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 2o3e_1_A DATA FIRST_RESID 14 DATA SEQUENCE MSSYTAAGRN VLRWDLSPEQ IKTRTEQLIA QTKQVYDTVG TIALKEVTYE DATA SEQUENCE NCLQVLADIE VTYIVERTML DFPQHVSSDR EVRAASTEAD KKLSRFDIEM DATA SEQUENCE SMREDVFQRI VHLQETCDLE KIKPEARRYL EKSIKMGKRN GLHLSEHIRN DATA SEQUENCE EIKSMKKRMS ELCIDFNKNL NEDDTSLVFS KAELGALPDD FIDSLEKTDE DATA SEQUENCE DKYKVTLKYP HYFPVMKKCC VPETRRKMEM AFHTRCKQEN TAILQQLLPL DATA SEQUENCE RAQVAKLLGY NTHADFVLEL NTAKSTSRVA AFLDDLSQKL KPLGEAEREF DATA SEQUENCE ILSLKKKECE ERGFEYDGKI NAWDLHYYMT QTEELKYSVD QESLKEYFPI DATA SEQUENCE EVVTEGLLSI YQELLGLSFE QVPDAHVWNK SVSLYTVKDK ATGEVLGQFY DATA SEQUENCE LDLYPREGKY NHAACFGLQP GCLLPDGSRM MSVAALVVNF SQPVAGRPSL DATA SEQUENCE LRHDEVETYF HEFGHVMHQI CAQTDFARFS GTNVERDFVE VPSQMLENWV DATA SEQUENCE WDVDSLRKLS KHYKDGHPIT DELLEKLVAS RLVNTGLLTL RQIVLSKVDQ DATA SEQUENCE SLHTNATLDA ASEYAKYCTE ILGVAATPGT NMPATFGHLA GGYDGQYYGY DATA SEQUENCE LWSEVFSMDM FHSCFKKEGI MNPEVGMKYR NLILKPGGSL DGMDMLQNFL DATA SEQUENCE QREPNQKAFL MSRGL 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.319 176.300 0.031 0.000 1.140 14 M CA 0.000 55.311 55.300 0.019 0.000 0.988 14 M CB 0.000 32.606 32.600 0.010 0.000 1.302 15 S N 0.669 116.402 115.700 0.055 0.000 2.559 15 S HA 0.111 4.632 4.470 0.085 0.000 0.282 15 S C 0.889 175.532 174.600 0.071 0.000 1.336 15 S CA 0.424 58.687 58.200 0.105 0.000 1.037 15 S CB 0.666 63.958 63.200 0.153 0.000 0.853 15 S HN 0.704 nan 8.310 nan 0.000 0.523 16 S N 3.018 118.755 115.700 0.062 0.000 2.593 16 S HA 0.153 4.674 4.470 0.085 0.000 0.217 16 S C -0.173 174.139 174.600 -0.480 0.000 0.966 16 S CA 0.042 58.121 58.200 -0.202 0.000 0.914 16 S CB -0.264 62.760 63.200 -0.293 0.000 0.776 16 S HN 0.774 nan 8.310 nan 0.000 0.523 17 Y N 1.161 121.468 120.300 0.011 0.000 2.681 17 Y HA 0.427 5.028 4.550 0.085 0.000 0.267 17 Y C 0.830 176.737 175.900 0.011 0.000 1.166 17 Y CA -0.450 57.658 58.100 0.013 0.000 1.209 17 Y CB 0.463 38.929 38.460 0.011 0.000 1.161 17 Y HN 0.070 nan 8.280 nan 0.000 0.534 18 T N -1.407 113.184 114.554 0.061 0.000 2.821 18 T HA 0.672 5.074 4.350 0.085 0.000 0.306 18 T C 0.094 174.799 174.700 0.009 0.000 1.313 18 T CA 0.053 62.179 62.100 0.043 0.000 1.012 18 T CB 1.318 70.218 68.868 0.052 0.000 1.298 18 T HN -0.013 nan 8.240 nan 0.000 0.502 19 A N 1.237 124.060 122.820 0.004 0.000 2.343 19 A HA 0.747 5.118 4.320 0.085 0.000 0.223 19 A C 1.253 178.836 177.584 -0.002 0.000 1.214 19 A CA 0.609 52.642 52.037 -0.007 0.000 0.900 19 A CB -0.441 18.549 19.000 -0.018 0.000 0.942 19 A HN 1.332 nan 8.150 nan 0.000 0.507 20 A N 0.008 122.830 122.820 0.004 0.000 2.561 20 A HA 0.402 4.774 4.320 0.085 0.000 0.251 20 A C 1.713 179.298 177.584 0.002 0.000 1.062 20 A CA 0.794 52.833 52.037 0.003 0.000 0.761 20 A CB -1.015 17.989 19.000 0.007 0.000 0.986 20 A HN 1.984 nan 8.150 nan 0.000 0.510 21 G N 2.575 111.374 108.800 -0.002 0.000 2.196 21 G HA2 -0.331 3.680 3.960 0.085 0.000 0.268 21 G HA3 -0.331 3.680 3.960 0.085 0.000 0.268 21 G C 1.044 175.941 174.900 -0.004 0.000 0.975 21 G CA 0.850 45.947 45.100 -0.005 0.000 0.648 21 G HN 0.829 nan 8.290 nan 0.000 0.538 22 R N -0.179 120.321 120.500 -0.000 0.000 2.297 22 R HA 0.070 4.461 4.340 0.085 0.000 0.197 22 R C 0.513 176.819 176.300 0.010 0.000 0.943 22 R CA 0.635 56.736 56.100 0.001 0.000 1.038 22 R CB 0.129 30.428 30.300 -0.001 0.000 0.957 22 R HN 0.338 nan 8.270 nan 0.000 0.484 23 N N 0.514 119.224 118.700 0.017 0.000 2.617 23 N HA 0.036 4.827 4.740 0.085 0.000 0.263 23 N C -0.319 175.205 175.510 0.024 0.000 1.074 23 N CA -0.328 52.746 53.050 0.041 0.000 0.841 23 N CB 1.695 40.229 38.487 0.079 0.000 1.221 23 N HN -0.107 nan 8.380 nan 0.000 0.529 24 V N 1.407 121.309 119.914 -0.020 0.000 2.940 24 V HA 0.455 4.626 4.120 0.085 0.000 0.366 24 V C 0.343 176.350 176.094 -0.145 0.000 1.353 24 V CA -0.532 61.729 62.300 -0.065 0.000 1.232 24 V CB -0.635 31.149 31.823 -0.066 0.000 1.278 24 V HN 0.325 nan 8.190 nan 0.000 0.546 25 L N 2.229 123.332 121.223 -0.200 0.000 2.455 25 L HA 0.430 4.822 4.340 0.085 0.000 0.272 25 L C 0.564 177.010 176.870 -0.706 0.000 1.174 25 L CA 0.047 54.589 54.840 -0.497 0.000 0.869 25 L CB 0.266 41.943 42.059 -0.638 0.000 1.130 25 L HN 0.247 nan 8.230 nan 0.000 0.474 26 R N 3.064 123.216 120.500 -0.580 0.000 2.254 26 R HA 0.119 4.510 4.340 0.085 0.000 0.318 26 R C -0.278 175.858 176.300 -0.273 0.000 1.031 26 R CA -0.013 55.917 56.100 -0.282 0.000 0.905 26 R CB 0.498 30.723 30.300 -0.125 0.000 1.050 26 R HN 0.701 nan 8.270 nan 0.000 0.456 27 W N 0.860 122.395 121.300 0.391 0.000 2.991 27 W HA 0.092 4.803 4.660 0.085 0.000 0.391 27 W C 0.285 176.886 176.519 0.136 0.000 1.054 27 W CA -0.371 57.071 57.345 0.161 0.000 1.856 27 W CB 0.840 30.338 29.460 0.064 0.000 1.132 27 W HN 0.497 nan 8.180 nan 0.000 0.601 28 D N 0.270 120.885 120.400 0.357 0.000 2.623 28 D HA 0.109 4.800 4.640 0.085 0.000 0.252 28 D C 0.020 176.404 176.300 0.138 0.000 1.294 28 D CA -0.055 54.090 54.000 0.243 0.000 0.824 28 D CB -0.716 40.251 40.800 0.278 0.000 1.070 28 D HN 0.075 nan 8.370 nan 0.000 0.487 29 L N 1.390 122.682 121.223 0.115 0.000 2.426 29 L HA 0.218 4.609 4.340 0.085 0.000 0.271 29 L C 1.233 178.129 176.870 0.044 0.000 1.169 29 L CA -0.395 54.479 54.840 0.058 0.000 0.836 29 L CB 0.920 43.002 42.059 0.037 0.000 1.112 29 L HN 0.090 nan 8.230 nan 0.000 0.465 30 S N 1.877 117.592 115.700 0.025 0.000 2.669 30 S HA 0.361 4.882 4.470 0.085 0.000 0.270 30 S C -1.943 172.659 174.600 0.004 0.000 1.225 30 S CA -1.244 56.965 58.200 0.015 0.000 0.991 30 S CB 1.392 64.599 63.200 0.011 0.000 0.987 30 S HN 0.382 nan 8.310 nan 0.000 0.552 31 P HA -0.108 nan 4.420 nan 0.000 0.216 31 P C 1.410 178.704 177.300 -0.010 0.000 1.153 31 P CA 1.320 64.413 63.100 -0.010 0.000 0.858 31 P CB 0.030 31.722 31.700 -0.013 0.000 0.789 32 E N -0.142 120.053 120.200 -0.008 0.000 2.110 32 E HA -0.207 4.194 4.350 0.085 0.000 0.193 32 E C 2.037 178.632 176.600 -0.010 0.000 0.988 32 E CA 1.520 57.914 56.400 -0.009 0.000 0.804 32 E CB -0.675 29.021 29.700 -0.007 0.000 0.745 32 E HN 0.284 nan 8.360 nan 0.000 0.458 33 Q N -0.379 119.416 119.800 -0.007 0.000 2.123 33 Q HA -0.036 4.356 4.340 0.085 0.000 0.199 33 Q C 2.327 178.319 176.000 -0.012 0.000 0.966 33 Q CA 1.280 57.078 55.803 -0.009 0.000 0.845 33 Q CB -0.060 28.675 28.738 -0.005 0.000 0.907 33 Q HN 0.367 nan 8.270 nan 0.000 0.439 34 I N 0.975 121.539 120.570 -0.010 0.000 2.226 34 I HA -0.307 3.914 4.170 0.085 0.000 0.245 34 I C 2.513 178.619 176.117 -0.019 0.000 1.100 34 I CA 1.219 62.511 61.300 -0.014 0.000 1.374 34 I CB -0.240 37.752 38.000 -0.014 0.000 1.057 34 I HN 0.177 nan 8.210 nan 0.000 0.413 35 K N 0.562 120.952 120.400 -0.018 0.000 2.026 35 K HA -0.179 4.193 4.320 0.085 0.000 0.208 35 K C 2.076 178.663 176.600 -0.022 0.000 1.048 35 K CA 1.999 58.275 56.287 -0.019 0.000 0.929 35 K CB -0.088 32.402 32.500 -0.017 0.000 0.713 35 K HN 0.181 nan 8.250 nan 0.000 0.439 36 T N 0.776 115.318 114.554 -0.020 0.000 2.708 36 T HA -0.087 4.314 4.350 0.085 0.000 0.266 36 T C 1.793 176.477 174.700 -0.025 0.000 1.037 36 T CA 1.341 63.428 62.100 -0.021 0.000 1.146 36 T CB -0.151 68.707 68.868 -0.018 0.000 0.865 36 T HN 0.312 nan 8.240 nan 0.000 0.435 37 R N 0.516 121.001 120.500 -0.025 0.000 2.120 37 R HA -0.054 4.337 4.340 0.085 0.000 0.234 37 R C 2.663 178.943 176.300 -0.034 0.000 1.123 37 R CA 1.475 57.558 56.100 -0.029 0.000 0.975 37 R CB -0.583 29.699 30.300 -0.030 0.000 0.866 37 R HN 0.333 nan 8.270 nan 0.000 0.446 38 T N 0.975 115.508 114.554 -0.035 0.000 2.737 38 T HA -0.128 4.273 4.350 0.085 0.000 0.265 38 T C 1.524 176.187 174.700 -0.062 0.000 1.038 38 T CA 1.352 63.427 62.100 -0.041 0.000 1.144 38 T CB -0.110 68.739 68.868 -0.032 0.000 0.866 38 T HN 0.384 nan 8.240 nan 0.000 0.434 39 E N 0.994 121.162 120.200 -0.053 0.000 2.058 39 E HA -0.186 4.215 4.350 0.085 0.000 0.194 39 E C 2.606 179.162 176.600 -0.072 0.000 0.997 39 E CA 0.962 57.325 56.400 -0.063 0.000 0.801 39 E CB -0.126 29.549 29.700 -0.042 0.000 0.746 39 E HN 0.359 nan 8.360 nan 0.000 0.450 40 Q N 0.343 120.113 119.800 -0.051 0.000 2.119 40 Q HA -0.131 4.260 4.340 0.085 0.000 0.201 40 Q C 2.354 178.327 176.000 -0.044 0.000 0.972 40 Q CA 0.795 56.574 55.803 -0.041 0.000 0.847 40 Q CB -0.330 28.393 28.738 -0.026 0.000 0.903 40 Q HN 0.240 nan 8.270 nan 0.000 0.433 41 L N 0.396 121.593 121.223 -0.044 0.000 2.056 41 L HA -0.093 4.299 4.340 0.085 0.000 0.207 41 L C 2.095 178.911 176.870 -0.089 0.000 1.078 41 L CA 1.326 56.162 54.840 -0.007 0.000 0.749 41 L CB -0.435 41.637 42.059 0.022 0.000 0.901 41 L HN 0.100 nan 8.230 nan 0.000 0.433 42 I N -0.630 119.784 120.570 -0.261 0.000 2.142 42 I HA -0.298 3.924 4.170 0.085 0.000 0.240 42 I C 2.601 178.436 176.117 -0.470 0.000 1.078 42 I CA 1.180 62.057 61.300 -0.705 0.000 1.343 42 I CB -0.664 36.947 38.000 -0.649 0.000 1.046 42 I HN 0.358 nan 8.210 nan 0.000 0.405 43 A N 0.363 123.051 122.820 -0.220 0.000 1.851 43 A HA -0.297 4.074 4.320 0.085 0.000 0.216 43 A C 2.235 179.800 177.584 -0.032 0.000 1.195 43 A CA 1.894 53.873 52.037 -0.096 0.000 0.622 43 A CB -0.852 18.113 19.000 -0.058 0.000 0.831 43 A HN 0.489 nan 8.150 nan 0.000 0.444 44 Q N -1.181 118.608 119.800 -0.018 0.000 2.170 44 Q HA -0.114 4.277 4.340 0.085 0.000 0.203 44 Q C 2.140 178.187 176.000 0.080 0.000 0.976 44 Q CA 1.784 57.604 55.803 0.028 0.000 0.858 44 Q CB -0.333 28.421 28.738 0.027 0.000 0.907 44 Q HN 0.694 nan 8.270 nan 0.000 0.433 45 T N 0.854 115.469 114.554 0.101 0.000 2.857 45 T HA -0.123 4.278 4.350 0.085 0.000 0.266 45 T C 1.675 176.609 174.700 0.390 0.000 1.048 45 T CA 1.133 63.381 62.100 0.246 0.000 1.139 45 T CB -0.059 68.994 68.868 0.308 0.000 0.874 45 T HN 0.228 nan 8.240 nan 0.000 0.455 46 K N 1.021 121.622 120.400 0.333 0.000 2.097 46 K HA -0.119 4.252 4.320 0.085 0.000 0.206 46 K C 2.355 179.103 176.600 0.247 0.000 1.049 46 K CA 1.190 57.697 56.287 0.366 0.000 0.933 46 K CB -0.062 32.606 32.500 0.280 0.000 0.717 46 K HN 0.353 nan 8.250 nan 0.000 0.442 47 Q N 0.013 119.906 119.800 0.155 0.000 2.181 47 Q HA -0.154 4.237 4.340 0.085 0.000 0.205 47 Q C 2.034 178.092 176.000 0.096 0.000 0.980 47 Q CA 1.604 57.468 55.803 0.102 0.000 0.862 47 Q CB 0.045 28.821 28.738 0.064 0.000 0.905 47 Q HN 0.198 nan 8.270 nan 0.000 0.429 48 V N -0.415 119.564 119.914 0.108 0.000 2.379 48 V HA -0.235 3.936 4.120 0.085 0.000 0.245 48 V C 1.573 177.650 176.094 -0.028 0.000 1.044 48 V CA 1.612 63.921 62.300 0.015 0.000 1.036 48 V CB -0.604 31.197 31.823 -0.037 0.000 0.664 48 V HN 0.332 nan 8.190 nan 0.000 0.453 49 Y N 0.502 120.823 120.300 0.035 0.000 2.314 49 Y HA -0.132 4.468 4.550 0.083 0.000 0.293 49 Y C 2.449 178.360 175.900 0.018 0.000 1.129 49 Y CA 1.305 59.414 58.100 0.015 0.000 1.201 49 Y CB -0.326 38.129 38.460 -0.009 0.000 0.999 49 Y HN 0.298 nan 8.280 nan 0.000 0.541 50 D N -0.892 119.609 120.400 0.170 0.000 2.144 50 D HA -0.134 4.557 4.640 0.085 0.000 0.199 50 D C 2.050 178.386 176.300 0.060 0.000 0.984 50 D CA 1.739 55.800 54.000 0.102 0.000 0.834 50 D CB -0.441 40.411 40.800 0.086 0.000 0.955 50 D HN 0.270 nan 8.370 nan 0.000 0.465 51 T N 0.537 115.116 114.554 0.042 0.000 2.777 51 T HA -0.069 4.333 4.350 0.085 0.000 0.266 51 T C 2.251 176.953 174.700 0.003 0.000 1.040 51 T CA 0.686 62.795 62.100 0.015 0.000 1.141 51 T CB -0.195 68.675 68.868 0.003 0.000 0.868 51 T HN -0.024 nan 8.240 nan 0.000 0.444 52 V N 1.352 121.259 119.914 -0.012 0.000 2.427 52 V HA -0.023 4.148 4.120 0.085 0.000 0.248 52 V C 2.803 178.902 176.094 0.009 0.000 1.051 52 V CA 1.756 64.043 62.300 -0.021 0.000 1.048 52 V CB -1.204 30.578 31.823 -0.068 0.000 0.666 52 V HN 0.582 nan 8.190 nan 0.000 0.456 53 G N 0.143 108.966 108.800 0.038 0.000 2.625 53 G HA2 -0.150 3.861 3.960 0.085 0.000 0.214 53 G HA3 -0.150 3.861 3.960 0.085 0.000 0.214 53 G C 1.418 176.333 174.900 0.025 0.000 1.132 53 G CA 1.338 46.466 45.100 0.046 0.000 0.782 53 G HN 0.608 nan 8.290 nan 0.000 0.538 54 T N -1.808 112.756 114.554 0.017 0.000 3.044 54 T HA 0.393 4.794 4.350 0.085 0.000 0.260 54 T C 0.861 175.559 174.700 -0.002 0.000 1.019 54 T CA -0.520 61.585 62.100 0.008 0.000 0.921 54 T CB 0.068 68.943 68.868 0.012 0.000 1.053 54 T HN 0.099 nan 8.240 nan 0.000 0.533 55 I N 2.718 123.285 120.570 -0.005 0.000 2.683 55 I HA 0.299 4.520 4.170 0.085 0.000 0.286 55 I C 1.022 177.127 176.117 -0.019 0.000 1.175 55 I CA -0.600 60.694 61.300 -0.009 0.000 1.429 55 I CB 0.453 38.448 38.000 -0.009 0.000 1.371 55 I HN 0.271 nan 8.210 nan 0.000 0.569 56 A N 7.214 130.024 122.820 -0.017 0.000 2.491 56 A HA 0.187 4.558 4.320 0.085 0.000 0.261 56 A C 1.284 178.848 177.584 -0.033 0.000 1.101 56 A CA -0.304 51.717 52.037 -0.026 0.000 0.772 56 A CB 0.088 19.079 19.000 -0.014 0.000 1.043 56 A HN 0.878 nan 8.150 nan 0.000 0.501 57 L N 2.086 123.266 121.223 -0.070 0.000 2.085 57 L HA -0.305 4.087 4.340 0.085 0.000 0.218 57 L C 2.319 179.183 176.870 -0.011 0.000 1.080 57 L CA 2.197 56.984 54.840 -0.090 0.000 0.776 57 L CB -0.503 41.406 42.059 -0.250 0.000 0.891 57 L HN 0.780 nan 8.230 nan 0.000 0.437 58 K N -0.111 120.288 120.400 -0.002 0.000 2.362 58 K HA -0.119 4.252 4.320 0.085 0.000 0.200 58 K C 1.261 177.874 176.600 0.021 0.000 1.046 58 K CA 0.940 57.240 56.287 0.022 0.000 0.952 58 K CB -0.010 32.500 32.500 0.017 0.000 0.753 58 K HN 0.455 nan 8.250 nan 0.000 0.466 59 E N 0.738 120.946 120.200 0.013 0.000 2.501 59 E HA 0.039 4.440 4.350 0.085 0.000 0.200 59 E C -0.541 176.071 176.600 0.019 0.000 1.016 59 E CA -0.221 56.188 56.400 0.015 0.000 0.921 59 E CB 1.039 30.744 29.700 0.009 0.000 1.034 59 E HN -0.061 nan 8.360 nan 0.000 0.468 60 V N 2.226 122.154 119.914 0.022 0.000 2.572 60 V HA 0.130 4.301 4.120 0.085 0.000 0.291 60 V C 0.084 176.203 176.094 0.042 0.000 1.039 60 V CA 0.546 62.861 62.300 0.025 0.000 1.055 60 V CB 0.872 32.711 31.823 0.026 0.000 0.969 60 V HN 0.320 nan 8.190 nan 0.000 0.482 61 T N 3.363 117.945 114.554 0.047 0.000 2.887 61 T HA 0.322 4.723 4.350 0.085 0.000 0.292 61 T C 0.450 175.215 174.700 0.109 0.000 1.087 61 T CA -0.089 62.060 62.100 0.082 0.000 1.009 61 T CB 1.073 69.988 68.868 0.079 0.000 1.203 61 T HN 0.546 nan 8.240 nan 0.000 0.518 62 Y N 1.266 121.580 120.300 0.023 0.000 2.165 62 Y HA -0.068 4.534 4.550 0.086 0.000 0.286 62 Y C 2.153 178.065 175.900 0.021 0.000 1.155 62 Y CA 2.141 60.260 58.100 0.030 0.000 1.164 62 Y CB -0.313 38.167 38.460 0.032 0.000 0.978 62 Y HN 0.784 nan 8.280 nan 0.000 0.513 63 E N 0.106 120.460 120.200 0.256 0.000 2.072 63 E HA -0.160 4.242 4.350 0.085 0.000 0.190 63 E C 1.681 178.308 176.600 0.045 0.000 0.982 63 E CA 1.433 57.926 56.400 0.154 0.000 0.803 63 E CB -0.433 29.340 29.700 0.122 0.000 0.755 63 E HN 0.722 nan 8.360 nan 0.000 0.453 64 N N -0.923 117.796 118.700 0.031 0.000 2.353 64 N HA -0.006 4.785 4.740 0.085 0.000 0.185 64 N C 1.173 176.669 175.510 -0.023 0.000 1.098 64 N CA 0.411 53.462 53.050 0.001 0.000 0.872 64 N CB -0.112 38.380 38.487 0.008 0.000 0.970 64 N HN 0.223 nan 8.380 nan 0.000 0.467 65 C N -1.124 118.156 119.300 -0.034 0.000 2.662 65 C HA 0.397 4.908 4.460 0.085 0.000 0.307 65 C C 2.195 177.134 174.990 -0.084 0.000 1.796 65 C CA -0.317 58.672 59.018 -0.049 0.000 2.153 65 C CB -0.986 26.739 27.740 -0.025 0.000 1.725 65 C HN 0.443 nan 8.230 nan 0.000 0.733 66 L N 1.212 122.343 121.223 -0.154 0.000 1.994 66 L HA -0.119 4.272 4.340 0.085 0.000 0.208 66 L C 2.625 179.325 176.870 -0.283 0.000 1.071 66 L CA 2.366 57.064 54.840 -0.237 0.000 0.745 66 L CB -0.609 41.139 42.059 -0.519 0.000 0.892 66 L HN 0.491 nan 8.230 nan 0.000 0.431 67 Q N -0.681 118.937 119.800 -0.303 0.000 2.124 67 Q HA -0.164 4.227 4.340 0.085 0.000 0.202 67 Q C 1.943 177.876 176.000 -0.112 0.000 0.977 67 Q CA 2.190 57.891 55.803 -0.171 0.000 0.850 67 Q CB -0.303 28.410 28.738 -0.042 0.000 0.901 67 Q HN 0.469 nan 8.270 nan 0.000 0.429 68 V N -0.017 119.838 119.914 -0.097 0.000 2.307 68 V HA -0.220 3.952 4.120 0.085 0.000 0.245 68 V C 2.035 178.055 176.094 -0.123 0.000 1.045 68 V CA 1.218 63.462 62.300 -0.093 0.000 1.024 68 V CB -0.549 31.221 31.823 -0.089 0.000 0.651 68 V HN 0.313 nan 8.190 nan 0.000 0.449 69 L N 0.440 121.588 121.223 -0.125 0.000 2.046 69 L HA -0.093 4.298 4.340 0.085 0.000 0.208 69 L C 2.615 179.469 176.870 -0.026 0.000 1.077 69 L CA 2.284 57.054 54.840 -0.116 0.000 0.747 69 L CB -1.650 40.409 42.059 -0.000 0.000 0.896 69 L HN 0.322 nan 8.230 nan 0.000 0.432 70 A N -0.753 122.030 122.820 -0.061 0.000 1.898 70 A HA -0.186 4.185 4.320 0.085 0.000 0.216 70 A C 2.016 179.578 177.584 -0.036 0.000 1.181 70 A CA 1.713 53.715 52.037 -0.059 0.000 0.620 70 A CB -0.537 18.373 19.000 -0.149 0.000 0.819 70 A HN 0.394 nan 8.150 nan 0.000 0.442 71 D N -0.291 120.073 120.400 -0.060 0.000 2.097 71 D HA -0.130 4.561 4.640 0.085 0.000 0.195 71 D C 1.725 178.025 176.300 -0.000 0.000 0.989 71 D CA 1.229 55.206 54.000 -0.039 0.000 0.827 71 D CB -0.462 40.313 40.800 -0.043 0.000 0.966 71 D HN 0.354 nan 8.370 nan 0.000 0.456 72 I N 1.497 122.060 120.570 -0.012 0.000 2.454 72 I HA -0.203 4.018 4.170 0.085 0.000 0.254 72 I C 1.881 178.071 176.117 0.121 0.000 1.156 72 I CA 1.247 62.566 61.300 0.032 0.000 1.433 72 I CB -0.211 37.755 38.000 -0.057 0.000 1.082 72 I HN -0.018 nan 8.210 nan 0.000 0.432 73 E N -0.669 119.597 120.200 0.109 0.000 2.106 73 E HA -0.164 4.237 4.350 0.085 0.000 0.192 73 E C 2.278 178.984 176.600 0.177 0.000 0.984 73 E CA 1.453 57.961 56.400 0.180 0.000 0.806 73 E CB -0.041 29.759 29.700 0.166 0.000 0.750 73 E HN 0.370 nan 8.360 nan 0.000 0.458 74 V N 1.290 121.267 119.914 0.106 0.000 2.270 74 V HA -0.273 3.898 4.120 0.085 0.000 0.245 74 V C 2.767 178.913 176.094 0.088 0.000 1.043 74 V CA 2.197 64.543 62.300 0.076 0.000 1.014 74 V CB -1.087 30.751 31.823 0.026 0.000 0.645 74 V HN 0.507 nan 8.190 nan 0.000 0.447 75 T N -1.334 113.275 114.554 0.093 0.000 2.684 75 T HA -0.347 4.054 4.350 0.085 0.000 0.267 75 T C 1.891 176.672 174.700 0.134 0.000 1.036 75 T CA 2.246 64.401 62.100 0.091 0.000 1.148 75 T CB -0.741 68.177 68.868 0.085 0.000 0.863 75 T HN 0.490 nan 8.240 nan 0.000 0.436 76 Y N 1.547 121.892 120.300 0.075 0.000 2.145 76 Y HA 0.007 4.609 4.550 0.087 0.000 0.286 76 Y C 2.257 178.207 175.900 0.083 0.000 1.145 76 Y CA 1.004 59.164 58.100 0.101 0.000 1.148 76 Y CB -0.679 37.882 38.460 0.168 0.000 0.981 76 Y HN 0.215 nan 8.280 nan 0.000 0.507 77 I N -0.597 120.016 120.570 0.072 0.000 2.264 77 I HA -0.248 3.973 4.170 0.085 0.000 0.248 77 I C 2.159 178.232 176.117 -0.073 0.000 1.111 77 I CA 1.262 62.542 61.300 -0.034 0.000 1.382 77 I CB -0.585 37.458 38.000 0.073 0.000 1.060 77 I HN 0.168 nan 8.210 nan 0.000 0.418 78 V N 0.254 120.149 119.914 -0.032 0.000 2.270 78 V HA -0.239 3.932 4.120 0.085 0.000 0.245 78 V C 2.494 178.548 176.094 -0.067 0.000 1.043 78 V CA 1.964 64.245 62.300 -0.032 0.000 1.014 78 V CB -0.761 31.054 31.823 -0.013 0.000 0.645 78 V HN 0.452 nan 8.190 nan 0.000 0.447 79 E N 0.795 120.946 120.200 -0.082 0.000 2.118 79 E HA -0.249 4.152 4.350 0.085 0.000 0.195 79 E C 2.325 178.846 176.600 -0.132 0.000 0.992 79 E CA 1.556 57.899 56.400 -0.094 0.000 0.804 79 E CB -0.397 29.263 29.700 -0.067 0.000 0.741 79 E HN 0.409 nan 8.360 nan 0.000 0.458 80 R N -0.268 120.091 120.500 -0.235 0.000 2.120 80 R HA -0.126 4.265 4.340 0.085 0.000 0.234 80 R C 2.171 178.417 176.300 -0.091 0.000 1.123 80 R CA 1.880 57.827 56.100 -0.255 0.000 0.975 80 R CB -0.513 29.489 30.300 -0.497 0.000 0.866 80 R HN 0.463 nan 8.270 nan 0.000 0.446 81 T N -1.726 112.804 114.554 -0.040 0.000 2.821 81 T HA -0.106 4.295 4.350 0.085 0.000 0.267 81 T C 1.955 176.753 174.700 0.164 0.000 1.046 81 T CA 1.066 63.207 62.100 0.068 0.000 1.139 81 T CB -0.143 68.767 68.868 0.070 0.000 0.871 81 T HN 0.175 nan 8.240 nan 0.000 0.454 82 M N 0.482 120.117 119.600 0.059 0.000 2.358 82 M HA 0.134 4.665 4.480 0.085 0.000 0.264 82 M C 1.906 178.264 176.300 0.096 0.000 1.064 82 M CA 1.346 56.677 55.300 0.052 0.000 1.093 82 M CB -0.366 32.169 32.600 -0.109 0.000 1.401 82 M HN 0.310 nan 8.290 nan 0.000 0.440 83 L N -0.804 120.444 121.223 0.042 0.000 2.408 83 L HA -0.035 4.356 4.340 0.085 0.000 0.215 83 L C 1.495 178.374 176.870 0.015 0.000 1.081 83 L CA 0.436 55.286 54.840 0.016 0.000 0.840 83 L CB -0.460 41.586 42.059 -0.021 0.000 1.002 83 L HN 0.298 nan 8.230 nan 0.000 0.468 84 D N -1.449 118.977 120.400 0.044 0.000 2.379 84 D HA -0.120 4.571 4.640 0.085 0.000 0.208 84 D C 1.734 178.064 176.300 0.051 0.000 1.065 84 D CA -0.062 53.956 54.000 0.030 0.000 0.848 84 D CB -0.040 40.794 40.800 0.056 0.000 0.949 84 D HN 0.151 nan 8.370 nan 0.000 0.509 85 F N 1.360 121.256 119.950 -0.090 0.000 2.387 85 F HA 0.304 4.882 4.527 0.085 0.000 0.294 85 F C -1.125 174.451 175.800 -0.373 0.000 1.093 85 F CA -0.582 57.285 58.000 -0.222 0.000 1.420 85 F CB -0.648 38.199 39.000 -0.257 0.000 1.086 85 F HN -0.122 nan 8.300 nan 0.000 0.531 86 P HA -0.228 nan 4.420 nan 0.000 0.219 86 P C 1.219 178.221 177.300 -0.496 0.000 1.146 86 P CA 1.894 64.719 63.100 -0.459 0.000 0.808 86 P CB -0.413 31.189 31.700 -0.162 0.000 0.779 87 Q N -1.122 118.399 119.800 -0.464 0.000 2.368 87 Q HA -0.217 4.174 4.340 0.085 0.000 0.210 87 Q C 1.074 176.739 176.000 -0.558 0.000 0.982 87 Q CA 1.660 57.184 55.803 -0.465 0.000 0.884 87 Q CB -1.014 27.434 28.738 -0.484 0.000 0.933 87 Q HN 0.430 nan 8.270 nan 0.000 0.460 88 H N -0.488 118.256 119.070 -0.542 0.000 2.582 88 H HA 0.109 4.716 4.556 0.085 0.000 0.269 88 H C 1.606 176.538 175.328 -0.660 0.000 0.962 88 H CA 0.734 56.441 56.048 -0.568 0.000 1.230 88 H CB 1.179 30.453 29.762 -0.813 0.000 1.445 88 H HN 0.296 nan 8.280 nan 0.000 0.528 89 V N -3.927 115.512 119.914 -0.791 0.000 3.408 89 V HA 0.183 4.354 4.120 0.085 0.000 0.263 89 V C 0.806 176.645 176.094 -0.426 0.000 1.503 89 V CA -0.221 61.648 62.300 -0.719 0.000 1.046 89 V CB 0.597 31.573 31.823 -1.411 0.000 0.851 89 V HN 0.122 nan 8.190 nan 0.000 0.435 90 S N 1.127 116.590 115.700 -0.394 0.000 2.563 90 S HA 0.159 4.680 4.470 0.085 0.000 0.284 90 S C 1.232 175.773 174.600 -0.098 0.000 1.331 90 S CA 0.746 58.838 58.200 -0.179 0.000 1.047 90 S CB 1.144 64.252 63.200 -0.152 0.000 0.859 90 S HN 0.549 nan 8.310 nan 0.000 0.514 91 S N 1.697 117.377 115.700 -0.033 0.000 2.528 91 S HA 0.075 4.596 4.470 0.085 0.000 0.219 91 S C 0.231 174.817 174.600 -0.023 0.000 0.985 91 S CA -0.023 58.166 58.200 -0.019 0.000 0.914 91 S CB -0.094 63.111 63.200 0.008 0.000 0.776 91 S HN 0.810 nan 8.310 nan 0.000 0.526 92 D N 1.452 121.835 120.400 -0.027 0.000 2.359 92 D HA 0.164 4.855 4.640 0.085 0.000 0.230 92 D C 0.985 177.261 176.300 -0.040 0.000 1.118 92 D CA -0.339 53.647 54.000 -0.024 0.000 0.844 92 D CB 0.717 41.510 40.800 -0.011 0.000 1.059 92 D HN 0.015 nan 8.370 nan 0.000 0.493 93 R N 3.123 123.601 120.500 -0.036 0.000 2.127 93 R HA -0.151 4.240 4.340 0.085 0.000 0.238 93 R C 1.022 177.296 176.300 -0.042 0.000 1.134 93 R CA 1.255 57.329 56.100 -0.043 0.000 0.975 93 R CB 0.308 30.587 30.300 -0.033 0.000 0.865 93 R HN 0.436 nan 8.270 nan 0.000 0.447 94 E N 0.041 120.222 120.200 -0.032 0.000 2.072 94 E HA -0.125 4.276 4.350 0.085 0.000 0.191 94 E C 2.122 178.701 176.600 -0.035 0.000 0.985 94 E CA 1.086 57.469 56.400 -0.029 0.000 0.801 94 E CB -0.370 29.319 29.700 -0.019 0.000 0.750 94 E HN 0.191 nan 8.360 nan 0.000 0.452 95 V N 1.830 121.722 119.914 -0.037 0.000 2.295 95 V HA -0.259 3.912 4.120 0.085 0.000 0.246 95 V C 2.485 178.536 176.094 -0.073 0.000 1.049 95 V CA 1.839 64.113 62.300 -0.043 0.000 1.024 95 V CB -0.474 31.328 31.823 -0.035 0.000 0.648 95 V HN 0.200 nan 8.190 nan 0.000 0.447 96 R N 0.015 120.459 120.500 -0.093 0.000 2.091 96 R HA -0.187 4.204 4.340 0.085 0.000 0.238 96 R C 2.416 178.651 176.300 -0.110 0.000 1.136 96 R CA 1.638 57.660 56.100 -0.130 0.000 0.959 96 R CB -0.675 29.546 30.300 -0.131 0.000 0.856 96 R HN 0.554 nan 8.270 nan 0.000 0.437 97 A N 1.141 123.915 122.820 -0.076 0.000 1.933 97 A HA -0.084 4.287 4.320 0.085 0.000 0.218 97 A C 2.377 179.928 177.584 -0.055 0.000 1.175 97 A CA 1.604 53.604 52.037 -0.060 0.000 0.628 97 A CB -0.531 18.443 19.000 -0.043 0.000 0.814 97 A HN 0.406 nan 8.150 nan 0.000 0.444 98 A N -0.774 122.016 122.820 -0.051 0.000 1.902 98 A HA -0.113 4.258 4.320 0.085 0.000 0.217 98 A C 2.489 180.043 177.584 -0.050 0.000 1.181 98 A CA 2.179 54.191 52.037 -0.041 0.000 0.623 98 A CB -0.991 17.989 19.000 -0.033 0.000 0.818 98 A HN 0.564 nan 8.150 nan 0.000 0.443 99 S N -0.962 114.695 115.700 -0.072 0.000 2.368 99 S HA -0.152 4.369 4.470 0.085 0.000 0.225 99 S C 2.076 176.622 174.600 -0.090 0.000 1.030 99 S CA 2.245 60.392 58.200 -0.088 0.000 0.999 99 S CB -0.639 62.475 63.200 -0.142 0.000 0.844 99 S HN 0.620 nan 8.310 nan 0.000 0.459 100 T N 1.331 115.824 114.554 -0.101 0.000 2.720 100 T HA -0.105 4.297 4.350 0.085 0.000 0.268 100 T C 1.785 176.460 174.700 -0.041 0.000 1.037 100 T CA 1.734 63.785 62.100 -0.082 0.000 1.144 100 T CB -0.492 68.331 68.868 -0.076 0.000 0.864 100 T HN 0.482 nan 8.240 nan 0.000 0.444 101 E N 1.534 121.713 120.200 -0.035 0.000 2.047 101 E HA -0.002 4.399 4.350 0.085 0.000 0.191 101 E C 2.257 178.851 176.600 -0.011 0.000 0.987 101 E CA 1.384 57.773 56.400 -0.019 0.000 0.799 101 E CB -0.667 29.021 29.700 -0.019 0.000 0.752 101 E HN 0.412 nan 8.360 nan 0.000 0.449 102 A N 0.800 123.609 122.820 -0.017 0.000 1.908 102 A HA -0.230 4.141 4.320 0.085 0.000 0.218 102 A C 2.167 179.756 177.584 0.009 0.000 1.181 102 A CA 2.036 54.068 52.037 -0.009 0.000 0.627 102 A CB -0.973 18.016 19.000 -0.018 0.000 0.818 102 A HN 0.376 nan 8.150 nan 0.000 0.445 103 D N -0.532 119.869 120.400 0.002 0.000 2.144 103 D HA -0.168 4.523 4.640 0.085 0.000 0.199 103 D C 1.916 178.243 176.300 0.044 0.000 0.984 103 D CA 1.536 55.550 54.000 0.025 0.000 0.834 103 D CB -0.167 40.639 40.800 0.010 0.000 0.955 103 D HN 0.560 nan 8.370 nan 0.000 0.465 104 K N 0.251 120.669 120.400 0.030 0.000 2.057 104 K HA -0.115 4.256 4.320 0.085 0.000 0.206 104 K C 2.052 178.683 176.600 0.051 0.000 1.050 104 K CA 0.987 57.295 56.287 0.036 0.000 0.935 104 K CB 0.142 32.654 32.500 0.021 0.000 0.715 104 K HN -0.005 nan 8.250 nan 0.000 0.439 105 K N 0.472 120.900 120.400 0.047 0.000 2.025 105 K HA -0.082 4.289 4.320 0.085 0.000 0.207 105 K C 2.172 178.843 176.600 0.118 0.000 1.049 105 K CA 1.254 57.578 56.287 0.061 0.000 0.933 105 K CB -0.122 32.396 32.500 0.030 0.000 0.714 105 K HN 0.127 nan 8.250 nan 0.000 0.438 106 L N 0.853 122.153 121.223 0.128 0.000 2.083 106 L HA -0.180 4.211 4.340 0.085 0.000 0.209 106 L C 2.383 179.408 176.870 0.259 0.000 1.083 106 L CA 1.000 55.982 54.840 0.236 0.000 0.752 106 L CB -0.306 41.863 42.059 0.183 0.000 0.899 106 L HN 0.095 nan 8.230 nan 0.000 0.433 107 S N -0.654 115.139 115.700 0.155 0.000 2.383 107 S HA -0.121 4.400 4.470 0.085 0.000 0.227 107 S C 2.074 176.729 174.600 0.092 0.000 1.026 107 S CA 0.997 59.266 58.200 0.116 0.000 0.981 107 S CB -0.155 63.093 63.200 0.079 0.000 0.818 107 S HN 0.346 nan 8.310 nan 0.000 0.472 108 R N -0.184 120.376 120.500 0.099 0.000 2.075 108 R HA -0.023 4.368 4.340 0.085 0.000 0.232 108 R C 2.098 178.453 176.300 0.091 0.000 1.126 108 R CA 1.288 57.433 56.100 0.074 0.000 0.963 108 R CB -0.452 29.891 30.300 0.071 0.000 0.858 108 R HN 0.436 nan 8.270 nan 0.000 0.435 109 F N 2.565 122.509 119.950 -0.010 0.000 2.134 109 F HA -0.212 4.369 4.527 0.089 0.000 0.299 109 F C 1.588 177.327 175.800 -0.102 0.000 1.097 109 F CA 1.583 59.554 58.000 -0.048 0.000 1.264 109 F CB -0.275 38.717 39.000 -0.013 0.000 1.001 109 F HN -0.066 nan 8.300 nan 0.000 0.479 110 D N 0.785 121.111 120.400 -0.122 0.000 2.133 110 D HA -0.220 4.471 4.640 0.085 0.000 0.195 110 D C 2.438 178.570 176.300 -0.279 0.000 0.997 110 D CA 2.030 55.876 54.000 -0.256 0.000 0.840 110 D CB -0.479 40.313 40.800 -0.013 0.000 0.947 110 D HN 0.389 nan 8.370 nan 0.000 0.452 111 I N 0.766 121.241 120.570 -0.158 0.000 2.226 111 I HA -0.223 3.999 4.170 0.085 0.000 0.245 111 I C 2.366 178.366 176.117 -0.195 0.000 1.100 111 I CA 0.980 62.198 61.300 -0.136 0.000 1.374 111 I CB -0.225 37.734 38.000 -0.069 0.000 1.057 111 I HN -0.018 nan 8.210 nan 0.000 0.413 112 E N 0.496 120.562 120.200 -0.223 0.000 2.033 112 E HA -0.264 4.138 4.350 0.085 0.000 0.199 112 E C 2.287 178.676 176.600 -0.351 0.000 1.011 112 E CA 1.619 57.877 56.400 -0.237 0.000 0.815 112 E CB -0.034 29.551 29.700 -0.191 0.000 0.755 112 E HN 0.299 nan 8.360 nan 0.000 0.451 113 M N 0.287 119.513 119.600 -0.624 0.000 2.213 113 M HA -0.122 4.409 4.480 0.085 0.000 0.263 113 M C 2.481 178.526 176.300 -0.426 0.000 1.062 113 M CA 1.442 56.305 55.300 -0.728 0.000 1.105 113 M CB -1.173 30.639 32.600 -1.314 0.000 1.385 113 M HN 0.093 nan 8.290 nan 0.000 0.417 114 S N -0.875 114.630 115.700 -0.325 0.000 2.515 114 S HA -0.004 4.517 4.470 0.085 0.000 0.231 114 S C 1.528 176.042 174.600 -0.143 0.000 0.987 114 S CA 0.578 58.665 58.200 -0.189 0.000 0.936 114 S CB -0.153 62.955 63.200 -0.153 0.000 0.766 114 S HN 0.346 nan 8.310 nan 0.000 0.528 115 M N 1.360 120.868 119.600 -0.153 0.000 2.419 115 M HA 0.327 4.858 4.480 0.085 0.000 0.252 115 M C -0.177 176.069 176.300 -0.091 0.000 1.143 115 M CA 0.083 55.312 55.300 -0.118 0.000 0.985 115 M CB -0.289 32.246 32.600 -0.107 0.000 1.489 115 M HN 0.117 nan 8.290 nan 0.000 0.484 116 R N 1.725 122.178 120.500 -0.078 0.000 2.309 116 R HA 0.027 4.418 4.340 0.085 0.000 0.331 116 R C 1.185 177.518 176.300 0.054 0.000 1.116 116 R CA 0.094 56.185 56.100 -0.016 0.000 0.970 116 R CB 0.254 30.554 30.300 0.001 0.000 1.024 116 R HN 0.251 nan 8.270 nan 0.000 0.472 117 E N 3.405 123.635 120.200 0.050 0.000 2.051 117 E HA -0.224 4.177 4.350 0.085 0.000 0.192 117 E C 1.041 177.747 176.600 0.176 0.000 0.991 117 E CA 2.130 58.599 56.400 0.116 0.000 0.799 117 E CB 0.057 29.799 29.700 0.071 0.000 0.748 117 E HN 0.592 nan 8.360 nan 0.000 0.449 118 D N 0.438 120.901 120.400 0.105 0.000 2.116 118 D HA -0.183 4.508 4.640 0.085 0.000 0.193 118 D C 2.074 178.431 176.300 0.095 0.000 0.998 118 D CA 1.774 55.823 54.000 0.083 0.000 0.836 118 D CB -0.771 40.062 40.800 0.055 0.000 0.951 118 D HN 0.279 nan 8.370 nan 0.000 0.449 119 V N 0.406 120.393 119.914 0.123 0.000 2.343 119 V HA -0.199 3.972 4.120 0.085 0.000 0.247 119 V C 2.396 178.576 176.094 0.145 0.000 1.051 119 V CA 1.601 63.978 62.300 0.128 0.000 1.036 119 V CB -0.918 31.014 31.823 0.181 0.000 0.654 119 V HN 0.084 nan 8.190 nan 0.000 0.451 120 F N 1.064 121.034 119.950 0.033 0.000 2.091 120 F HA -0.280 4.289 4.527 0.070 0.000 0.299 120 F C 2.520 178.352 175.800 0.053 0.000 1.103 120 F CA 2.183 60.203 58.000 0.033 0.000 1.228 120 F CB -0.482 38.538 39.000 0.034 0.000 0.984 120 F HN 0.152 nan 8.300 nan 0.000 0.477 121 Q N -0.373 119.429 119.800 0.003 0.000 2.112 121 Q HA -0.260 4.131 4.340 0.085 0.000 0.206 121 Q C 2.249 178.197 176.000 -0.087 0.000 0.987 121 Q CA 1.899 57.650 55.803 -0.086 0.000 0.858 121 Q CB -0.187 28.535 28.738 -0.026 0.000 0.905 121 Q HN 0.283 nan 8.270 nan 0.000 0.420 122 R N 0.171 120.638 120.500 -0.056 0.000 2.092 122 R HA -0.048 4.343 4.340 0.085 0.000 0.231 122 R C 1.967 178.250 176.300 -0.029 0.000 1.119 122 R CA 1.101 57.181 56.100 -0.033 0.000 0.970 122 R CB -0.253 30.038 30.300 -0.015 0.000 0.864 122 R HN 0.309 nan 8.270 nan 0.000 0.440 123 I N -0.613 119.913 120.570 -0.074 0.000 2.406 123 I HA -0.188 4.033 4.170 0.085 0.000 0.249 123 I C 1.817 177.853 176.117 -0.135 0.000 1.122 123 I CA 0.743 61.993 61.300 -0.084 0.000 1.431 123 I CB -0.174 37.779 38.000 -0.077 0.000 1.087 123 I HN -0.069 nan 8.210 nan 0.000 0.424 124 V N 0.505 120.260 119.914 -0.265 0.000 2.295 124 V HA -0.310 3.861 4.120 0.085 0.000 0.246 124 V C 2.351 178.357 176.094 -0.146 0.000 1.049 124 V CA 2.056 64.189 62.300 -0.280 0.000 1.024 124 V CB -0.904 30.645 31.823 -0.456 0.000 0.648 124 V HN 0.401 nan 8.190 nan 0.000 0.447 125 H N -0.985 117.994 119.070 -0.152 0.000 2.491 125 H HA -0.051 4.554 4.556 0.081 0.000 0.290 125 H C 1.774 177.070 175.328 -0.053 0.000 1.050 125 H CA 1.293 57.290 56.048 -0.084 0.000 1.309 125 H CB -0.098 29.626 29.762 -0.064 0.000 1.392 125 H HN 0.318 nan 8.280 nan 0.000 0.554 126 L N 0.414 121.661 121.223 0.039 0.000 2.072 126 L HA -0.117 4.274 4.340 0.085 0.000 0.205 126 L C 2.227 179.105 176.870 0.013 0.000 1.079 126 L CA 1.691 56.549 54.840 0.030 0.000 0.752 126 L CB -0.562 41.511 42.059 0.023 0.000 0.906 126 L HN 0.243 nan 8.230 nan 0.000 0.436 127 Q N -0.596 119.192 119.800 -0.020 0.000 2.167 127 Q HA -0.209 4.182 4.340 0.085 0.000 0.202 127 Q C 1.914 177.891 176.000 -0.037 0.000 0.970 127 Q CA 1.704 57.494 55.803 -0.022 0.000 0.855 127 Q CB -0.001 28.710 28.738 -0.045 0.000 0.911 127 Q HN 0.695 nan 8.270 nan 0.000 0.438 128 E N -0.257 119.897 120.200 -0.076 0.000 2.031 128 E HA -0.166 4.235 4.350 0.085 0.000 0.193 128 E C 1.864 178.437 176.600 -0.046 0.000 0.994 128 E CA 1.785 58.131 56.400 -0.091 0.000 0.800 128 E CB -0.149 29.443 29.700 -0.180 0.000 0.752 128 E HN 0.461 nan 8.360 nan 0.000 0.447 129 T N -1.738 112.802 114.554 -0.023 0.000 3.129 129 T HA 0.069 4.471 4.350 0.085 0.000 0.251 129 T C 0.761 175.473 174.700 0.019 0.000 1.117 129 T CA -0.343 61.758 62.100 0.002 0.000 1.034 129 T CB -0.371 68.509 68.868 0.020 0.000 0.968 129 T HN 0.061 nan 8.240 nan 0.000 0.526 130 C N 2.370 121.685 119.300 0.025 0.000 2.405 130 C HA 0.532 5.043 4.460 0.085 0.000 0.365 130 C C 0.324 175.334 174.990 0.034 0.000 1.233 130 C CA -0.764 58.282 59.018 0.046 0.000 2.230 130 C CB 0.265 28.051 27.740 0.078 0.000 2.443 130 C HN 0.601 nan 8.230 nan 0.000 0.556 131 D N 3.888 124.309 120.400 0.034 0.000 2.564 131 D HA 0.244 4.935 4.640 0.085 0.000 0.226 131 D C 1.128 177.446 176.300 0.030 0.000 1.149 131 D CA -0.338 53.675 54.000 0.023 0.000 0.994 131 D CB 0.070 40.878 40.800 0.012 0.000 1.029 131 D HN 0.458 nan 8.370 nan 0.000 0.517 132 L N 1.739 122.984 121.223 0.037 0.000 2.256 132 L HA -0.224 4.167 4.340 0.085 0.000 0.218 132 L C 2.132 179.024 176.870 0.037 0.000 1.089 132 L CA 1.472 56.339 54.840 0.046 0.000 0.777 132 L CB -0.480 41.601 42.059 0.036 0.000 0.890 132 L HN 0.427 nan 8.230 nan 0.000 0.439 133 E N -0.732 119.481 120.200 0.022 0.000 2.347 133 E HA -0.114 4.287 4.350 0.085 0.000 0.196 133 E C 2.047 178.652 176.600 0.009 0.000 1.008 133 E CA 0.436 56.845 56.400 0.015 0.000 0.852 133 E CB 0.002 29.706 29.700 0.008 0.000 0.783 133 E HN 0.411 nan 8.360 nan 0.000 0.505 134 K N 0.560 120.962 120.400 0.004 0.000 2.243 134 K HA 0.080 4.452 4.320 0.085 0.000 0.201 134 K C 1.569 178.151 176.600 -0.031 0.000 1.051 134 K CA 0.136 56.413 56.287 -0.018 0.000 0.970 134 K CB 0.095 32.578 32.500 -0.029 0.000 0.755 134 K HN 0.277 nan 8.250 nan 0.000 0.465 135 I N -1.339 119.231 120.570 0.000 0.000 2.918 135 I HA 0.247 4.468 4.170 0.085 0.000 0.316 135 I C -0.163 175.992 176.117 0.064 0.000 1.001 135 I CA -0.997 60.313 61.300 0.016 0.000 1.142 135 I CB 0.928 38.999 38.000 0.119 0.000 1.356 135 I HN -0.262 nan 8.210 nan 0.000 0.524 136 K N 2.577 123.037 120.400 0.101 0.000 2.258 136 K HA 0.207 4.578 4.320 0.085 0.000 0.264 136 K C -1.828 174.851 176.600 0.133 0.000 1.007 136 K CA -1.022 55.331 56.287 0.110 0.000 0.941 136 K CB 0.415 32.995 32.500 0.133 0.000 0.966 136 K HN 0.399 nan 8.250 nan 0.000 0.480 137 P HA -0.229 nan 4.420 nan 0.000 0.216 137 P C 0.940 178.300 177.300 0.100 0.000 1.153 137 P CA 1.312 64.457 63.100 0.075 0.000 0.858 137 P CB 0.214 31.940 31.700 0.043 0.000 0.789 138 E N -0.645 119.652 120.200 0.160 0.000 2.110 138 E HA -0.190 4.211 4.350 0.085 0.000 0.193 138 E C 1.895 178.670 176.600 0.292 0.000 0.988 138 E CA 1.108 57.650 56.400 0.236 0.000 0.804 138 E CB -0.419 29.511 29.700 0.383 0.000 0.745 138 E HN 0.078 nan 8.360 nan 0.000 0.458 139 A N 1.019 124.056 122.820 0.361 0.000 1.969 139 A HA -0.145 4.226 4.320 0.085 0.000 0.218 139 A C 2.062 179.745 177.584 0.164 0.000 1.169 139 A CA 1.112 53.312 52.037 0.273 0.000 0.635 139 A CB -0.309 18.989 19.000 0.497 0.000 0.810 139 A HN 0.153 nan 8.150 nan 0.000 0.445 140 R N -0.871 119.718 120.500 0.150 0.000 2.081 140 R HA -0.089 4.302 4.340 0.085 0.000 0.235 140 R C 2.488 178.826 176.300 0.065 0.000 1.131 140 R CA 1.481 57.638 56.100 0.096 0.000 0.960 140 R CB -0.323 30.017 30.300 0.067 0.000 0.856 140 R HN 0.536 nan 8.270 nan 0.000 0.436 141 R N 0.030 120.565 120.500 0.058 0.000 2.096 141 R HA -0.196 4.195 4.340 0.085 0.000 0.235 141 R C 2.060 178.456 176.300 0.160 0.000 1.127 141 R CA 1.436 57.552 56.100 0.027 0.000 0.968 141 R CB -0.283 29.938 30.300 -0.133 0.000 0.861 141 R HN 0.251 nan 8.270 nan 0.000 0.440 142 Y N 1.094 121.410 120.300 0.026 0.000 2.114 142 Y HA -0.234 4.370 4.550 0.090 0.000 0.284 142 Y C 1.935 177.750 175.900 -0.141 0.000 1.143 142 Y CA 1.853 59.842 58.100 -0.185 0.000 1.135 142 Y CB -0.359 37.580 38.460 -0.867 0.000 0.980 142 Y HN 0.017 nan 8.280 nan 0.000 0.499 143 L N -0.118 121.084 121.223 -0.036 0.000 1.994 143 L HA -0.231 4.161 4.340 0.085 0.000 0.208 143 L C 2.520 179.331 176.870 -0.098 0.000 1.071 143 L CA 1.868 56.662 54.840 -0.076 0.000 0.745 143 L CB -0.645 41.424 42.059 0.017 0.000 0.892 143 L HN 0.247 nan 8.230 nan 0.000 0.431 144 E N 0.469 120.643 120.200 -0.042 0.000 2.048 144 E HA -0.261 4.141 4.350 0.085 0.000 0.202 144 E C 2.157 178.732 176.600 -0.042 0.000 1.021 144 E CA 1.673 58.054 56.400 -0.031 0.000 0.825 144 E CB 0.055 29.747 29.700 -0.015 0.000 0.756 144 E HN 0.098 nan 8.360 nan 0.000 0.454 145 K N 0.148 120.527 120.400 -0.035 0.000 2.057 145 K HA -0.038 4.333 4.320 0.085 0.000 0.207 145 K C 2.453 178.988 176.600 -0.109 0.000 1.049 145 K CA 1.278 57.547 56.287 -0.030 0.000 0.931 145 K CB -0.575 31.984 32.500 0.098 0.000 0.714 145 K HN 0.083 nan 8.250 nan 0.000 0.440 146 S N 1.429 116.988 115.700 -0.235 0.000 2.356 146 S HA -0.064 4.457 4.470 0.085 0.000 0.223 146 S C 2.116 176.696 174.600 -0.034 0.000 1.032 146 S CA 1.027 59.087 58.200 -0.233 0.000 1.005 146 S CB -0.222 62.733 63.200 -0.410 0.000 0.867 146 S HN 0.216 nan 8.310 nan 0.000 0.449 147 I N 1.123 121.693 120.570 0.000 0.000 2.315 147 I HA -0.171 4.050 4.170 0.085 0.000 0.248 147 I C 2.481 178.694 176.117 0.160 0.000 1.117 147 I CA 1.052 62.444 61.300 0.152 0.000 1.404 147 I CB -0.233 37.790 38.000 0.038 0.000 1.071 147 I HN 0.173 nan 8.210 nan 0.000 0.419 148 K N 0.991 121.418 120.400 0.045 0.000 2.063 148 K HA -0.166 4.205 4.320 0.085 0.000 0.208 148 K C 2.073 178.683 176.600 0.016 0.000 1.048 148 K CA 1.709 58.009 56.287 0.022 0.000 0.928 148 K CB -0.129 32.367 32.500 -0.006 0.000 0.713 148 K HN 0.054 nan 8.250 nan 0.000 0.442 149 M N -0.395 119.202 119.600 -0.004 0.000 2.117 149 M HA -0.002 4.530 4.480 0.085 0.000 0.262 149 M C 2.230 178.514 176.300 -0.026 0.000 1.065 149 M CA 1.840 57.126 55.300 -0.023 0.000 1.114 149 M CB -1.508 31.063 32.600 -0.048 0.000 1.361 149 M HN 0.371 nan 8.290 nan 0.000 0.408 150 G N 0.424 109.209 108.800 -0.026 0.000 2.418 150 G HA2 -0.220 3.791 3.960 0.085 0.000 0.217 150 G HA3 -0.220 3.791 3.960 0.085 0.000 0.217 150 G C 1.784 176.511 174.900 -0.288 0.000 1.158 150 G CA 0.641 45.603 45.100 -0.231 0.000 0.771 150 G HN 0.432 nan 8.290 nan 0.000 0.545 151 K N 0.003 120.328 120.400 -0.125 0.000 2.211 151 K HA 0.006 4.377 4.320 0.085 0.000 0.203 151 K C 2.582 179.259 176.600 0.128 0.000 1.050 151 K CA 0.562 56.811 56.287 -0.063 0.000 0.945 151 K CB -0.088 32.284 32.500 -0.213 0.000 0.732 151 K HN 0.172 nan 8.250 nan 0.000 0.451 152 R N 0.495 121.069 120.500 0.123 0.000 2.280 152 R HA 0.025 4.416 4.340 0.085 0.000 0.207 152 R C 1.155 177.577 176.300 0.203 0.000 1.043 152 R CA 0.547 56.806 56.100 0.264 0.000 1.006 152 R CB 0.062 30.463 30.300 0.168 0.000 0.885 152 R HN 0.150 nan 8.270 nan 0.000 0.467 153 N N -0.519 118.216 118.700 0.060 0.000 2.236 153 N HA 0.046 4.837 4.740 0.085 0.000 0.196 153 N C 0.576 176.060 175.510 -0.042 0.000 1.114 153 N CA 0.784 53.829 53.050 -0.009 0.000 0.859 153 N CB 1.478 39.925 38.487 -0.068 0.000 0.982 153 N HN 0.302 nan 8.380 nan 0.000 0.493 154 G N 1.202 110.012 108.800 0.018 0.000 2.147 154 G HA2 -0.246 3.766 3.960 0.085 0.000 0.244 154 G HA3 -0.246 3.766 3.960 0.085 0.000 0.244 154 G C 0.791 175.617 174.900 -0.123 0.000 1.005 154 G CA 0.103 45.190 45.100 -0.022 0.000 0.713 154 G HN 0.354 nan 8.290 nan 0.000 0.515 155 L N 0.738 121.830 121.223 -0.217 0.000 2.549 155 L HA 0.029 4.420 4.340 0.085 0.000 0.229 155 L C 2.416 179.174 176.870 -0.187 0.000 1.158 155 L CA 1.273 55.880 54.840 -0.389 0.000 0.842 155 L CB -0.464 41.047 42.059 -0.913 0.000 0.952 155 L HN 0.674 nan 8.230 nan 0.000 0.452 156 H N -1.392 117.583 119.070 -0.159 0.000 2.551 156 H HA 0.300 4.873 4.556 0.028 0.000 0.271 156 H C 0.643 176.007 175.328 0.061 0.000 0.984 156 H CA -0.421 55.686 56.048 0.098 0.000 1.164 156 H CB -0.180 29.687 29.762 0.175 0.000 1.437 156 H HN 0.226 nan 8.280 nan 0.000 0.550 157 L N 1.721 122.705 121.223 -0.399 0.000 2.400 157 L HA 0.272 4.663 4.340 0.085 0.000 0.264 157 L C 0.844 177.645 176.870 -0.115 0.000 1.061 157 L CA -1.005 53.652 54.840 -0.305 0.000 0.799 157 L CB 1.297 43.147 42.059 -0.348 0.000 1.240 157 L HN 0.150 nan 8.230 nan 0.000 0.461 158 S N -0.768 114.892 115.700 -0.066 0.000 2.576 158 S HA 0.010 4.531 4.470 0.085 0.000 0.272 158 S C 0.792 175.387 174.600 -0.008 0.000 1.352 158 S CA -0.391 57.803 58.200 -0.010 0.000 1.021 158 S CB 0.778 63.991 63.200 0.023 0.000 0.887 158 S HN 0.683 nan 8.310 nan 0.000 0.542 159 E N 0.271 120.480 120.200 0.015 0.000 2.118 159 E HA -0.252 4.150 4.350 0.085 0.000 0.195 159 E C 1.797 178.407 176.600 0.017 0.000 0.992 159 E CA 1.718 58.124 56.400 0.010 0.000 0.804 159 E CB -0.332 29.382 29.700 0.023 0.000 0.741 159 E HN 0.924 nan 8.360 nan 0.000 0.458 160 H N 0.858 119.909 119.070 -0.031 0.000 2.319 160 H HA -0.102 4.501 4.556 0.078 0.000 0.299 160 H C 1.936 177.241 175.328 -0.038 0.000 1.092 160 H CA 1.897 57.927 56.048 -0.030 0.000 1.302 160 H CB -0.172 29.574 29.762 -0.025 0.000 1.373 160 H HN 0.079 nan 8.280 nan 0.000 0.497 161 I N -0.157 120.347 120.570 -0.110 0.000 2.252 161 I HA -0.213 4.009 4.170 0.085 0.000 0.245 161 I C 2.633 178.653 176.117 -0.162 0.000 1.102 161 I CA 0.968 62.169 61.300 -0.164 0.000 1.385 161 I CB -0.327 37.626 38.000 -0.079 0.000 1.064 161 I HN 0.239 nan 8.210 nan 0.000 0.414 162 R N 0.899 121.325 120.500 -0.123 0.000 2.091 162 R HA -0.149 4.242 4.340 0.085 0.000 0.238 162 R C 2.031 178.262 176.300 -0.114 0.000 1.136 162 R CA 1.388 57.421 56.100 -0.111 0.000 0.959 162 R CB -0.501 29.747 30.300 -0.087 0.000 0.856 162 R HN 0.473 nan 8.270 nan 0.000 0.437 163 N N 0.775 119.400 118.700 -0.125 0.000 2.135 163 N HA -0.126 4.666 4.740 0.085 0.000 0.186 163 N C 1.594 177.017 175.510 -0.145 0.000 1.027 163 N CA 1.033 54.013 53.050 -0.117 0.000 0.849 163 N CB -0.198 38.230 38.487 -0.098 0.000 1.002 163 N HN 0.343 nan 8.380 nan 0.000 0.425 164 E N 0.634 120.700 120.200 -0.223 0.000 2.160 164 E HA -0.080 4.322 4.350 0.085 0.000 0.195 164 E C 1.757 178.271 176.600 -0.143 0.000 0.991 164 E CA 0.536 56.812 56.400 -0.206 0.000 0.810 164 E CB -0.062 29.463 29.700 -0.292 0.000 0.742 164 E HN 0.389 nan 8.360 nan 0.000 0.466 165 I N 0.774 121.262 120.570 -0.137 0.000 2.928 165 I HA -0.187 4.034 4.170 0.085 0.000 0.266 165 I C 2.418 178.475 176.117 -0.101 0.000 1.234 165 I CA 0.651 61.881 61.300 -0.116 0.000 1.483 165 I CB -0.056 37.876 38.000 -0.113 0.000 1.097 165 I HN 0.028 nan 8.210 nan 0.000 0.455 166 K N 1.365 121.709 120.400 -0.094 0.000 1.995 166 K HA -0.120 4.251 4.320 0.085 0.000 0.207 166 K C 2.164 178.723 176.600 -0.068 0.000 1.041 166 K CA 1.613 57.855 56.287 -0.076 0.000 0.942 166 K CB -0.075 32.384 32.500 -0.069 0.000 0.731 166 K HN 0.225 nan 8.250 nan 0.000 0.439 167 S N 0.341 116.000 115.700 -0.068 0.000 2.559 167 S HA -0.140 4.381 4.470 0.085 0.000 0.250 167 S C 1.660 176.225 174.600 -0.059 0.000 0.977 167 S CA 1.098 59.264 58.200 -0.056 0.000 0.958 167 S CB -0.308 62.859 63.200 -0.054 0.000 0.751 167 S HN 0.330 nan 8.310 nan 0.000 0.534 168 M N 0.250 119.808 119.600 -0.070 0.000 2.858 168 M HA 0.242 4.773 4.480 0.085 0.000 0.255 168 M C 2.139 178.394 176.300 -0.076 0.000 1.336 168 M CA 0.520 55.775 55.300 -0.075 0.000 1.220 168 M CB -0.018 32.529 32.600 -0.088 0.000 1.252 168 M HN 0.106 nan 8.290 nan 0.000 0.538 169 K N 1.067 121.420 120.400 -0.078 0.000 2.360 169 K HA -0.142 4.229 4.320 0.085 0.000 0.201 169 K C 1.963 178.532 176.600 -0.052 0.000 1.046 169 K CA 0.906 57.151 56.287 -0.070 0.000 0.945 169 K CB -0.020 32.440 32.500 -0.067 0.000 0.750 169 K HN 0.269 nan 8.250 nan 0.000 0.464 170 K N 1.458 121.828 120.400 -0.049 0.000 1.980 170 K HA -0.134 4.237 4.320 0.085 0.000 0.208 170 K C 1.906 178.487 176.600 -0.033 0.000 1.043 170 K CA 1.012 57.277 56.287 -0.036 0.000 0.938 170 K CB -0.138 32.341 32.500 -0.035 0.000 0.724 170 K HN -0.035 nan 8.250 nan 0.000 0.438 171 R N 0.414 120.892 120.500 -0.037 0.000 2.094 171 R HA -0.102 4.289 4.340 0.085 0.000 0.239 171 R C 2.541 178.819 176.300 -0.037 0.000 1.137 171 R CA 2.403 58.483 56.100 -0.033 0.000 0.943 171 R CB -0.539 29.739 30.300 -0.037 0.000 0.850 171 R HN 0.374 nan 8.270 nan 0.000 0.433 172 M N 0.043 119.611 119.600 -0.053 0.000 2.337 172 M HA -0.182 4.349 4.480 0.085 0.000 0.261 172 M C 2.359 178.630 176.300 -0.049 0.000 1.067 172 M CA 1.257 56.517 55.300 -0.066 0.000 1.074 172 M CB -0.280 32.265 32.600 -0.093 0.000 1.395 172 M HN 0.122 nan 8.290 nan 0.000 0.431 173 S N 0.255 115.935 115.700 -0.034 0.000 2.362 173 S HA -0.090 4.431 4.470 0.085 0.000 0.221 173 S C 1.659 176.255 174.600 -0.007 0.000 1.032 173 S CA 0.991 59.180 58.200 -0.019 0.000 0.973 173 S CB 0.023 63.215 63.200 -0.014 0.000 0.849 173 S HN 0.498 nan 8.310 nan 0.000 0.465 174 E N 1.094 121.290 120.200 -0.006 0.000 2.031 174 E HA -0.107 4.294 4.350 0.085 0.000 0.193 174 E C 2.138 178.747 176.600 0.016 0.000 0.994 174 E CA 1.225 57.628 56.400 0.005 0.000 0.800 174 E CB -0.413 29.287 29.700 0.000 0.000 0.752 174 E HN 0.411 nan 8.360 nan 0.000 0.447 175 L N 0.725 121.952 121.223 0.008 0.000 2.137 175 L HA -0.275 4.116 4.340 0.085 0.000 0.213 175 L C 2.520 179.423 176.870 0.054 0.000 1.085 175 L CA 0.844 55.699 54.840 0.025 0.000 0.760 175 L CB -0.430 41.628 42.059 -0.003 0.000 0.893 175 L HN 0.346 nan 8.230 nan 0.000 0.434 176 C N -0.743 118.567 119.300 0.017 0.000 2.467 176 C HA -0.041 4.470 4.460 0.085 0.000 0.279 176 C C 2.595 177.636 174.990 0.084 0.000 1.347 176 C CA -0.098 58.931 59.018 0.019 0.000 1.748 176 C CB -0.425 27.293 27.740 -0.038 0.000 1.977 176 C HN 0.424 nan 8.230 nan 0.000 0.501 177 I N 0.958 121.564 120.570 0.061 0.000 2.617 177 I HA -0.075 4.146 4.170 0.085 0.000 0.256 177 I C 2.187 178.347 176.117 0.072 0.000 1.167 177 I CA 1.551 62.888 61.300 0.062 0.000 1.469 177 I CB -1.327 36.696 38.000 0.037 0.000 1.098 177 I HN 0.303 nan 8.210 nan 0.000 0.436 178 D N 0.545 120.991 120.400 0.078 0.000 2.123 178 D HA -0.189 4.502 4.640 0.085 0.000 0.200 178 D C 2.138 178.490 176.300 0.087 0.000 0.976 178 D CA 0.826 54.864 54.000 0.064 0.000 0.831 178 D CB -0.070 40.763 40.800 0.054 0.000 0.974 178 D HN 0.211 nan 8.370 nan 0.000 0.469 179 F N 1.392 121.332 119.950 -0.017 0.000 2.069 179 F HA -0.171 4.409 4.527 0.087 0.000 0.298 179 F C 2.028 177.820 175.800 -0.013 0.000 1.113 179 F CA 1.791 59.781 58.000 -0.017 0.000 1.214 179 F CB -0.339 38.648 39.000 -0.022 0.000 0.978 179 F HN -0.039 nan 8.300 nan 0.000 0.474 180 N N -0.091 118.760 118.700 0.252 0.000 2.142 180 N HA -0.222 4.569 4.740 0.085 0.000 0.186 180 N C 1.884 177.408 175.510 0.023 0.000 1.023 180 N CA 1.171 54.304 53.050 0.140 0.000 0.852 180 N CB -0.256 38.319 38.487 0.146 0.000 0.998 180 N HN 0.241 nan 8.380 nan 0.000 0.424 181 K N 1.231 121.644 120.400 0.021 0.000 2.044 181 K HA -0.198 4.173 4.320 0.085 0.000 0.210 181 K C 1.462 178.035 176.600 -0.044 0.000 1.049 181 K CA 1.486 57.770 56.287 -0.006 0.000 0.927 181 K CB 0.029 32.530 32.500 0.001 0.000 0.713 181 K HN 0.155 nan 8.250 nan 0.000 0.443 182 N N 1.112 119.764 118.700 -0.080 0.000 2.018 182 N HA -0.204 4.587 4.740 0.085 0.000 0.196 182 N C 2.002 177.432 175.510 -0.134 0.000 1.043 182 N CA 1.590 54.570 53.050 -0.117 0.000 0.856 182 N CB -0.580 37.804 38.487 -0.171 0.000 1.042 182 N HN 0.210 nan 8.380 nan 0.000 0.423 183 L N 1.221 122.334 121.223 -0.183 0.000 1.989 183 L HA -0.191 4.200 4.340 0.085 0.000 0.211 183 L C 2.016 178.835 176.870 -0.086 0.000 1.071 183 L CA 1.147 55.891 54.840 -0.159 0.000 0.749 183 L CB -0.609 41.349 42.059 -0.169 0.000 0.890 183 L HN 0.195 nan 8.230 nan 0.000 0.431 184 N N 0.160 118.827 118.700 -0.055 0.000 2.069 184 N HA -0.209 4.582 4.740 0.085 0.000 0.191 184 N C 1.724 177.214 175.510 -0.033 0.000 1.031 184 N CA 1.592 54.623 53.050 -0.031 0.000 0.852 184 N CB -0.274 38.206 38.487 -0.012 0.000 1.018 184 N HN 0.501 nan 8.380 nan 0.000 0.423 185 E N 0.786 120.963 120.200 -0.037 0.000 2.106 185 E HA -0.085 4.316 4.350 0.085 0.000 0.192 185 E C 0.476 177.056 176.600 -0.034 0.000 0.984 185 E CA 0.008 56.389 56.400 -0.032 0.000 0.806 185 E CB -0.127 29.553 29.700 -0.032 0.000 0.750 185 E HN 0.368 nan 8.360 nan 0.000 0.458 186 D N 2.178 122.549 120.400 -0.048 0.000 2.703 186 D HA -0.131 4.560 4.640 0.085 0.000 0.225 186 D C -0.320 175.966 176.300 -0.024 0.000 1.119 186 D CA 0.713 54.685 54.000 -0.047 0.000 0.845 186 D CB 0.505 41.261 40.800 -0.072 0.000 1.182 186 D HN 0.083 nan 8.370 nan 0.000 0.493 187 D N 1.489 121.880 120.400 -0.015 0.000 2.740 187 D HA 0.056 4.747 4.640 0.085 0.000 0.301 187 D C -0.226 176.083 176.300 0.016 0.000 1.408 187 D CA -0.484 53.519 54.000 0.004 0.000 0.808 187 D CB -0.333 40.469 40.800 0.003 0.000 1.128 187 D HN 0.058 nan 8.370 nan 0.000 0.465 188 T N 0.720 115.280 114.554 0.011 0.000 2.946 188 T HA 0.304 4.705 4.350 0.085 0.000 0.311 188 T C -0.044 174.690 174.700 0.057 0.000 1.063 188 T CA 0.379 62.491 62.100 0.020 0.000 1.139 188 T CB 0.915 69.788 68.868 0.008 0.000 0.994 188 T HN 0.224 nan 8.240 nan 0.000 0.547 189 S N 1.935 117.668 115.700 0.055 0.000 2.588 189 S HA 0.789 5.310 4.470 0.085 0.000 0.275 189 S C -1.419 173.215 174.600 0.057 0.000 1.130 189 S CA -0.889 57.362 58.200 0.085 0.000 0.855 189 S CB 0.767 64.012 63.200 0.075 0.000 1.116 189 S HN 0.565 nan 8.310 nan 0.000 0.472 190 L N 2.030 123.305 121.223 0.086 0.000 2.327 190 L HA 0.808 5.199 4.340 0.085 0.000 0.258 190 L C -0.984 175.833 176.870 -0.088 0.000 1.024 190 L CA -1.242 53.575 54.840 -0.039 0.000 0.825 190 L CB 2.184 44.249 42.059 0.011 0.000 1.386 190 L HN 0.584 nan 8.230 nan 0.000 0.417 191 V N -1.625 118.082 119.914 -0.345 0.000 2.531 191 V HA 0.653 4.824 4.120 0.085 0.000 0.301 191 V C -1.125 174.680 176.094 -0.482 0.000 1.034 191 V CA -0.514 61.650 62.300 -0.226 0.000 0.865 191 V CB 1.422 33.163 31.823 -0.137 0.000 0.995 191 V HN 0.480 nan 8.190 nan 0.000 0.424 192 F N 1.983 121.985 119.950 0.087 0.000 2.577 192 F HA 0.801 5.379 4.527 0.085 0.000 0.318 192 F C 0.807 176.707 175.800 0.166 0.000 1.065 192 F CA -0.457 57.598 58.000 0.092 0.000 0.929 192 F CB 2.454 41.497 39.000 0.073 0.000 1.237 192 F HN 0.804 nan 8.300 nan 0.000 0.468 193 S N 0.416 116.309 115.700 0.322 0.000 2.655 193 S HA 0.260 4.782 4.470 0.085 0.000 0.265 193 S C 1.063 175.847 174.600 0.306 0.000 1.240 193 S CA -0.572 57.802 58.200 0.290 0.000 0.986 193 S CB 1.389 64.693 63.200 0.174 0.000 0.985 193 S HN 0.717 nan 8.310 nan 0.000 0.562 194 K N 0.934 121.519 120.400 0.308 0.000 2.103 194 K HA -0.028 4.343 4.320 0.085 0.000 0.207 194 K C 2.046 178.685 176.600 0.065 0.000 1.048 194 K CA 1.783 58.136 56.287 0.109 0.000 0.930 194 K CB -1.129 31.459 32.500 0.147 0.000 0.716 194 K HN 0.726 nan 8.250 nan 0.000 0.444 195 A N 0.966 123.847 122.820 0.101 0.000 1.902 195 A HA -0.154 4.217 4.320 0.085 0.000 0.217 195 A C 1.888 179.516 177.584 0.074 0.000 1.181 195 A CA 1.767 53.851 52.037 0.079 0.000 0.623 195 A CB -0.556 18.495 19.000 0.086 0.000 0.818 195 A HN 0.544 nan 8.150 nan 0.000 0.443 196 E N -0.435 119.832 120.200 0.112 0.000 2.333 196 E HA -0.046 4.355 4.350 0.085 0.000 0.198 196 E C 0.498 177.087 176.600 -0.017 0.000 1.007 196 E CA 0.522 56.988 56.400 0.111 0.000 0.845 196 E CB -0.160 29.721 29.700 0.302 0.000 0.766 196 E HN 0.579 nan 8.360 nan 0.000 0.507 197 L N 0.896 122.106 121.223 -0.022 0.000 2.984 197 L HA 0.248 4.639 4.340 0.085 0.000 0.246 197 L C 0.868 177.691 176.870 -0.079 0.000 1.268 197 L CA -0.808 53.967 54.840 -0.107 0.000 1.054 197 L CB 0.324 42.331 42.059 -0.085 0.000 1.393 197 L HN -0.031 nan 8.230 nan 0.000 0.532 198 G N -0.363 108.412 108.800 -0.042 0.000 2.414 198 G HA2 0.269 4.280 3.960 0.085 0.000 0.236 198 G HA3 0.269 4.280 3.960 0.085 0.000 0.236 198 G C 0.985 175.870 174.900 -0.025 0.000 1.293 198 G CA 0.544 45.636 45.100 -0.014 0.000 0.869 198 G HN 0.511 nan 8.290 nan 0.000 0.556 199 A N 1.216 124.031 122.820 -0.008 0.000 3.797 199 A HA -0.182 4.190 4.320 0.085 0.000 0.251 199 A C 0.874 178.437 177.584 -0.035 0.000 0.963 199 A CA 0.968 53.005 52.037 -0.001 0.000 1.494 199 A CB -2.067 16.956 19.000 0.037 0.000 0.978 199 A HN 0.849 nan 8.150 nan 0.000 0.821 200 L N 1.091 122.274 121.223 -0.066 0.000 2.367 200 L HA 0.346 4.737 4.340 0.085 0.000 0.275 200 L C -1.842 175.020 176.870 -0.013 0.000 1.129 200 L CA -1.738 53.045 54.840 -0.094 0.000 0.839 200 L CB 0.336 42.332 42.059 -0.106 0.000 1.133 200 L HN 0.135 nan 8.230 nan 0.000 0.453 201 P HA -0.016 nan 4.420 nan 0.000 0.267 201 P C 0.027 177.372 177.300 0.075 0.000 1.201 201 P CA -0.215 62.913 63.100 0.046 0.000 0.775 201 P CB 0.610 32.343 31.700 0.055 0.000 0.854 202 D N 0.992 121.420 120.400 0.046 0.000 2.123 202 D HA -0.166 4.525 4.640 0.085 0.000 0.196 202 D C 1.190 177.516 176.300 0.044 0.000 0.992 202 D CA 1.494 55.514 54.000 0.033 0.000 0.833 202 D CB -0.383 40.434 40.800 0.028 0.000 0.954 202 D HN 0.411 nan 8.370 nan 0.000 0.455 203 D N -0.587 119.853 120.400 0.067 0.000 2.149 203 D HA -0.141 4.550 4.640 0.085 0.000 0.198 203 D C 1.738 178.087 176.300 0.080 0.000 0.990 203 D CA 0.374 54.416 54.000 0.069 0.000 0.839 203 D CB -0.373 40.476 40.800 0.081 0.000 0.948 203 D HN 0.184 nan 8.370 nan 0.000 0.460 204 F N 1.070 121.009 119.950 -0.019 0.000 2.060 204 F HA -0.093 4.485 4.527 0.085 0.000 0.295 204 F C 2.160 177.919 175.800 -0.068 0.000 1.120 204 F CA 1.173 59.154 58.000 -0.032 0.000 1.205 204 F CB -0.381 38.588 39.000 -0.051 0.000 0.986 204 F HN -0.125 nan 8.300 nan 0.000 0.470 205 I N 0.397 120.926 120.570 -0.068 0.000 2.208 205 I HA -0.325 3.896 4.170 0.085 0.000 0.245 205 I C 1.761 177.770 176.117 -0.180 0.000 1.097 205 I CA 1.683 62.834 61.300 -0.249 0.000 1.363 205 I CB -0.629 37.203 38.000 -0.279 0.000 1.051 205 I HN 0.139 nan 8.210 nan 0.000 0.413 206 D N 0.230 120.583 120.400 -0.078 0.000 2.310 206 D HA -0.113 4.578 4.640 0.085 0.000 0.212 206 D C 2.204 178.486 176.300 -0.030 0.000 0.965 206 D CA 1.384 55.379 54.000 -0.008 0.000 0.879 206 D CB -0.087 40.721 40.800 0.012 0.000 0.921 206 D HN 0.374 nan 8.370 nan 0.000 0.510 207 S N -0.639 114.996 115.700 -0.109 0.000 2.558 207 S HA 0.065 4.586 4.470 0.085 0.000 0.217 207 S C 0.865 175.394 174.600 -0.119 0.000 0.975 207 S CA -0.277 57.865 58.200 -0.097 0.000 0.912 207 S CB -0.127 63.006 63.200 -0.112 0.000 0.776 207 S HN 0.079 nan 8.310 nan 0.000 0.526 208 L N 1.800 122.925 121.223 -0.163 0.000 2.334 208 L HA 0.461 4.852 4.340 0.085 0.000 0.277 208 L C 0.565 177.453 176.870 0.031 0.000 1.075 208 L CA -0.590 54.181 54.840 -0.116 0.000 0.804 208 L CB 0.865 42.830 42.059 -0.157 0.000 1.174 208 L HN 0.222 nan 8.230 nan 0.000 0.438 209 E N 2.300 122.517 120.200 0.030 0.000 2.383 209 E HA 0.106 4.507 4.350 0.085 0.000 0.264 209 E C -0.710 175.891 176.600 0.001 0.000 1.050 209 E CA -0.169 56.245 56.400 0.023 0.000 0.896 209 E CB 1.009 30.725 29.700 0.028 0.000 0.982 209 E HN 0.340 nan 8.360 nan 0.000 0.424 210 K N 1.500 121.864 120.400 -0.060 0.000 2.207 210 K HA 0.265 4.636 4.320 0.085 0.000 0.255 210 K C -0.447 176.076 176.600 -0.129 0.000 0.941 210 K CA -0.600 55.581 56.287 -0.177 0.000 0.825 210 K CB 1.412 33.757 32.500 -0.257 0.000 1.119 210 K HN 0.619 nan 8.250 nan 0.000 0.430 211 T N -1.215 113.251 114.554 -0.147 0.000 2.852 211 T HA 0.100 4.501 4.350 0.085 0.000 0.281 211 T C 0.756 175.399 174.700 -0.094 0.000 0.993 211 T CA -0.431 61.611 62.100 -0.096 0.000 0.933 211 T CB 0.553 69.372 68.868 -0.081 0.000 1.187 211 T HN 0.675 nan 8.240 nan 0.000 0.559 212 D N -0.915 119.445 120.400 -0.067 0.000 2.348 212 D HA 0.067 4.758 4.640 0.085 0.000 0.248 212 D C 0.238 176.502 176.300 -0.061 0.000 1.142 212 D CA 0.120 54.086 54.000 -0.057 0.000 0.904 212 D CB -0.316 40.459 40.800 -0.042 0.000 0.901 212 D HN 0.764 nan 8.370 nan 0.000 0.523 213 E N -1.000 119.152 120.200 -0.080 0.000 2.445 213 E HA 0.165 4.567 4.350 0.085 0.000 0.273 213 E C -0.821 175.708 176.600 -0.117 0.000 0.961 213 E CA -0.863 55.491 56.400 -0.077 0.000 0.807 213 E CB 0.748 30.411 29.700 -0.062 0.000 1.362 213 E HN -0.235 nan 8.360 nan 0.000 0.453 214 D N 0.949 121.293 120.400 -0.094 0.000 2.652 214 D HA 0.033 4.724 4.640 0.085 0.000 0.247 214 D C -0.770 175.430 176.300 -0.166 0.000 1.232 214 D CA 0.433 54.358 54.000 -0.125 0.000 0.863 214 D CB -0.050 40.732 40.800 -0.031 0.000 1.023 214 D HN 0.041 nan 8.370 nan 0.000 0.474 215 K N 0.211 120.483 120.400 -0.213 0.000 2.156 215 K HA 0.307 4.678 4.320 0.085 0.000 0.250 215 K C -0.594 175.813 176.600 -0.323 0.000 0.955 215 K CA -0.702 55.502 56.287 -0.138 0.000 0.855 215 K CB 1.322 33.787 32.500 -0.057 0.000 1.101 215 K HN -0.009 nan 8.250 nan 0.000 0.434 216 Y N 0.336 120.662 120.300 0.043 0.000 2.409 216 Y HA 0.341 4.942 4.550 0.085 0.000 0.339 216 Y C 0.537 176.466 175.900 0.049 0.000 1.033 216 Y CA -0.733 57.386 58.100 0.032 0.000 1.094 216 Y CB 1.587 40.066 38.460 0.031 0.000 1.210 216 Y HN 0.311 nan 8.280 nan 0.000 0.456 217 K N 1.953 122.437 120.400 0.140 0.000 2.234 217 K HA 0.644 5.015 4.320 0.085 0.000 0.282 217 K C -1.536 175.137 176.600 0.122 0.000 1.039 217 K CA -0.377 55.976 56.287 0.111 0.000 0.928 217 K CB 0.662 33.204 32.500 0.069 0.000 1.039 217 K HN 0.525 nan 8.250 nan 0.000 0.470 218 V N 3.862 123.892 119.914 0.193 0.000 2.525 218 V HA 0.209 4.380 4.120 0.085 0.000 0.299 218 V C 0.111 176.402 176.094 0.328 0.000 1.034 218 V CA -0.936 61.499 62.300 0.225 0.000 0.863 218 V CB 1.522 33.534 31.823 0.314 0.000 0.999 218 V HN 1.016 nan 8.190 nan 0.000 0.423 219 T N 2.471 117.332 114.554 0.513 0.000 2.862 219 T HA 0.471 4.873 4.350 0.085 0.000 0.276 219 T C 0.583 175.483 174.700 0.334 0.000 0.974 219 T CA -0.652 61.659 62.100 0.351 0.000 0.966 219 T CB 1.088 70.097 68.868 0.237 0.000 1.072 219 T HN 0.218 nan 8.240 nan 0.000 0.538 220 L N -0.384 120.980 121.223 0.236 0.000 2.592 220 L HA 0.272 4.663 4.340 0.085 0.000 0.227 220 L C 0.958 178.015 176.870 0.313 0.000 1.127 220 L CA 0.511 55.508 54.840 0.261 0.000 0.884 220 L CB -1.226 40.940 42.059 0.179 0.000 1.065 220 L HN 0.602 nan 8.230 nan 0.000 0.457 221 K N -0.303 120.241 120.400 0.241 0.000 2.355 221 K HA -0.026 4.345 4.320 0.085 0.000 0.270 221 K C 1.124 177.995 176.600 0.453 0.000 1.003 221 K CA -0.213 56.244 56.287 0.283 0.000 0.957 221 K CB 0.370 32.915 32.500 0.075 0.000 0.939 221 K HN -0.111 nan 8.250 nan 0.000 0.482 222 Y N 1.545 122.024 120.300 0.298 0.000 2.132 222 Y HA -0.202 4.399 4.550 0.085 0.000 0.280 222 Y C -0.576 175.580 175.900 0.426 0.000 1.193 222 Y CA 1.427 59.814 58.100 0.478 0.000 1.157 222 Y CB -1.966 36.813 38.460 0.531 0.000 0.966 222 Y HN 0.608 nan 8.280 nan 0.000 0.511 223 P HA -0.116 nan 4.420 nan 0.000 0.222 223 P C 0.968 178.570 177.300 0.503 0.000 1.147 223 P CA 1.923 65.236 63.100 0.356 0.000 0.790 223 P CB -0.042 31.775 31.700 0.194 0.000 0.780 224 H N -3.911 115.367 119.070 0.346 0.000 2.422 224 H HA 0.010 4.618 4.556 0.085 0.000 0.303 224 H C 1.817 177.267 175.328 0.203 0.000 1.033 224 H CA 0.148 56.429 56.048 0.388 0.000 1.335 224 H CB -0.321 29.628 29.762 0.311 0.000 1.458 224 H HN -0.002 nan 8.280 nan 0.000 0.556 225 Y N 1.384 121.735 120.300 0.085 0.000 2.081 225 Y HA -0.320 4.282 4.550 0.085 0.000 0.280 225 Y C 1.805 177.393 175.900 -0.520 0.000 1.163 225 Y CA 1.738 59.639 58.100 -0.331 0.000 1.135 225 Y CB -0.722 37.308 38.460 -0.715 0.000 0.970 225 Y HN 0.044 nan 8.280 nan 0.000 0.498 226 F N -0.433 119.344 119.950 -0.288 0.000 2.146 226 F HA -0.064 4.514 4.527 0.085 0.000 0.298 226 F C -0.444 175.108 175.800 -0.413 0.000 1.096 226 F CA 1.147 58.863 58.000 -0.473 0.000 1.275 226 F CB -1.864 36.946 39.000 -0.316 0.000 1.008 226 F HN 0.113 nan 8.300 nan 0.000 0.480 227 P HA -0.122 nan 4.420 nan 0.000 0.218 227 P C 1.790 178.804 177.300 -0.477 0.000 1.149 227 P CA 1.183 64.083 63.100 -0.334 0.000 0.817 227 P CB 0.046 31.456 31.700 -0.483 0.000 0.785 228 V N -1.072 118.538 119.914 -0.507 0.000 2.379 228 V HA -0.182 3.989 4.120 0.085 0.000 0.245 228 V C 2.239 178.101 176.094 -0.387 0.000 1.044 228 V CA 1.534 63.557 62.300 -0.462 0.000 1.036 228 V CB -0.979 30.607 31.823 -0.394 0.000 0.664 228 V HN 0.093 nan 8.190 nan 0.000 0.453 229 M N -0.343 118.968 119.600 -0.482 0.000 2.296 229 M HA -0.085 4.446 4.480 0.085 0.000 0.265 229 M C 1.952 178.172 176.300 -0.134 0.000 1.064 229 M CA 1.535 56.615 55.300 -0.368 0.000 1.109 229 M CB -0.988 31.255 32.600 -0.595 0.000 1.396 229 M HN 0.332 nan 8.290 nan 0.000 0.430 230 K N -0.227 120.073 120.400 -0.167 0.000 2.284 230 K HA 0.012 4.383 4.320 0.085 0.000 0.198 230 K C 1.628 178.254 176.600 0.043 0.000 1.048 230 K CA 0.623 56.885 56.287 -0.042 0.000 0.987 230 K CB 0.467 32.900 32.500 -0.112 0.000 0.800 230 K HN 0.300 nan 8.250 nan 0.000 0.486 231 K N -0.484 119.906 120.400 -0.017 0.000 2.474 231 K HA 0.132 4.503 4.320 0.085 0.000 0.202 231 K C 0.225 176.866 176.600 0.069 0.000 1.248 231 K CA -0.160 56.150 56.287 0.037 0.000 0.946 231 K CB 0.760 33.205 32.500 -0.092 0.000 1.102 231 K HN -0.022 nan 8.250 nan 0.000 0.541 232 C N 3.346 122.580 119.300 -0.110 0.000 2.648 232 C HA 0.011 4.522 4.460 0.085 0.000 0.406 232 C C 2.224 177.041 174.990 -0.288 0.000 1.406 232 C CA -0.655 58.249 59.018 -0.189 0.000 1.610 232 C CB -1.315 26.255 27.740 -0.284 0.000 2.451 232 C HN 0.770 nan 8.230 nan 0.000 0.608 233 C N 4.888 124.106 119.300 -0.137 0.000 2.539 233 C HA 0.198 4.709 4.460 0.085 0.000 0.271 233 C C 0.728 175.658 174.990 -0.100 0.000 1.412 233 C CA -0.204 58.737 59.018 -0.127 0.000 1.729 233 C CB -2.173 25.650 27.740 0.139 0.000 1.739 233 C HN 0.677 nan 8.230 nan 0.000 0.570 234 V N 3.760 123.577 119.914 -0.162 0.000 2.339 234 V HA 0.212 4.383 4.120 0.085 0.000 0.261 234 V C -0.587 175.332 176.094 -0.291 0.000 1.058 234 V CA -0.946 61.242 62.300 -0.187 0.000 0.897 234 V CB 0.497 32.252 31.823 -0.114 0.000 1.052 234 V HN 0.286 nan 8.190 nan 0.000 0.480 235 P HA -0.238 nan 4.420 nan 0.000 0.216 235 P C 1.460 178.654 177.300 -0.178 0.000 1.154 235 P CA 1.374 64.352 63.100 -0.204 0.000 0.865 235 P CB 0.640 32.221 31.700 -0.198 0.000 0.789 236 E N -0.244 119.821 120.200 -0.225 0.000 2.153 236 E HA -0.121 4.280 4.350 0.085 0.000 0.194 236 E C 1.890 178.393 176.600 -0.162 0.000 0.988 236 E CA 1.766 58.047 56.400 -0.199 0.000 0.811 236 E CB -1.007 28.612 29.700 -0.135 0.000 0.746 236 E HN 0.152 nan 8.360 nan 0.000 0.466 237 T N 0.164 114.628 114.554 -0.150 0.000 2.770 237 T HA -0.019 4.382 4.350 0.085 0.000 0.263 237 T C 1.742 176.306 174.700 -0.228 0.000 1.039 237 T CA 1.106 63.103 62.100 -0.173 0.000 1.142 237 T CB -0.160 68.482 68.868 -0.378 0.000 0.868 237 T HN 0.178 nan 8.240 nan 0.000 0.435 238 R N 0.871 121.235 120.500 -0.227 0.000 2.117 238 R HA -0.077 4.314 4.340 0.085 0.000 0.243 238 R C 2.647 178.874 176.300 -0.121 0.000 1.143 238 R CA 1.267 57.279 56.100 -0.147 0.000 0.968 238 R CB -0.292 29.981 30.300 -0.044 0.000 0.863 238 R HN 0.315 nan 8.270 nan 0.000 0.444 239 R N 1.171 121.438 120.500 -0.388 0.000 2.070 239 R HA -0.121 4.270 4.340 0.085 0.000 0.233 239 R C 1.843 177.902 176.300 -0.402 0.000 1.137 239 R CA 1.414 56.995 56.100 -0.865 0.000 0.945 239 R CB 0.085 29.612 30.300 -1.288 0.000 0.845 239 R HN -0.035 nan 8.270 nan 0.000 0.430 240 K N 0.073 120.351 120.400 -0.203 0.000 2.148 240 K HA -0.083 4.289 4.320 0.085 0.000 0.204 240 K C 2.056 178.701 176.600 0.075 0.000 1.050 240 K CA 1.001 57.267 56.287 -0.036 0.000 0.942 240 K CB -0.167 32.380 32.500 0.078 0.000 0.724 240 K HN 0.293 nan 8.250 nan 0.000 0.446 241 M N 0.953 120.611 119.600 0.096 0.000 2.117 241 M HA -0.114 4.417 4.480 0.085 0.000 0.262 241 M C 2.016 178.472 176.300 0.259 0.000 1.065 241 M CA 1.371 56.779 55.300 0.180 0.000 1.114 241 M CB -0.686 31.954 32.600 0.067 0.000 1.361 241 M HN 0.182 nan 8.290 nan 0.000 0.408 242 E N 0.075 120.408 120.200 0.221 0.000 2.106 242 E HA -0.202 4.199 4.350 0.085 0.000 0.192 242 E C 1.896 178.633 176.600 0.229 0.000 0.984 242 E CA 1.109 57.689 56.400 0.299 0.000 0.806 242 E CB -0.083 29.857 29.700 0.399 0.000 0.750 242 E HN 0.322 nan 8.360 nan 0.000 0.458 243 M N 0.760 120.444 119.600 0.139 0.000 2.099 243 M HA -0.019 4.512 4.480 0.085 0.000 0.262 243 M C 2.085 178.439 176.300 0.090 0.000 1.067 243 M CA 1.989 57.355 55.300 0.110 0.000 1.124 243 M CB -0.674 31.935 32.600 0.015 0.000 1.353 243 M HN 0.053 nan 8.290 nan 0.000 0.410 244 A N -0.752 122.114 122.820 0.077 0.000 1.933 244 A HA -0.148 4.223 4.320 0.085 0.000 0.218 244 A C 2.202 179.796 177.584 0.016 0.000 1.175 244 A CA 1.654 53.722 52.037 0.052 0.000 0.628 244 A CB -1.379 17.667 19.000 0.077 0.000 0.814 244 A HN 0.648 nan 8.150 nan 0.000 0.444 245 F N 0.135 119.964 119.950 -0.202 0.000 2.186 245 F HA -0.148 4.431 4.527 0.085 0.000 0.299 245 F C 1.796 177.368 175.800 -0.379 0.000 1.090 245 F CA 1.915 59.642 58.000 -0.456 0.000 1.307 245 F CB -0.129 38.258 39.000 -1.021 0.000 1.019 245 F HN 0.401 nan 8.300 nan 0.000 0.489 246 H N -1.274 117.811 119.070 0.024 0.000 2.537 246 H HA 0.158 4.765 4.556 0.085 0.000 0.295 246 H C 0.785 176.074 175.328 -0.064 0.000 1.054 246 H CA 0.587 56.605 56.048 -0.050 0.000 1.156 246 H CB -0.039 29.779 29.762 0.094 0.000 1.468 246 H HN 0.241 nan 8.280 nan 0.000 0.551 247 T N -2.847 111.706 114.554 -0.002 0.000 3.144 247 T HA 0.203 4.604 4.350 0.085 0.000 0.290 247 T C 0.616 175.275 174.700 -0.070 0.000 0.966 247 T CA -0.603 61.489 62.100 -0.013 0.000 0.907 247 T CB 0.305 69.179 68.868 0.010 0.000 1.152 247 T HN 0.038 nan 8.240 nan 0.000 0.532 248 R N 0.661 121.079 120.500 -0.136 0.000 2.570 248 R HA 0.357 4.748 4.340 0.085 0.000 0.277 248 R C 0.790 176.997 176.300 -0.155 0.000 1.039 248 R CA 0.347 56.350 56.100 -0.161 0.000 1.065 248 R CB -0.430 29.721 30.300 -0.247 0.000 0.964 248 R HN 0.430 nan 8.270 nan 0.000 0.428 249 C N 1.579 120.798 119.300 -0.135 0.000 4.184 249 C HA -0.216 4.295 4.460 0.085 0.000 0.295 249 C C 2.120 177.040 174.990 -0.118 0.000 1.477 249 C CA 0.972 59.906 59.018 -0.141 0.000 2.037 249 C CB -2.206 25.403 27.740 -0.219 0.000 1.282 249 C HN 1.008 nan 8.230 nan 0.000 0.783 250 K N 0.697 121.049 120.400 -0.081 0.000 2.052 250 K HA -0.306 4.066 4.320 0.085 0.000 0.215 250 K C 2.161 178.742 176.600 -0.031 0.000 1.053 250 K CA 2.297 58.556 56.287 -0.046 0.000 0.934 250 K CB -0.201 32.285 32.500 -0.024 0.000 0.717 250 K HN 0.812 nan 8.250 nan 0.000 0.450 251 Q N 0.227 120.008 119.800 -0.031 0.000 1.965 251 Q HA -0.203 4.188 4.340 0.085 0.000 0.200 251 Q C 1.799 177.787 176.000 -0.019 0.000 0.981 251 Q CA 2.003 57.795 55.803 -0.018 0.000 0.834 251 Q CB -0.024 28.703 28.738 -0.018 0.000 0.900 251 Q HN 0.345 nan 8.270 nan 0.000 0.426 252 E N 1.018 121.196 120.200 -0.037 0.000 2.065 252 E HA -0.209 4.192 4.350 0.085 0.000 0.201 252 E C 1.753 178.339 176.600 -0.022 0.000 1.016 252 E CA 1.829 58.207 56.400 -0.037 0.000 0.818 252 E CB -0.254 29.408 29.700 -0.063 0.000 0.749 252 E HN 0.386 nan 8.360 nan 0.000 0.453 253 N N -0.584 118.078 118.700 -0.063 0.000 2.354 253 N HA -0.033 4.758 4.740 0.085 0.000 0.179 253 N C 1.565 177.150 175.510 0.124 0.000 1.021 253 N CA 1.129 54.176 53.050 -0.006 0.000 0.887 253 N CB -0.296 38.011 38.487 -0.300 0.000 0.974 253 N HN 0.126 nan 8.380 nan 0.000 0.437 254 T N 0.424 115.014 114.554 0.059 0.000 2.777 254 T HA -0.011 4.390 4.350 0.085 0.000 0.266 254 T C 1.902 176.636 174.700 0.058 0.000 1.040 254 T CA 1.251 63.390 62.100 0.066 0.000 1.141 254 T CB -0.236 68.654 68.868 0.036 0.000 0.868 254 T HN 0.305 nan 8.240 nan 0.000 0.444 255 A N 0.902 123.746 122.820 0.041 0.000 1.972 255 A HA 0.014 4.385 4.320 0.085 0.000 0.219 255 A C 2.246 179.855 177.584 0.042 0.000 1.169 255 A CA 1.060 53.116 52.037 0.031 0.000 0.635 255 A CB -0.689 18.321 19.000 0.018 0.000 0.810 255 A HN 0.523 nan 8.150 nan 0.000 0.446 256 I N -0.474 120.142 120.570 0.077 0.000 2.202 256 I HA -0.235 3.986 4.170 0.085 0.000 0.242 256 I C 2.302 178.459 176.117 0.065 0.000 1.091 256 I CA 1.076 62.432 61.300 0.095 0.000 1.368 256 I CB -0.289 37.831 38.000 0.201 0.000 1.058 256 I HN 0.283 nan 8.210 nan 0.000 0.410 257 L N 0.043 121.319 121.223 0.089 0.000 2.131 257 L HA -0.245 4.147 4.340 0.085 0.000 0.210 257 L C 2.452 179.315 176.870 -0.011 0.000 1.092 257 L CA 1.339 56.189 54.840 0.017 0.000 0.759 257 L CB -0.479 41.610 42.059 0.050 0.000 0.903 257 L HN 0.354 nan 8.230 nan 0.000 0.435 258 Q N -0.808 118.997 119.800 0.008 0.000 2.369 258 Q HA -0.170 4.221 4.340 0.085 0.000 0.206 258 Q C 1.999 177.990 176.000 -0.015 0.000 0.963 258 Q CA 0.935 56.736 55.803 -0.004 0.000 0.894 258 Q CB 0.168 28.910 28.738 0.006 0.000 0.965 258 Q HN 0.618 nan 8.270 nan 0.000 0.475 259 Q N -0.574 119.217 119.800 -0.015 0.000 2.324 259 Q HA -0.013 4.379 4.340 0.085 0.000 0.207 259 Q C 1.823 177.796 176.000 -0.045 0.000 0.928 259 Q CA 0.158 55.947 55.803 -0.024 0.000 0.890 259 Q CB 0.119 28.848 28.738 -0.015 0.000 1.001 259 Q HN 0.185 nan 8.270 nan 0.000 0.517 260 L N 1.237 122.427 121.223 -0.054 0.000 1.994 260 L HA -0.141 4.250 4.340 0.085 0.000 0.208 260 L C 1.948 178.747 176.870 -0.119 0.000 1.071 260 L CA 1.718 56.504 54.840 -0.089 0.000 0.745 260 L CB -0.516 41.480 42.059 -0.105 0.000 0.892 260 L HN 0.185 nan 8.230 nan 0.000 0.431 261 L N -0.658 120.493 121.223 -0.119 0.000 2.083 261 L HA -0.147 4.244 4.340 0.085 0.000 0.209 261 L C -0.200 176.612 176.870 -0.097 0.000 1.083 261 L CA 1.129 55.886 54.840 -0.138 0.000 0.752 261 L CB -1.999 39.976 42.059 -0.140 0.000 0.899 261 L HN 0.265 nan 8.230 nan 0.000 0.433 262 P HA -0.120 nan 4.420 nan 0.000 0.219 262 P C 1.996 179.261 177.300 -0.059 0.000 1.150 262 P CA 1.097 64.168 63.100 -0.049 0.000 0.814 262 P CB 0.146 31.825 31.700 -0.035 0.000 0.787 263 L N -0.987 120.190 121.223 -0.077 0.000 2.083 263 L HA -0.142 4.249 4.340 0.085 0.000 0.209 263 L C 2.490 179.291 176.870 -0.116 0.000 1.083 263 L CA 1.510 56.298 54.840 -0.088 0.000 0.752 263 L CB -0.438 41.566 42.059 -0.092 0.000 0.899 263 L HN -0.074 nan 8.230 nan 0.000 0.433 264 R N -0.504 119.901 120.500 -0.158 0.000 2.115 264 R HA -0.088 4.303 4.340 0.085 0.000 0.230 264 R C 2.365 178.618 176.300 -0.080 0.000 1.111 264 R CA 1.063 57.022 56.100 -0.235 0.000 0.976 264 R CB -0.292 29.750 30.300 -0.431 0.000 0.870 264 R HN 0.342 nan 8.270 nan 0.000 0.445 265 A N 1.182 123.978 122.820 -0.039 0.000 1.841 265 A HA -0.202 4.169 4.320 0.085 0.000 0.214 265 A C 2.038 179.623 177.584 0.001 0.000 1.195 265 A CA 1.102 53.147 52.037 0.013 0.000 0.611 265 A CB -0.443 18.562 19.000 0.009 0.000 0.835 265 A HN 0.269 nan 8.150 nan 0.000 0.443 266 Q N -0.390 119.395 119.800 -0.024 0.000 2.077 266 Q HA -0.157 4.234 4.340 0.085 0.000 0.206 266 Q C 2.131 178.104 176.000 -0.044 0.000 0.989 266 Q CA 1.891 57.678 55.803 -0.028 0.000 0.853 266 Q CB -0.493 28.222 28.738 -0.038 0.000 0.907 266 Q HN 0.457 nan 8.270 nan 0.000 0.418 267 V N 1.012 120.879 119.914 -0.079 0.000 2.392 267 V HA -0.311 3.860 4.120 0.085 0.000 0.249 267 V C 2.259 178.270 176.094 -0.138 0.000 1.059 267 V CA 1.823 64.048 62.300 -0.125 0.000 1.051 267 V CB -1.033 30.685 31.823 -0.176 0.000 0.658 267 V HN 0.437 nan 8.190 nan 0.000 0.455 268 A N -0.553 122.209 122.820 -0.096 0.000 1.902 268 A HA -0.188 4.183 4.320 0.085 0.000 0.217 268 A C 2.316 179.960 177.584 0.099 0.000 1.181 268 A CA 1.593 53.608 52.037 -0.037 0.000 0.623 268 A CB -0.400 18.645 19.000 0.075 0.000 0.818 268 A HN 0.391 nan 8.150 nan 0.000 0.443 269 K N 0.020 120.457 120.400 0.063 0.000 2.002 269 K HA -0.052 4.319 4.320 0.085 0.000 0.209 269 K C 1.912 178.543 176.600 0.053 0.000 1.048 269 K CA 1.323 57.649 56.287 0.066 0.000 0.930 269 K CB -0.936 31.586 32.500 0.037 0.000 0.714 269 K HN 0.559 nan 8.250 nan 0.000 0.438 270 L N 0.787 122.019 121.223 0.015 0.000 2.129 270 L HA -0.180 4.211 4.340 0.085 0.000 0.212 270 L C 2.164 179.048 176.870 0.024 0.000 1.087 270 L CA 0.980 55.819 54.840 -0.002 0.000 0.757 270 L CB -0.414 41.619 42.059 -0.044 0.000 0.896 270 L HN 0.113 nan 8.230 nan 0.000 0.434 271 L N -0.689 120.579 121.223 0.075 0.000 2.591 271 L HA 0.144 4.535 4.340 0.085 0.000 0.228 271 L C 1.357 178.391 176.870 0.273 0.000 1.133 271 L CA 0.504 55.462 54.840 0.196 0.000 0.880 271 L CB -0.155 42.026 42.059 0.203 0.000 1.033 271 L HN 0.480 nan 8.230 nan 0.000 0.450 272 G N -1.003 107.891 108.800 0.156 0.000 2.131 272 G HA2 -0.288 3.723 3.960 0.085 0.000 0.223 272 G HA3 -0.288 3.723 3.960 0.085 0.000 0.223 272 G C -0.261 174.565 174.900 -0.124 0.000 0.990 272 G CA -0.459 44.646 45.100 0.008 0.000 0.671 272 G HN 0.230 nan 8.290 nan 0.000 0.521 273 Y N 0.054 120.398 120.300 0.072 0.000 2.446 273 Y HA 0.505 5.107 4.550 0.087 0.000 0.338 273 Y C 1.396 177.335 175.900 0.064 0.000 1.055 273 Y CA -0.961 57.191 58.100 0.087 0.000 1.101 273 Y CB 1.091 39.640 38.460 0.148 0.000 1.221 273 Y HN -0.035 nan 8.280 nan 0.000 0.460 274 N N 0.296 119.111 118.700 0.192 0.000 2.142 274 N HA -0.072 4.719 4.740 0.085 0.000 0.186 274 N C 0.426 176.021 175.510 0.141 0.000 1.023 274 N CA 1.511 54.638 53.050 0.128 0.000 0.852 274 N CB 0.004 38.547 38.487 0.094 0.000 0.998 274 N HN 0.763 nan 8.380 nan 0.000 0.424 275 T N -3.732 110.928 114.554 0.178 0.000 2.865 275 T HA 0.247 4.648 4.350 0.085 0.000 0.294 275 T C 0.651 175.477 174.700 0.209 0.000 1.119 275 T CA -0.656 61.547 62.100 0.172 0.000 1.007 275 T CB 2.164 71.123 68.868 0.151 0.000 1.225 275 T HN 0.043 nan 8.240 nan 0.000 0.515 276 H N 0.737 119.878 119.070 0.118 0.000 2.395 276 H HA 0.261 4.867 4.556 0.083 0.000 0.299 276 H C 2.257 177.673 175.328 0.147 0.000 1.070 276 H CA 2.278 58.395 56.048 0.115 0.000 1.356 276 H CB -0.580 29.258 29.762 0.128 0.000 1.401 276 H HN 0.773 nan 8.280 nan 0.000 0.524 277 A N 0.619 123.530 122.820 0.151 0.000 1.883 277 A HA -0.217 4.154 4.320 0.085 0.000 0.217 277 A C 2.113 179.691 177.584 -0.010 0.000 1.186 277 A CA 1.993 54.064 52.037 0.056 0.000 0.624 277 A CB -0.542 18.532 19.000 0.124 0.000 0.822 277 A HN 0.573 nan 8.150 nan 0.000 0.444 278 D N -1.449 118.989 120.400 0.064 0.000 2.178 278 D HA -0.111 4.580 4.640 0.085 0.000 0.202 278 D C 1.626 177.964 176.300 0.064 0.000 0.974 278 D CA 1.169 55.226 54.000 0.095 0.000 0.841 278 D CB -0.299 40.616 40.800 0.191 0.000 0.953 278 D HN 0.494 nan 8.370 nan 0.000 0.478 279 F N 1.799 121.603 119.950 -0.243 0.000 2.102 279 F HA -0.214 4.357 4.527 0.074 0.000 0.298 279 F C 2.177 177.697 175.800 -0.467 0.000 1.105 279 F CA 1.071 58.660 58.000 -0.685 0.000 1.239 279 F CB -0.392 38.150 39.000 -0.763 0.000 0.991 279 F HN -0.246 nan 8.300 nan 0.000 0.474 280 V N 0.352 120.020 119.914 -0.411 0.000 2.261 280 V HA -0.287 3.884 4.120 0.085 0.000 0.246 280 V C 2.368 178.292 176.094 -0.285 0.000 1.047 280 V CA 1.671 63.729 62.300 -0.404 0.000 1.015 280 V CB -0.843 30.795 31.823 -0.309 0.000 0.642 280 V HN 0.278 nan 8.190 nan 0.000 0.446 281 L N 0.158 121.271 121.223 -0.183 0.000 2.265 281 L HA -0.155 4.236 4.340 0.085 0.000 0.215 281 L C 2.378 179.169 176.870 -0.132 0.000 1.117 281 L CA 1.699 56.459 54.840 -0.133 0.000 0.782 281 L CB -1.091 40.891 42.059 -0.127 0.000 0.914 281 L HN 0.488 nan 8.230 nan 0.000 0.441 282 E N 0.035 120.149 120.200 -0.142 0.000 2.160 282 E HA -0.202 4.200 4.350 0.085 0.000 0.195 282 E C 1.831 178.362 176.600 -0.115 0.000 0.991 282 E CA 0.941 57.285 56.400 -0.093 0.000 0.810 282 E CB -0.026 29.650 29.700 -0.039 0.000 0.742 282 E HN 0.519 nan 8.360 nan 0.000 0.466 283 L N 0.809 121.930 121.223 -0.170 0.000 2.591 283 L HA 0.158 4.549 4.340 0.085 0.000 0.228 283 L C 0.159 176.971 176.870 -0.097 0.000 1.133 283 L CA -0.165 54.593 54.840 -0.137 0.000 0.880 283 L CB -0.221 41.732 42.059 -0.176 0.000 1.033 283 L HN 0.027 nan 8.230 nan 0.000 0.450 284 N N -1.074 117.569 118.700 -0.094 0.000 2.459 284 N HA 0.144 4.935 4.740 0.085 0.000 0.288 284 N C 1.260 176.736 175.510 -0.057 0.000 1.186 284 N CA -0.049 52.959 53.050 -0.071 0.000 0.917 284 N CB 1.282 39.723 38.487 -0.077 0.000 1.219 284 N HN -0.091 nan 8.380 nan 0.000 0.525 285 T N -2.728 111.829 114.554 0.005 0.000 2.962 285 T HA -0.085 4.317 4.350 0.085 0.000 0.270 285 T C 1.534 176.280 174.700 0.076 0.000 1.088 285 T CA 0.831 63.005 62.100 0.124 0.000 1.127 285 T CB -0.312 68.794 68.868 0.398 0.000 0.883 285 T HN 0.484 nan 8.240 nan 0.000 0.493 286 A N 1.608 124.244 122.820 -0.307 0.000 2.119 286 A HA 0.132 4.503 4.320 0.085 0.000 0.217 286 A C 1.831 179.264 177.584 -0.253 0.000 1.153 286 A CA 1.299 52.965 52.037 -0.618 0.000 0.692 286 A CB -0.550 17.727 19.000 -1.204 0.000 0.799 286 A HN 0.622 nan 8.150 nan 0.000 0.458 287 K N -1.642 118.668 120.400 -0.151 0.000 5.625 287 K HA -0.278 4.093 4.320 0.085 0.000 0.420 287 K C 0.586 177.136 176.600 -0.083 0.000 0.485 287 K CA 1.848 58.086 56.287 -0.083 0.000 1.772 287 K CB -1.738 30.749 32.500 -0.023 0.000 1.074 287 K HN 0.892 nan 8.250 nan 0.000 0.653 288 S N -1.995 113.639 115.700 -0.110 0.000 2.618 288 S HA 0.446 4.967 4.470 0.085 0.000 0.277 288 S C 0.696 175.228 174.600 -0.114 0.000 1.138 288 S CA -0.378 57.776 58.200 -0.076 0.000 0.844 288 S CB 2.128 65.314 63.200 -0.023 0.000 1.127 288 S HN 0.054 nan 8.310 nan 0.000 0.474 289 T N 2.104 116.622 114.554 -0.060 0.000 2.708 289 T HA -0.105 4.296 4.350 0.085 0.000 0.266 289 T C 2.159 176.839 174.700 -0.034 0.000 1.037 289 T CA 2.115 64.184 62.100 -0.051 0.000 1.146 289 T CB -0.807 68.067 68.868 0.009 0.000 0.865 289 T HN 0.897 nan 8.240 nan 0.000 0.435 290 S N 1.775 117.473 115.700 -0.004 0.000 2.399 290 S HA -0.109 4.412 4.470 0.085 0.000 0.231 290 S C 2.032 176.648 174.600 0.027 0.000 1.022 290 S CA 0.979 59.192 58.200 0.021 0.000 0.983 290 S CB -0.329 62.890 63.200 0.032 0.000 0.803 290 S HN 0.261 nan 8.310 nan 0.000 0.480 291 R N 1.528 122.032 120.500 0.006 0.000 2.075 291 R HA 0.119 4.511 4.340 0.085 0.000 0.232 291 R C 2.084 178.409 176.300 0.042 0.000 1.126 291 R CA 1.550 57.677 56.100 0.044 0.000 0.963 291 R CB -1.282 29.031 30.300 0.022 0.000 0.858 291 R HN 0.338 nan 8.270 nan 0.000 0.435 292 V N 0.852 120.686 119.914 -0.133 0.000 2.343 292 V HA -0.191 3.980 4.120 0.085 0.000 0.247 292 V C 2.326 178.443 176.094 0.039 0.000 1.051 292 V CA 1.919 64.093 62.300 -0.209 0.000 1.036 292 V CB -0.891 30.599 31.823 -0.556 0.000 0.654 292 V HN 0.531 nan 8.190 nan 0.000 0.451 293 A N -0.058 122.776 122.820 0.023 0.000 1.902 293 A HA -0.107 4.264 4.320 0.085 0.000 0.217 293 A C 2.400 180.039 177.584 0.093 0.000 1.181 293 A CA 2.035 54.107 52.037 0.058 0.000 0.623 293 A CB -0.718 18.312 19.000 0.050 0.000 0.818 293 A HN 0.570 nan 8.150 nan 0.000 0.443 294 A N -1.274 121.615 122.820 0.116 0.000 1.969 294 A HA 0.034 4.405 4.320 0.085 0.000 0.218 294 A C 1.993 179.682 177.584 0.175 0.000 1.169 294 A CA 1.497 53.611 52.037 0.129 0.000 0.635 294 A CB -0.642 18.437 19.000 0.132 0.000 0.810 294 A HN 0.688 nan 8.150 nan 0.000 0.445 295 F N 0.841 120.852 119.950 0.102 0.000 2.075 295 F HA -0.121 4.458 4.527 0.086 0.000 0.297 295 F C 1.879 177.740 175.800 0.101 0.000 1.113 295 F CA 1.767 59.851 58.000 0.140 0.000 1.218 295 F CB -0.457 38.717 39.000 0.290 0.000 0.984 295 F HN 0.139 nan 8.300 nan 0.000 0.472 296 L N -0.009 121.198 121.223 -0.028 0.000 1.994 296 L HA -0.206 4.185 4.340 0.085 0.000 0.208 296 L C 2.266 179.072 176.870 -0.106 0.000 1.071 296 L CA 1.547 56.301 54.840 -0.143 0.000 0.745 296 L CB -1.057 41.020 42.059 0.030 0.000 0.892 296 L HN 0.077 nan 8.230 nan 0.000 0.431 297 D N 0.319 120.706 120.400 -0.022 0.000 2.116 297 D HA -0.193 4.498 4.640 0.085 0.000 0.193 297 D C 1.792 178.082 176.300 -0.017 0.000 0.998 297 D CA 1.450 55.450 54.000 -0.000 0.000 0.836 297 D CB -0.333 40.488 40.800 0.035 0.000 0.951 297 D HN 0.312 nan 8.370 nan 0.000 0.449 298 D N -0.328 120.056 120.400 -0.026 0.000 2.178 298 D HA -0.078 4.614 4.640 0.085 0.000 0.202 298 D C 2.067 178.334 176.300 -0.055 0.000 0.974 298 D CA 0.160 54.147 54.000 -0.022 0.000 0.841 298 D CB -0.261 40.543 40.800 0.006 0.000 0.953 298 D HN 0.102 nan 8.370 nan 0.000 0.478 299 L N 1.040 122.177 121.223 -0.143 0.000 2.056 299 L HA -0.131 4.260 4.340 0.085 0.000 0.207 299 L C 2.271 179.106 176.870 -0.058 0.000 1.078 299 L CA 1.427 56.181 54.840 -0.143 0.000 0.749 299 L CB -0.706 41.147 42.059 -0.344 0.000 0.901 299 L HN 0.030 nan 8.230 nan 0.000 0.433 300 S N -2.014 113.652 115.700 -0.057 0.000 2.423 300 S HA -0.227 4.295 4.470 0.085 0.000 0.231 300 S C 1.916 176.514 174.600 -0.004 0.000 1.014 300 S CA 0.998 59.188 58.200 -0.018 0.000 0.965 300 S CB -0.401 62.794 63.200 -0.008 0.000 0.785 300 S HN 0.458 nan 8.310 nan 0.000 0.495 301 Q N 1.519 121.316 119.800 -0.006 0.000 2.083 301 Q HA 0.148 4.539 4.340 0.085 0.000 0.198 301 Q C 1.943 177.945 176.000 0.002 0.000 0.969 301 Q CA 1.441 57.246 55.803 0.003 0.000 0.838 301 Q CB -0.300 28.442 28.738 0.006 0.000 0.900 301 Q HN 0.411 nan 8.270 nan 0.000 0.436 302 K N -0.481 119.921 120.400 0.002 0.000 2.209 302 K HA 0.008 4.379 4.320 0.085 0.000 0.204 302 K C 1.452 178.053 176.600 0.002 0.000 1.048 302 K CA 0.814 57.104 56.287 0.006 0.000 0.940 302 K CB 0.013 32.525 32.500 0.019 0.000 0.729 302 K HN 0.228 nan 8.250 nan 0.000 0.451 303 L N -0.325 120.900 121.223 0.004 0.000 2.529 303 L HA 0.077 4.468 4.340 0.085 0.000 0.223 303 L C 2.034 178.903 176.870 -0.001 0.000 1.113 303 L CA 0.173 55.014 54.840 0.001 0.000 0.861 303 L CB -0.105 41.962 42.059 0.014 0.000 1.012 303 L HN 0.083 nan 8.230 nan 0.000 0.461 304 K N 1.242 121.642 120.400 0.001 0.000 2.034 304 K HA -0.197 4.175 4.320 0.085 0.000 0.214 304 K C -0.514 176.085 176.600 -0.001 0.000 1.051 304 K CA 1.968 58.255 56.287 0.001 0.000 0.931 304 K CB -0.755 31.746 32.500 0.003 0.000 0.715 304 K HN 0.194 nan 8.250 nan 0.000 0.446 305 P HA -0.167 nan 4.420 nan 0.000 0.218 305 P C 1.444 178.739 177.300 -0.008 0.000 1.149 305 P CA 0.977 64.074 63.100 -0.006 0.000 0.817 305 P CB 0.030 31.725 31.700 -0.008 0.000 0.785 306 L N 0.365 121.580 121.223 -0.013 0.000 2.109 306 L HA 0.138 4.529 4.340 0.085 0.000 0.207 306 L C 2.523 179.388 176.870 -0.008 0.000 1.086 306 L CA 1.994 56.823 54.840 -0.019 0.000 0.760 306 L CB -1.651 40.390 42.059 -0.031 0.000 0.910 306 L HN -0.058 nan 8.230 nan 0.000 0.437 307 G N -1.246 107.553 108.800 -0.002 0.000 2.408 307 G HA2 -0.209 3.802 3.960 0.085 0.000 0.217 307 G HA3 -0.209 3.802 3.960 0.085 0.000 0.217 307 G C 1.425 176.330 174.900 0.010 0.000 1.150 307 G CA 0.671 45.774 45.100 0.005 0.000 0.776 307 G HN 0.493 nan 8.290 nan 0.000 0.542 308 E N 0.566 120.770 120.200 0.007 0.000 2.072 308 E HA 0.006 4.408 4.350 0.085 0.000 0.191 308 E C 2.938 179.551 176.600 0.022 0.000 0.985 308 E CA 0.739 57.145 56.400 0.010 0.000 0.801 308 E CB -0.170 29.533 29.700 0.005 0.000 0.750 308 E HN 0.389 nan 8.360 nan 0.000 0.452 309 A N 1.664 124.496 122.820 0.020 0.000 1.877 309 A HA -0.257 4.114 4.320 0.085 0.000 0.216 309 A C 1.978 179.602 177.584 0.067 0.000 1.186 309 A CA 1.598 53.655 52.037 0.034 0.000 0.620 309 A CB -0.479 18.527 19.000 0.010 0.000 0.822 309 A HN 0.161 nan 8.150 nan 0.000 0.443 310 E N -0.908 119.319 120.200 0.046 0.000 2.077 310 E HA -0.214 4.187 4.350 0.085 0.000 0.193 310 E C 2.333 179.007 176.600 0.124 0.000 0.989 310 E CA 1.237 57.682 56.400 0.074 0.000 0.800 310 E CB -0.159 29.562 29.700 0.035 0.000 0.746 310 E HN 0.530 nan 8.360 nan 0.000 0.452 311 R N 0.920 121.462 120.500 0.070 0.000 2.096 311 R HA -0.156 4.235 4.340 0.085 0.000 0.235 311 R C 2.263 178.590 176.300 0.045 0.000 1.127 311 R CA 1.427 57.555 56.100 0.046 0.000 0.968 311 R CB 0.025 30.334 30.300 0.016 0.000 0.861 311 R HN 0.170 nan 8.270 nan 0.000 0.440 312 E N -0.632 119.605 120.200 0.062 0.000 2.047 312 E HA -0.224 4.177 4.350 0.085 0.000 0.191 312 E C 1.645 178.285 176.600 0.067 0.000 0.987 312 E CA 1.202 57.632 56.400 0.050 0.000 0.799 312 E CB -0.157 29.576 29.700 0.055 0.000 0.752 312 E HN 0.322 nan 8.360 nan 0.000 0.449 313 F N 1.189 121.126 119.950 -0.023 0.000 2.134 313 F HA -0.161 4.417 4.527 0.085 0.000 0.299 313 F C 1.989 177.767 175.800 -0.035 0.000 1.097 313 F CA 1.434 59.420 58.000 -0.023 0.000 1.264 313 F CB -0.081 38.913 39.000 -0.010 0.000 1.001 313 F HN 0.020 nan 8.300 nan 0.000 0.479 314 I N -0.441 120.201 120.570 0.121 0.000 2.226 314 I HA -0.281 3.941 4.170 0.085 0.000 0.245 314 I C 2.251 178.216 176.117 -0.253 0.000 1.100 314 I CA 0.829 62.116 61.300 -0.023 0.000 1.374 314 I CB -0.447 37.597 38.000 0.073 0.000 1.057 314 I HN 0.204 nan 8.210 nan 0.000 0.413 315 L N 0.754 121.882 121.223 -0.158 0.000 2.131 315 L HA -0.206 4.185 4.340 0.085 0.000 0.210 315 L C 2.762 179.528 176.870 -0.172 0.000 1.092 315 L CA 2.165 56.922 54.840 -0.139 0.000 0.759 315 L CB -0.672 41.362 42.059 -0.042 0.000 0.903 315 L HN 0.347 nan 8.230 nan 0.000 0.435 316 S N -1.843 113.724 115.700 -0.222 0.000 2.428 316 S HA -0.105 4.416 4.470 0.085 0.000 0.230 316 S C 2.001 176.409 174.600 -0.321 0.000 1.014 316 S CA 0.862 58.909 58.200 -0.254 0.000 0.957 316 S CB -0.662 62.382 63.200 -0.260 0.000 0.784 316 S HN 0.455 nan 8.310 nan 0.000 0.499 317 L N 1.058 122.042 121.223 -0.398 0.000 2.109 317 L HA 0.023 4.414 4.340 0.085 0.000 0.207 317 L C 2.885 179.624 176.870 -0.219 0.000 1.086 317 L CA 1.477 56.141 54.840 -0.294 0.000 0.760 317 L CB -0.435 41.500 42.059 -0.207 0.000 0.910 317 L HN 0.367 nan 8.230 nan 0.000 0.437 318 K N 0.954 121.067 120.400 -0.478 0.000 2.001 318 K HA -0.247 4.124 4.320 0.085 0.000 0.208 318 K C 2.243 178.716 176.600 -0.212 0.000 1.048 318 K CA 1.560 57.618 56.287 -0.380 0.000 0.932 318 K CB -0.000 32.219 32.500 -0.467 0.000 0.715 318 K HN 0.040 nan 8.250 nan 0.000 0.437 319 K N 1.128 121.265 120.400 -0.439 0.000 2.063 319 K HA -0.226 4.145 4.320 0.085 0.000 0.208 319 K C 2.154 178.494 176.600 -0.434 0.000 1.048 319 K CA 1.834 57.600 56.287 -0.869 0.000 0.928 319 K CB -0.065 31.943 32.500 -0.820 0.000 0.713 319 K HN 0.074 nan 8.250 nan 0.000 0.442 320 K N 0.650 120.893 120.400 -0.261 0.000 2.097 320 K HA -0.184 4.187 4.320 0.085 0.000 0.205 320 K C 1.976 178.526 176.600 -0.083 0.000 1.050 320 K CA 1.614 57.806 56.287 -0.158 0.000 0.938 320 K CB 0.024 32.443 32.500 -0.135 0.000 0.718 320 K HN 0.229 nan 8.250 nan 0.000 0.442 321 E N -0.046 120.146 120.200 -0.013 0.000 2.072 321 E HA -0.139 4.263 4.350 0.085 0.000 0.190 321 E C 1.775 178.412 176.600 0.060 0.000 0.982 321 E CA 1.083 57.526 56.400 0.073 0.000 0.803 321 E CB 0.009 29.860 29.700 0.252 0.000 0.755 321 E HN 0.395 nan 8.360 nan 0.000 0.453 322 C N 1.286 120.645 119.300 0.098 0.000 2.409 322 C HA -0.082 4.429 4.460 0.085 0.000 0.284 322 C C 2.207 177.219 174.990 0.037 0.000 1.354 322 C CA 0.761 59.877 59.018 0.164 0.000 1.787 322 C CB -0.908 26.938 27.740 0.176 0.000 1.900 322 C HN 0.496 nan 8.230 nan 0.000 0.520 323 E N 0.527 120.700 120.200 -0.046 0.000 2.060 323 E HA -0.107 4.294 4.350 0.085 0.000 0.189 323 E C 1.924 178.481 176.600 -0.072 0.000 0.974 323 E CA 0.703 57.068 56.400 -0.058 0.000 0.808 323 E CB -0.190 29.460 29.700 -0.083 0.000 0.768 323 E HN 0.672 nan 8.360 nan 0.000 0.453 324 E N 0.574 120.726 120.200 -0.081 0.000 2.409 324 E HA -0.089 4.312 4.350 0.085 0.000 0.198 324 E C 1.449 177.957 176.600 -0.154 0.000 1.024 324 E CA 0.489 56.834 56.400 -0.092 0.000 0.861 324 E CB 0.088 29.746 29.700 -0.069 0.000 0.788 324 E HN 0.063 nan 8.360 nan 0.000 0.521 325 R N -0.887 119.467 120.500 -0.244 0.000 2.476 325 R HA 0.131 4.522 4.340 0.085 0.000 0.276 325 R C 0.842 176.856 176.300 -0.477 0.000 0.941 325 R CA 0.397 56.194 56.100 -0.505 0.000 1.088 325 R CB 1.161 30.852 30.300 -1.015 0.000 1.216 325 R HN 0.188 nan 8.270 nan 0.000 0.533 326 G N 1.339 110.023 108.800 -0.194 0.000 2.168 326 G HA2 -0.314 3.697 3.960 0.085 0.000 0.257 326 G HA3 -0.314 3.697 3.960 0.085 0.000 0.257 326 G C 0.131 175.103 174.900 0.119 0.000 0.997 326 G CA 0.059 45.133 45.100 -0.043 0.000 0.708 326 G HN 0.297 nan 8.290 nan 0.000 0.520 327 F N 0.641 120.622 119.950 0.051 0.000 2.389 327 F HA 0.361 4.939 4.527 0.085 0.000 0.337 327 F C 1.158 177.014 175.800 0.093 0.000 1.112 327 F CA -0.752 57.292 58.000 0.072 0.000 1.192 327 F CB 0.695 39.748 39.000 0.089 0.000 1.185 327 F HN 0.173 nan 8.300 nan 0.000 0.552 328 E N 1.773 122.150 120.200 0.294 0.000 2.392 328 E HA 0.022 4.423 4.350 0.085 0.000 0.259 328 E C -1.662 175.105 176.600 0.279 0.000 1.108 328 E CA -0.366 56.164 56.400 0.218 0.000 0.916 328 E CB 0.835 30.620 29.700 0.142 0.000 0.989 328 E HN 0.469 nan 8.360 nan 0.000 0.432 329 Y N 2.268 122.616 120.300 0.081 0.000 2.446 329 Y HA 0.222 4.824 4.550 0.085 0.000 0.345 329 Y C -0.606 175.316 175.900 0.038 0.000 0.984 329 Y CA -1.084 57.052 58.100 0.060 0.000 1.058 329 Y CB 1.499 39.985 38.460 0.043 0.000 1.220 329 Y HN 0.582 nan 8.280 nan 0.000 0.455 330 D N 1.460 121.577 120.400 -0.472 0.000 2.469 330 D HA 0.187 4.879 4.640 0.085 0.000 0.215 330 D C 1.433 177.324 176.300 -0.682 0.000 1.154 330 D CA 0.346 54.089 54.000 -0.430 0.000 0.832 330 D CB 0.070 40.762 40.800 -0.179 0.000 1.008 330 D HN 0.935 nan 8.370 nan 0.000 0.506 331 G N 1.249 109.122 108.800 -1.545 0.000 2.180 331 G HA2 -0.349 3.662 3.960 0.085 0.000 0.263 331 G HA3 -0.349 3.662 3.960 0.085 0.000 0.263 331 G C 0.130 174.791 174.900 -0.397 0.000 0.989 331 G CA 1.028 45.538 45.100 -0.984 0.000 0.692 331 G HN 0.779 nan 8.290 nan 0.000 0.526 332 K N -0.999 119.194 120.400 -0.346 0.000 2.482 332 K HA 0.776 5.147 4.320 0.085 0.000 0.257 332 K C -0.540 175.948 176.600 -0.185 0.000 0.969 332 K CA -1.485 54.680 56.287 -0.203 0.000 0.842 332 K CB 1.871 34.262 32.500 -0.181 0.000 1.359 332 K HN 0.047 nan 8.250 nan 0.000 0.441 333 I N 2.944 123.416 120.570 -0.164 0.000 2.281 333 I HA 0.122 4.344 4.170 0.085 0.000 0.293 333 I C -0.212 175.747 176.117 -0.263 0.000 1.085 333 I CA -0.741 60.457 61.300 -0.171 0.000 1.257 333 I CB 0.414 38.350 38.000 -0.106 0.000 1.430 333 I HN 0.514 nan 8.210 nan 0.000 0.489 334 N N 4.179 122.606 118.700 -0.454 0.000 2.408 334 N HA 0.213 5.004 4.740 0.085 0.000 0.260 334 N C 1.086 176.232 175.510 -0.606 0.000 1.242 334 N CA -0.151 52.431 53.050 -0.780 0.000 0.959 334 N CB 1.257 38.694 38.487 -1.751 0.000 1.201 334 N HN 0.621 nan 8.380 nan 0.000 0.511 335 A N 0.753 123.298 122.820 -0.458 0.000 1.940 335 A HA -0.171 4.200 4.320 0.085 0.000 0.219 335 A C 1.453 179.049 177.584 0.020 0.000 1.176 335 A CA 1.466 53.450 52.037 -0.087 0.000 0.631 335 A CB -0.904 18.185 19.000 0.147 0.000 0.814 335 A HN 0.889 nan 8.150 nan 0.000 0.446 336 W N -0.682 120.676 121.300 0.096 0.000 3.434 336 W HA 0.346 5.057 4.660 0.085 0.000 0.297 336 W C -0.059 176.498 176.519 0.063 0.000 1.295 336 W CA 0.280 57.665 57.345 0.068 0.000 1.731 336 W CB -0.066 29.419 29.460 0.040 0.000 1.070 336 W HN 0.149 nan 8.180 nan 0.000 0.726 337 D N -0.058 120.284 120.400 -0.096 0.000 2.473 337 D HA -0.054 4.637 4.640 0.085 0.000 0.230 337 D C 1.981 178.423 176.300 0.237 0.000 1.097 337 D CA 0.087 54.146 54.000 0.099 0.000 0.861 337 D CB -0.274 40.545 40.800 0.033 0.000 1.114 337 D HN 0.152 nan 8.370 nan 0.000 0.500 338 L N 1.385 122.666 121.223 0.096 0.000 1.989 338 L HA -0.176 4.215 4.340 0.085 0.000 0.211 338 L C 2.026 178.978 176.870 0.136 0.000 1.071 338 L CA 2.120 57.012 54.840 0.087 0.000 0.749 338 L CB -0.820 41.216 42.059 -0.038 0.000 0.890 338 L HN 0.109 nan 8.230 nan 0.000 0.431 339 H N -2.992 116.148 119.070 0.116 0.000 2.352 339 H HA -0.246 4.361 4.556 0.085 0.000 0.299 339 H C 1.976 177.349 175.328 0.074 0.000 1.097 339 H CA 1.865 57.965 56.048 0.087 0.000 1.311 339 H CB -0.107 29.686 29.762 0.050 0.000 1.377 339 H HN 0.444 nan 8.280 nan 0.000 0.504 340 Y N 0.384 120.711 120.300 0.045 0.000 2.089 340 Y HA -0.338 4.263 4.550 0.085 0.000 0.282 340 Y C 1.849 177.623 175.900 -0.209 0.000 1.139 340 Y CA 1.631 59.635 58.100 -0.159 0.000 1.123 340 Y CB -0.712 37.555 38.460 -0.321 0.000 0.980 340 Y HN 0.176 nan 8.280 nan 0.000 0.493 341 Y N -0.668 119.693 120.300 0.102 0.000 2.352 341 Y HA -0.225 4.376 4.550 0.085 0.000 0.292 341 Y C 2.540 178.459 175.900 0.032 0.000 1.136 341 Y CA 1.462 59.564 58.100 0.005 0.000 1.227 341 Y CB -0.583 37.930 38.460 0.087 0.000 0.991 341 Y HN 0.195 nan 8.280 nan 0.000 0.545 342 M N -1.265 118.437 119.600 0.170 0.000 2.175 342 M HA -0.183 4.348 4.480 0.085 0.000 0.264 342 M C 1.953 178.302 176.300 0.082 0.000 1.063 342 M CA 1.669 57.052 55.300 0.139 0.000 1.119 342 M CB -0.441 32.240 32.600 0.136 0.000 1.377 342 M HN 0.124 nan 8.290 nan 0.000 0.415 343 T N 0.169 114.735 114.554 0.020 0.000 2.777 343 T HA -0.126 4.276 4.350 0.085 0.000 0.266 343 T C 1.864 176.531 174.700 -0.056 0.000 1.040 343 T CA 0.977 63.060 62.100 -0.028 0.000 1.141 343 T CB -0.162 68.655 68.868 -0.084 0.000 0.868 343 T HN 0.383 nan 8.240 nan 0.000 0.444 344 Q N 0.793 120.513 119.800 -0.134 0.000 2.096 344 Q HA -0.095 4.296 4.340 0.085 0.000 0.204 344 Q C 2.558 178.604 176.000 0.076 0.000 0.982 344 Q CA 1.474 57.222 55.803 -0.093 0.000 0.850 344 Q CB -0.967 27.695 28.738 -0.127 0.000 0.901 344 Q HN 0.489 nan 8.270 nan 0.000 0.422 345 T N 1.686 116.334 114.554 0.156 0.000 2.746 345 T HA -0.145 4.256 4.350 0.085 0.000 0.267 345 T C 1.701 176.474 174.700 0.121 0.000 1.039 345 T CA 1.415 63.641 62.100 0.210 0.000 1.142 345 T CB -0.114 68.866 68.868 0.187 0.000 0.866 345 T HN 0.387 nan 8.240 nan 0.000 0.444 346 E N 1.082 121.347 120.200 0.107 0.000 2.051 346 E HA -0.163 4.239 4.350 0.085 0.000 0.192 346 E C 2.350 179.028 176.600 0.130 0.000 0.991 346 E CA 1.141 57.622 56.400 0.134 0.000 0.799 346 E CB -0.157 29.601 29.700 0.096 0.000 0.748 346 E HN 0.614 nan 8.360 nan 0.000 0.449 347 E N 0.310 120.556 120.200 0.076 0.000 2.153 347 E HA -0.172 4.229 4.350 0.085 0.000 0.194 347 E C 1.872 178.502 176.600 0.049 0.000 0.988 347 E CA 0.706 57.139 56.400 0.055 0.000 0.811 347 E CB 0.058 29.768 29.700 0.017 0.000 0.746 347 E HN 0.112 nan 8.360 nan 0.000 0.466 348 L N 0.516 121.776 121.223 0.062 0.000 2.307 348 L HA -0.036 4.355 4.340 0.085 0.000 0.211 348 L C 1.861 178.717 176.870 -0.023 0.000 1.099 348 L CA 1.326 56.198 54.840 0.053 0.000 0.816 348 L CB 0.086 42.231 42.059 0.143 0.000 0.952 348 L HN -0.084 nan 8.230 nan 0.000 0.455 349 K N -2.255 118.100 120.400 -0.075 0.000 2.308 349 K HA 0.117 4.488 4.320 0.085 0.000 0.197 349 K C 0.887 177.057 176.600 -0.716 0.000 1.049 349 K CA 0.792 56.858 56.287 -0.368 0.000 0.991 349 K CB 0.412 32.686 32.500 -0.378 0.000 0.836 349 K HN 0.212 nan 8.250 nan 0.000 0.500 350 Y N -0.802 119.496 120.300 -0.002 0.000 2.460 350 Y HA 0.138 4.740 4.550 0.085 0.000 0.276 350 Y C 0.388 176.297 175.900 0.014 0.000 1.119 350 Y CA -0.433 57.670 58.100 0.005 0.000 1.181 350 Y CB 0.802 39.269 38.460 0.010 0.000 1.304 350 Y HN -0.192 nan 8.280 nan 0.000 0.536 351 S N 1.641 117.430 115.700 0.149 0.000 3.255 351 S HA -0.145 4.376 4.470 0.085 0.000 0.358 351 S C -0.536 174.124 174.600 0.100 0.000 0.915 351 S CA 0.022 58.280 58.200 0.096 0.000 1.335 351 S CB -1.169 62.063 63.200 0.053 0.000 0.938 351 S HN 0.138 nan 8.310 nan 0.000 0.550 352 V N 4.880 124.862 119.914 0.112 0.000 2.350 352 V HA 0.265 4.437 4.120 0.085 0.000 0.276 352 V C 0.574 176.715 176.094 0.079 0.000 1.028 352 V CA -0.703 61.651 62.300 0.090 0.000 0.860 352 V CB 1.691 33.568 31.823 0.089 0.000 0.990 352 V HN 0.693 nan 8.190 nan 0.000 0.453 353 D N 4.776 125.220 120.400 0.073 0.000 2.441 353 D HA 0.041 4.732 4.640 0.085 0.000 0.243 353 D C 1.309 177.663 176.300 0.090 0.000 1.257 353 D CA 0.036 54.083 54.000 0.078 0.000 1.027 353 D CB 0.919 41.767 40.800 0.081 0.000 1.084 353 D HN 0.474 nan 8.370 nan 0.000 0.514 354 Q N 2.048 121.902 119.800 0.089 0.000 2.077 354 Q HA -0.187 4.204 4.340 0.085 0.000 0.206 354 Q C 1.358 177.423 176.000 0.109 0.000 0.989 354 Q CA 1.200 57.066 55.803 0.104 0.000 0.853 354 Q CB 0.071 28.865 28.738 0.093 0.000 0.907 354 Q HN 0.574 nan 8.270 nan 0.000 0.418 355 E N 0.043 120.298 120.200 0.092 0.000 2.265 355 E HA -0.081 4.320 4.350 0.085 0.000 0.196 355 E C 1.881 178.543 176.600 0.103 0.000 0.996 355 E CA 0.689 57.140 56.400 0.086 0.000 0.832 355 E CB -0.110 29.632 29.700 0.070 0.000 0.756 355 E HN 0.209 nan 8.360 nan 0.000 0.491 356 S N 0.157 115.932 115.700 0.125 0.000 2.404 356 S HA -0.039 4.482 4.470 0.085 0.000 0.223 356 S C 1.865 176.603 174.600 0.230 0.000 1.040 356 S CA 0.155 58.456 58.200 0.168 0.000 0.957 356 S CB -0.037 63.260 63.200 0.161 0.000 0.826 356 S HN 0.163 nan 8.310 nan 0.000 0.491 357 L N 3.021 124.361 121.223 0.195 0.000 2.079 357 L HA -0.072 4.320 4.340 0.085 0.000 0.210 357 L C 2.256 179.267 176.870 0.235 0.000 1.081 357 L CA 2.418 57.378 54.840 0.200 0.000 0.752 357 L CB -0.815 41.323 42.059 0.131 0.000 0.896 357 L HN 0.507 nan 8.230 nan 0.000 0.433 358 K N -0.907 119.625 120.400 0.221 0.000 2.160 358 K HA -0.236 4.135 4.320 0.085 0.000 0.206 358 K C 1.703 178.360 176.600 0.096 0.000 1.047 358 K CA 2.016 58.437 56.287 0.223 0.000 0.930 358 K CB -0.648 31.927 32.500 0.124 0.000 0.720 358 K HN 0.438 nan 8.250 nan 0.000 0.450 359 E N -0.175 120.036 120.200 0.019 0.000 2.333 359 E HA -0.157 4.244 4.350 0.085 0.000 0.198 359 E C 0.816 177.193 176.600 -0.371 0.000 1.007 359 E CA 0.920 57.215 56.400 -0.176 0.000 0.845 359 E CB -0.097 29.506 29.700 -0.162 0.000 0.766 359 E HN 0.514 nan 8.360 nan 0.000 0.507 360 Y N -1.465 118.660 120.300 -0.292 0.000 2.466 360 Y HA 0.110 4.711 4.550 0.085 0.000 0.272 360 Y C 0.261 175.844 175.900 -0.527 0.000 1.169 360 Y CA 0.137 57.964 58.100 -0.454 0.000 1.285 360 Y CB 0.434 38.530 38.460 -0.607 0.000 1.078 360 Y HN -0.071 nan 8.280 nan 0.000 0.523 361 F N 1.183 121.178 119.950 0.075 0.000 2.532 361 F HA 0.382 4.961 4.527 0.086 0.000 0.313 361 F C -2.510 173.295 175.800 0.010 0.000 1.301 361 F CA -2.670 55.355 58.000 0.041 0.000 1.154 361 F CB 0.341 39.354 39.000 0.022 0.000 1.335 361 F HN -0.170 nan 8.300 nan 0.000 0.542 362 P HA 0.055 nan 4.420 nan 0.000 0.271 362 P C 1.295 178.684 177.300 0.149 0.000 1.216 362 P CA 0.124 63.289 63.100 0.109 0.000 0.771 362 P CB 1.243 33.004 31.700 0.100 0.000 0.864 363 I N 2.552 123.210 120.570 0.146 0.000 2.315 363 I HA -0.307 3.915 4.170 0.085 0.000 0.251 363 I C 1.685 177.919 176.117 0.195 0.000 1.125 363 I CA 1.688 63.101 61.300 0.187 0.000 1.392 363 I CB 0.051 38.194 38.000 0.240 0.000 1.065 363 I HN 0.452 nan 8.210 nan 0.000 0.424 364 E N -0.242 120.058 120.200 0.166 0.000 2.058 364 E HA -0.226 4.176 4.350 0.085 0.000 0.194 364 E C 2.196 178.875 176.600 0.131 0.000 0.997 364 E CA 1.809 58.298 56.400 0.148 0.000 0.801 364 E CB -0.127 29.648 29.700 0.125 0.000 0.746 364 E HN 0.402 nan 8.360 nan 0.000 0.450 365 V N 0.933 120.926 119.914 0.131 0.000 2.358 365 V HA -0.199 3.972 4.120 0.085 0.000 0.246 365 V C 2.335 178.508 176.094 0.131 0.000 1.047 365 V CA 1.183 63.558 62.300 0.125 0.000 1.035 365 V CB -0.283 31.619 31.823 0.131 0.000 0.658 365 V HN 0.119 nan 8.190 nan 0.000 0.452 366 V N -0.242 119.766 119.914 0.156 0.000 2.307 366 V HA -0.255 3.916 4.120 0.085 0.000 0.245 366 V C 2.573 178.655 176.094 -0.021 0.000 1.045 366 V CA 2.581 64.953 62.300 0.120 0.000 1.024 366 V CB -1.067 30.841 31.823 0.141 0.000 0.651 366 V HN 0.571 nan 8.190 nan 0.000 0.449 367 T N -0.431 114.143 114.554 0.034 0.000 2.652 367 T HA -0.229 4.172 4.350 0.085 0.000 0.267 367 T C 1.988 176.623 174.700 -0.107 0.000 1.039 367 T CA 1.784 63.841 62.100 -0.071 0.000 1.153 367 T CB -0.298 68.646 68.868 0.126 0.000 0.863 367 T HN 0.526 nan 8.240 nan 0.000 0.428 368 E N 0.879 121.084 120.200 0.009 0.000 2.110 368 E HA -0.107 4.294 4.350 0.085 0.000 0.193 368 E C 2.408 179.014 176.600 0.010 0.000 0.988 368 E CA 1.416 57.834 56.400 0.030 0.000 0.804 368 E CB -0.546 29.198 29.700 0.073 0.000 0.745 368 E HN 0.529 nan 8.360 nan 0.000 0.458 369 G N 1.946 110.757 108.800 0.017 0.000 2.394 369 G HA2 -0.222 3.789 3.960 0.085 0.000 0.214 369 G HA3 -0.222 3.789 3.960 0.085 0.000 0.214 369 G C 1.743 176.645 174.900 0.004 0.000 1.176 369 G CA 0.675 45.805 45.100 0.050 0.000 0.786 369 G HN 0.347 nan 8.290 nan 0.000 0.533 370 L N 0.159 121.294 121.223 -0.147 0.000 2.012 370 L HA -0.057 4.335 4.340 0.085 0.000 0.210 370 L C 2.803 179.464 176.870 -0.349 0.000 1.073 370 L CA 1.326 55.909 54.840 -0.429 0.000 0.748 370 L CB -0.213 41.243 42.059 -1.005 0.000 0.891 370 L HN 0.201 nan 8.230 nan 0.000 0.431 371 L N -0.816 120.200 121.223 -0.346 0.000 2.046 371 L HA -0.214 4.178 4.340 0.085 0.000 0.208 371 L C 2.851 179.808 176.870 0.144 0.000 1.077 371 L CA 1.457 56.252 54.840 -0.076 0.000 0.747 371 L CB -0.825 41.228 42.059 -0.010 0.000 0.896 371 L HN 0.378 nan 8.230 nan 0.000 0.432 372 S N 0.326 116.066 115.700 0.067 0.000 2.370 372 S HA -0.184 4.337 4.470 0.085 0.000 0.226 372 S C 1.989 176.627 174.600 0.063 0.000 1.033 372 S CA 1.278 59.519 58.200 0.068 0.000 1.011 372 S CB -0.219 63.019 63.200 0.064 0.000 0.852 372 S HN 0.283 nan 8.310 nan 0.000 0.457 373 I N -0.261 120.350 120.570 0.067 0.000 2.179 373 I HA -0.167 4.054 4.170 0.085 0.000 0.242 373 I C 2.092 178.190 176.117 -0.031 0.000 1.088 373 I CA 1.539 62.860 61.300 0.034 0.000 1.357 373 I CB -0.444 37.589 38.000 0.055 0.000 1.051 373 I HN 0.345 nan 8.210 nan 0.000 0.409 374 Y N 1.028 121.288 120.300 -0.067 0.000 2.181 374 Y HA -0.272 4.329 4.550 0.085 0.000 0.288 374 Y C 2.757 178.654 175.900 -0.006 0.000 1.146 374 Y CA 1.461 59.577 58.100 0.026 0.000 1.164 374 Y CB -0.470 38.162 38.460 0.286 0.000 0.982 374 Y HN 0.193 nan 8.280 nan 0.000 0.515 375 Q N -0.100 119.714 119.800 0.022 0.000 2.002 375 Q HA -0.297 4.094 4.340 0.085 0.000 0.204 375 Q C 2.279 178.220 176.000 -0.098 0.000 0.988 375 Q CA 2.038 57.679 55.803 -0.271 0.000 0.843 375 Q CB -0.296 28.263 28.738 -0.298 0.000 0.908 375 Q HN 0.569 nan 8.270 nan 0.000 0.420 376 E N 0.387 120.569 120.200 -0.029 0.000 2.077 376 E HA -0.226 4.175 4.350 0.085 0.000 0.193 376 E C 2.030 178.651 176.600 0.034 0.000 0.989 376 E CA 0.893 57.298 56.400 0.009 0.000 0.800 376 E CB -0.045 29.677 29.700 0.036 0.000 0.746 376 E HN 0.209 nan 8.360 nan 0.000 0.452 377 L N 0.548 121.787 121.223 0.025 0.000 2.056 377 L HA -0.095 4.297 4.340 0.085 0.000 0.207 377 L C 1.948 178.874 176.870 0.095 0.000 1.078 377 L CA 1.567 56.442 54.840 0.058 0.000 0.749 377 L CB -0.068 41.948 42.059 -0.071 0.000 0.901 377 L HN 0.205 nan 8.230 nan 0.000 0.433 378 L N -0.517 120.752 121.223 0.077 0.000 2.607 378 L HA 0.330 4.721 4.340 0.085 0.000 0.228 378 L C 1.117 178.031 176.870 0.074 0.000 1.123 378 L CA 0.310 55.219 54.840 0.115 0.000 0.890 378 L CB -0.701 41.457 42.059 0.164 0.000 1.103 378 L HN 0.454 nan 8.230 nan 0.000 0.468 379 G N 1.538 110.359 108.800 0.036 0.000 2.314 379 G HA2 -0.257 3.755 3.960 0.085 0.000 0.292 379 G HA3 -0.257 3.755 3.960 0.085 0.000 0.292 379 G C -0.317 174.573 174.900 -0.017 0.000 1.059 379 G CA 0.164 45.273 45.100 0.015 0.000 0.982 379 G HN 0.266 nan 8.290 nan 0.000 0.505 380 L N -0.480 120.686 121.223 -0.096 0.000 2.327 380 L HA 0.862 5.253 4.340 0.085 0.000 0.258 380 L C 0.404 177.077 176.870 -0.328 0.000 1.024 380 L CA -0.724 54.013 54.840 -0.172 0.000 0.825 380 L CB 2.471 44.423 42.059 -0.179 0.000 1.386 380 L HN 0.450 nan 8.230 nan 0.000 0.417 381 S N 0.030 115.579 115.700 -0.252 0.000 2.532 381 S HA 0.744 5.265 4.470 0.085 0.000 0.299 381 S C -1.209 173.358 174.600 -0.054 0.000 1.105 381 S CA -0.584 57.498 58.200 -0.195 0.000 1.018 381 S CB 1.065 64.243 63.200 -0.038 0.000 1.021 381 S HN 0.254 nan 8.310 nan 0.000 0.483 382 F N 1.508 121.538 119.950 0.135 0.000 2.426 382 F HA 0.622 5.200 4.527 0.085 0.000 0.348 382 F C 0.449 176.359 175.800 0.184 0.000 1.124 382 F CA -1.176 56.926 58.000 0.170 0.000 1.008 382 F CB 1.602 40.735 39.000 0.221 0.000 1.139 382 F HN 0.830 nan 8.300 nan 0.000 0.452 383 E N 2.632 123.024 120.200 0.320 0.000 2.224 383 E HA 0.258 4.660 4.350 0.085 0.000 0.265 383 E C -1.043 175.536 176.600 -0.036 0.000 0.878 383 E CA -0.800 55.693 56.400 0.155 0.000 0.759 383 E CB 1.485 31.225 29.700 0.068 0.000 1.164 383 E HN 0.687 nan 8.360 nan 0.000 0.414 384 Q N 3.307 122.958 119.800 -0.249 0.000 2.313 384 Q HA 0.177 4.568 4.340 0.085 0.000 0.266 384 Q C -0.916 174.863 176.000 -0.368 0.000 0.989 384 Q CA -0.484 54.901 55.803 -0.697 0.000 0.890 384 Q CB 0.962 29.227 28.738 -0.788 0.000 1.200 384 Q HN 0.418 nan 8.270 nan 0.000 0.396 385 V N 8.352 128.048 119.914 -0.364 0.000 2.439 385 V HA 0.040 4.211 4.120 0.085 0.000 0.271 385 V C -1.490 174.504 176.094 -0.166 0.000 1.040 385 V CA -1.091 61.085 62.300 -0.208 0.000 1.002 385 V CB 0.557 32.272 31.823 -0.179 0.000 1.000 385 V HN 0.927 nan 8.190 nan 0.000 0.477 386 P HA -0.178 nan 4.420 nan 0.000 0.207 386 P C 0.297 177.563 177.300 -0.058 0.000 0.954 386 P CA 1.313 64.367 63.100 -0.075 0.000 0.990 386 P CB 0.130 31.801 31.700 -0.048 0.000 0.721 387 D N -0.374 120.007 120.400 -0.033 0.000 2.540 387 D HA 0.369 5.060 4.640 0.085 0.000 0.251 387 D C -0.276 176.031 176.300 0.012 0.000 1.159 387 D CA -0.132 53.862 54.000 -0.010 0.000 0.974 387 D CB 0.391 41.192 40.800 0.001 0.000 0.996 387 D HN 0.119 nan 8.370 nan 0.000 0.512 388 A N 1.537 124.360 122.820 0.004 0.000 2.322 388 A HA 0.112 4.483 4.320 0.085 0.000 0.269 388 A C 0.101 177.764 177.584 0.132 0.000 1.094 388 A CA -0.428 51.639 52.037 0.051 0.000 0.807 388 A CB 0.521 19.518 19.000 -0.006 0.000 1.047 388 A HN 0.577 nan 8.150 nan 0.000 0.487 389 H N 1.797 120.935 119.070 0.114 0.000 2.782 389 H HA 0.459 5.066 4.556 0.085 0.000 0.285 389 H C -0.488 175.010 175.328 0.285 0.000 1.093 389 H CA 0.045 56.196 56.048 0.171 0.000 1.410 389 H CB 0.357 30.224 29.762 0.174 0.000 1.439 389 H HN 0.568 nan 8.280 nan 0.000 0.469 390 V N 2.788 122.610 119.914 -0.152 0.000 3.126 390 V HA 0.273 4.444 4.120 0.085 0.000 0.314 390 V C 0.295 176.195 176.094 -0.324 0.000 1.138 390 V CA -0.968 61.109 62.300 -0.372 0.000 1.034 390 V CB 1.203 32.734 31.823 -0.487 0.000 1.075 390 V HN 0.898 nan 8.190 nan 0.000 0.442 391 W N -0.082 121.053 121.300 -0.276 0.000 2.905 391 W HA 0.458 5.169 4.660 0.086 0.000 0.251 391 W C 0.512 176.952 176.519 -0.133 0.000 1.305 391 W CA 0.332 57.553 57.345 -0.207 0.000 1.465 391 W CB -0.117 29.135 29.460 -0.346 0.000 1.122 391 W HN 0.743 nan 8.180 nan 0.000 0.659 392 N N 1.264 119.819 118.700 -0.242 0.000 2.446 392 N HA 0.027 4.818 4.740 0.085 0.000 0.272 392 N C 0.736 176.149 175.510 -0.162 0.000 1.127 392 N CA -0.296 52.691 53.050 -0.104 0.000 0.896 392 N CB 1.537 40.021 38.487 -0.005 0.000 1.658 392 N HN 0.133 nan 8.380 nan 0.000 0.483 393 K N 0.149 120.508 120.400 -0.069 0.000 2.442 393 K HA -0.021 4.350 4.320 0.085 0.000 0.198 393 K C 1.063 177.641 176.600 -0.037 0.000 1.042 393 K CA 1.168 57.423 56.287 -0.052 0.000 0.958 393 K CB 0.108 32.599 32.500 -0.016 0.000 0.766 393 K HN 0.227 nan 8.250 nan 0.000 0.474 394 S N 0.659 116.347 115.700 -0.021 0.000 2.562 394 S HA 0.085 4.606 4.470 0.085 0.000 0.221 394 S C 0.336 174.942 174.600 0.011 0.000 0.975 394 S CA -0.446 57.785 58.200 0.051 0.000 0.918 394 S CB 0.037 63.321 63.200 0.140 0.000 0.772 394 S HN 0.172 nan 8.310 nan 0.000 0.531 395 V N 2.911 122.750 119.914 -0.126 0.000 2.546 395 V HA 0.466 4.638 4.120 0.085 0.000 0.284 395 V C 0.219 176.244 176.094 -0.116 0.000 1.050 395 V CA -0.498 61.683 62.300 -0.200 0.000 0.981 395 V CB 1.317 32.761 31.823 -0.633 0.000 0.990 395 V HN 0.488 nan 8.190 nan 0.000 0.474 396 S N 5.103 120.800 115.700 -0.004 0.000 2.532 396 S HA 0.842 5.363 4.470 0.085 0.000 0.301 396 S C -0.995 173.618 174.600 0.022 0.000 1.083 396 S CA -0.781 57.420 58.200 0.001 0.000 1.025 396 S CB 1.994 65.242 63.200 0.080 0.000 1.056 396 S HN 0.592 nan 8.310 nan 0.000 0.494 397 L N 1.988 123.113 121.223 -0.163 0.000 2.346 397 L HA 0.740 5.131 4.340 0.085 0.000 0.274 397 L C -2.027 174.581 176.870 -0.437 0.000 1.007 397 L CA -0.551 54.105 54.840 -0.307 0.000 0.818 397 L CB 1.232 43.069 42.059 -0.370 0.000 1.284 397 L HN 0.831 nan 8.230 nan 0.000 0.424 398 Y N 1.680 121.597 120.300 -0.638 0.000 2.477 398 Y HA 0.606 5.208 4.550 0.085 0.000 0.347 398 Y C 0.060 175.588 175.900 -0.621 0.000 0.981 398 Y CA -0.704 56.975 58.100 -0.701 0.000 1.033 398 Y CB 2.497 40.233 38.460 -1.205 0.000 1.245 398 Y HN 0.520 nan 8.280 nan 0.000 0.455 399 T N 3.011 117.459 114.554 -0.178 0.000 2.829 399 T HA 0.528 4.929 4.350 0.085 0.000 0.282 399 T C -0.791 173.943 174.700 0.056 0.000 0.990 399 T CA -0.592 61.457 62.100 -0.086 0.000 1.028 399 T CB 0.769 69.609 68.868 -0.047 0.000 0.951 399 T HN 0.296 nan 8.240 nan 0.000 0.460 400 V N 4.939 124.914 119.914 0.103 0.000 2.357 400 V HA 0.435 4.606 4.120 0.085 0.000 0.284 400 V C 0.057 176.243 176.094 0.152 0.000 1.018 400 V CA -0.747 61.716 62.300 0.271 0.000 0.841 400 V CB 1.114 33.154 31.823 0.363 0.000 0.991 400 V HN 0.735 nan 8.190 nan 0.000 0.437 401 K N 2.584 123.061 120.400 0.128 0.000 2.259 401 K HA 0.408 4.779 4.320 0.085 0.000 0.249 401 K C -0.656 175.971 176.600 0.045 0.000 0.942 401 K CA -0.858 55.466 56.287 0.062 0.000 0.816 401 K CB 2.162 34.694 32.500 0.054 0.000 1.155 401 K HN 0.696 nan 8.250 nan 0.000 0.428 402 D N 2.627 123.047 120.400 0.032 0.000 2.343 402 D HA -0.028 4.663 4.640 0.085 0.000 0.255 402 D C 0.771 177.091 176.300 0.033 0.000 1.187 402 D CA 0.303 54.322 54.000 0.032 0.000 0.875 402 D CB 1.179 42.001 40.800 0.036 0.000 1.136 402 D HN 0.529 nan 8.370 nan 0.000 0.469 403 K N 3.504 123.912 120.400 0.014 0.000 2.044 403 K HA -0.248 4.123 4.320 0.085 0.000 0.210 403 K C 1.588 178.207 176.600 0.033 0.000 1.049 403 K CA 1.720 58.015 56.287 0.013 0.000 0.927 403 K CB -0.058 32.440 32.500 -0.004 0.000 0.713 403 K HN 0.476 nan 8.250 nan 0.000 0.443 404 A N 0.483 123.327 122.820 0.040 0.000 1.854 404 A HA -0.121 4.250 4.320 0.085 0.000 0.214 404 A C 2.245 179.870 177.584 0.068 0.000 1.192 404 A CA 2.206 54.271 52.037 0.048 0.000 0.611 404 A CB -1.027 18.001 19.000 0.046 0.000 0.832 404 A HN 0.651 nan 8.150 nan 0.000 0.442 405 T N -4.785 109.825 114.554 0.094 0.000 3.054 405 T HA 0.383 4.784 4.350 0.085 0.000 0.259 405 T C 1.526 176.363 174.700 0.229 0.000 1.092 405 T CA 1.246 63.441 62.100 0.157 0.000 1.121 405 T CB 0.116 69.105 68.868 0.201 0.000 0.912 405 T HN 1.768 nan 8.240 nan 0.000 0.489 406 G N 1.303 110.201 108.800 0.164 0.000 2.176 406 G HA2 -0.272 3.739 3.960 0.085 0.000 0.253 406 G HA3 -0.272 3.739 3.960 0.085 0.000 0.253 406 G C -0.130 174.862 174.900 0.152 0.000 0.979 406 G CA 0.221 45.429 45.100 0.181 0.000 0.641 406 G HN 0.881 nan 8.290 nan 0.000 0.530 407 E N 0.542 120.756 120.200 0.022 0.000 2.465 407 E HA 0.313 4.714 4.350 0.085 0.000 0.260 407 E C 0.262 176.755 176.600 -0.180 0.000 0.980 407 E CA -0.220 55.959 56.400 -0.367 0.000 0.927 407 E CB 0.556 30.051 29.700 -0.342 0.000 0.934 407 E HN 0.164 nan 8.360 nan 0.000 0.459 408 V N 7.786 127.572 119.914 -0.214 0.000 2.339 408 V HA 0.018 4.189 4.120 0.085 0.000 0.261 408 V C 1.224 177.272 176.094 -0.077 0.000 1.058 408 V CA -0.001 62.247 62.300 -0.087 0.000 0.897 408 V CB 0.502 32.287 31.823 -0.063 0.000 1.052 408 V HN 0.774 nan 8.190 nan 0.000 0.480 409 L N 3.811 125.020 121.223 -0.024 0.000 2.072 409 L HA 0.274 4.666 4.340 0.085 0.000 0.205 409 L C 1.300 178.178 176.870 0.014 0.000 1.079 409 L CA 1.475 56.314 54.840 -0.002 0.000 0.752 409 L CB -0.231 41.853 42.059 0.042 0.000 0.906 409 L HN 0.795 nan 8.230 nan 0.000 0.436 410 G N -1.758 107.061 108.800 0.032 0.000 2.348 410 G HA2 0.376 4.387 3.960 0.085 0.000 0.296 410 G HA3 0.376 4.387 3.960 0.085 0.000 0.296 410 G C -1.868 173.039 174.900 0.011 0.000 1.258 410 G CA -0.624 44.493 45.100 0.028 0.000 0.868 410 G HN -0.028 nan 8.290 nan 0.000 0.488 411 Q N -0.921 118.874 119.800 -0.008 0.000 2.421 411 Q HA 0.657 5.049 4.340 0.085 0.000 0.280 411 Q C -1.608 174.359 176.000 -0.055 0.000 1.085 411 Q CA -0.821 54.908 55.803 -0.122 0.000 0.807 411 Q CB 3.008 31.631 28.738 -0.191 0.000 1.405 411 Q HN 0.718 nan 8.270 nan 0.000 0.419 412 F N -1.244 118.629 119.950 -0.129 0.000 2.588 412 F HA 0.666 5.244 4.527 0.085 0.000 0.310 412 F C -1.700 174.050 175.800 -0.084 0.000 1.082 412 F CA -1.144 56.804 58.000 -0.085 0.000 0.929 412 F CB 0.785 39.713 39.000 -0.120 0.000 1.254 412 F HN 0.369 nan 8.300 nan 0.000 0.455 413 Y N 2.375 122.898 120.300 0.373 0.000 2.420 413 Y HA 0.706 5.307 4.550 0.085 0.000 0.334 413 Y C -0.404 175.685 175.900 0.315 0.000 1.094 413 Y CA -1.099 57.153 58.100 0.253 0.000 1.126 413 Y CB 1.855 40.397 38.460 0.136 0.000 1.217 413 Y HN 0.573 nan 8.280 nan 0.000 0.462 414 L N 3.138 124.595 121.223 0.391 0.000 2.319 414 L HA 0.365 4.756 4.340 0.085 0.000 0.281 414 L C -1.032 175.908 176.870 0.116 0.000 1.005 414 L CA -0.525 54.464 54.840 0.247 0.000 0.828 414 L CB 1.463 43.675 42.059 0.256 0.000 1.227 414 L HN 0.611 nan 8.230 nan 0.000 0.415 415 D N 4.251 124.693 120.400 0.070 0.000 2.438 415 D HA 0.298 4.989 4.640 0.085 0.000 0.257 415 D C 0.456 176.652 176.300 -0.174 0.000 1.148 415 D CA -0.281 53.733 54.000 0.024 0.000 0.902 415 D CB 1.290 42.222 40.800 0.220 0.000 1.062 415 D HN 0.403 nan 8.370 nan 0.000 0.518 416 L N 1.998 122.989 121.223 -0.386 0.000 2.477 416 L HA 0.173 4.564 4.340 0.085 0.000 0.220 416 L C 0.071 176.481 176.870 -0.766 0.000 1.106 416 L CA 0.260 54.660 54.840 -0.735 0.000 0.851 416 L CB -0.069 41.473 42.059 -0.861 0.000 0.994 416 L HN 0.234 nan 8.230 nan 0.000 0.462 417 Y N 0.258 120.519 120.300 -0.064 0.000 2.420 417 Y HA 0.436 5.037 4.550 0.086 0.000 0.334 417 Y C -2.119 173.762 175.900 -0.031 0.000 1.094 417 Y CA -3.785 54.299 58.100 -0.027 0.000 1.126 417 Y CB 0.056 38.522 38.460 0.010 0.000 1.217 417 Y HN -0.229 nan 8.280 nan 0.000 0.462 418 P HA 0.126 nan 4.420 nan 0.000 0.267 418 P C -0.741 176.597 177.300 0.062 0.000 1.200 418 P CA -0.052 63.085 63.100 0.061 0.000 0.772 418 P CB 1.220 32.953 31.700 0.055 0.000 0.855 419 R N 0.836 121.351 120.500 0.024 0.000 2.594 419 R HA 0.176 4.568 4.340 0.085 0.000 0.265 419 R C -0.645 175.650 176.300 -0.008 0.000 1.070 419 R CA -0.678 55.434 56.100 0.019 0.000 0.909 419 R CB 1.662 31.982 30.300 0.034 0.000 1.243 419 R HN 0.445 nan 8.270 nan 0.000 0.455 420 E N 1.266 121.460 120.200 -0.009 0.000 2.480 420 E HA 0.097 4.499 4.350 0.085 0.000 0.258 420 E C 0.446 177.026 176.600 -0.034 0.000 0.984 420 E CA 1.780 58.167 56.400 -0.022 0.000 0.930 420 E CB 0.469 30.159 29.700 -0.017 0.000 0.936 420 E HN 0.847 nan 8.360 nan 0.000 0.466 421 G N 4.127 112.900 108.800 -0.045 0.000 2.199 421 G HA2 -0.322 3.689 3.960 0.085 0.000 0.254 421 G HA3 -0.322 3.689 3.960 0.085 0.000 0.254 421 G C 0.280 175.138 174.900 -0.071 0.000 0.982 421 G CA 0.559 45.623 45.100 -0.060 0.000 0.632 421 G HN 0.536 nan 8.290 nan 0.000 0.529 422 K N 0.120 120.484 120.400 -0.059 0.000 2.172 422 K HA 0.499 4.871 4.320 0.085 0.000 0.276 422 K C 0.381 176.975 176.600 -0.010 0.000 1.013 422 K CA -1.033 55.223 56.287 -0.052 0.000 0.913 422 K CB 0.466 32.943 32.500 -0.038 0.000 1.055 422 K HN 0.144 nan 8.250 nan 0.000 0.461 423 Y N 4.617 124.858 120.300 -0.098 0.000 2.916 423 Y HA -0.173 4.428 4.550 0.085 0.000 0.344 423 Y C 0.886 176.717 175.900 -0.115 0.000 1.282 423 Y CA 0.832 58.898 58.100 -0.057 0.000 1.604 423 Y CB 0.303 38.767 38.460 0.005 0.000 1.207 423 Y HN 0.730 nan 8.280 nan 0.000 0.561 424 N N 3.885 122.241 118.700 -0.573 0.000 2.314 424 N HA -0.024 4.767 4.740 0.085 0.000 0.200 424 N C -0.708 174.413 175.510 -0.647 0.000 1.135 424 N CA 0.250 52.980 53.050 -0.533 0.000 0.835 424 N CB -0.245 37.953 38.487 -0.482 0.000 0.989 424 N HN 0.526 nan 8.380 nan 0.000 0.478 425 H N 0.117 118.846 119.070 -0.569 0.000 2.771 425 H HA 0.630 5.238 4.556 0.085 0.000 0.367 425 H C -0.391 174.949 175.328 0.020 0.000 1.172 425 H CA -1.094 54.769 56.048 -0.309 0.000 1.186 425 H CB 1.613 31.139 29.762 -0.393 0.000 1.790 425 H HN 0.147 nan 8.280 nan 0.000 0.556 426 A N 0.623 123.565 122.820 0.202 0.000 2.363 426 A HA 0.664 5.035 4.320 0.085 0.000 0.270 426 A C -0.127 177.592 177.584 0.225 0.000 1.121 426 A CA 0.492 52.627 52.037 0.163 0.000 0.800 426 A CB -0.043 19.006 19.000 0.082 0.000 1.052 426 A HN 0.863 nan 8.150 nan 0.000 0.493 427 A N 0.383 123.306 122.820 0.172 0.000 2.544 427 A HA 0.575 4.946 4.320 0.085 0.000 0.291 427 A C -0.993 176.580 177.584 -0.019 0.000 1.055 427 A CA 0.107 52.150 52.037 0.009 0.000 0.651 427 A CB 0.438 19.292 19.000 -0.243 0.000 1.296 427 A HN 2.145 nan 8.150 nan 0.000 0.431 428 C N 0.685 119.863 119.300 -0.204 0.000 2.364 428 C HA 0.850 5.361 4.460 0.085 0.000 0.324 428 C C -1.542 173.260 174.990 -0.314 0.000 1.234 428 C CA -0.880 58.072 59.018 -0.110 0.000 1.417 428 C CB -0.877 26.830 27.740 -0.054 0.000 2.101 428 C HN 0.563 nan 8.230 nan 0.000 0.466 429 F N 4.107 123.967 119.950 -0.150 0.000 2.427 429 F HA 0.545 5.123 4.527 0.085 0.000 0.346 429 F C 1.110 176.785 175.800 -0.209 0.000 1.120 429 F CA -0.043 57.829 58.000 -0.214 0.000 1.033 429 F CB 1.498 40.323 39.000 -0.293 0.000 1.126 429 F HN 0.816 nan 8.300 nan 0.000 0.462 430 G N 4.000 112.778 108.800 -0.037 0.000 2.349 430 G HA2 0.450 4.461 3.960 0.085 0.000 0.281 430 G HA3 0.450 4.461 3.960 0.085 0.000 0.281 430 G C 0.312 175.190 174.900 -0.036 0.000 1.182 430 G CA -0.353 44.724 45.100 -0.040 0.000 0.899 430 G HN 0.796 nan 8.290 nan 0.000 0.455 431 L N 0.940 122.149 121.223 -0.023 0.000 2.537 431 L HA 0.354 4.745 4.340 0.085 0.000 0.224 431 L C 0.994 177.893 176.870 0.049 0.000 1.065 431 L CA 0.347 55.181 54.840 -0.011 0.000 0.860 431 L CB 0.399 42.468 42.059 0.017 0.000 1.086 431 L HN 0.485 nan 8.230 nan 0.000 0.482 432 Q N 0.843 120.675 119.800 0.052 0.000 2.268 432 Q HA 0.357 4.748 4.340 0.085 0.000 0.266 432 Q C -2.702 173.316 176.000 0.030 0.000 1.006 432 Q CA -1.801 54.029 55.803 0.046 0.000 0.824 432 Q CB 3.317 32.096 28.738 0.067 0.000 1.306 432 Q HN -0.202 nan 8.270 nan 0.000 0.424 433 P HA 0.169 nan 4.420 nan 0.000 0.277 433 P C -0.256 177.054 177.300 0.017 0.000 1.240 433 P CA -0.177 62.935 63.100 0.019 0.000 0.798 433 P CB 1.061 32.777 31.700 0.026 0.000 0.979 434 G N 0.895 109.704 108.800 0.016 0.000 3.939 434 G HA2 0.351 4.362 3.960 0.085 0.000 0.268 434 G HA3 0.351 4.362 3.960 0.085 0.000 0.268 434 G C 0.567 175.474 174.900 0.011 0.000 1.172 434 G CA -0.347 44.760 45.100 0.012 0.000 1.614 434 G HN 0.737 nan 8.290 nan 0.000 0.639 435 C N -0.559 118.744 119.300 0.005 0.000 2.423 435 C HA 0.803 5.315 4.460 0.085 0.000 0.378 435 C C 0.636 175.600 174.990 -0.042 0.000 1.244 435 C CA -1.593 57.418 59.018 -0.011 0.000 1.978 435 C CB 0.535 28.273 27.740 -0.003 0.000 2.252 435 C HN 0.272 nan 8.230 nan 0.000 0.526 436 L N 1.485 122.656 121.223 -0.086 0.000 2.417 436 L HA 0.410 4.801 4.340 0.085 0.000 0.268 436 L C 0.200 177.012 176.870 -0.096 0.000 1.158 436 L CA -0.087 54.695 54.840 -0.097 0.000 0.819 436 L CB 0.364 42.339 42.059 -0.139 0.000 1.112 436 L HN 0.625 nan 8.230 nan 0.000 0.458 437 L N 2.958 124.141 121.223 -0.067 0.000 2.365 437 L HA 0.342 4.733 4.340 0.085 0.000 0.267 437 L C -1.409 175.426 176.870 -0.058 0.000 1.033 437 L CA -1.677 53.130 54.840 -0.054 0.000 0.802 437 L CB 0.873 42.913 42.059 -0.032 0.000 1.267 437 L HN 0.352 nan 8.230 nan 0.000 0.457 438 P HA -0.233 nan 4.420 nan 0.000 0.217 438 P C 0.678 177.959 177.300 -0.031 0.000 1.162 438 P CA 1.563 64.640 63.100 -0.040 0.000 0.901 438 P CB -0.044 31.640 31.700 -0.026 0.000 0.793 439 D N -2.229 118.157 120.400 -0.024 0.000 2.392 439 D HA -0.039 4.652 4.640 0.085 0.000 0.228 439 D C 1.412 177.701 176.300 -0.019 0.000 1.003 439 D CA 1.202 55.192 54.000 -0.017 0.000 0.917 439 D CB -0.674 40.120 40.800 -0.011 0.000 0.890 439 D HN 0.338 nan 8.370 nan 0.000 0.532 440 G N 0.741 109.523 108.800 -0.030 0.000 2.195 440 G HA2 -0.308 3.704 3.960 0.085 0.000 0.246 440 G HA3 -0.308 3.704 3.960 0.085 0.000 0.246 440 G C 0.462 175.348 174.900 -0.023 0.000 0.984 440 G CA 0.432 45.513 45.100 -0.031 0.000 0.633 440 G HN 0.743 nan 8.290 nan 0.000 0.525 441 S N -0.502 115.187 115.700 -0.018 0.000 2.624 441 S HA 0.679 5.200 4.470 0.085 0.000 0.263 441 S C 0.258 174.845 174.600 -0.022 0.000 1.287 441 S CA 0.041 58.235 58.200 -0.010 0.000 0.990 441 S CB 1.980 65.178 63.200 -0.003 0.000 0.950 441 S HN 0.747 nan 8.310 nan 0.000 0.561 442 R N 0.477 120.964 120.500 -0.022 0.000 2.460 442 R HA 0.472 4.864 4.340 0.085 0.000 0.303 442 R C -0.293 175.993 176.300 -0.024 0.000 0.968 442 R CA -0.770 55.313 56.100 -0.028 0.000 0.889 442 R CB 1.187 31.468 30.300 -0.031 0.000 1.123 442 R HN 0.883 nan 8.270 nan 0.000 0.455 443 M N 5.029 124.617 119.600 -0.020 0.000 2.228 443 M HA 0.148 4.680 4.480 0.085 0.000 0.351 443 M C -0.183 176.112 176.300 -0.008 0.000 1.233 443 M CA 0.173 55.466 55.300 -0.011 0.000 1.129 443 M CB 0.883 33.479 32.600 -0.006 0.000 1.604 443 M HN 0.692 nan 8.290 nan 0.000 0.457 444 M N 4.280 123.877 119.600 -0.005 0.000 2.200 444 M HA 0.152 4.684 4.480 0.085 0.000 0.355 444 M C -0.329 175.980 176.300 0.016 0.000 1.283 444 M CA 0.146 55.445 55.300 -0.002 0.000 1.124 444 M CB 0.890 33.489 32.600 -0.002 0.000 1.625 444 M HN 0.831 nan 8.290 nan 0.000 0.463 445 S N 3.735 119.447 115.700 0.019 0.000 2.565 445 S HA 0.526 5.047 4.470 0.085 0.000 0.276 445 S C -0.875 173.756 174.600 0.051 0.000 1.326 445 S CA -0.692 57.527 58.200 0.031 0.000 1.045 445 S CB 0.484 63.698 63.200 0.024 0.000 0.918 445 S HN 0.604 nan 8.310 nan 0.000 0.505 446 V N 3.222 123.179 119.914 0.073 0.000 2.686 446 V HA 0.854 5.025 4.120 0.085 0.000 0.306 446 V C -0.073 176.101 176.094 0.133 0.000 1.065 446 V CA -0.591 61.784 62.300 0.125 0.000 0.894 446 V CB 1.412 33.354 31.823 0.199 0.000 1.004 446 V HN 1.093 nan 8.190 nan 0.000 0.424 447 A N 3.189 126.115 122.820 0.177 0.000 2.515 447 A HA 1.029 5.400 4.320 0.085 0.000 0.296 447 A C -0.636 177.122 177.584 0.289 0.000 1.094 447 A CA -0.338 51.788 52.037 0.149 0.000 0.718 447 A CB 2.066 21.101 19.000 0.059 0.000 1.307 447 A HN 1.612 nan 8.150 nan 0.000 0.408 448 A N 0.992 123.936 122.820 0.207 0.000 2.335 448 A HA 0.643 5.014 4.320 0.085 0.000 0.304 448 A C -0.964 176.783 177.584 0.272 0.000 1.118 448 A CA -0.310 51.914 52.037 0.311 0.000 0.757 448 A CB 0.725 19.784 19.000 0.098 0.000 1.188 448 A HN 1.317 nan 8.150 nan 0.000 0.460 449 L N 4.128 125.503 121.223 0.254 0.000 2.261 449 L HA 0.590 4.981 4.340 0.085 0.000 0.289 449 L C -1.213 175.747 176.870 0.150 0.000 1.059 449 L CA -0.440 54.496 54.840 0.160 0.000 0.816 449 L CB 0.859 42.979 42.059 0.102 0.000 1.191 449 L HN 0.435 nan 8.230 nan 0.000 0.431 450 V N 6.442 126.459 119.914 0.172 0.000 2.378 450 V HA 0.552 4.724 4.120 0.085 0.000 0.288 450 V C -0.127 175.978 176.094 0.019 0.000 1.016 450 V CA -0.457 61.919 62.300 0.127 0.000 0.840 450 V CB 1.470 33.445 31.823 0.254 0.000 0.994 450 V HN 0.604 nan 8.190 nan 0.000 0.431 451 V N 1.751 121.540 119.914 -0.208 0.000 3.181 451 V HA 0.705 4.876 4.120 0.085 0.000 0.308 451 V C -0.820 175.001 176.094 -0.455 0.000 1.214 451 V CA -0.916 61.141 62.300 -0.405 0.000 1.053 451 V CB 2.874 34.140 31.823 -0.929 0.000 1.069 451 V HN 0.671 nan 8.190 nan 0.000 0.441 452 N N 1.633 120.105 118.700 -0.381 0.000 2.804 452 N HA 0.461 5.252 4.740 0.085 0.000 0.251 452 N C -1.618 173.881 175.510 -0.018 0.000 1.250 452 N CA -0.086 52.855 53.050 -0.181 0.000 0.820 452 N CB 1.015 39.463 38.487 -0.064 0.000 1.156 452 N HN 0.573 nan 8.380 nan 0.000 0.512 453 F N 0.685 120.612 119.950 -0.039 0.000 2.379 453 F HA 0.265 4.843 4.527 0.085 0.000 0.332 453 F C 1.494 177.375 175.800 0.136 0.000 1.096 453 F CA -1.218 56.785 58.000 0.006 0.000 1.105 453 F CB 0.639 39.596 39.000 -0.073 0.000 1.189 453 F HN 0.052 nan 8.300 nan 0.000 0.515 454 S N 2.284 118.168 115.700 0.308 0.000 2.593 454 S HA -0.004 4.517 4.470 0.085 0.000 0.300 454 S C 0.089 174.827 174.600 0.229 0.000 1.267 454 S CA -0.366 57.955 58.200 0.202 0.000 1.065 454 S CB -0.160 63.109 63.200 0.115 0.000 0.807 454 S HN 0.469 nan 8.310 nan 0.000 0.499 455 Q N 3.251 123.128 119.800 0.128 0.000 2.317 455 Q HA 0.320 4.711 4.340 0.085 0.000 0.229 455 Q C -2.131 173.830 176.000 -0.065 0.000 0.984 455 Q CA -1.940 53.835 55.803 -0.048 0.000 0.911 455 Q CB 0.016 28.675 28.738 -0.131 0.000 1.217 455 Q HN 0.417 nan 8.270 nan 0.000 0.501 456 P HA 0.013 nan 4.420 nan 0.000 0.268 456 P C -1.012 176.246 177.300 -0.070 0.000 1.205 456 P CA 0.096 63.142 63.100 -0.090 0.000 0.771 456 P CB 0.612 32.251 31.700 -0.101 0.000 0.858 457 V N -2.115 117.765 119.914 -0.057 0.000 3.012 457 V HA 0.734 4.905 4.120 0.085 0.000 0.307 457 V C 0.282 176.356 176.094 -0.032 0.000 1.166 457 V CA -0.684 61.593 62.300 -0.038 0.000 0.974 457 V CB 1.169 32.977 31.823 -0.026 0.000 1.040 457 V HN 0.741 nan 8.190 nan 0.000 0.428 458 A N 2.150 124.960 122.820 -0.016 0.000 2.748 458 A HA 0.193 4.564 4.320 0.085 0.000 0.297 458 A C 2.192 179.778 177.584 0.004 0.000 1.508 458 A CA 1.907 53.942 52.037 -0.003 0.000 0.799 458 A CB -1.708 17.293 19.000 0.002 0.000 1.011 458 A HN 3.262 nan 8.150 nan 0.000 0.500 459 G N -2.367 106.434 108.800 0.000 0.000 2.179 459 G HA2 -0.286 3.725 3.960 0.085 0.000 0.260 459 G HA3 -0.286 3.725 3.960 0.085 0.000 0.260 459 G C 0.189 175.102 174.900 0.022 0.000 0.977 459 G CA 0.786 45.897 45.100 0.018 0.000 0.641 459 G HN 1.229 nan 8.290 nan 0.000 0.533 460 R N 0.755 121.237 120.500 -0.029 0.000 2.486 460 R HA 0.504 4.895 4.340 0.085 0.000 0.286 460 R C -2.464 173.765 176.300 -0.118 0.000 0.999 460 R CA -1.790 54.242 56.100 -0.113 0.000 0.993 460 R CB 1.141 31.275 30.300 -0.277 0.000 1.084 460 R HN 0.112 nan 8.270 nan 0.000 0.487 461 P HA -0.028 nan 4.420 nan 0.000 0.275 461 P C -0.421 176.832 177.300 -0.079 0.000 1.266 461 P CA -0.430 62.636 63.100 -0.057 0.000 0.793 461 P CB 0.503 32.206 31.700 0.004 0.000 1.074 462 S N 0.318 116.018 115.700 -0.000 0.000 2.515 462 S HA 0.148 4.669 4.470 0.085 0.000 0.285 462 S C -0.430 174.185 174.600 0.024 0.000 1.265 462 S CA -0.212 58.020 58.200 0.052 0.000 1.079 462 S CB -1.260 62.072 63.200 0.220 0.000 0.877 462 S HN 0.188 nan 8.310 nan 0.000 0.493 463 L N 5.493 126.705 121.223 -0.018 0.000 2.325 463 L HA 0.483 4.874 4.340 0.085 0.000 0.281 463 L C -0.907 175.968 176.870 0.007 0.000 1.004 463 L CA -1.015 53.810 54.840 -0.025 0.000 0.823 463 L CB 1.430 43.420 42.059 -0.114 0.000 1.236 463 L HN 0.464 nan 8.230 nan 0.000 0.415 464 L N 4.047 125.281 121.223 0.019 0.000 2.312 464 L HA 0.432 4.823 4.340 0.085 0.000 0.281 464 L C 0.606 177.477 176.870 0.003 0.000 1.070 464 L CA 0.040 54.821 54.840 -0.098 0.000 0.805 464 L CB 1.039 42.918 42.059 -0.299 0.000 1.174 464 L HN 0.474 nan 8.230 nan 0.000 0.434 465 R N 1.232 121.707 120.500 -0.041 0.000 2.726 465 R HA 0.086 4.477 4.340 0.085 0.000 0.272 465 R C 1.310 177.565 176.300 -0.076 0.000 1.097 465 R CA -0.483 55.637 56.100 0.034 0.000 1.198 465 R CB 0.335 30.651 30.300 0.027 0.000 1.114 465 R HN 0.656 nan 8.270 nan 0.000 0.550 466 H N 1.538 120.538 119.070 -0.115 0.000 2.353 466 H HA -0.166 4.441 4.556 0.085 0.000 0.300 466 H C 1.256 176.392 175.328 -0.321 0.000 1.090 466 H CA 2.142 57.995 56.048 -0.324 0.000 1.327 466 H CB 0.278 29.903 29.762 -0.228 0.000 1.383 466 H HN 0.700 nan 8.280 nan 0.000 0.508 467 D N 0.323 120.585 120.400 -0.230 0.000 2.218 467 D HA -0.171 4.520 4.640 0.085 0.000 0.204 467 D C 1.539 177.734 176.300 -0.176 0.000 0.976 467 D CA 0.929 54.813 54.000 -0.195 0.000 0.853 467 D CB -0.392 40.393 40.800 -0.026 0.000 0.939 467 D HN 0.549 nan 8.370 nan 0.000 0.481 468 E N 0.278 120.359 120.200 -0.198 0.000 2.107 468 E HA -0.070 4.331 4.350 0.085 0.000 0.191 468 E C 2.451 178.882 176.600 -0.281 0.000 0.982 468 E CA 0.505 56.775 56.400 -0.218 0.000 0.809 468 E CB 0.242 29.697 29.700 -0.409 0.000 0.756 468 E HN 0.141 nan 8.360 nan 0.000 0.459 469 V N 1.427 121.100 119.914 -0.401 0.000 2.407 469 V HA -0.259 3.912 4.120 0.085 0.000 0.248 469 V C 2.316 178.331 176.094 -0.132 0.000 1.055 469 V CA 1.955 64.066 62.300 -0.315 0.000 1.049 469 V CB -0.425 30.992 31.823 -0.677 0.000 0.662 469 V HN 0.286 nan 8.190 nan 0.000 0.455 470 E N 0.065 120.070 120.200 -0.325 0.000 2.077 470 E HA -0.217 4.184 4.350 0.085 0.000 0.193 470 E C 2.225 178.901 176.600 0.126 0.000 0.989 470 E CA 1.808 58.104 56.400 -0.173 0.000 0.800 470 E CB -0.103 29.456 29.700 -0.236 0.000 0.746 470 E HN 0.602 nan 8.360 nan 0.000 0.452 471 T N 0.192 114.825 114.554 0.132 0.000 2.746 471 T HA -0.171 4.230 4.350 0.085 0.000 0.267 471 T C 1.411 176.350 174.700 0.399 0.000 1.039 471 T CA 1.106 63.342 62.100 0.228 0.000 1.142 471 T CB -0.437 68.562 68.868 0.219 0.000 0.866 471 T HN 0.270 nan 8.240 nan 0.000 0.444 472 Y N 0.940 121.427 120.300 0.311 0.000 2.128 472 Y HA -0.099 4.502 4.550 0.085 0.000 0.284 472 Y C 1.932 177.956 175.900 0.206 0.000 1.154 472 Y CA 0.453 58.739 58.100 0.310 0.000 1.149 472 Y CB -0.883 37.719 38.460 0.238 0.000 0.976 472 Y HN 0.199 nan 8.280 nan 0.000 0.505 473 F N -0.897 119.186 119.950 0.221 0.000 2.186 473 F HA -0.160 4.418 4.527 0.085 0.000 0.299 473 F C 2.695 178.624 175.800 0.215 0.000 1.090 473 F CA 1.895 59.997 58.000 0.170 0.000 1.307 473 F CB -0.997 38.058 39.000 0.092 0.000 1.019 473 F HN 0.233 nan 8.300 nan 0.000 0.489 474 H N -0.329 118.908 119.070 0.278 0.000 2.267 474 H HA -0.166 4.441 4.556 0.085 0.000 0.297 474 H C 2.226 177.593 175.328 0.064 0.000 1.080 474 H CA 2.093 58.220 56.048 0.131 0.000 1.278 474 H CB 0.013 29.863 29.762 0.147 0.000 1.365 474 H HN -0.047 nan 8.280 nan 0.000 0.489 475 E N -0.039 120.414 120.200 0.422 0.000 2.118 475 E HA -0.160 4.241 4.350 0.085 0.000 0.195 475 E C 1.899 178.571 176.600 0.119 0.000 0.992 475 E CA 0.898 57.494 56.400 0.327 0.000 0.804 475 E CB -0.515 29.350 29.700 0.275 0.000 0.741 475 E HN 0.510 nan 8.360 nan 0.000 0.458 476 F N 0.024 119.915 119.950 -0.099 0.000 2.365 476 F HA 0.033 4.612 4.527 0.086 0.000 0.300 476 F C 2.013 177.596 175.800 -0.363 0.000 1.090 476 F CA 1.272 59.024 58.000 -0.413 0.000 1.408 476 F CB -0.232 38.281 39.000 -0.811 0.000 1.060 476 F HN 0.076 nan 8.300 nan 0.000 0.534 477 G N -1.121 107.604 108.800 -0.126 0.000 2.408 477 G HA2 -0.233 3.778 3.960 0.085 0.000 0.217 477 G HA3 -0.233 3.778 3.960 0.085 0.000 0.217 477 G C 1.574 176.357 174.900 -0.195 0.000 1.150 477 G CA 0.746 45.770 45.100 -0.127 0.000 0.776 477 G HN 0.374 nan 8.290 nan 0.000 0.542 478 H N 0.023 119.007 119.070 -0.143 0.000 2.395 478 H HA 0.021 4.628 4.556 0.085 0.000 0.299 478 H C 2.845 178.078 175.328 -0.158 0.000 1.070 478 H CA 1.092 57.081 56.048 -0.097 0.000 1.356 478 H CB -0.346 29.367 29.762 -0.081 0.000 1.401 478 H HN 0.186 nan 8.280 nan 0.000 0.524 479 V N 1.063 120.849 119.914 -0.214 0.000 2.343 479 V HA -0.246 3.925 4.120 0.085 0.000 0.247 479 V C 2.585 178.434 176.094 -0.408 0.000 1.051 479 V CA 1.316 63.371 62.300 -0.408 0.000 1.036 479 V CB -0.372 30.943 31.823 -0.846 0.000 0.654 479 V HN 0.311 nan 8.190 nan 0.000 0.451 480 M N -0.973 118.342 119.600 -0.476 0.000 2.229 480 M HA -0.132 4.399 4.480 0.085 0.000 0.264 480 M C 2.106 178.396 176.300 -0.016 0.000 1.063 480 M CA 1.634 56.796 55.300 -0.230 0.000 1.114 480 M CB -1.375 31.166 32.600 -0.098 0.000 1.387 480 M HN 0.558 nan 8.290 nan 0.000 0.420 481 H N -0.433 118.570 119.070 -0.111 0.000 2.321 481 H HA -0.222 4.385 4.556 0.085 0.000 0.300 481 H C 2.245 177.548 175.328 -0.042 0.000 1.087 481 H CA 1.696 57.706 56.048 -0.062 0.000 1.319 481 H CB 0.341 30.086 29.762 -0.028 0.000 1.379 481 H HN 0.255 nan 8.280 nan 0.000 0.501 482 Q N 1.006 120.803 119.800 -0.005 0.000 2.061 482 Q HA -0.126 4.265 4.340 0.085 0.000 0.204 482 Q C 2.208 178.194 176.000 -0.023 0.000 0.984 482 Q CA 1.972 57.732 55.803 -0.072 0.000 0.846 482 Q CB -0.279 28.419 28.738 -0.068 0.000 0.902 482 Q HN 0.626 nan 8.270 nan 0.000 0.421 483 I N -0.804 119.759 120.570 -0.010 0.000 2.500 483 I HA -0.203 4.018 4.170 0.085 0.000 0.252 483 I C 1.727 177.870 176.117 0.044 0.000 1.142 483 I CA 0.495 61.810 61.300 0.025 0.000 1.451 483 I CB -0.116 37.911 38.000 0.044 0.000 1.093 483 I HN 0.289 nan 8.210 nan 0.000 0.430 484 C N 1.057 120.388 119.300 0.051 0.000 2.563 484 C HA 0.317 4.828 4.460 0.085 0.000 0.268 484 C C 1.575 176.596 174.990 0.052 0.000 1.365 484 C CA -0.733 58.319 59.018 0.057 0.000 1.754 484 C CB -1.092 26.682 27.740 0.056 0.000 1.932 484 C HN 0.392 nan 8.230 nan 0.000 0.536 485 A N 1.415 124.270 122.820 0.059 0.000 2.451 485 A HA 0.415 4.786 4.320 0.085 0.000 0.266 485 A C -0.153 177.455 177.584 0.040 0.000 1.119 485 A CA 0.586 52.657 52.037 0.057 0.000 0.786 485 A CB 0.005 19.022 19.000 0.027 0.000 1.061 485 A HN 0.706 nan 8.150 nan 0.000 0.503 486 Q N 1.588 121.416 119.800 0.047 0.000 2.290 486 Q HA 0.526 4.917 4.340 0.085 0.000 0.269 486 Q C -0.546 175.489 176.000 0.058 0.000 1.016 486 Q CA -0.525 55.302 55.803 0.039 0.000 0.754 486 Q CB 2.281 31.034 28.738 0.025 0.000 1.247 486 Q HN 0.887 nan 8.270 nan 0.000 0.451 487 T N -2.313 112.283 114.554 0.070 0.000 2.865 487 T HA 0.329 4.730 4.350 0.085 0.000 0.294 487 T C 0.048 174.785 174.700 0.062 0.000 1.119 487 T CA -0.711 61.457 62.100 0.113 0.000 1.007 487 T CB 1.451 70.448 68.868 0.214 0.000 1.225 487 T HN 0.194 nan 8.240 nan 0.000 0.515 488 D N -0.254 120.184 120.400 0.063 0.000 2.162 488 D HA 0.171 4.862 4.640 0.085 0.000 0.203 488 D C -0.069 175.984 176.300 -0.411 0.000 0.967 488 D CA 1.105 54.985 54.000 -0.200 0.000 0.840 488 D CB -0.110 40.508 40.800 -0.304 0.000 0.972 488 D HN 0.481 nan 8.370 nan 0.000 0.482 489 F N -0.286 119.715 119.950 0.085 0.000 2.443 489 F HA 0.493 5.074 4.527 0.089 0.000 0.335 489 F C 1.325 177.132 175.800 0.011 0.000 1.104 489 F CA -1.030 56.974 58.000 0.006 0.000 1.013 489 F CB 1.581 40.562 39.000 -0.032 0.000 1.136 489 F HN -0.213 nan 8.300 nan 0.000 0.470 490 A N 3.329 126.228 122.820 0.131 0.000 1.940 490 A HA -0.217 4.154 4.320 0.085 0.000 0.219 490 A C 2.223 179.848 177.584 0.068 0.000 1.176 490 A CA 1.977 54.065 52.037 0.086 0.000 0.631 490 A CB -0.740 18.305 19.000 0.074 0.000 0.814 490 A HN 0.882 nan 8.150 nan 0.000 0.446 491 R N -1.901 118.602 120.500 0.004 0.000 2.328 491 R HA 0.079 4.470 4.340 0.085 0.000 0.207 491 R C 0.744 176.974 176.300 -0.117 0.000 1.056 491 R CA 1.446 57.468 56.100 -0.130 0.000 1.016 491 R CB -0.488 29.636 30.300 -0.294 0.000 0.872 491 R HN 0.498 nan 8.270 nan 0.000 0.471 492 F N 1.074 121.112 119.950 0.148 0.000 2.688 492 F HA 0.244 4.820 4.527 0.082 0.000 0.310 492 F C 0.670 176.511 175.800 0.068 0.000 1.098 492 F CA -1.019 57.042 58.000 0.102 0.000 1.228 492 F CB 0.707 39.792 39.000 0.142 0.000 1.042 492 F HN 0.060 nan 8.300 nan 0.000 0.557 493 S N -0.388 115.433 115.700 0.201 0.000 2.681 493 S HA 0.738 5.260 4.470 0.085 0.000 0.270 493 S C 1.036 175.645 174.600 0.015 0.000 1.209 493 S CA 0.030 58.291 58.200 0.103 0.000 0.988 493 S CB 1.225 64.470 63.200 0.074 0.000 1.006 493 S HN 0.489 nan 8.310 nan 0.000 0.558 494 G N 1.073 109.848 108.800 -0.042 0.000 2.622 494 G HA2 -0.360 3.651 3.960 0.085 0.000 0.307 494 G HA3 -0.360 3.651 3.960 0.085 0.000 0.307 494 G C 0.728 175.407 174.900 -0.369 0.000 1.226 494 G CA 1.322 46.332 45.100 -0.150 0.000 0.997 494 G HN 2.071 nan 8.290 nan 0.000 0.551 495 T N -1.532 112.808 114.554 -0.357 0.000 3.206 495 T HA 0.278 4.679 4.350 0.085 0.000 0.253 495 T C 0.814 175.426 174.700 -0.147 0.000 1.042 495 T CA 0.610 62.446 62.100 -0.440 0.000 0.931 495 T CB -0.089 68.623 68.868 -0.260 0.000 1.029 495 T HN 0.424 nan 8.240 nan 0.000 0.564 496 N N 3.050 121.707 118.700 -0.072 0.000 3.167 496 N HA 0.166 4.957 4.740 0.085 0.000 0.318 496 N C 0.434 175.997 175.510 0.089 0.000 1.268 496 N CA 0.092 53.158 53.050 0.026 0.000 1.197 496 N CB 0.434 38.964 38.487 0.071 0.000 1.464 496 N HN 0.631 nan 8.380 nan 0.000 0.555 497 V N -2.173 117.806 119.914 0.108 0.000 3.284 497 V HA 0.503 4.674 4.120 0.085 0.000 0.309 497 V C 0.416 176.585 176.094 0.126 0.000 1.190 497 V CA -1.160 61.234 62.300 0.157 0.000 1.038 497 V CB 0.890 32.929 31.823 0.359 0.000 1.198 497 V HN -0.015 nan 8.190 nan 0.000 0.465 498 E N 1.054 121.321 120.200 0.110 0.000 2.481 498 E HA 0.142 4.543 4.350 0.085 0.000 0.263 498 E C 0.973 177.630 176.600 0.096 0.000 0.992 498 E CA -0.023 56.423 56.400 0.076 0.000 0.938 498 E CB 0.240 29.980 29.700 0.067 0.000 0.933 498 E HN 0.458 nan 8.360 nan 0.000 0.453 499 R N 2.060 122.557 120.500 -0.005 0.000 2.127 499 R HA -0.128 4.263 4.340 0.085 0.000 0.238 499 R C 0.552 176.811 176.300 -0.068 0.000 1.134 499 R CA 1.300 57.355 56.100 -0.076 0.000 0.975 499 R CB -0.495 29.717 30.300 -0.147 0.000 0.865 499 R HN 0.643 nan 8.270 nan 0.000 0.447 500 D N -1.587 118.787 120.400 -0.043 0.000 2.370 500 D HA -0.047 4.644 4.640 0.085 0.000 0.230 500 D C 0.899 177.339 176.300 0.233 0.000 1.143 500 D CA -0.125 53.836 54.000 -0.066 0.000 0.834 500 D CB -0.461 40.128 40.800 -0.352 0.000 0.944 500 D HN 0.205 nan 8.370 nan 0.000 0.504 501 F N 0.208 120.204 119.950 0.077 0.000 2.834 501 F HA 0.076 4.655 4.527 0.086 0.000 0.332 501 F C 1.848 177.712 175.800 0.107 0.000 1.056 501 F CA -0.026 58.065 58.000 0.151 0.000 1.178 501 F CB 0.519 39.619 39.000 0.168 0.000 1.037 501 F HN -0.083 nan 8.300 nan 0.000 0.580 502 V N -1.403 118.598 119.914 0.145 0.000 2.568 502 V HA -0.135 4.036 4.120 0.085 0.000 0.253 502 V C 1.311 177.458 176.094 0.090 0.000 1.072 502 V CA 1.910 64.285 62.300 0.127 0.000 1.084 502 V CB -0.553 31.317 31.823 0.079 0.000 0.676 502 V HN 0.206 nan 8.190 nan 0.000 0.469 503 E N 0.126 120.321 120.200 -0.009 0.000 2.403 503 E HA 0.229 4.630 4.350 0.085 0.000 0.188 503 E C 1.825 178.269 176.600 -0.259 0.000 1.056 503 E CA 0.269 56.625 56.400 -0.073 0.000 0.892 503 E CB 0.791 30.451 29.700 -0.066 0.000 1.049 503 E HN 0.606 nan 8.360 nan 0.000 0.465 504 V N 1.288 120.999 119.914 -0.339 0.000 2.302 504 V HA -0.117 4.054 4.120 0.085 0.000 0.243 504 V C -0.814 175.092 176.094 -0.314 0.000 1.036 504 V CA 1.445 63.511 62.300 -0.390 0.000 1.020 504 V CB -1.098 30.284 31.823 -0.734 0.000 0.657 504 V HN 0.172 nan 8.190 nan 0.000 0.453 505 P HA -0.123 nan 4.420 nan 0.000 0.218 505 P C 1.995 179.122 177.300 -0.289 0.000 1.149 505 P CA 2.030 64.987 63.100 -0.238 0.000 0.817 505 P CB -0.091 31.397 31.700 -0.354 0.000 0.785 506 S N -0.674 114.715 115.700 -0.518 0.000 2.348 506 S HA -0.149 4.372 4.470 0.085 0.000 0.219 506 S C 2.033 176.351 174.600 -0.471 0.000 1.033 506 S CA 0.726 58.456 58.200 -0.784 0.000 0.974 506 S CB -1.371 60.812 63.200 -1.695 0.000 0.868 506 S HN 0.167 nan 8.310 nan 0.000 0.459 507 Q N 0.328 119.926 119.800 -0.337 0.000 2.224 507 Q HA 0.043 4.434 4.340 0.085 0.000 0.203 507 Q C 2.203 178.136 176.000 -0.110 0.000 0.970 507 Q CA 1.216 56.936 55.803 -0.139 0.000 0.865 507 Q CB -0.325 28.302 28.738 -0.185 0.000 0.922 507 Q HN 0.626 nan 8.270 nan 0.000 0.445 508 M N 0.231 119.747 119.600 -0.140 0.000 2.175 508 M HA -0.137 4.394 4.480 0.085 0.000 0.264 508 M C 1.602 177.850 176.300 -0.086 0.000 1.063 508 M CA 1.030 56.255 55.300 -0.126 0.000 1.119 508 M CB 0.186 32.719 32.600 -0.113 0.000 1.377 508 M HN 0.207 nan 8.290 nan 0.000 0.415 509 L N 0.392 121.570 121.223 -0.075 0.000 2.275 509 L HA -0.135 4.256 4.340 0.085 0.000 0.215 509 L C 1.913 178.907 176.870 0.206 0.000 1.119 509 L CA 1.598 56.444 54.840 0.010 0.000 0.790 509 L CB -1.165 40.896 42.059 0.003 0.000 0.919 509 L HN 0.417 nan 8.230 nan 0.000 0.443 510 E N -0.334 119.935 120.200 0.115 0.000 2.204 510 E HA -0.195 4.206 4.350 0.085 0.000 0.195 510 E C 1.657 178.299 176.600 0.069 0.000 0.990 510 E CA 0.605 57.081 56.400 0.127 0.000 0.821 510 E CB 0.015 29.820 29.700 0.176 0.000 0.750 510 E HN 0.540 nan 8.360 nan 0.000 0.477 511 N N 0.341 118.970 118.700 -0.118 0.000 2.272 511 N HA -0.178 4.613 4.740 0.085 0.000 0.185 511 N C 1.317 176.640 175.510 -0.311 0.000 1.014 511 N CA 0.811 53.604 53.050 -0.428 0.000 0.870 511 N CB -0.131 37.370 38.487 -1.644 0.000 0.975 511 N HN 0.397 nan 8.380 nan 0.000 0.433 512 W N 1.498 122.565 121.300 -0.387 0.000 2.425 512 W HA -0.048 4.663 4.660 0.085 0.000 0.277 512 W C 1.762 178.006 176.519 -0.459 0.000 1.231 512 W CA 0.701 57.847 57.345 -0.331 0.000 1.248 512 W CB 0.045 29.332 29.460 -0.289 0.000 1.117 512 W HN -0.083 nan 8.180 nan 0.000 0.568 513 V N -4.044 115.609 119.914 -0.435 0.000 3.623 513 V HA -0.042 4.129 4.120 0.085 0.000 0.271 513 V C 0.486 176.298 176.094 -0.470 0.000 1.248 513 V CA 0.608 62.552 62.300 -0.592 0.000 1.156 513 V CB -1.165 30.139 31.823 -0.865 0.000 0.870 513 V HN 0.119 nan 8.190 nan 0.000 0.453 514 W N 0.307 121.546 121.300 -0.101 0.000 2.771 514 W HA 0.515 5.226 4.660 0.085 0.000 0.412 514 W C 0.077 176.546 176.519 -0.084 0.000 0.965 514 W CA -0.630 56.683 57.345 -0.055 0.000 2.045 514 W CB 0.432 29.849 29.460 -0.072 0.000 1.176 514 W HN 0.192 nan 8.180 nan 0.000 0.634 515 D N -0.362 120.061 120.400 0.037 0.000 2.344 515 D HA 0.225 4.917 4.640 0.085 0.000 0.239 515 D C 1.033 177.333 176.300 0.001 0.000 1.064 515 D CA -0.261 53.739 54.000 0.001 0.000 0.829 515 D CB 2.069 42.816 40.800 -0.087 0.000 1.129 515 D HN -0.203 nan 8.370 nan 0.000 0.506 516 V N 3.579 123.500 119.914 0.011 0.000 2.250 516 V HA -0.278 3.894 4.120 0.085 0.000 0.250 516 V C 1.439 177.539 176.094 0.010 0.000 1.060 516 V CA 2.029 64.332 62.300 0.005 0.000 1.030 516 V CB -0.395 31.431 31.823 0.005 0.000 0.643 516 V HN 0.658 nan 8.190 nan 0.000 0.445 517 D N -0.441 119.969 120.400 0.016 0.000 2.144 517 D HA -0.084 4.607 4.640 0.085 0.000 0.200 517 D C 2.439 178.773 176.300 0.057 0.000 0.978 517 D CA 1.430 55.449 54.000 0.032 0.000 0.833 517 D CB -0.223 40.596 40.800 0.033 0.000 0.961 517 D HN 0.398 nan 8.370 nan 0.000 0.470 518 S N 0.232 115.970 115.700 0.063 0.000 2.355 518 S HA -0.069 4.452 4.470 0.085 0.000 0.222 518 S C 2.156 176.809 174.600 0.088 0.000 1.031 518 S CA 0.456 58.723 58.200 0.112 0.000 0.993 518 S CB -0.302 62.982 63.200 0.139 0.000 0.859 518 S HN 0.238 nan 8.310 nan 0.000 0.453 519 L N 1.268 122.520 121.223 0.047 0.000 2.081 519 L HA -0.166 4.225 4.340 0.085 0.000 0.212 519 L C 2.759 179.683 176.870 0.090 0.000 1.080 519 L CA 1.156 56.041 54.840 0.074 0.000 0.754 519 L CB -0.435 41.643 42.059 0.032 0.000 0.893 519 L HN 0.238 nan 8.230 nan 0.000 0.433 520 R N 0.319 120.852 120.500 0.055 0.000 2.120 520 R HA -0.155 4.236 4.340 0.085 0.000 0.234 520 R C 1.995 178.339 176.300 0.072 0.000 1.123 520 R CA 1.155 57.282 56.100 0.045 0.000 0.975 520 R CB -0.214 30.108 30.300 0.036 0.000 0.866 520 R HN 0.466 nan 8.270 nan 0.000 0.446 521 K N 0.196 120.654 120.400 0.096 0.000 2.418 521 K HA 0.077 4.448 4.320 0.085 0.000 0.195 521 K C 1.498 178.178 176.600 0.135 0.000 1.035 521 K CA 0.451 56.803 56.287 0.108 0.000 1.003 521 K CB 0.308 32.878 32.500 0.117 0.000 0.793 521 K HN 0.124 nan 8.250 nan 0.000 0.494 522 L N 0.616 121.944 121.223 0.174 0.000 2.693 522 L HA 0.123 4.514 4.340 0.085 0.000 0.235 522 L C 0.187 177.251 176.870 0.323 0.000 1.127 522 L CA -0.358 54.628 54.840 0.244 0.000 0.914 522 L CB 0.423 42.641 42.059 0.265 0.000 1.193 522 L HN 0.006 nan 8.230 nan 0.000 0.502 523 S N -0.388 115.419 115.700 0.178 0.000 2.569 523 S HA 0.741 5.263 4.470 0.085 0.000 0.280 523 S C -0.745 173.872 174.600 0.029 0.000 1.111 523 S CA -0.774 57.448 58.200 0.036 0.000 0.887 523 S CB 3.047 66.114 63.200 -0.223 0.000 1.095 523 S HN 0.133 nan 8.310 nan 0.000 0.476 524 K N 1.009 121.416 120.400 0.012 0.000 2.594 524 K HA 0.099 4.470 4.320 0.085 0.000 0.262 524 K C -1.589 174.968 176.600 -0.072 0.000 0.954 524 K CA -0.425 55.872 56.287 0.016 0.000 0.917 524 K CB 1.019 33.539 32.500 0.032 0.000 1.343 524 K HN 0.965 nan 8.250 nan 0.000 0.428 525 H N 4.516 123.397 119.070 -0.316 0.000 3.094 525 H HA -0.086 4.521 4.556 0.085 0.000 0.320 525 H C 0.685 175.862 175.328 -0.253 0.000 1.000 525 H CA 1.533 57.239 56.048 -0.571 0.000 1.413 525 H CB 0.579 29.800 29.762 -0.901 0.000 1.405 525 H HN 0.696 nan 8.280 nan 0.000 0.586 526 Y N 4.518 124.487 120.300 -0.551 0.000 2.333 526 Y HA -0.127 4.475 4.550 0.085 0.000 0.290 526 Y C 1.563 177.424 175.900 -0.066 0.000 1.144 526 Y CA 0.934 58.888 58.100 -0.242 0.000 1.228 526 Y CB -0.125 38.187 38.460 -0.247 0.000 0.985 526 Y HN 0.376 nan 8.280 nan 0.000 0.542 527 K N 0.623 120.547 120.400 -0.793 0.000 2.015 527 K HA -0.082 4.289 4.320 0.085 0.000 0.215 527 K C 1.684 178.208 176.600 -0.126 0.000 1.027 527 K CA 1.333 57.332 56.287 -0.480 0.000 0.960 527 K CB -0.368 31.888 32.500 -0.406 0.000 0.798 527 K HN 0.472 nan 8.250 nan 0.000 0.447 528 D N -1.340 119.042 120.400 -0.030 0.000 2.323 528 D HA 0.040 4.731 4.640 0.085 0.000 0.209 528 D C 0.931 177.258 176.300 0.045 0.000 0.973 528 D CA 0.808 54.807 54.000 -0.002 0.000 0.874 528 D CB 0.228 41.018 40.800 -0.017 0.000 0.930 528 D HN 0.540 nan 8.370 nan 0.000 0.521 529 G N 0.553 109.390 108.800 0.062 0.000 2.141 529 G HA2 -0.271 3.741 3.960 0.085 0.000 0.242 529 G HA3 -0.271 3.741 3.960 0.085 0.000 0.242 529 G C 0.202 175.138 174.900 0.061 0.000 0.982 529 G CA 0.135 45.259 45.100 0.040 0.000 0.662 529 G HN 0.847 nan 8.290 nan 0.000 0.527 530 H N 0.303 119.392 119.070 0.032 0.000 2.790 530 H HA 0.507 5.114 4.556 0.085 0.000 0.358 530 H C -2.077 173.360 175.328 0.181 0.000 1.103 530 H CA -1.050 55.037 56.048 0.064 0.000 1.426 530 H CB 0.781 30.554 29.762 0.018 0.000 1.424 530 H HN 0.294 nan 8.280 nan 0.000 0.599 531 P HA 0.168 nan 4.420 nan 0.000 0.274 531 P C 0.318 177.648 177.300 0.050 0.000 1.256 531 P CA -0.472 62.677 63.100 0.081 0.000 0.795 531 P CB 1.249 32.983 31.700 0.055 0.000 1.038 532 I N 0.746 121.213 120.570 -0.171 0.000 2.496 532 I HA 0.053 4.274 4.170 0.085 0.000 0.285 532 I C 1.482 177.484 176.117 -0.192 0.000 1.080 532 I CA -0.162 60.855 61.300 -0.471 0.000 1.404 532 I CB 0.416 38.082 38.000 -0.557 0.000 1.403 532 I HN 0.389 nan 8.210 nan 0.000 0.539 533 T N 0.840 115.310 114.554 -0.139 0.000 2.932 533 T HA 0.011 4.412 4.350 0.085 0.000 0.312 533 T C 0.758 175.419 174.700 -0.066 0.000 1.071 533 T CA -0.634 61.434 62.100 -0.053 0.000 1.128 533 T CB 0.811 69.666 68.868 -0.021 0.000 0.984 533 T HN 0.501 nan 8.240 nan 0.000 0.549 534 D N 0.226 120.605 120.400 -0.034 0.000 2.182 534 D HA -0.123 4.568 4.640 0.085 0.000 0.201 534 D C 1.841 178.126 176.300 -0.026 0.000 0.986 534 D CA 1.161 55.145 54.000 -0.028 0.000 0.847 534 D CB -0.193 40.599 40.800 -0.012 0.000 0.942 534 D HN 0.862 nan 8.370 nan 0.000 0.467 535 E N 0.533 120.720 120.200 -0.022 0.000 2.051 535 E HA -0.149 4.252 4.350 0.085 0.000 0.192 535 E C 2.166 178.754 176.600 -0.019 0.000 0.991 535 E CA 0.512 56.904 56.400 -0.013 0.000 0.799 535 E CB -0.213 29.482 29.700 -0.008 0.000 0.748 535 E HN 0.285 nan 8.360 nan 0.000 0.449 536 L N 0.588 121.783 121.223 -0.048 0.000 2.056 536 L HA -0.154 4.237 4.340 0.085 0.000 0.207 536 L C 2.696 179.521 176.870 -0.075 0.000 1.078 536 L CA 0.662 55.461 54.840 -0.069 0.000 0.749 536 L CB -0.181 41.795 42.059 -0.138 0.000 0.901 536 L HN 0.240 nan 8.230 nan 0.000 0.433 537 L N -0.667 120.503 121.223 -0.088 0.000 1.989 537 L HA -0.249 4.142 4.340 0.085 0.000 0.211 537 L C 2.684 179.538 176.870 -0.028 0.000 1.071 537 L CA 1.294 56.089 54.840 -0.075 0.000 0.749 537 L CB -0.630 41.389 42.059 -0.066 0.000 0.890 537 L HN 0.257 nan 8.230 nan 0.000 0.431 538 E N 0.143 120.338 120.200 -0.008 0.000 2.110 538 E HA -0.261 4.140 4.350 0.085 0.000 0.193 538 E C 2.079 178.708 176.600 0.047 0.000 0.988 538 E CA 1.140 57.552 56.400 0.020 0.000 0.804 538 E CB -0.130 29.581 29.700 0.019 0.000 0.745 538 E HN 0.413 nan 8.360 nan 0.000 0.458 539 K N 0.659 121.089 120.400 0.050 0.000 2.057 539 K HA -0.151 4.220 4.320 0.085 0.000 0.206 539 K C 2.275 178.928 176.600 0.089 0.000 1.050 539 K CA 0.725 57.080 56.287 0.112 0.000 0.935 539 K CB -0.139 32.419 32.500 0.096 0.000 0.715 539 K HN 0.003 nan 8.250 nan 0.000 0.439 540 L N 1.348 122.584 121.223 0.022 0.000 1.989 540 L HA -0.174 4.217 4.340 0.085 0.000 0.211 540 L C 2.268 179.198 176.870 0.100 0.000 1.071 540 L CA 1.967 56.805 54.840 -0.004 0.000 0.749 540 L CB -0.712 41.263 42.059 -0.139 0.000 0.890 540 L HN 0.222 nan 8.230 nan 0.000 0.431 541 V N -2.280 117.697 119.914 0.106 0.000 2.427 541 V HA -0.078 4.093 4.120 0.085 0.000 0.248 541 V C 2.475 178.593 176.094 0.040 0.000 1.051 541 V CA 1.412 63.828 62.300 0.194 0.000 1.048 541 V CB -1.891 30.013 31.823 0.135 0.000 0.666 541 V HN 0.453 nan 8.190 nan 0.000 0.456 542 A N 1.495 124.316 122.820 0.002 0.000 2.067 542 A HA -0.098 4.273 4.320 0.085 0.000 0.219 542 A C 2.465 179.833 177.584 -0.359 0.000 1.158 542 A CA 1.986 54.003 52.037 -0.033 0.000 0.661 542 A CB -0.842 18.248 19.000 0.150 0.000 0.801 542 A HN 0.989 nan 8.150 nan 0.000 0.452 543 S N -0.770 114.564 115.700 -0.609 0.000 2.562 543 S HA -0.043 4.478 4.470 0.085 0.000 0.221 543 S C 1.789 176.011 174.600 -0.630 0.000 0.975 543 S CA 0.650 58.118 58.200 -1.221 0.000 0.918 543 S CB -0.393 62.336 63.200 -0.786 0.000 0.772 543 S HN 0.610 nan 8.310 nan 0.000 0.531 544 R N 1.110 121.310 120.500 -0.500 0.000 2.113 544 R HA -0.018 4.373 4.340 0.085 0.000 0.244 544 R C 1.376 177.354 176.300 -0.537 0.000 1.142 544 R CA 1.806 57.435 56.100 -0.784 0.000 0.953 544 R CB -0.464 29.192 30.300 -1.074 0.000 0.860 544 R HN 0.493 nan 8.270 nan 0.000 0.438 545 L N 1.670 122.657 121.223 -0.394 0.000 2.653 545 L HA 0.156 4.547 4.340 0.085 0.000 0.232 545 L C -0.257 176.510 176.870 -0.171 0.000 1.169 545 L CA -0.602 54.081 54.840 -0.262 0.000 0.951 545 L CB 0.768 42.695 42.059 -0.221 0.000 1.181 545 L HN -0.041 nan 8.230 nan 0.000 0.460 546 V N 1.564 121.372 119.914 -0.177 0.000 2.599 546 V HA -0.039 4.132 4.120 0.085 0.000 0.300 546 V C 1.018 177.089 176.094 -0.038 0.000 1.034 546 V CA 0.165 62.431 62.300 -0.057 0.000 1.115 546 V CB 0.245 32.064 31.823 -0.008 0.000 0.934 546 V HN 0.671 nan 8.190 nan 0.000 0.485 547 N N 1.920 120.608 118.700 -0.021 0.000 2.900 547 N HA -0.220 4.571 4.740 0.085 0.000 0.240 547 N C 1.310 176.815 175.510 -0.007 0.000 0.953 547 N CA 1.440 54.490 53.050 -0.000 0.000 0.950 547 N CB -1.296 37.210 38.487 0.031 0.000 1.102 547 N HN 0.874 nan 8.380 nan 0.000 0.593 548 T N -0.805 113.727 114.554 -0.038 0.000 2.737 548 T HA -0.163 4.238 4.350 0.085 0.000 0.269 548 T C 2.008 176.702 174.700 -0.010 0.000 1.040 548 T CA 1.806 63.885 62.100 -0.035 0.000 1.142 548 T CB -0.563 68.254 68.868 -0.085 0.000 0.861 548 T HN 0.584 nan 8.240 nan 0.000 0.456 549 G N 1.743 110.533 108.800 -0.018 0.000 2.545 549 G HA2 -0.177 3.834 3.960 0.085 0.000 0.217 549 G HA3 -0.177 3.834 3.960 0.085 0.000 0.217 549 G C 1.458 176.367 174.900 0.015 0.000 1.218 549 G CA 0.786 45.883 45.100 -0.005 0.000 0.787 549 G HN 0.478 nan 8.290 nan 0.000 0.571 550 L N -0.054 121.180 121.223 0.019 0.000 2.093 550 L HA 0.064 4.455 4.340 0.085 0.000 0.208 550 L C 2.955 179.847 176.870 0.036 0.000 1.085 550 L CA 0.292 55.147 54.840 0.025 0.000 0.755 550 L CB -0.425 41.651 42.059 0.028 0.000 0.904 550 L HN 0.182 nan 8.230 nan 0.000 0.435 551 L N -0.644 120.605 121.223 0.044 0.000 2.046 551 L HA -0.204 4.188 4.340 0.085 0.000 0.208 551 L C 2.625 179.545 176.870 0.084 0.000 1.077 551 L CA 1.599 56.476 54.840 0.063 0.000 0.747 551 L CB -0.850 41.246 42.059 0.062 0.000 0.896 551 L HN 0.269 nan 8.230 nan 0.000 0.432 552 T N 0.027 114.631 114.554 0.083 0.000 2.812 552 T HA -0.100 4.301 4.350 0.085 0.000 0.264 552 T C 1.988 176.744 174.700 0.094 0.000 1.042 552 T CA 0.988 63.156 62.100 0.114 0.000 1.140 552 T CB -0.205 68.739 68.868 0.126 0.000 0.870 552 T HN 0.167 nan 8.240 nan 0.000 0.445 553 L N 0.641 121.901 121.223 0.061 0.000 2.083 553 L HA -0.088 4.304 4.340 0.085 0.000 0.209 553 L C 2.858 179.755 176.870 0.045 0.000 1.083 553 L CA 1.307 56.173 54.840 0.043 0.000 0.752 553 L CB -0.472 41.601 42.059 0.024 0.000 0.899 553 L HN 0.177 nan 8.230 nan 0.000 0.433 554 R N -0.269 120.262 120.500 0.051 0.000 2.081 554 R HA -0.179 4.213 4.340 0.085 0.000 0.235 554 R C 2.308 178.656 176.300 0.081 0.000 1.131 554 R CA 1.252 57.383 56.100 0.050 0.000 0.960 554 R CB 0.011 30.341 30.300 0.051 0.000 0.856 554 R HN 0.334 nan 8.270 nan 0.000 0.436 555 Q N 0.224 120.104 119.800 0.132 0.000 2.297 555 Q HA -0.079 4.312 4.340 0.085 0.000 0.204 555 Q C 2.092 178.222 176.000 0.218 0.000 0.962 555 Q CA 1.023 56.961 55.803 0.225 0.000 0.879 555 Q CB 0.069 28.967 28.738 0.266 0.000 0.947 555 Q HN 0.506 nan 8.270 nan 0.000 0.462 556 I N -0.364 120.284 120.570 0.130 0.000 2.353 556 I HA -0.187 4.034 4.170 0.085 0.000 0.248 556 I C 2.169 178.297 176.117 0.019 0.000 1.119 556 I CA 0.489 61.842 61.300 0.088 0.000 1.417 556 I CB -0.177 37.841 38.000 0.031 0.000 1.078 556 I HN -0.050 nan 8.210 nan 0.000 0.421 557 V N 1.328 121.241 119.914 -0.001 0.000 2.287 557 V HA -0.286 3.885 4.120 0.085 0.000 0.248 557 V C 2.417 178.477 176.094 -0.056 0.000 1.053 557 V CA 1.775 64.046 62.300 -0.049 0.000 1.027 557 V CB -0.462 31.351 31.823 -0.017 0.000 0.646 557 V HN 0.369 nan 8.190 nan 0.000 0.447 558 L N -0.443 120.747 121.223 -0.054 0.000 2.083 558 L HA -0.144 4.247 4.340 0.085 0.000 0.209 558 L C 2.605 179.432 176.870 -0.070 0.000 1.083 558 L CA 1.562 56.277 54.840 -0.209 0.000 0.752 558 L CB -0.564 41.177 42.059 -0.529 0.000 0.899 558 L HN 0.305 nan 8.230 nan 0.000 0.433 559 S N -0.529 115.237 115.700 0.110 0.000 2.382 559 S HA -0.121 4.400 4.470 0.085 0.000 0.228 559 S C 1.959 176.642 174.600 0.138 0.000 1.027 559 S CA 0.988 59.365 58.200 0.295 0.000 0.991 559 S CB -0.042 63.392 63.200 0.390 0.000 0.823 559 S HN 0.294 nan 8.310 nan 0.000 0.469 560 K N 1.052 121.404 120.400 -0.079 0.000 2.062 560 K HA 0.076 4.447 4.320 0.085 0.000 0.205 560 K C 2.145 178.612 176.600 -0.221 0.000 1.051 560 K CA 0.691 56.773 56.287 -0.343 0.000 0.941 560 K CB -0.902 30.997 32.500 -1.002 0.000 0.719 560 K HN 0.254 nan 8.250 nan 0.000 0.440 561 V N 2.080 121.953 119.914 -0.069 0.000 2.287 561 V HA -0.276 3.895 4.120 0.085 0.000 0.248 561 V C 2.235 178.472 176.094 0.238 0.000 1.053 561 V CA 2.234 64.644 62.300 0.182 0.000 1.027 561 V CB -0.529 31.445 31.823 0.251 0.000 0.646 561 V HN 0.336 nan 8.190 nan 0.000 0.447 562 D N -0.624 119.955 120.400 0.298 0.000 2.087 562 D HA -0.217 4.474 4.640 0.085 0.000 0.192 562 D C 2.250 178.779 176.300 0.382 0.000 0.993 562 D CA 1.508 55.738 54.000 0.382 0.000 0.828 562 D CB -0.130 40.931 40.800 0.435 0.000 0.968 562 D HN 0.292 nan 8.370 nan 0.000 0.448 563 Q N 0.094 120.060 119.800 0.275 0.000 2.096 563 Q HA -0.136 4.255 4.340 0.085 0.000 0.204 563 Q C 2.338 178.462 176.000 0.206 0.000 0.982 563 Q CA 1.238 57.176 55.803 0.225 0.000 0.850 563 Q CB -0.914 27.899 28.738 0.125 0.000 0.901 563 Q HN 0.280 nan 8.270 nan 0.000 0.422 564 S N 0.260 116.066 115.700 0.177 0.000 2.368 564 S HA -0.055 4.467 4.470 0.085 0.000 0.225 564 S C 1.906 176.565 174.600 0.099 0.000 1.030 564 S CA 0.642 58.944 58.200 0.170 0.000 0.999 564 S CB -0.112 63.244 63.200 0.260 0.000 0.844 564 S HN 0.344 nan 8.310 nan 0.000 0.459 565 L N 0.052 121.299 121.223 0.040 0.000 2.456 565 L HA -0.020 4.371 4.340 0.085 0.000 0.224 565 L C 0.964 177.569 176.870 -0.443 0.000 1.148 565 L CA 1.036 55.758 54.840 -0.197 0.000 0.825 565 L CB -0.444 41.442 42.059 -0.288 0.000 0.937 565 L HN 0.441 nan 8.230 nan 0.000 0.450 566 H N -3.026 116.109 119.070 0.109 0.000 2.662 566 H HA 0.150 4.757 4.556 0.084 0.000 0.268 566 H C 1.290 176.698 175.328 0.133 0.000 1.152 566 H CA 0.087 56.219 56.048 0.139 0.000 1.072 566 H CB 0.681 30.579 29.762 0.227 0.000 1.660 566 H HN -0.046 nan 8.280 nan 0.000 0.584 567 T N -0.659 113.989 114.554 0.156 0.000 3.019 567 T HA 0.062 4.463 4.350 0.085 0.000 0.247 567 T C 0.438 175.193 174.700 0.091 0.000 0.992 567 T CA 0.108 62.286 62.100 0.129 0.000 1.036 567 T CB 0.349 69.290 68.868 0.121 0.000 1.063 567 T HN 0.149 nan 8.240 nan 0.000 0.476 568 N N 1.407 120.148 118.700 0.068 0.000 2.664 568 N HA 0.418 5.209 4.740 0.085 0.000 0.257 568 N C -0.468 175.054 175.510 0.021 0.000 1.108 568 N CA -0.155 52.923 53.050 0.047 0.000 0.822 568 N CB 1.341 39.859 38.487 0.052 0.000 1.199 568 N HN 0.185 nan 8.380 nan 0.000 0.529 569 A N 1.997 124.823 122.820 0.008 0.000 2.324 569 A HA 0.091 4.462 4.320 0.085 0.000 0.240 569 A C 1.288 178.865 177.584 -0.012 0.000 1.347 569 A CA 0.569 52.594 52.037 -0.019 0.000 1.036 569 A CB -0.658 18.324 19.000 -0.030 0.000 0.917 569 A HN 0.615 nan 8.150 nan 0.000 0.519 570 T N -4.313 110.242 114.554 0.001 0.000 2.975 570 T HA 0.389 4.790 4.350 0.085 0.000 0.261 570 T C 0.183 174.887 174.700 0.007 0.000 0.984 570 T CA -0.250 61.852 62.100 0.003 0.000 0.911 570 T CB -0.223 68.649 68.868 0.008 0.000 1.127 570 T HN 0.029 nan 8.240 nan 0.000 0.514 571 L N 2.862 124.091 121.223 0.011 0.000 2.439 571 L HA 0.423 4.814 4.340 0.085 0.000 0.261 571 L C 0.408 177.289 176.870 0.019 0.000 1.153 571 L CA -0.502 54.349 54.840 0.017 0.000 0.808 571 L CB 0.636 42.712 42.059 0.028 0.000 1.126 571 L HN 0.284 nan 8.230 nan 0.000 0.460 572 D N 1.361 121.774 120.400 0.023 0.000 2.325 572 D HA 0.161 4.852 4.640 0.085 0.000 0.251 572 D C 0.763 177.093 176.300 0.050 0.000 1.196 572 D CA 0.207 54.225 54.000 0.030 0.000 0.866 572 D CB 1.615 42.431 40.800 0.026 0.000 1.101 572 D HN 0.637 nan 8.370 nan 0.000 0.476 573 A N 4.913 127.767 122.820 0.056 0.000 1.870 573 A HA -0.253 4.119 4.320 0.085 0.000 0.219 573 A C 2.226 179.881 177.584 0.118 0.000 1.224 573 A CA 2.560 54.648 52.037 0.085 0.000 0.650 573 A CB -1.079 17.966 19.000 0.076 0.000 0.836 573 A HN 0.751 nan 8.150 nan 0.000 0.454 574 A N -1.126 121.752 122.820 0.097 0.000 1.927 574 A HA -0.201 4.170 4.320 0.085 0.000 0.220 574 A C 2.524 180.194 177.584 0.143 0.000 1.185 574 A CA 2.716 54.828 52.037 0.125 0.000 0.639 574 A CB -1.081 17.970 19.000 0.086 0.000 0.820 574 A HN 0.766 nan 8.150 nan 0.000 0.451 575 S N -1.067 114.684 115.700 0.084 0.000 2.383 575 S HA -0.173 4.348 4.470 0.085 0.000 0.227 575 S C 2.004 176.615 174.600 0.020 0.000 1.026 575 S CA 1.695 59.920 58.200 0.041 0.000 0.981 575 S CB -0.288 62.921 63.200 0.016 0.000 0.818 575 S HN 0.591 nan 8.310 nan 0.000 0.472 576 E N 0.039 120.273 120.200 0.057 0.000 2.077 576 E HA -0.139 4.262 4.350 0.085 0.000 0.193 576 E C 1.743 178.416 176.600 0.122 0.000 0.989 576 E CA 1.459 57.887 56.400 0.046 0.000 0.800 576 E CB -0.597 29.196 29.700 0.155 0.000 0.746 576 E HN 0.727 nan 8.360 nan 0.000 0.452 577 Y N 0.383 120.732 120.300 0.082 0.000 2.128 577 Y HA -0.201 4.400 4.550 0.085 0.000 0.284 577 Y C 2.038 177.963 175.900 0.041 0.000 1.154 577 Y CA 1.979 60.132 58.100 0.087 0.000 1.149 577 Y CB -0.822 37.650 38.460 0.019 0.000 0.976 577 Y HN 0.094 nan 8.280 nan 0.000 0.505 578 A N 0.677 123.455 122.820 -0.071 0.000 1.933 578 A HA -0.200 4.171 4.320 0.085 0.000 0.218 578 A C 2.374 179.848 177.584 -0.183 0.000 1.175 578 A CA 1.842 53.780 52.037 -0.165 0.000 0.628 578 A CB -0.796 18.184 19.000 -0.033 0.000 0.814 578 A HN 0.498 nan 8.150 nan 0.000 0.444 579 K N -1.231 119.058 120.400 -0.185 0.000 2.009 579 K HA -0.209 4.162 4.320 0.085 0.000 0.210 579 K C 1.813 178.249 176.600 -0.273 0.000 1.049 579 K CA 2.016 58.144 56.287 -0.265 0.000 0.929 579 K CB -0.403 31.854 32.500 -0.404 0.000 0.714 579 K HN 0.513 nan 8.250 nan 0.000 0.440 580 Y N 0.667 120.904 120.300 -0.105 0.000 2.352 580 Y HA -0.190 4.411 4.550 0.085 0.000 0.292 580 Y C 2.681 178.484 175.900 -0.162 0.000 1.136 580 Y CA 0.628 58.666 58.100 -0.104 0.000 1.227 580 Y CB -0.759 37.660 38.460 -0.069 0.000 0.991 580 Y HN 0.193 nan 8.280 nan 0.000 0.545 581 C N -0.238 118.971 119.300 -0.151 0.000 2.432 581 C HA -0.214 4.297 4.460 0.085 0.000 0.277 581 C C 2.908 177.825 174.990 -0.123 0.000 1.249 581 C CA 2.069 60.955 59.018 -0.220 0.000 1.725 581 C CB -1.320 26.177 27.740 -0.405 0.000 2.028 581 C HN 0.720 nan 8.230 nan 0.000 0.477 582 T N -0.882 113.603 114.554 -0.115 0.000 2.812 582 T HA -0.131 4.271 4.350 0.085 0.000 0.264 582 T C 1.437 176.106 174.700 -0.051 0.000 1.042 582 T CA 1.546 63.597 62.100 -0.081 0.000 1.140 582 T CB -0.444 68.376 68.868 -0.080 0.000 0.870 582 T HN 0.639 nan 8.240 nan 0.000 0.445 583 E N 0.537 120.714 120.200 -0.038 0.000 2.158 583 E HA 0.139 4.541 4.350 0.085 0.000 0.191 583 E C 1.988 178.600 176.600 0.021 0.000 0.982 583 E CA 0.836 57.232 56.400 -0.007 0.000 0.823 583 E CB -0.044 29.656 29.700 -0.001 0.000 0.766 583 E HN 0.578 nan 8.360 nan 0.000 0.468 584 I N -0.535 120.055 120.570 0.034 0.000 3.300 584 I HA -0.053 4.168 4.170 0.085 0.000 0.279 584 I C 1.831 177.952 176.117 0.007 0.000 1.172 584 I CA 0.128 61.449 61.300 0.034 0.000 1.431 584 I CB 0.287 38.324 38.000 0.062 0.000 1.240 584 I HN 0.069 nan 8.210 nan 0.000 0.453 585 L N 1.021 122.236 121.223 -0.013 0.000 2.354 585 L HA 0.335 4.726 4.340 0.085 0.000 0.212 585 L C 1.413 178.265 176.870 -0.030 0.000 1.091 585 L CA 1.461 56.287 54.840 -0.023 0.000 0.828 585 L CB -0.234 41.801 42.059 -0.041 0.000 0.973 585 L HN 0.381 nan 8.230 nan 0.000 0.461 586 G N -0.364 108.411 108.800 -0.040 0.000 2.143 586 G HA2 -0.200 3.811 3.960 0.085 0.000 0.248 586 G HA3 -0.200 3.811 3.960 0.085 0.000 0.248 586 G C -0.049 174.815 174.900 -0.061 0.000 0.991 586 G CA 0.256 45.329 45.100 -0.044 0.000 0.689 586 G HN 0.311 nan 8.290 nan 0.000 0.522 587 V N 0.404 120.273 119.914 -0.076 0.000 2.482 587 V HA 0.776 4.947 4.120 0.085 0.000 0.295 587 V C 0.640 176.669 176.094 -0.110 0.000 1.026 587 V CA -0.586 61.657 62.300 -0.095 0.000 0.856 587 V CB 1.464 33.236 31.823 -0.085 0.000 1.001 587 V HN 1.172 nan 8.190 nan 0.000 0.424 588 A N 3.902 126.657 122.820 -0.109 0.000 2.445 588 A HA 0.752 5.124 4.320 0.085 0.000 0.242 588 A C 0.687 178.229 177.584 -0.070 0.000 1.075 588 A CA 0.364 52.344 52.037 -0.095 0.000 0.777 588 A CB 0.477 19.434 19.000 -0.071 0.000 1.013 588 A HN 1.438 nan 8.150 nan 0.000 0.493 589 A N 1.972 124.750 122.820 -0.070 0.000 2.401 589 A HA 0.524 4.895 4.320 0.085 0.000 0.259 589 A C 0.683 178.332 177.584 0.108 0.000 1.103 589 A CA -0.092 51.960 52.037 0.025 0.000 0.789 589 A CB -0.284 18.721 19.000 0.008 0.000 1.035 589 A HN 0.854 nan 8.150 nan 0.000 0.491 590 T N 5.103 119.779 114.554 0.204 0.000 2.817 590 T HA 0.303 4.704 4.350 0.085 0.000 0.295 590 T C -2.327 172.486 174.700 0.188 0.000 0.958 590 T CA -0.079 62.176 62.100 0.258 0.000 1.157 590 T CB 0.020 69.124 68.868 0.393 0.000 0.898 590 T HN 0.437 nan 8.240 nan 0.000 0.536 591 P HA 0.188 nan 4.420 nan 0.000 0.262 591 P C 1.079 178.438 177.300 0.100 0.000 1.182 591 P CA 0.861 64.024 63.100 0.105 0.000 0.761 591 P CB 0.319 32.071 31.700 0.086 0.000 0.795 592 G N 1.589 110.438 108.800 0.082 0.000 2.258 592 G HA2 -0.225 3.786 3.960 0.085 0.000 0.233 592 G HA3 -0.225 3.786 3.960 0.085 0.000 0.233 592 G C 0.447 175.393 174.900 0.077 0.000 1.006 592 G CA 0.282 45.423 45.100 0.068 0.000 0.620 592 G HN 0.786 nan 8.290 nan 0.000 0.511 593 T N -1.473 113.147 114.554 0.109 0.000 2.824 593 T HA 0.594 4.995 4.350 0.085 0.000 0.277 593 T C 0.021 174.769 174.700 0.081 0.000 0.975 593 T CA 0.156 62.327 62.100 0.118 0.000 0.966 593 T CB 1.980 70.965 68.868 0.195 0.000 1.054 593 T HN 0.450 nan 8.240 nan 0.000 0.533 594 N N 1.150 119.877 118.700 0.044 0.000 2.722 594 N HA 0.083 4.874 4.740 0.085 0.000 0.242 594 N C 0.699 176.151 175.510 -0.098 0.000 1.398 594 N CA -0.433 52.612 53.050 -0.008 0.000 0.755 594 N CB 0.980 39.474 38.487 0.012 0.000 1.268 594 N HN 0.708 nan 8.380 nan 0.000 0.522 595 M N 2.269 121.684 119.600 -0.309 0.000 2.073 595 M HA -0.015 4.516 4.480 0.085 0.000 0.258 595 M C -1.150 174.958 176.300 -0.320 0.000 1.070 595 M CA 2.112 57.088 55.300 -0.541 0.000 1.103 595 M CB -1.498 30.251 32.600 -1.419 0.000 1.321 595 M HN 0.158 nan 8.290 nan 0.000 0.405 596 P HA -0.111 nan 4.420 nan 0.000 0.217 596 P C 1.046 178.483 177.300 0.228 0.000 1.148 596 P CA 2.270 65.398 63.100 0.046 0.000 0.828 596 P CB -0.399 31.339 31.700 0.065 0.000 0.783 597 A N -0.911 121.988 122.820 0.132 0.000 2.172 597 A HA -0.103 4.268 4.320 0.085 0.000 0.216 597 A C 1.917 179.545 177.584 0.074 0.000 1.154 597 A CA 1.982 54.118 52.037 0.166 0.000 0.701 597 A CB -1.419 17.600 19.000 0.032 0.000 0.789 597 A HN 0.353 nan 8.150 nan 0.000 0.465 598 T N -5.286 109.322 114.554 0.091 0.000 3.044 598 T HA 0.259 4.660 4.350 0.085 0.000 0.260 598 T C 0.408 175.267 174.700 0.265 0.000 1.019 598 T CA -0.358 61.755 62.100 0.021 0.000 0.921 598 T CB -0.565 68.222 68.868 -0.135 0.000 1.053 598 T HN 0.303 nan 8.240 nan 0.000 0.533 599 F N 2.924 122.992 119.950 0.197 0.000 2.685 599 F HA 0.381 4.960 4.527 0.087 0.000 0.349 599 F C 1.689 177.663 175.800 0.290 0.000 1.294 599 F CA -0.958 57.151 58.000 0.181 0.000 1.201 599 F CB -0.124 38.920 39.000 0.073 0.000 1.615 599 F HN 0.315 nan 8.300 nan 0.000 0.674 600 G N 1.867 110.962 108.800 0.492 0.000 2.532 600 G HA2 -0.388 3.624 3.960 0.085 0.000 0.222 600 G HA3 -0.388 3.624 3.960 0.085 0.000 0.222 600 G C 1.290 176.213 174.900 0.038 0.000 1.102 600 G CA 1.065 46.370 45.100 0.341 0.000 0.742 600 G HN 0.755 nan 8.290 nan 0.000 0.577 601 H N 0.158 119.079 119.070 -0.247 0.000 2.457 601 H HA 0.107 4.715 4.556 0.086 0.000 0.294 601 H C 2.388 177.346 175.328 -0.617 0.000 1.064 601 H CA 1.131 56.866 56.048 -0.522 0.000 1.330 601 H CB -0.088 29.274 29.762 -0.667 0.000 1.395 601 H HN 0.336 nan 8.280 nan 0.000 0.541 602 L N -0.324 120.447 121.223 -0.754 0.000 1.961 602 L HA -0.087 4.305 4.340 0.085 0.000 0.209 602 L C 2.759 179.339 176.870 -0.482 0.000 1.075 602 L CA 0.948 55.446 54.840 -0.570 0.000 0.749 602 L CB -1.032 40.732 42.059 -0.491 0.000 0.890 602 L HN 0.404 nan 8.230 nan 0.000 0.433 603 A N 0.286 122.722 122.820 -0.640 0.000 1.952 603 A HA -0.033 4.338 4.320 0.085 0.000 0.206 603 A C 1.362 178.790 177.584 -0.259 0.000 1.213 603 A CA 1.370 53.120 52.037 -0.479 0.000 0.690 603 A CB -1.569 17.092 19.000 -0.564 0.000 0.854 603 A HN 0.384 nan 8.150 nan 0.000 0.485 604 G N -2.944 105.761 108.800 -0.160 0.000 2.503 604 G HA2 0.566 4.577 3.960 0.085 0.000 0.257 604 G HA3 0.566 4.577 3.960 0.085 0.000 0.257 604 G C 0.585 175.399 174.900 -0.143 0.000 1.214 604 G CA 0.348 45.395 45.100 -0.088 0.000 0.839 604 G HN 1.990 nan 8.290 nan 0.000 0.559 605 G N -0.006 108.749 108.800 -0.074 0.000 2.501 605 G HA2 0.081 4.092 3.960 0.085 0.000 0.213 605 G HA3 0.081 4.092 3.960 0.085 0.000 0.213 605 G C -0.347 174.556 174.900 0.006 0.000 1.158 605 G CA 0.153 45.226 45.100 -0.045 0.000 1.079 605 G HN 1.728 nan 8.290 nan 0.000 0.586 606 Y N 1.819 121.959 120.300 -0.267 0.000 2.638 606 Y HA 0.552 5.152 4.550 0.084 0.000 0.367 606 Y C 0.212 175.881 175.900 -0.386 0.000 1.001 606 Y CA -1.831 56.136 58.100 -0.223 0.000 1.133 606 Y CB -0.548 37.870 38.460 -0.070 0.000 1.199 606 Y HN 0.560 nan 8.280 nan 0.000 0.642 607 D N 0.276 120.415 120.400 -0.434 0.000 2.424 607 D HA 0.309 5.000 4.640 0.085 0.000 0.244 607 D C 1.165 177.254 176.300 -0.353 0.000 1.134 607 D CA 0.690 54.409 54.000 -0.468 0.000 0.881 607 D CB 1.658 42.222 40.800 -0.394 0.000 1.191 607 D HN 0.840 nan 8.370 nan 0.000 0.445 608 G N 2.608 111.291 108.800 -0.195 0.000 2.176 608 G HA2 -0.301 3.710 3.960 0.085 0.000 0.253 608 G HA3 -0.301 3.710 3.960 0.085 0.000 0.253 608 G C 0.593 175.621 174.900 0.213 0.000 0.979 608 G CA 0.301 45.374 45.100 -0.045 0.000 0.641 608 G HN 0.584 nan 8.290 nan 0.000 0.530 609 Q N -1.263 118.702 119.800 0.275 0.000 2.139 609 Q HA 0.335 4.726 4.340 0.085 0.000 0.219 609 Q C 1.352 177.491 176.000 0.233 0.000 0.805 609 Q CA -0.458 55.495 55.803 0.249 0.000 1.024 609 Q CB 0.450 29.316 28.738 0.213 0.000 1.163 609 Q HN 0.513 nan 8.270 nan 0.000 0.485 610 Y N 0.886 121.384 120.300 0.329 0.000 2.256 610 Y HA -0.334 4.267 4.550 0.084 0.000 0.288 610 Y C 2.080 178.030 175.900 0.084 0.000 1.155 610 Y CA 1.953 60.097 58.100 0.073 0.000 1.203 610 Y CB 0.018 38.466 38.460 -0.020 0.000 0.980 610 Y HN 0.357 nan 8.280 nan 0.000 0.530 611 Y N -1.950 118.517 120.300 0.278 0.000 2.403 611 Y HA 0.043 4.643 4.550 0.084 0.000 0.291 611 Y C 2.241 178.246 175.900 0.175 0.000 1.143 611 Y CA 0.604 58.858 58.100 0.257 0.000 1.257 611 Y CB -1.297 37.302 38.460 0.232 0.000 0.984 611 Y HN -0.013 nan 8.280 nan 0.000 0.550 612 G N 0.389 108.576 108.800 -1.023 0.000 2.505 612 G HA2 -0.397 3.614 3.960 0.085 0.000 0.220 612 G HA3 -0.397 3.614 3.960 0.085 0.000 0.220 612 G C 1.452 176.265 174.900 -0.145 0.000 1.145 612 G CA 1.348 46.029 45.100 -0.698 0.000 0.761 612 G HN 0.565 nan 8.290 nan 0.000 0.571 613 Y N 0.169 120.362 120.300 -0.179 0.000 2.145 613 Y HA -0.038 4.563 4.550 0.085 0.000 0.286 613 Y C 2.616 178.520 175.900 0.006 0.000 1.145 613 Y CA 1.423 59.480 58.100 -0.073 0.000 1.148 613 Y CB -0.314 38.082 38.460 -0.106 0.000 0.981 613 Y HN 0.153 nan 8.280 nan 0.000 0.507 614 L N -0.442 120.891 121.223 0.183 0.000 2.093 614 L HA -0.210 4.181 4.340 0.085 0.000 0.208 614 L C 2.281 179.226 176.870 0.124 0.000 1.085 614 L CA 1.635 56.586 54.840 0.185 0.000 0.755 614 L CB -1.056 41.202 42.059 0.333 0.000 0.904 614 L HN 0.557 nan 8.230 nan 0.000 0.435 615 W N -0.503 120.719 121.300 -0.130 0.000 2.358 615 W HA -0.201 4.512 4.660 0.089 0.000 0.303 615 W C 2.239 178.394 176.519 -0.607 0.000 1.208 615 W CA 1.609 58.617 57.345 -0.561 0.000 1.274 615 W CB -0.339 28.793 29.460 -0.546 0.000 1.138 615 W HN 0.171 nan 8.180 nan 0.000 0.515 616 S N 0.329 115.920 115.700 -0.183 0.000 2.356 616 S HA -0.246 4.275 4.470 0.085 0.000 0.223 616 S C 1.641 176.094 174.600 -0.245 0.000 1.032 616 S CA 1.713 59.782 58.200 -0.219 0.000 1.005 616 S CB -0.553 62.523 63.200 -0.207 0.000 0.867 616 S HN 0.380 nan 8.310 nan 0.000 0.449 617 E N 0.699 120.742 120.200 -0.262 0.000 2.118 617 E HA -0.149 4.252 4.350 0.085 0.000 0.195 617 E C 1.887 178.432 176.600 -0.092 0.000 0.992 617 E CA 1.148 57.456 56.400 -0.153 0.000 0.804 617 E CB -0.028 29.626 29.700 -0.078 0.000 0.741 617 E HN 0.280 nan 8.360 nan 0.000 0.458 618 V N 0.600 120.320 119.914 -0.323 0.000 2.295 618 V HA -0.250 3.921 4.120 0.085 0.000 0.246 618 V C 2.088 178.218 176.094 0.061 0.000 1.049 618 V CA 1.832 63.947 62.300 -0.310 0.000 1.024 618 V CB -0.625 30.899 31.823 -0.497 0.000 0.648 618 V HN 0.366 nan 8.190 nan 0.000 0.447 619 F N 1.044 120.880 119.950 -0.189 0.000 2.102 619 F HA -0.221 4.357 4.527 0.084 0.000 0.298 619 F C 2.855 178.658 175.800 0.006 0.000 1.105 619 F CA 1.238 59.179 58.000 -0.098 0.000 1.239 619 F CB -0.424 38.499 39.000 -0.128 0.000 0.991 619 F HN 0.348 nan 8.300 nan 0.000 0.474 620 S N 0.169 115.975 115.700 0.177 0.000 2.382 620 S HA -0.269 4.252 4.470 0.085 0.000 0.228 620 S C 1.737 176.459 174.600 0.203 0.000 1.027 620 S CA 1.124 59.396 58.200 0.119 0.000 0.991 620 S CB -0.589 62.609 63.200 -0.004 0.000 0.823 620 S HN 0.293 nan 8.310 nan 0.000 0.469 621 M N 2.332 122.081 119.600 0.248 0.000 2.229 621 M HA -0.001 4.531 4.480 0.085 0.000 0.264 621 M C 1.613 178.179 176.300 0.443 0.000 1.063 621 M CA 1.446 56.977 55.300 0.385 0.000 1.114 621 M CB -0.741 32.139 32.600 0.466 0.000 1.387 621 M HN 0.279 nan 8.290 nan 0.000 0.420 622 D N -0.662 119.939 120.400 0.336 0.000 2.117 622 D HA -0.130 4.562 4.640 0.085 0.000 0.198 622 D C 1.885 178.358 176.300 0.289 0.000 0.982 622 D CA 1.337 55.506 54.000 0.282 0.000 0.828 622 D CB 0.009 40.937 40.800 0.214 0.000 0.967 622 D HN 0.375 nan 8.370 nan 0.000 0.464 623 M N -0.932 118.868 119.600 0.332 0.000 2.156 623 M HA -0.072 4.459 4.480 0.085 0.000 0.264 623 M C 2.020 178.621 176.300 0.503 0.000 1.067 623 M CA 0.718 56.294 55.300 0.461 0.000 1.131 623 M CB -0.294 32.594 32.600 0.480 0.000 1.368 623 M HN 0.007 nan 8.290 nan 0.000 0.416 624 F N 0.881 120.962 119.950 0.217 0.000 2.102 624 F HA -0.234 4.344 4.527 0.085 0.000 0.298 624 F C 2.571 178.354 175.800 -0.029 0.000 1.105 624 F CA 1.774 59.806 58.000 0.055 0.000 1.239 624 F CB -0.451 38.398 39.000 -0.252 0.000 0.991 624 F HN 0.174 nan 8.300 nan 0.000 0.474 625 H N -1.084 118.013 119.070 0.045 0.000 2.343 625 H HA -0.005 4.602 4.556 0.085 0.000 0.303 625 H C 2.421 177.706 175.328 -0.071 0.000 1.068 625 H CA 1.553 57.546 56.048 -0.092 0.000 1.359 625 H CB -0.697 29.082 29.762 0.027 0.000 1.402 625 H HN 0.217 nan 8.280 nan 0.000 0.515 626 S N -0.132 115.648 115.700 0.133 0.000 2.419 626 S HA -0.100 4.421 4.470 0.085 0.000 0.233 626 S C 2.255 176.835 174.600 -0.033 0.000 1.016 626 S CA 1.127 59.356 58.200 0.048 0.000 0.974 626 S CB 0.015 63.254 63.200 0.065 0.000 0.786 626 S HN 0.411 nan 8.310 nan 0.000 0.492 627 C N -0.821 118.464 119.300 -0.025 0.000 2.403 627 C HA 0.393 4.904 4.460 0.085 0.000 0.380 627 C C 2.018 176.870 174.990 -0.230 0.000 1.490 627 C CA -0.576 58.346 59.018 -0.160 0.000 2.457 627 C CB -1.309 26.300 27.740 -0.219 0.000 2.341 627 C HN 0.492 nan 8.230 nan 0.000 0.626 628 F N 1.987 121.851 119.950 -0.144 0.000 2.113 628 F HA -0.063 4.515 4.527 0.085 0.000 0.297 628 F C 2.403 177.959 175.800 -0.407 0.000 1.103 628 F CA 1.496 59.346 58.000 -0.249 0.000 1.248 628 F CB -0.378 38.432 39.000 -0.317 0.000 0.999 628 F HN 0.015 nan 8.300 nan 0.000 0.475 629 K N 0.820 120.968 120.400 -0.420 0.000 2.057 629 K HA -0.182 4.189 4.320 0.085 0.000 0.207 629 K C 2.019 178.510 176.600 -0.182 0.000 1.049 629 K CA 1.250 57.312 56.287 -0.374 0.000 0.931 629 K CB -0.326 31.955 32.500 -0.364 0.000 0.714 629 K HN 0.077 nan 8.250 nan 0.000 0.440 630 K N 0.329 120.643 120.400 -0.144 0.000 2.057 630 K HA -0.132 4.239 4.320 0.085 0.000 0.207 630 K C 1.025 177.567 176.600 -0.098 0.000 1.049 630 K CA 1.447 57.672 56.287 -0.103 0.000 0.931 630 K CB 0.151 32.593 32.500 -0.097 0.000 0.714 630 K HN 0.058 nan 8.250 nan 0.000 0.440 631 E N -0.372 119.759 120.200 -0.115 0.000 2.452 631 E HA 0.113 4.514 4.350 0.085 0.000 0.197 631 E C 0.199 176.765 176.600 -0.057 0.000 1.022 631 E CA 0.603 56.947 56.400 -0.092 0.000 0.890 631 E CB 1.049 30.676 29.700 -0.122 0.000 0.918 631 E HN 0.470 nan 8.360 nan 0.000 0.496 632 G N 2.237 111.002 108.800 -0.057 0.000 3.367 632 G HA2 -0.161 3.850 3.960 0.085 0.000 0.686 632 G HA3 -0.161 3.850 3.960 0.085 0.000 0.686 632 G C 0.474 175.404 174.900 0.050 0.000 1.146 632 G CA -0.195 44.894 45.100 -0.018 0.000 0.913 632 G HN 0.210 nan 8.290 nan 0.000 0.554 633 I N -0.336 120.254 120.570 0.033 0.000 3.010 633 I HA 0.129 4.350 4.170 0.085 0.000 0.271 633 I C 1.377 177.768 176.117 0.457 0.000 1.293 633 I CA 0.941 62.349 61.300 0.179 0.000 1.452 633 I CB -0.191 37.655 38.000 -0.257 0.000 1.082 633 I HN 0.356 nan 8.210 nan 0.000 0.484 634 M N 1.120 120.897 119.600 0.295 0.000 2.484 634 M HA 0.233 4.764 4.480 0.085 0.000 0.307 634 M C 0.185 176.606 176.300 0.202 0.000 1.149 634 M CA -0.176 55.298 55.300 0.290 0.000 0.972 634 M CB -1.006 31.722 32.600 0.213 0.000 1.400 634 M HN 0.275 nan 8.290 nan 0.000 0.508 635 N N 3.849 122.658 118.700 0.181 0.000 2.431 635 N HA 0.048 4.839 4.740 0.085 0.000 0.265 635 N C -1.749 173.829 175.510 0.114 0.000 1.184 635 N CA -0.822 52.289 53.050 0.101 0.000 0.943 635 N CB 1.662 40.171 38.487 0.036 0.000 1.080 635 N HN 0.070 nan 8.380 nan 0.000 0.477 636 P HA -0.118 nan 4.420 nan 0.000 0.218 636 P C 0.548 177.896 177.300 0.080 0.000 1.148 636 P CA 1.153 64.308 63.100 0.092 0.000 0.822 636 P CB 0.587 32.328 31.700 0.067 0.000 0.784 637 E N 0.245 120.472 120.200 0.046 0.000 2.012 637 E HA -0.120 4.282 4.350 0.085 0.000 0.197 637 E C 2.224 178.840 176.600 0.028 0.000 1.007 637 E CA 1.040 57.456 56.400 0.027 0.000 0.816 637 E CB -1.552 28.144 29.700 -0.006 0.000 0.762 637 E HN 0.008 nan 8.360 nan 0.000 0.451 638 V N 0.564 120.458 119.914 -0.033 0.000 2.407 638 V HA -0.207 3.964 4.120 0.085 0.000 0.248 638 V C 2.205 178.324 176.094 0.042 0.000 1.055 638 V CA 1.939 64.167 62.300 -0.120 0.000 1.049 638 V CB -1.176 30.384 31.823 -0.438 0.000 0.662 638 V HN 0.426 nan 8.190 nan 0.000 0.455 639 G N -0.559 108.336 108.800 0.158 0.000 2.446 639 G HA2 -0.351 3.661 3.960 0.085 0.000 0.217 639 G HA3 -0.351 3.661 3.960 0.085 0.000 0.217 639 G C 1.565 176.651 174.900 0.310 0.000 1.168 639 G CA 1.348 46.658 45.100 0.352 0.000 0.771 639 G HN 0.441 nan 8.290 nan 0.000 0.551 640 M N 0.490 120.211 119.600 0.201 0.000 2.229 640 M HA 0.176 4.707 4.480 0.085 0.000 0.264 640 M C 2.305 178.715 176.300 0.183 0.000 1.063 640 M CA 1.286 56.684 55.300 0.163 0.000 1.114 640 M CB -0.176 32.489 32.600 0.108 0.000 1.387 640 M HN 0.120 nan 8.290 nan 0.000 0.420 641 K N -1.465 119.074 120.400 0.232 0.000 2.057 641 K HA -0.195 4.176 4.320 0.085 0.000 0.206 641 K C 2.040 178.878 176.600 0.397 0.000 1.050 641 K CA 1.707 58.177 56.287 0.305 0.000 0.935 641 K CB -0.552 32.138 32.500 0.318 0.000 0.715 641 K HN 0.418 nan 8.250 nan 0.000 0.439 642 Y N 2.076 122.533 120.300 0.262 0.000 2.145 642 Y HA -0.231 4.370 4.550 0.086 0.000 0.286 642 Y C 2.477 178.353 175.900 -0.041 0.000 1.145 642 Y CA 1.605 59.635 58.100 -0.117 0.000 1.148 642 Y CB -0.206 38.290 38.460 0.059 0.000 0.981 642 Y HN -0.085 nan 8.280 nan 0.000 0.507 643 R N 0.253 120.761 120.500 0.013 0.000 2.080 643 R HA -0.201 4.190 4.340 0.085 0.000 0.236 643 R C 1.841 178.094 176.300 -0.077 0.000 1.137 643 R CA 2.083 58.136 56.100 -0.078 0.000 0.943 643 R CB -0.385 29.962 30.300 0.078 0.000 0.846 643 R HN 0.365 nan 8.270 nan 0.000 0.431 644 N N 0.337 119.044 118.700 0.010 0.000 2.216 644 N HA -0.082 4.709 4.740 0.085 0.000 0.183 644 N C 1.751 177.271 175.510 0.016 0.000 1.017 644 N CA 1.128 54.193 53.050 0.025 0.000 0.861 644 N CB -0.004 38.518 38.487 0.059 0.000 0.986 644 N HN 0.305 nan 8.380 nan 0.000 0.428 645 L N -0.348 120.892 121.223 0.029 0.000 2.354 645 L HA 0.159 4.550 4.340 0.085 0.000 0.212 645 L C 1.438 178.293 176.870 -0.026 0.000 1.091 645 L CA 0.357 55.228 54.840 0.051 0.000 0.828 645 L CB 0.180 42.356 42.059 0.195 0.000 0.973 645 L HN 0.040 nan 8.230 nan 0.000 0.461 646 I N -0.825 119.630 120.570 -0.192 0.000 3.300 646 I HA -0.005 4.216 4.170 0.085 0.000 0.279 646 I C 2.099 178.057 176.117 -0.265 0.000 1.172 646 I CA 0.911 62.054 61.300 -0.262 0.000 1.431 646 I CB -0.244 37.418 38.000 -0.564 0.000 1.240 646 I HN 0.144 nan 8.210 nan 0.000 0.453 647 L N 0.416 121.428 121.223 -0.352 0.000 2.121 647 L HA 0.002 4.393 4.340 0.085 0.000 0.200 647 L C 2.500 179.396 176.870 0.044 0.000 1.077 647 L CA 0.700 55.439 54.840 -0.168 0.000 0.766 647 L CB -0.626 41.300 42.059 -0.222 0.000 0.931 647 L HN 0.097 nan 8.230 nan 0.000 0.452 648 K N 0.845 121.244 120.400 -0.002 0.000 2.089 648 K HA -0.174 4.197 4.320 0.085 0.000 0.210 648 K C -0.724 175.909 176.600 0.054 0.000 1.048 648 K CA 1.753 58.061 56.287 0.034 0.000 0.926 648 K CB -0.703 31.811 32.500 0.022 0.000 0.714 648 K HN 0.213 nan 8.250 nan 0.000 0.448 649 P HA 0.020 nan 4.420 nan 0.000 0.237 649 P C 0.900 178.247 177.300 0.078 0.000 1.178 649 P CA 1.149 64.281 63.100 0.052 0.000 0.766 649 P CB -0.002 31.713 31.700 0.025 0.000 0.876 650 G N 0.933 109.809 108.800 0.128 0.000 2.627 650 G HA2 -0.294 3.717 3.960 0.085 0.000 0.312 650 G HA3 -0.294 3.717 3.960 0.085 0.000 0.312 650 G C 1.016 175.990 174.900 0.123 0.000 1.299 650 G CA 0.218 45.401 45.100 0.139 0.000 0.989 650 G HN 0.411 nan 8.290 nan 0.000 0.547 651 G N -0.312 108.553 108.800 0.109 0.000 3.314 651 G HA2 0.401 4.413 3.960 0.085 0.000 0.238 651 G HA3 0.401 4.413 3.960 0.085 0.000 0.238 651 G C 1.583 176.386 174.900 -0.162 0.000 1.184 651 G CA 1.437 46.569 45.100 0.055 0.000 0.806 651 G HN 1.729 nan 8.290 nan 0.000 0.536 652 S N -0.489 115.129 115.700 -0.137 0.000 2.607 652 S HA 0.334 4.855 4.470 0.085 0.000 0.224 652 S C 0.601 175.018 174.600 -0.305 0.000 0.969 652 S CA -0.101 57.900 58.200 -0.332 0.000 0.927 652 S CB -0.037 63.138 63.200 -0.043 0.000 0.772 652 S HN 0.168 nan 8.310 nan 0.000 0.533 653 L N 0.961 122.055 121.223 -0.215 0.000 2.393 653 L HA 0.518 4.909 4.340 0.085 0.000 0.260 653 L C -1.072 175.676 176.870 -0.203 0.000 1.002 653 L CA -1.120 53.612 54.840 -0.180 0.000 0.818 653 L CB 1.647 43.639 42.059 -0.111 0.000 1.369 653 L HN -0.046 nan 8.230 nan 0.000 0.412 654 D N 1.001 121.286 120.400 -0.191 0.000 2.399 654 D HA 0.076 4.767 4.640 0.085 0.000 0.241 654 D C 0.977 177.087 176.300 -0.317 0.000 1.133 654 D CA 0.441 54.315 54.000 -0.210 0.000 0.890 654 D CB 1.744 42.457 40.800 -0.145 0.000 1.201 654 D HN 0.760 nan 8.370 nan 0.000 0.432 655 G N 1.789 110.294 108.800 -0.491 0.000 2.476 655 G HA2 -0.275 3.736 3.960 0.085 0.000 0.218 655 G HA3 -0.275 3.736 3.960 0.085 0.000 0.218 655 G C 1.392 175.967 174.900 -0.541 0.000 1.164 655 G CA 0.573 45.057 45.100 -1.027 0.000 0.768 655 G HN 0.342 nan 8.290 nan 0.000 0.560 656 M N 0.997 120.459 119.600 -0.231 0.000 2.159 656 M HA -0.019 4.512 4.480 0.085 0.000 0.263 656 M C 1.996 178.229 176.300 -0.111 0.000 1.063 656 M CA 0.912 56.140 55.300 -0.121 0.000 1.110 656 M CB -0.960 31.629 32.600 -0.018 0.000 1.374 656 M HN 0.168 nan 8.290 nan 0.000 0.411 657 D N -0.013 120.319 120.400 -0.112 0.000 2.117 657 D HA -0.108 4.583 4.640 0.085 0.000 0.198 657 D C 2.113 178.382 176.300 -0.052 0.000 0.982 657 D CA 1.197 55.153 54.000 -0.073 0.000 0.828 657 D CB -0.131 40.624 40.800 -0.075 0.000 0.967 657 D HN 0.375 nan 8.370 nan 0.000 0.464 658 M N 0.218 119.770 119.600 -0.079 0.000 2.117 658 M HA -0.114 4.417 4.480 0.085 0.000 0.262 658 M C 2.412 178.755 176.300 0.072 0.000 1.065 658 M CA 0.969 56.264 55.300 -0.007 0.000 1.114 658 M CB -0.219 32.368 32.600 -0.022 0.000 1.361 658 M HN -0.009 nan 8.290 nan 0.000 0.408 659 L N -0.187 121.064 121.223 0.047 0.000 2.012 659 L HA -0.271 4.121 4.340 0.085 0.000 0.210 659 L C 2.682 179.600 176.870 0.080 0.000 1.073 659 L CA 1.631 56.520 54.840 0.081 0.000 0.748 659 L CB -0.698 41.305 42.059 -0.094 0.000 0.891 659 L HN 0.431 nan 8.230 nan 0.000 0.431 660 Q N 0.368 120.173 119.800 0.008 0.000 2.124 660 Q HA -0.220 4.171 4.340 0.085 0.000 0.202 660 Q C 1.859 177.877 176.000 0.030 0.000 0.977 660 Q CA 1.909 57.715 55.803 0.004 0.000 0.850 660 Q CB -0.030 28.697 28.738 -0.019 0.000 0.901 660 Q HN 0.575 nan 8.270 nan 0.000 0.429 661 N N -0.707 118.025 118.700 0.053 0.000 2.120 661 N HA -0.160 4.631 4.740 0.085 0.000 0.188 661 N C 1.542 177.114 175.510 0.104 0.000 1.024 661 N CA 1.095 54.183 53.050 0.062 0.000 0.852 661 N CB -0.167 38.361 38.487 0.069 0.000 1.003 661 N HN 0.197 nan 8.380 nan 0.000 0.424 662 F N 1.630 121.587 119.950 0.011 0.000 2.128 662 F HA 0.037 4.615 4.527 0.085 0.000 0.295 662 F C 1.788 177.597 175.800 0.015 0.000 1.100 662 F CA 1.065 59.084 58.000 0.031 0.000 1.260 662 F CB -0.205 38.845 39.000 0.083 0.000 1.009 662 F HN -0.078 nan 8.300 nan 0.000 0.476 663 L N -0.378 120.838 121.223 -0.010 0.000 2.240 663 L HA -0.070 4.321 4.340 0.085 0.000 0.211 663 L C 0.906 177.706 176.870 -0.116 0.000 1.106 663 L CA 0.838 55.611 54.840 -0.111 0.000 0.793 663 L CB -0.578 41.485 42.059 0.008 0.000 0.927 663 L HN 0.228 nan 8.230 nan 0.000 0.446 664 Q N 0.224 119.980 119.800 -0.073 0.000 2.503 664 Q HA -0.215 4.176 4.340 0.085 0.000 0.267 664 Q C -0.220 175.753 176.000 -0.044 0.000 1.030 664 Q CA 0.741 56.508 55.803 -0.061 0.000 1.041 664 Q CB -1.351 27.336 28.738 -0.085 0.000 1.406 664 Q HN 0.737 nan 8.270 nan 0.000 0.524 665 R N -2.554 117.927 120.500 -0.033 0.000 2.829 665 R HA 0.459 4.850 4.340 0.085 0.000 0.283 665 R C -1.513 174.774 176.300 -0.022 0.000 1.013 665 R CA -1.169 54.916 56.100 -0.024 0.000 0.848 665 R CB 0.709 30.995 30.300 -0.023 0.000 1.291 665 R HN -0.160 nan 8.270 nan 0.000 0.496 666 E N 1.217 121.407 120.200 -0.017 0.000 2.390 666 E HA 0.298 4.700 4.350 0.085 0.000 0.261 666 E C -2.068 174.512 176.600 -0.033 0.000 1.076 666 E CA -1.657 54.728 56.400 -0.025 0.000 0.905 666 E CB 0.709 30.407 29.700 -0.004 0.000 0.984 666 E HN 0.367 nan 8.360 nan 0.000 0.427 667 P HA 0.210 nan 4.420 nan 0.000 0.276 667 P C -0.816 176.492 177.300 0.013 0.000 1.261 667 P CA -0.337 62.711 63.100 -0.087 0.000 0.800 667 P CB 0.634 32.116 31.700 -0.364 0.000 1.066 668 N N -1.935 116.809 118.700 0.073 0.000 3.046 668 N HA 0.113 4.905 4.740 0.085 0.000 0.243 668 N C -0.479 175.113 175.510 0.136 0.000 1.452 668 N CA -0.830 52.281 53.050 0.102 0.000 0.882 668 N CB 0.378 38.910 38.487 0.074 0.000 1.425 668 N HN 0.375 nan 8.380 nan 0.000 0.517 669 Q N -0.560 119.320 119.800 0.134 0.000 2.280 669 Q HA 0.223 4.614 4.340 0.085 0.000 0.202 669 Q C 0.204 176.313 176.000 0.182 0.000 0.903 669 Q CA -0.325 55.581 55.803 0.172 0.000 0.948 669 Q CB 0.131 28.965 28.738 0.160 0.000 1.058 669 Q HN 0.416 nan 8.270 nan 0.000 0.493 670 K N 1.541 122.013 120.400 0.120 0.000 2.009 670 K HA -0.163 4.208 4.320 0.085 0.000 0.210 670 K C 2.127 178.763 176.600 0.060 0.000 1.049 670 K CA 1.594 57.927 56.287 0.076 0.000 0.929 670 K CB -0.550 31.979 32.500 0.047 0.000 0.714 670 K HN 0.355 nan 8.250 nan 0.000 0.440 671 A N 1.383 124.251 122.820 0.080 0.000 1.892 671 A HA -0.212 4.159 4.320 0.085 0.000 0.218 671 A C 2.150 179.740 177.584 0.010 0.000 1.188 671 A CA 1.713 53.765 52.037 0.024 0.000 0.631 671 A CB -0.881 18.214 19.000 0.158 0.000 0.822 671 A HN 0.341 nan 8.150 nan 0.000 0.447 672 F N 0.557 120.516 119.950 0.014 0.000 2.095 672 F HA -0.151 4.428 4.527 0.087 0.000 0.298 672 F C 1.938 177.720 175.800 -0.030 0.000 1.104 672 F CA 1.838 59.847 58.000 0.015 0.000 1.232 672 F CB -0.270 38.760 39.000 0.050 0.000 0.987 672 F HN 0.149 nan 8.300 nan 0.000 0.475 673 L N -0.711 120.530 121.223 0.030 0.000 2.046 673 L HA -0.252 4.139 4.340 0.085 0.000 0.208 673 L C 2.596 179.367 176.870 -0.166 0.000 1.077 673 L CA 0.923 55.712 54.840 -0.084 0.000 0.747 673 L CB -0.696 41.384 42.059 0.036 0.000 0.896 673 L HN 0.213 nan 8.230 nan 0.000 0.432 674 M N 0.118 119.632 119.600 -0.144 0.000 2.108 674 M HA -0.188 4.343 4.480 0.085 0.000 0.261 674 M C 2.772 178.939 176.300 -0.222 0.000 1.066 674 M CA 2.280 57.480 55.300 -0.166 0.000 1.107 674 M CB -0.970 31.528 32.600 -0.171 0.000 1.356 674 M HN 0.455 nan 8.290 nan 0.000 0.406 675 S N -0.028 115.490 115.700 -0.303 0.000 2.370 675 S HA -0.176 4.345 4.470 0.085 0.000 0.226 675 S C 1.887 176.328 174.600 -0.266 0.000 1.033 675 S CA 1.174 59.200 58.200 -0.290 0.000 1.011 675 S CB -0.433 62.594 63.200 -0.288 0.000 0.852 675 S HN 0.321 nan 8.310 nan 0.000 0.457 676 R N 1.346 121.647 120.500 -0.331 0.000 2.307 676 R HA 0.312 4.703 4.340 0.085 0.000 0.199 676 R C 1.678 177.872 176.300 -0.177 0.000 1.000 676 R CA 0.488 56.424 56.100 -0.274 0.000 1.023 676 R CB -0.938 29.160 30.300 -0.336 0.000 0.908 676 R HN 0.724 nan 8.270 nan 0.000 0.473 677 G N -0.209 108.497 108.800 -0.157 0.000 2.143 677 G HA2 -0.274 3.737 3.960 0.085 0.000 0.248 677 G HA3 -0.274 3.737 3.960 0.085 0.000 0.248 677 G C 0.076 174.923 174.900 -0.088 0.000 0.991 677 G CA 0.229 45.264 45.100 -0.108 0.000 0.689 677 G HN 0.221 nan 8.290 nan 0.000 0.522 678 L N 0.000 121.165 121.223 -0.096 0.000 2.949 678 L HA 0.000 4.391 4.340 0.085 0.000 0.249 678 L CA 0.000 54.802 54.840 -0.064 0.000 0.813 678 L CB 0.000 42.023 42.059 -0.060 0.000 0.961 678 L HN 0.000 nan 8.230 nan 0.000 0.502