0.018 0.000 1.059 283 S CB 1.227 64.439 63.200 0.020 0.000 1.046 283 S HN 0.177 nan 8.310 nan 0.000 0.506 284 K N 2.703 123.109 120.400 0.010 0.000 2.374 284 K HA 0.359 4.679 4.320 -0.000 0.000 0.196 284 K C -0.005 176.598 176.600 0.004 0.000 1.023 284 K CA 0.148 56.439 56.287 0.007 0.000 1.103 284 K CB -0.329 32.175 32.500 0.006 0.000 0.848 284 K HN 0.550 nan 8.250 nan 0.000 0.528 285 L N 1.760 122.986 121.223 0.004 0.000 2.399 285 L HA 0.328 4.668 4.340 -0.000 0.000 0.265 285 L C -2.102 174.765 176.870 -0.005 0.000 1.089 285 L CA -2.235 52.604 54.840 -0.001 0.000 0.802 285 L CB 0.450 42.508 42.059 -0.001 0.000 1.180 285 L HN -0.206 nan 8.230 nan 0.000 0.454 286 P HA 0.126 nan 4.420 nan 0.000 0.268 286 P C -0.756 176.530 177.300 -0.023 0.000 1.205 286 P CA 0.040 63.129 63.100 -0.018 0.000 0.771 286 P CB 0.474 32.158 31.700 -0.027 0.000 0.858 287 M N 2.193 121.781 119.600 -0.021 0.000 2.423 287 M HA 0.424 4.904 4.480 -0.000 0.000 0.335 287 M C -0.485 175.787 176.300 -0.045 0.000 1.177 287 M CA -0.741 54.547 55.300 -0.020 0.000 1.038 287 M CB 1.583 34.187 32.600 0.007 0.000 1.641 287 M HN 0.022 nan 8.290 nan 0.000 0.455 288 V N 1.264 121.139 119.914 -0.065 0.000 2.789 288 V HA 0.895 5.015 4.120 -0.000 0.000 0.311 288 V C -0.419 175.621 176.094 -0.090 0.000 1.073 288 V CA -1.049 61.185 62.300 -0.111 0.000 0.921 288 V CB 1.854 33.577 31.823 -0.168 0.000 1.009 288 V HN 0.984 nan 8.190 nan 0.000 0.426 289 A N 2.641 125.384 122.820 -0.129 0.000 2.380 289 A HA 0.845 5.165 4.320 -0.000 0.000 0.315 289 A C -1.809 175.676 177.584 -0.166 0.000 1.101 289 A CA -0.551 51.445 52.037 -0.069 0.000 0.771 289 A CB 1.399 20.410 19.000 0.017 0.000 1.287 289 A HN 0.774 nan 8.150 nan 0.000 0.436 290 Y N 1.490 121.747 120.300 -0.071 0.000 2.334 290 Y HA 0.292 4.842 4.550 -0.000 0.000 0.336 290 Y C 0.190 176.161 175.900 0.118 0.000 0.960 290 Y CA -0.443 57.645 58.100 -0.020 0.000 1.164 290 Y CB 0.790 39.299 38.460 0.081 0.000 1.155 290 Y HN 0.758 nan 8.280 nan 0.000 0.478 291 H N 6.746 125.962 119.070 0.245 0.000 2.872 291 H HA 0.445 5.001 4.556 -0.000 0.000 0.273 291 H C -0.401 175.273 175.328 0.577 0.000 1.205 291 H CA -0.598 55.685 56.048 0.391 0.000 1.342 291 H CB 0.242 30.154 29.762 0.249 0.000 1.469 291 H HN 0.598 nan 8.280 nan 0.000 0.487 292 V N 2.529 122.691 119.914 0.413 0.000 3.214 292 V HA 0.078 4.198 4.120 -0.000 0.000 0.306 292 V C 1.582 177.906 176.094 0.383 0.000 1.078 292 V CA 0.160 62.687 62.300 0.378 0.000 1.077 292 V CB 1.226 33.189 31.823 0.233 0.000 1.121 292 V HN 0.834 nan 8.190 nan 0.000 0.468 293 S N 1.408 117.351 115.700 0.404 0.000 2.372 293 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 293 S C 1.916 176.665 174.600 0.247 0.000 1.044 293 S CA 1.655 59.994 58.200 0.231 0.000 1.050 293 S CB -1.551 61.752 63.200 0.172 0.000 0.901 293 S HN 1.603 nan 8.310 nan 0.000 0.447 294 G N 1.281 110.244 108.800 0.272 0.000 2.432 294 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 294 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 294 G C 1.398 176.471 174.900 0.288 0.000 1.135 294 G CA 0.798 46.088 45.100 0.317 0.000 0.767 294 G HN 0.703 nan 8.290 nan 0.000 0.550 295 E N -0.861 119.438 120.200 0.165 0.000 2.112 295 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 295 E C 2.031 178.690 176.600 0.099 0.000 0.979 295 E CA 0.384 56.816 56.400 0.053 0.000 0.814 295 E CB -0.221 29.434 29.700 -0.075 0.000 0.762 295 E HN 0.500 nan 8.360 nan 0.000 0.460 296 Y N 1.883 122.156 120.300 -0.046 0.000 2.114 296 Y HA -0.291 4.259 4.550 -0.000 0.000 0.282 296 Y C 2.276 178.239 175.900 0.105 0.000 1.165 296 Y CA 1.683 59.818 58.100 0.058 0.000 1.148 296 Y CB -0.417 38.072 38.460 0.049 0.000 0.972 296 Y HN -0.005 nan 8.280 nan 0.000 0.504 297 A N 0.058 122.935 122.820 0.095 0.000 1.933 297 A HA -0.201 4.118 4.320 -0.000 0.000 0.218 297 A C 2.292 179.887 177.584 0.017 0.000 1.175 297 A CA 1.959 54.001 52.037 0.008 0.000 0.628 297 A CB -0.771 18.287 19.000 0.096 0.000 0.814 297 A HN 0.615 nan 8.150 nan 0.000 0.444 298 M N -0.891 118.765 119.600 0.093 0.000 2.132 298 M HA -0.058 4.422 4.480 -0.000 0.000 0.263 298 M C 2.121 178.477 176.300 0.094 0.000 1.065 298 M CA 1.268 56.634 55.300 0.111 0.000 1.122 298 M CB -0.407 32.290 32.600 0.161 0.000 1.365 298 M HN 0.372 nan 8.290 nan 0.000 0.411 299 L N -0.201 121.091 121.223 0.115 0.000 2.017 299 L HA -0.230 4.109 4.340 -0.000 0.000 0.208 299 L C 2.680 179.598 176.870 0.079 0.000 1.073 299 L CA 1.137 56.062 54.840 0.142 0.000 0.745 299 L CB -0.512 41.728 42.059 0.301 0.000 0.894 299 L HN 0.213 nan 8.230 nan 0.000 0.432 300 K N -0.149 120.229 120.400 -0.036 0.000 2.025 300 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 300 K C 2.163 178.735 176.600 -0.047 0.000 1.049 300 K CA 1.410 57.649 56.287 -0.080 0.000 0.933 300 K CB -0.423 31.907 32.500 -0.284 0.000 0.714 300 K HN 0.279 nan 8.250 nan 0.000 0.438 301 A N 1.504 124.301 122.820 -0.039 0.000 1.892 301 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 301 A C 2.403 179.946 177.584 -0.068 0.000 1.188 301 A CA 2.493 54.510 52.037 -0.033 0.000 0.631 301 A CB -0.697 18.309 19.000 0.009 0.000 0.822 301 A HN 0.344 nan 8.150 nan 0.000 0.447 302 A N -0.624 122.190 122.820 -0.010 0.000 1.968 302 A HA 0.266 4.586 4.320 -0.000 0.000 0.217 302 A C 2.467 179.992 177.584 -0.099 0.000 1.169 302 A CA 1.837 53.867 52.037 -0.012 0.000 0.638 302 A CB -0.874 18.214 19.000 0.147 0.000 0.812 302 A HN 1.033 nan 8.150 nan 0.000 0.446 303 A N -0.107 122.690 122.820 -0.038 0.000 1.873 303 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 303 A C 1.884 179.423 177.584 -0.075 0.000 1.186 303 A CA 1.698 53.715 52.037 -0.032 0.000 0.616 303 A CB -0.529 18.487 19.000 0.027 0.000 0.823 303 A HN 0.565 nan 8.150 nan 0.000 0.442 304 E N -0.326 119.823 120.200 -0.084 0.000 2.160 304 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 304 E C 1.742 178.244 176.600 -0.165 0.000 0.991 304 E CA 1.394 57.739 56.400 -0.092 0.000 0.810 304 E CB -0.070 29.587 29.700 -0.071 0.000 0.742 304 E HN 0.568 nan 8.360 nan 0.000 0.466 305 K N -1.176 119.033 120.400 -0.318 0.000 2.426 305 K HA 0.072 4.391 4.320 -0.000 0.000 0.193 305 K C 0.888 177.224 176.600 -0.439 0.000 1.028 305 K CA 0.471 56.451 56.287 -0.512 0.000 1.047 305 K CB 0.666 32.543 32.500 -1.038 0.000 0.821 305 K HN 0.236 nan 8.250 nan 0.000 0.513 306 G N 0.804 109.448 108.800 -0.259 0.000 2.143 306 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 306 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 306 G C 0.379 175.302 174.900 0.039 0.000 0.991 306 G CA 0.279 45.327 45.100 -0.087 0.000 0.689 306 G HN 0.236 nan 8.290 nan 0.000 0.522 307 Y N -0.082 120.216 120.300 -0.003 0.000 2.395 307 Y HA 0.332 4.882 4.550 -0.000 0.000 0.293 307 Y C 1.952 177.844 175.900 -0.014 0.000 1.123 307 Y CA 0.465 58.562 58.100 -0.006 0.000 1.227 307 Y CB -0.166 38.293 38.460 -0.001 0.000 1.012 307 Y HN 0.704 nan 8.280 nan 0.000 0.552 308 I N -4.252 116.390 120.570 0.120 0.000 3.074 308 I HA 0.552 4.722 4.170 -0.000 0.000 0.310 308 I C -0.222 175.893 176.117 -0.004 0.000 1.153 308 I CA -1.436 59.892 61.300 0.047 0.000 0.993 308 I CB 2.196 40.222 38.000 0.043 0.000 1.237 308 I HN -0.312 nan 8.210 nan 0.000 0.443 309 S N 1.922 117.596 115.700 -0.042 0.000 2.439 309 S HA 0.171 4.641 4.470 -0.000 0.000 0.282 309 S C 0.853 175.383 174.600 -0.117 0.000 1.170 309 S CA -0.182 57.967 58.200 -0.085 0.000 1.054 309 S CB 0.567 63.696 63.200 -0.118 0.000 0.956 309 S HN 0.896 nan 8.310 nan 0.000 0.490 310 E N 4.414 124.556 120.200 -0.098 0.000 2.049 310 E HA -0.255 4.094 4.350 -0.000 0.000 0.198 310 E C 1.834 178.282 176.600 -0.253 0.000 1.007 310 E CA 1.727 58.075 56.400 -0.087 0.000 0.809 310 E CB -0.130 29.593 29.700 0.037 0.000 0.749 310 E HN 0.829 nan 8.360 nan 0.000 0.450 311 K N 0.097 120.211 120.400 -0.477 0.000 2.002 311 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 311 K C 1.874 178.083 176.600 -0.652 0.000 1.048 311 K CA 1.874 57.564 56.287 -0.995 0.000 0.930 311 K CB -0.075 31.690 32.500 -1.226 0.000 0.714 311 K HN 0.102 nan 8.250 nan 0.000 0.438 312 D N 0.246 120.369 120.400 -0.462 0.000 2.106 312 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 312 D C 2.026 178.175 176.300 -0.252 0.000 0.997 312 D CA 2.213 56.007 54.000 -0.344 0.000 0.834 312 D CB -0.643 40.007 40.800 -0.251 0.000 0.956 312 D HN 0.527 nan 8.370 nan 0.000 0.448 313 T N -1.032 113.402 114.554 -0.199 0.000 2.746 313 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 313 T C 2.249 176.872 174.700 -0.129 0.000 1.039 313 T CA 1.199 63.221 62.100 -0.132 0.000 1.142 313 T CB -0.785 68.037 68.868 -0.076 0.000 0.866 313 T HN -0.024 nan 8.240 nan 0.000 0.444 314 V N 1.734 121.544 119.914 -0.174 0.000 2.295 314 V HA -0.065 4.055 4.120 -0.000 0.000 0.246 314 V C 2.822 178.872 176.094 -0.072 0.000 1.049 314 V CA 1.585 63.793 62.300 -0.153 0.000 1.024 314 V CB -0.761 30.907 31.823 -0.258 0.000 0.648 314 V HN 0.459 nan 8.190 nan 0.000 0.447 315 L N -0.203 120.957 121.223 -0.104 0.000 2.046 315 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 315 L C 2.599 179.429 176.870 -0.067 0.000 1.077 315 L CA 2.046 56.844 54.840 -0.070 0.000 0.747 315 L CB -0.565 41.379 42.059 -0.191 0.000 0.896 315 L HN 0.443 nan 8.230 nan 0.000 0.432 316 E N 0.000 120.138 120.200 -0.104 0.000 2.153 316 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 316 E C 2.227 178.777 176.600 -0.083 0.000 0.988 316 E CA 1.123 57.469 56.400 -0.089 0.000 0.811 316 E CB 0.172 29.812 29.700 -0.100 0.000 0.746 316 E HN 0.241 nan 8.360 nan 0.000 0.466 317 V N 1.179 121.041 119.914 -0.087 0.000 2.295 317 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 317 V C 2.398 178.463 176.094 -0.047 0.000 1.049 317 V CA 1.623 63.848 62.300 -0.125 0.000 1.024 317 V CB -0.376 31.379 31.823 -0.113 0.000 0.648 317 V HN 0.361 nan 8.190 nan 0.000 0.447 318 L N -0.312 120.948 121.223 0.061 0.000 2.083 318 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 318 L C 2.552 179.496 176.870 0.124 0.000 1.083 318 L CA 1.511 56.455 54.840 0.172 0.000 0.752 318 L CB -0.657 41.467 42.059 0.108 0.000 0.899 318 L HN 0.282 nan 8.230 nan 0.000 0.433 319 K N 0.435 120.863 120.400 0.045 0.000 2.057 319 K HA -0.118 4.201 4.320 -0.000 0.000 0.207 319 K C 2.212 178.816 176.600 0.006 0.000 1.049 319 K CA 1.726 58.028 56.287 0.025 0.000 0.931 319 K CB -0.309 32.191 32.500 -0.000 0.000 0.714 319 K HN 0.047 nan 8.250 nan 0.000 0.440 320 S N 0.023 115.692 115.700 -0.051 0.000 2.359 320 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 320 S C 1.690 176.238 174.600 -0.086 0.000 1.035 320 S CA 1.392 59.524 58.200 -0.112 0.000 1.018 320 S CB -0.481 62.591 63.200 -0.214 0.000 0.876 320 S HN 0.271 nan 8.310 nan 0.000 0.448 321 F N 1.402 121.330 119.950 -0.036 0.000 2.161 321 F HA -0.074 4.453 4.527 -0.000 0.000 0.300 321 F C 2.531 178.321 175.800 -0.017 0.000 1.089 321 F CA 1.256 59.242 58.000 -0.023 0.000 1.282 321 F CB -0.322 38.657 39.000 -0.036 0.000 1.010 321 F HN 0.044 nan 8.300 nan 0.000 0.485 322 R N 0.172 120.781 120.500 0.182 0.000 2.093 322 R HA -0.032 4.308 4.340 -0.000 0.000 0.224 322 R C 2.411 178.744 176.300 0.055 0.000 1.101 322 R CA 0.910 57.068 56.100 0.096 0.000 0.979 322 R CB -0.275 30.066 30.300 0.068 0.000 0.877 322 R HN 0.085 nan 8.270 nan 0.000 0.441 323 R N -0.211 120.311 120.500 0.036 0.000 2.096 323 R HA -0.047 4.292 4.340 -0.000 0.000 0.235 323 R C 1.663 177.974 176.300 0.019 0.000 1.127 323 R CA 1.520 57.628 56.100 0.015 0.000 0.968 323 R CB -0.283 30.014 30.300 -0.005 0.000 0.861 323 R HN 0.288 nan 8.270 nan 0.000 0.440 324 A N -0.521 122.316 122.820 0.027 0.000 2.209 324 A HA 0.104 4.424 4.320 -0.000 0.000 0.212 324 A C 1.297 178.914 177.584 0.055 0.000 1.158 324 A CA 1.178 53.235 52.037 0.033 0.000 0.742 324 A CB -0.101 18.916 19.000 0.028 0.000 0.790 324 A HN 0.619 nan 8.150 nan 0.000 0.472 325 G N -2.842 105.994 108.800 0.060 0.000 2.173 325 G HA2 0.245 4.205 3.960 -0.000 0.000 0.142 325 G HA3 0.245 4.205 3.960 -0.000 0.000 0.142 325 G C 0.174 175.105 174.900 0.052 0.000 1.019 325 G CA -0.043 45.086 45.100 0.049 0.000 0.699 325 G HN 1.380 nan 8.290 nan 0.000 0.495 326 A N 0.475 123.339 122.820 0.075 0.000 2.354 326 A HA 0.589 4.909 4.320 -0.000 0.000 0.281 326 A C 1.112 178.703 177.584 0.011 0.000 1.174 326 A CA 0.514 52.579 52.037 0.048 0.000 0.828 326 A CB 0.348 19.390 19.000 0.071 0.000 1.099 326 A HN 0.184 nan 8.150 nan 0.000 0.516 327 D N 1.517 121.908 120.400 -0.014 0.000 2.162 327 D HA 0.130 4.770 4.640 -0.000 0.000 0.203 327 D C 0.846 177.114 176.300 -0.054 0.000 0.967 327 D CA 1.800 55.782 54.000 -0.029 0.000 0.840 327 D CB 0.266 41.047 40.800 -0.032 0.000 0.972 327 D HN 0.659 nan 8.370 nan 0.000 0.482 328 A N 0.279 123.049 122.820 -0.083 0.000 2.454 328 A HA 0.584 4.904 4.320 -0.000 0.000 0.302 328 A C -1.001 176.470 177.584 -0.189 0.000 1.079 328 A CA -0.522 51.438 52.037 -0.128 0.000 0.731 328 A CB 2.285 21.202 19.000 -0.138 0.000 1.299 328 A HN -0.088 nan 8.150 nan 0.000 0.413 329 V N 1.056 120.823 119.914 -0.245 0.000 2.525 329 V HA 0.635 4.755 4.120 -0.000 0.000 0.299 329 V C 0.380 176.240 176.094 -0.390 0.000 1.034 329 V CA -0.423 61.646 62.300 -0.384 0.000 0.863 329 V CB 1.463 33.002 31.823 -0.473 0.000 0.999 329 V HN 1.327 nan 8.190 nan 0.000 0.423 330 A N 3.237 125.758 122.820 -0.499 0.000 2.347 330 A HA 0.712 5.032 4.320 -0.000 0.000 0.287 330 A C 0.184 177.456 177.584 -0.519 0.000 1.199 330 A CA -0.016 51.631 52.037 -0.650 0.000 0.851 330 A CB 0.526 18.825 19.000 -1.168 0.000 1.118 330 A HN 0.869 nan 8.150 nan 0.000 0.525 331 T N 1.733 116.079 114.554 -0.347 0.000 3.041 331 T HA 0.440 4.790 4.350 -0.000 0.000 0.321 331 T C -0.085 174.556 174.700 -0.097 0.000 1.184 331 T CA -0.342 61.719 62.100 -0.066 0.000 1.050 331 T CB 0.410 69.390 68.868 0.187 0.000 1.159 331 T HN 0.411 nan 8.240 nan 0.000 0.469 332 Y N 2.450 122.815 120.300 0.108 0.000 2.571 332 Y HA 0.101 4.651 4.550 -0.000 0.000 0.294 332 Y C 1.258 177.116 175.900 -0.071 0.000 1.141 332 Y CA 0.604 58.642 58.100 -0.104 0.000 1.308 332 Y CB -0.228 37.803 38.460 -0.715 0.000 1.002 332 Y HN 0.698 nan 8.280 nan 0.000 0.551 333 Y N -0.860 119.613 120.300 0.290 0.000 2.529 333 Y HA 0.158 4.708 4.550 -0.000 0.000 0.290 333 Y C 2.131 177.978 175.900 -0.087 0.000 1.177 333 Y CA -0.185 58.027 58.100 0.187 0.000 1.305 333 Y CB -0.553 38.092 38.460 0.308 0.000 1.047 333 Y HN 0.127 nan 8.280 nan 0.000 0.522 334 A N 0.443 123.233 122.820 -0.050 0.000 1.883 334 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 334 A C 2.344 179.684 177.584 -0.407 0.000 1.186 334 A CA 2.032 53.939 52.037 -0.216 0.000 0.624 334 A CB -0.465 18.402 19.000 -0.222 0.000 0.822 334 A HN 0.410 nan 8.150 nan 0.000 0.444 335 K N -0.583 119.347 120.400 -0.784 0.000 2.057 335 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 335 K C 2.013 178.332 176.600 -0.468 0.000 1.050 335 K CA 1.777 57.691 56.287 -0.623 0.000 0.935 335 K CB -0.145 31.918 32.500 -0.729 0.000 0.715 335 K HN 0.413 nan 8.250 nan 0.000 0.439 336 E N 0.294 120.220 120.200 -0.456 0.000 2.106 336 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 336 E C 1.629 177.625 176.600 -1.006 0.000 0.984 336 E CA 1.315 57.288 56.400 -0.712 0.000 0.806 336 E CB -0.123 29.264 29.700 -0.522 0.000 0.750 336 E HN 0.427 nan 8.360 nan 0.000 0.458 337 A N 0.761 123.274 122.820 -0.512 0.000 1.877 337 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 337 A C 2.441 179.971 177.584 -0.090 0.000 1.186 337 A CA 1.942 53.890 52.037 -0.148 0.000 0.620 337 A CB -1.068 17.951 19.000 0.032 0.000 0.822 337 A HN 0.374 nan 8.150 nan 0.000 0.443 338 A N -0.232 122.485 122.820 -0.172 0.000 1.940 338 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 338 A C 2.124 179.587 177.584 -0.202 0.000 1.176 338 A CA 2.196 54.165 52.037 -0.114 0.000 0.631 338 A CB -0.455 18.498 19.000 -0.078 0.000 0.814 338 A HN 0.587 nan 8.150 nan 0.000 0.446 339 K N -1.440 118.656 120.400 -0.507 0.000 2.057 339 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 339 K C 1.820 178.278 176.600 -0.237 0.000 1.050 339 K CA 1.435 57.271 56.287 -0.751 0.000 0.935 339 K CB -0.247 31.624 32.500 -1.048 0.000 0.715 339 K HN 0.626 nan 8.250 nan 0.000 0.439 340 W N 0.855 122.100 121.300 -0.092 0.000 2.363 340 W HA -0.089 4.571 4.660 -0.000 0.000 0.296 340 W C 1.977 178.568 176.519 0.120 0.000 1.212 340 W CA 0.726 58.104 57.345 0.056 0.000 1.260 340 W CB -0.649 28.878 29.460 0.112 0.000 1.131 340 W HN 0.188 nan 8.180 nan 0.000 0.530 341 M N -0.628 119.140 119.600 0.280 0.000 2.156 341 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 341 M C 1.977 178.271 176.300 -0.010 0.000 1.067 341 M CA 1.251 56.605 55.300 0.089 0.000 1.131 341 M CB -0.902 31.749 32.600 0.084 0.000 1.368 341 M HN -0.303 nan 8.290 nan 0.000 0.416 342 V N 0.481 120.412 119.914 0.028 0.000 2.307 342 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 342 V C 2.043 178.165 176.094 0.047 0.000 1.045 342 V CA 1.868 64.198 62.300 0.050 0.000 1.024 342 V CB -0.722 31.187 31.823 0.143 0.000 0.651 342 V HN 0.464 nan 8.190 nan 0.000 0.449 343 E N -0.058 120.179 120.200 0.062 0.000 2.058 343 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 343 E C 1.999 178.629 176.600 0.051 0.000 0.997 343 E CA 1.755 58.202 56.400 0.079 0.000 0.801 343 E CB -0.235 29.538 29.700 0.121 0.000 0.746 343 E HN 0.642 nan 8.360 nan 0.000 0.450 344 D N 0.122 120.537 120.400 0.024 0.000 2.117 344 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 344 D C 1.869 178.098 176.300 -0.119 0.000 0.987 344 D CA 1.024 54.975 54.000 -0.082 0.000 0.829 344 D CB 0.049 40.619 40.800 -0.384 0.000 0.961 344 D HN 0.000 nan 8.370 nan 0.000 0.460 345 M N 0.056 119.584 119.600 -0.119 0.000 2.254 345 M HA 0.028 4.508 4.480 -0.000 0.000 0.265 345 M C 1.518 177.795 176.300 -0.038 0.000 1.066 345 M CA 1.413 56.657 55.300 -0.094 0.000 1.123 345 M CB 0.114 32.669 32.600 -0.075 0.000 1.388 345 M HN -0.144 nan 8.290 nan 0.000 0.425 346 K N -0.928 119.467 120.400 -0.009 0.000 2.400 346 K HA 0.168 4.488 4.320 -0.000 0.000 0.194 346 K C 1.321 177.928 176.600 0.012 0.000 1.033 346 K CA 0.592 56.886 56.287 0.011 0.000 1.021 346 K CB 0.149 32.669 32.500 0.034 0.000 0.808 346 K HN 0.486 nan 8.250 nan 0.000 0.505 347 G N 0.089 108.893 108.800 0.007 0.000 3.157 347 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.206 347 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.206 347 G C 0.891 175.794 174.900 0.006 0.000 1.903 347 G CA -0.116 44.994 45.100 0.016 0.000 0.771 347 G HN -0.039 nan 8.290 nan 0.000 0.750 348 T N 0.915 115.475 114.554 0.010 0.000 3.088 348 T HA 0.102 4.452 4.350 -0.000 0.000 0.259 348 T C 0.748 175.443 174.700 -0.008 0.000 1.122 348 T CA 0.740 62.846 62.100 0.009 0.000 1.095 348 T CB -0.196 68.689 68.868 0.028 0.000 0.930 348 T HN 0.490 nan 8.240 nan 0.000 0.508 349 Q N -0.122 119.653 119.800 -0.042 0.000 2.435 349 Q HA -0.259 4.081 4.340 -0.000 0.000 0.312 349 Q C 1.417 177.386 176.000 -0.051 0.000 1.333 349 Q CA 0.735 56.486 55.803 -0.085 0.000 0.883 349 Q CB -1.588 27.112 28.738 -0.063 0.000 1.170 349 Q HN 0.677 nan 8.270 nan 0.000 0.443 350 K N 0.392 120.793 120.400 0.001 0.000 2.228 350 K HA 0.019 4.338 4.320 -0.000 0.000 0.202 350 K C 1.071 177.769 176.600 0.163 0.000 1.051 350 K CA 1.511 57.852 56.287 0.090 0.000 0.960 350 K CB -0.197 32.389 32.500 0.145 0.000 0.743 350 K HN 0.612 nan 8.250 nan 0.000 0.458 351 F N -1.234 118.709 119.950 -0.011 0.000 2.915 351 F HA 0.298 4.825 4.527 -0.000 0.000 0.347 351 F C 0.299 176.097 175.800 -0.003 0.000 1.104 351 F CA 0.003 57.995 58.000 -0.013 0.000 1.126 351 F CB 0.246 39.229 39.000 -0.028 0.000 1.145 351 F HN -0.038 nan 8.300 nan 0.000 0.541 352 T N -0.644 113.643 114.554 -0.444 0.000 2.942 352 T HA 0.760 5.110 4.350 -0.000 0.000 0.289 352 T C -0.804 173.798 174.700 -0.163 0.000 1.044 352 T CA -0.340 61.550 62.100 -0.349 0.000 1.023 352 T CB 2.777 71.337 68.868 -0.514 0.000 1.123 352 T HN 0.541 nan 8.240 nan 0.000 0.512 353 E N -0.277 119.863 120.200 -0.101 0.000 2.437 353 E HA 0.601 4.951 4.350 -0.000 0.000 0.280 353 E C -3.161 173.420 176.600 -0.031 0.000 1.044 353 E CA -2.109 54.258 56.400 -0.054 0.000 0.826 353 E CB 0.378 30.062 29.700 -0.028 0.000 1.358 353 E HN 0.441 nan 8.360 nan 0.000 0.459 354 P HA 0.253 nan 4.420 nan 0.000 0.274 354 P C -0.521 176.801 177.300 0.037 0.000 1.231 354 P CA -0.405 62.706 63.100 0.018 0.000 0.790 354 P CB 0.473 32.193 31.700 0.033 0.000 0.951 355 C N 1.338 120.669 119.300 0.052 0.000 3.080 355 C HA 0.934 5.393 4.460 -0.000 0.000 0.307 355 C C -1.007 174.067 174.990 0.140 0.000 1.311 355 C CA -0.892 58.155 59.018 0.048 0.000 1.533 355 C CB 0.816 28.547 27.740 -0.014 0.000 1.970 355 C HN 0.771 nan 8.230 nan 0.000 0.467 356 Y N 0.000 120.296 120.300 -0.006 0.000 2.660 356 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 356 Y CA 0.000 58.096 58.100 -0.006 0.000 1.940 356 Y CB 0.000 38.457 38.460 -0.005 0.000 1.050 356 Y HN 0.000 nan 8.280 nan 0.000 0.758