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 2qqp_1_A DATA FIRST_RESID 73 DATA SEQUENCE QSIDPSEGAV GWFYKYMDPA GAVESGKALG EFSKVPDGLL RYSVDAEQRP DATA SEQUENCE IVTIECPTVS ESDLPLDGKL WRVSFISFPA FRLNFIALAN INNEALTLET DATA SEQUENCE RNTFIQTLNN ITNWRDLGTG QWAQFAPGWY YSIYVLPNTY AMAEIGDRTD DATA SEQUENCE SVTQFRKVYK GITFEFNAPT LIDQGWWVGA HIPVKPQSET IPAAERFSAG DATA SEQUENCE SMTVSASNAI FQPSNTVARI VWSITPLPVA TVALTTGTGG TNNTSGKFFS DATA SEQUENCE VEIDGNVNSV WTFTAPASIL AEGEPFAEEG DTTSFSMTTI TADTVVYSVS DATA SEQUENCE SSLTGSSVIV RGVTKGSGVS ITPVTVGIDT EAVNRLSIEM PALTTEEVTT DATA SEQUENCE NVPKYEQFLC KESGGAYIVH YKMNNPVFEM TGEENFGGFQ FHYPGYDPEN DATA SEQUENCE NALGLRGIVD TFENNFSSAV VHFWGISQSA TIVCKTYDGW EGTTNAGSTV DATA SEQUENCE GQFAHTGAEE EDEVVQLANR LQMELTGVYQ ADDN 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 73 Q HA 0.000 nan 4.340 nan 0.000 0.214 73 Q C 0.000 175.999 176.000 -0.002 0.000 1.003 73 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 73 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 74 S N 2.532 118.231 115.700 -0.001 0.000 2.527 74 S HA 0.173 4.643 4.470 0.000 0.000 0.222 74 S C 0.716 175.312 174.600 -0.006 0.000 0.985 74 S CA 0.585 58.783 58.200 -0.002 0.000 0.921 74 S CB -0.206 62.995 63.200 0.001 0.000 0.772 74 S HN 0.711 nan 8.310 nan 0.000 0.529 75 I N 1.853 122.418 120.570 -0.008 0.000 5.825 75 I HA -0.148 4.022 4.170 0.000 0.000 0.126 75 I C -0.301 175.807 176.117 -0.015 0.000 1.817 75 I CA 0.202 61.493 61.300 -0.015 0.000 2.037 75 I CB -2.409 35.578 38.000 -0.021 0.000 3.397 75 I HN 0.357 nan 8.210 nan 0.000 0.169 76 D N 5.268 125.664 120.400 -0.007 0.000 2.343 76 D HA 0.438 5.078 4.640 0.000 0.000 0.255 76 D C -1.960 174.340 176.300 0.001 0.000 1.187 76 D CA -0.681 53.319 54.000 -0.000 0.000 0.875 76 D CB 1.334 42.137 40.800 0.006 0.000 1.136 76 D HN 0.200 nan 8.370 nan 0.000 0.469 77 P HA 0.194 nan 4.420 nan 0.000 0.304 77 P C -0.607 176.716 177.300 0.038 0.000 1.381 77 P CA -0.728 62.380 63.100 0.012 0.000 0.995 77 P CB 1.576 33.273 31.700 -0.005 0.000 1.194 78 S N 1.207 116.935 115.700 0.047 0.000 2.558 78 S HA -0.077 4.393 4.470 0.000 0.000 0.293 78 S C 1.295 175.953 174.600 0.095 0.000 1.292 78 S CA 0.191 58.429 58.200 0.065 0.000 1.063 78 S CB 0.076 63.316 63.200 0.066 0.000 0.831 78 S HN 0.463 nan 8.310 nan 0.000 0.499 79 E N 3.990 124.248 120.200 0.096 0.000 2.267 79 E HA -0.013 4.337 4.350 0.000 0.000 0.197 79 E C 1.766 178.470 176.600 0.174 0.000 0.998 79 E CA 1.349 57.825 56.400 0.126 0.000 0.830 79 E CB -0.763 29.000 29.700 0.105 0.000 0.751 79 E HN 0.672 nan 8.360 nan 0.000 0.491 80 G N 0.527 109.423 108.800 0.161 0.000 2.494 80 G HA2 0.028 3.988 3.960 0.000 0.000 0.216 80 G HA3 0.028 3.988 3.960 0.000 0.000 0.216 80 G C 1.632 176.701 174.900 0.282 0.000 1.140 80 G CA 0.290 45.510 45.100 0.201 0.000 0.801 80 G HN 0.431 nan 8.290 nan 0.000 0.536 81 A N 0.300 123.262 122.820 0.237 0.000 2.014 81 A HA 0.202 4.522 4.320 0.000 0.000 0.218 81 A C 2.476 180.300 177.584 0.401 0.000 1.163 81 A CA 1.399 53.607 52.037 0.285 0.000 0.652 81 A CB -0.272 18.819 19.000 0.151 0.000 0.808 81 A HN 0.202 nan 8.150 nan 0.000 0.449 82 V N -0.121 119.976 119.914 0.304 0.000 2.379 82 V HA -0.119 4.002 4.120 0.000 0.000 0.245 82 V C 2.829 179.185 176.094 0.436 0.000 1.044 82 V CA 1.678 64.155 62.300 0.296 0.000 1.036 82 V CB -1.515 30.464 31.823 0.259 0.000 0.664 82 V HN 0.560 nan 8.190 nan 0.000 0.453 83 G N -0.740 108.330 108.800 0.451 0.000 2.514 83 G HA2 -0.372 3.588 3.960 0.000 0.000 0.217 83 G HA3 -0.372 3.588 3.960 0.000 0.000 0.217 83 G C 1.340 176.529 174.900 0.483 0.000 1.198 83 G CA 1.123 46.522 45.100 0.497 0.000 0.780 83 G HN 0.632 nan 8.290 nan 0.000 0.565 84 W N 0.899 122.465 121.300 0.444 0.000 2.304 84 W HA -0.174 4.486 4.660 0.000 0.000 0.315 84 W C 2.108 178.868 176.519 0.401 0.000 1.233 84 W CA 1.849 59.464 57.345 0.450 0.000 1.261 84 W CB -0.640 29.039 29.460 0.365 0.000 1.150 84 W HN 0.135 nan 8.180 nan 0.000 0.494 85 F N 0.357 120.341 119.950 0.056 0.000 2.008 85 F HA -0.335 4.192 4.527 0.000 0.000 0.297 85 F C 2.305 177.837 175.800 -0.447 0.000 1.156 85 F CA 2.643 60.450 58.000 -0.322 0.000 1.191 85 F CB -1.551 37.287 39.000 -0.270 0.000 0.955 85 F HN -0.017 nan 8.300 nan 0.000 0.497 86 Y N 0.420 120.640 120.300 -0.134 0.000 2.151 86 Y HA -0.294 4.256 4.550 0.000 0.000 0.284 86 Y C 2.475 178.120 175.900 -0.424 0.000 1.166 86 Y CA 1.552 59.465 58.100 -0.311 0.000 1.163 86 Y CB -0.691 37.690 38.460 -0.131 0.000 0.974 86 Y HN 0.016 nan 8.280 nan 0.000 0.511 87 K N -0.298 119.937 120.400 -0.276 0.000 2.020 87 K HA -0.255 4.065 4.320 0.000 0.000 0.212 87 K C 1.956 178.229 176.600 -0.545 0.000 1.050 87 K CA 1.833 57.788 56.287 -0.553 0.000 0.929 87 K CB -1.282 30.892 32.500 -0.544 0.000 0.714 87 K HN 0.389 nan 8.250 nan 0.000 0.443 88 Y N 1.793 121.715 120.300 -0.631 0.000 2.070 88 Y HA -0.247 4.303 4.550 0.000 0.000 0.280 88 Y C 2.266 177.965 175.900 -0.336 0.000 1.148 88 Y CA 1.643 59.496 58.100 -0.411 0.000 1.125 88 Y CB -0.383 37.527 38.460 -0.917 0.000 0.975 88 Y HN -0.064 nan 8.280 nan 0.000 0.492 89 M N -0.327 118.930 119.600 -0.571 0.000 2.065 89 M HA -0.174 4.306 4.480 0.000 0.000 0.259 89 M C 0.547 176.589 176.300 -0.431 0.000 1.071 89 M CA 1.867 56.818 55.300 -0.583 0.000 1.109 89 M CB -1.099 31.097 32.600 -0.675 0.000 1.313 89 M HN 0.269 nan 8.290 nan 0.000 0.408 90 D N 0.040 120.235 120.400 -0.342 0.000 2.443 90 D HA 0.207 4.847 4.640 0.000 0.000 0.281 90 D C -1.973 174.173 176.300 -0.257 0.000 1.210 90 D CA -1.767 52.093 54.000 -0.234 0.000 0.875 90 D CB 1.054 41.724 40.800 -0.216 0.000 1.125 90 D HN 0.016 nan 8.370 nan 0.000 0.503 91 P HA -0.163 nan 4.420 nan 0.000 0.220 91 P C 0.939 177.926 177.300 -0.522 0.000 1.144 91 P CA 0.914 63.736 63.100 -0.463 0.000 0.800 91 P CB 0.585 32.093 31.700 -0.320 0.000 0.772 92 A N 0.247 122.864 122.820 -0.338 0.000 1.881 92 A HA 0.257 4.577 4.320 0.000 0.000 0.210 92 A C 2.627 179.844 177.584 -0.611 0.000 1.239 92 A CA 1.173 52.852 52.037 -0.597 0.000 0.629 92 A CB -1.628 17.049 19.000 -0.538 0.000 0.906 92 A HN 0.224 nan 8.150 nan 0.000 0.460 93 G N 0.088 108.593 108.800 -0.490 0.000 2.469 93 G HA2 -0.071 3.889 3.960 0.000 0.000 0.219 93 G HA3 -0.071 3.889 3.960 0.000 0.000 0.219 93 G C 1.734 176.413 174.900 -0.369 0.000 1.150 93 G CA 1.788 46.654 45.100 -0.391 0.000 0.763 93 G HN 0.850 nan 8.290 nan 0.000 0.561 94 A N 0.071 122.665 122.820 -0.377 0.000 1.927 94 A HA -0.060 4.260 4.320 0.000 0.000 0.220 94 A C 2.640 179.990 177.584 -0.391 0.000 1.185 94 A CA 2.209 54.035 52.037 -0.351 0.000 0.639 94 A CB -0.739 18.064 19.000 -0.328 0.000 0.820 94 A HN 0.324 nan 8.150 nan 0.000 0.451 95 V N -0.449 119.153 119.914 -0.519 0.000 2.261 95 V HA -0.262 3.858 4.120 0.000 0.000 0.246 95 V C 2.450 178.369 176.094 -0.293 0.000 1.047 95 V CA 2.433 64.461 62.300 -0.454 0.000 1.015 95 V CB -0.885 30.553 31.823 -0.642 0.000 0.642 95 V HN 0.641 nan 8.190 nan 0.000 0.446 96 E N 0.406 120.425 120.200 -0.302 0.000 2.110 96 E HA -0.143 4.207 4.350 0.000 0.000 0.193 96 E C 2.057 178.546 176.600 -0.184 0.000 0.988 96 E CA 1.496 57.771 56.400 -0.208 0.000 0.804 96 E CB -0.206 29.366 29.700 -0.213 0.000 0.745 96 E HN 0.480 nan 8.360 nan 0.000 0.458 97 S N -0.440 115.126 115.700 -0.223 0.000 2.701 97 S HA 0.129 4.599 4.470 0.000 0.000 0.220 97 S C 1.406 175.889 174.600 -0.195 0.000 0.954 97 S CA 0.434 58.509 58.200 -0.209 0.000 0.936 97 S CB 0.149 63.192 63.200 -0.262 0.000 0.777 97 S HN 0.514 nan 8.310 nan 0.000 0.518 98 G N 2.384 111.085 108.800 -0.165 0.000 2.216 98 G HA2 -0.398 3.562 3.960 0.000 0.000 0.269 98 G HA3 -0.398 3.562 3.960 0.000 0.000 0.269 98 G C 0.792 175.621 174.900 -0.119 0.000 0.981 98 G CA 1.078 46.110 45.100 -0.114 0.000 0.658 98 G HN 0.569 nan 8.290 nan 0.000 0.539 99 K N 0.437 120.708 120.400 -0.214 0.000 2.574 99 K HA 0.343 4.663 4.320 0.000 0.000 0.193 99 K C 1.533 178.104 176.600 -0.050 0.000 1.035 99 K CA 0.491 56.626 56.287 -0.254 0.000 0.982 99 K CB 0.139 32.200 32.500 -0.732 0.000 0.795 99 K HN 0.547 nan 8.250 nan 0.000 0.491 100 A N 2.242 125.016 122.820 -0.077 0.000 2.797 100 A HA 0.208 4.528 4.320 0.000 0.000 0.296 100 A C -0.157 177.587 177.584 0.266 0.000 1.580 100 A CA -0.142 51.870 52.037 -0.042 0.000 1.277 100 A CB -0.506 18.325 19.000 -0.281 0.000 1.101 100 A HN 0.169 nan 8.150 nan 0.000 0.562 101 L N 1.707 123.144 121.223 0.357 0.000 2.334 101 L HA 0.716 5.056 4.340 0.000 0.000 0.272 101 L C 1.230 178.312 176.870 0.353 0.000 1.020 101 L CA -0.288 54.745 54.840 0.323 0.000 0.812 101 L CB 1.074 43.271 42.059 0.229 0.000 1.264 101 L HN 0.889 nan 8.230 nan 0.000 0.439 102 G N 1.739 110.655 108.800 0.194 0.000 2.622 102 G HA2 -0.334 3.626 3.960 0.000 0.000 0.272 102 G HA3 -0.334 3.626 3.960 0.000 0.000 0.272 102 G C 0.046 174.886 174.900 -0.101 0.000 1.308 102 G CA 0.024 45.173 45.100 0.082 0.000 0.919 102 G HN 0.799 nan 8.290 nan 0.000 0.565 103 E N 0.956 121.080 120.200 -0.127 0.000 1.999 103 E HA 0.400 4.750 4.350 0.000 0.000 0.296 103 E C 1.515 178.017 176.600 -0.164 0.000 1.187 103 E CA 0.217 56.439 56.400 -0.296 0.000 1.229 103 E CB -0.932 28.688 29.700 -0.134 0.000 1.131 103 E HN 0.556 nan 8.360 nan 0.000 0.478 104 F N 0.011 120.086 119.950 0.208 0.000 2.494 104 F HA -0.043 4.484 4.527 0.000 0.000 0.298 104 F C 1.865 177.920 175.800 0.425 0.000 1.106 104 F CA 0.441 58.639 58.000 0.329 0.000 1.452 104 F CB -0.757 38.418 39.000 0.293 0.000 1.085 104 F HN 0.271 nan 8.300 nan 0.000 0.569 105 S N -0.477 115.446 115.700 0.371 0.000 2.603 105 S HA 0.079 4.549 4.470 0.000 0.000 0.220 105 S C 0.717 175.383 174.600 0.110 0.000 0.967 105 S CA -0.260 58.110 58.200 0.282 0.000 0.920 105 S CB -0.395 62.819 63.200 0.023 0.000 0.773 105 S HN 0.336 nan 8.310 nan 0.000 0.529 106 K N 1.430 121.904 120.400 0.123 0.000 2.156 106 K HA 0.380 4.700 4.320 0.000 0.000 0.271 106 K C -0.961 175.623 176.600 -0.027 0.000 0.995 106 K CA -0.495 55.804 56.287 0.020 0.000 0.890 106 K CB 1.927 34.422 32.500 -0.008 0.000 1.073 106 K HN -0.051 nan 8.250 nan 0.000 0.454 107 V N 5.799 125.623 119.914 -0.150 0.000 2.427 107 V HA 0.065 4.185 4.120 0.000 0.000 0.268 107 V C -1.488 174.409 176.094 -0.328 0.000 1.046 107 V CA -1.297 60.760 62.300 -0.406 0.000 0.970 107 V CB 1.004 32.752 31.823 -0.124 0.000 1.001 107 V HN 0.695 nan 8.190 nan 0.000 0.476 108 P HA 0.014 nan 4.420 nan 0.000 0.269 108 P C 0.111 177.268 177.300 -0.237 0.000 1.601 108 P CA 0.086 63.029 63.100 -0.261 0.000 0.831 108 P CB -0.067 31.506 31.700 -0.210 0.000 1.688 109 D N -1.624 118.647 120.400 -0.216 0.000 2.339 109 D HA 0.058 4.698 4.640 0.000 0.000 0.217 109 D C 1.315 177.555 176.300 -0.100 0.000 1.050 109 D CA -0.140 53.758 54.000 -0.169 0.000 0.856 109 D CB -0.966 39.748 40.800 -0.144 0.000 0.922 109 D HN 0.165 nan 8.370 nan 0.000 0.518 110 G N 1.075 109.825 108.800 -0.083 0.000 2.366 110 G HA2 -0.276 3.684 3.960 0.000 0.000 0.299 110 G HA3 -0.276 3.684 3.960 0.000 0.000 0.299 110 G C 0.362 175.237 174.900 -0.041 0.000 1.020 110 G CA 0.754 45.824 45.100 -0.051 0.000 1.026 110 G HN 0.432 nan 8.290 nan 0.000 0.512 111 L N -0.125 121.072 121.223 -0.043 0.000 2.327 111 L HA 0.557 4.897 4.340 0.000 0.000 0.192 111 L C 1.605 178.453 176.870 -0.036 0.000 1.158 111 L CA 0.607 55.426 54.840 -0.035 0.000 0.813 111 L CB -0.562 41.478 42.059 -0.032 0.000 1.021 111 L HN 0.306 nan 8.230 nan 0.000 0.481 112 L N 1.428 122.619 121.223 -0.054 0.000 2.485 112 L HA 0.051 4.391 4.340 0.000 0.000 0.275 112 L C 1.705 178.554 176.870 -0.034 0.000 1.207 112 L CA 0.157 54.948 54.840 -0.081 0.000 0.855 112 L CB 0.111 42.083 42.059 -0.145 0.000 1.114 112 L HN 0.327 nan 8.230 nan 0.000 0.485 113 R N 1.874 122.372 120.500 -0.004 0.000 2.148 113 R HA -0.038 4.302 4.340 0.000 0.000 0.223 113 R C -0.433 175.974 176.300 0.177 0.000 1.088 113 R CA 1.021 57.175 56.100 0.091 0.000 0.985 113 R CB 0.244 30.634 30.300 0.150 0.000 0.880 113 R HN 0.686 nan 8.270 nan 0.000 0.451 114 Y N -2.748 117.571 120.300 0.031 0.000 2.764 114 Y HA 0.531 5.081 4.550 0.000 0.000 0.331 114 Y C -1.182 174.747 175.900 0.048 0.000 1.280 114 Y CA -1.151 56.978 58.100 0.047 0.000 1.065 114 Y CB 1.192 39.683 38.460 0.052 0.000 1.319 114 Y HN -0.054 nan 8.280 nan 0.000 0.453 115 S N -0.242 115.503 115.700 0.074 0.000 2.727 115 S HA 0.503 4.973 4.470 0.000 0.000 0.275 115 S C -2.483 172.167 174.600 0.084 0.000 0.995 115 S CA -0.778 57.387 58.200 -0.059 0.000 0.893 115 S CB 0.438 63.562 63.200 -0.126 0.000 1.135 115 S HN 1.174 nan 8.310 nan 0.000 0.460 116 V N 2.612 122.564 119.914 0.063 0.000 2.459 116 V HA 0.661 4.781 4.120 0.000 0.000 0.295 116 V C -0.902 175.065 176.094 -0.212 0.000 1.029 116 V CA -0.362 61.939 62.300 0.002 0.000 0.874 116 V CB 1.484 33.384 31.823 0.127 0.000 0.985 116 V HN 0.984 nan 8.190 nan 0.000 0.438 117 D N 3.739 123.950 120.400 -0.315 0.000 2.375 117 D HA 0.758 5.398 4.640 0.000 0.000 0.247 117 D C -0.533 175.400 176.300 -0.612 0.000 1.061 117 D CA -0.490 53.221 54.000 -0.482 0.000 0.834 117 D CB 2.638 43.282 40.800 -0.261 0.000 1.247 117 D HN 0.656 nan 8.370 nan 0.000 0.489 118 A N 1.655 123.887 122.820 -0.981 0.000 2.527 118 A HA 0.675 4.995 4.320 0.000 0.000 0.293 118 A C -1.114 176.185 177.584 -0.475 0.000 1.117 118 A CA -0.810 50.809 52.037 -0.697 0.000 0.723 118 A CB 2.165 20.743 19.000 -0.703 0.000 1.313 118 A HN 0.639 nan 8.150 nan 0.000 0.411 119 E N 1.230 121.370 120.200 -0.100 0.000 2.317 119 E HA 0.319 4.669 4.350 0.000 0.000 0.270 119 E C -1.371 175.321 176.600 0.154 0.000 0.899 119 E CA -0.265 56.215 56.400 0.132 0.000 0.814 119 E CB 1.038 30.980 29.700 0.402 0.000 1.296 119 E HN 0.697 nan 8.360 nan 0.000 0.404 120 Q N 2.815 122.709 119.800 0.157 0.000 2.230 120 Q HA 0.466 4.806 4.340 0.000 0.000 0.253 120 Q C -0.286 175.734 176.000 0.032 0.000 0.919 120 Q CA -0.627 55.230 55.803 0.090 0.000 0.908 120 Q CB 1.417 30.209 28.738 0.090 0.000 1.245 120 Q HN 0.339 nan 8.270 nan 0.000 0.437 121 R N 0.599 121.047 120.500 -0.086 0.000 2.700 121 R HA 0.215 4.555 4.340 0.000 0.000 0.399 121 R C -2.387 173.772 176.300 -0.235 0.000 1.115 121 R CA -1.287 54.627 56.100 -0.310 0.000 1.058 121 R CB -0.442 29.483 30.300 -0.625 0.000 1.389 121 R HN 0.502 nan 8.270 nan 0.000 0.582 122 P HA -0.098 nan 4.420 nan 0.000 0.260 122 P C -0.344 176.905 177.300 -0.086 0.000 1.172 122 P CA 0.789 63.844 63.100 -0.075 0.000 0.760 122 P CB 0.842 32.525 31.700 -0.029 0.000 0.773 123 I N 3.939 124.458 120.570 -0.085 0.000 2.354 123 I HA 0.263 4.433 4.170 0.000 0.000 0.292 123 I C 0.416 176.505 176.117 -0.047 0.000 0.989 123 I CA -1.126 60.123 61.300 -0.085 0.000 1.188 123 I CB 1.887 39.828 38.000 -0.098 0.000 1.342 123 I HN 0.121 nan 8.210 nan 0.000 0.457 124 V N 2.307 122.195 119.914 -0.043 0.000 2.555 124 V HA 0.472 4.592 4.120 0.000 0.000 0.302 124 V C 0.028 176.095 176.094 -0.044 0.000 1.038 124 V CA -0.585 61.701 62.300 -0.024 0.000 0.887 124 V CB 1.407 33.215 31.823 -0.024 0.000 0.991 124 V HN 0.683 nan 8.190 nan 0.000 0.434 125 T N 5.661 120.201 114.554 -0.022 0.000 2.762 125 T HA 0.561 4.911 4.350 0.000 0.000 0.303 125 T C -0.302 174.404 174.700 0.009 0.000 0.977 125 T CA 0.089 62.182 62.100 -0.010 0.000 0.961 125 T CB 0.435 69.300 68.868 -0.005 0.000 0.944 125 T HN 0.440 nan 8.240 nan 0.000 0.481 126 I N 4.409 125.008 120.570 0.049 0.000 2.297 126 I HA 0.277 4.447 4.170 0.000 0.000 0.291 126 I C 0.361 176.651 176.117 0.288 0.000 1.033 126 I CA -0.488 60.897 61.300 0.141 0.000 1.253 126 I CB 0.626 38.780 38.000 0.257 0.000 1.396 126 I HN 0.571 nan 8.210 nan 0.000 0.476 127 E N 4.060 124.437 120.200 0.295 0.000 2.232 127 E HA 0.380 4.730 4.350 0.000 0.000 0.264 127 E C -0.715 176.035 176.600 0.249 0.000 0.973 127 E CA -0.780 55.766 56.400 0.242 0.000 0.849 127 E CB 1.146 30.910 29.700 0.106 0.000 1.198 127 E HN 0.561 nan 8.360 nan 0.000 0.407 128 C N 4.354 123.360 119.300 -0.491 0.000 2.624 128 C HA 0.141 4.601 4.460 0.000 0.000 0.397 128 C C -0.961 173.599 174.990 -0.717 0.000 1.331 128 C CA -1.498 56.653 59.018 -1.444 0.000 1.716 128 C CB -0.409 26.044 27.740 -2.145 0.000 2.452 128 C HN 0.635 nan 8.230 nan 0.000 0.586 129 P HA -0.255 nan 4.420 nan 0.000 0.233 129 P C 1.167 178.035 177.300 -0.720 0.000 1.141 129 P CA 3.172 65.561 63.100 -1.186 0.000 0.951 129 P CB -0.215 30.243 31.700 -2.071 0.000 0.778 130 T N -0.835 113.326 114.554 -0.654 0.000 3.021 130 T HA 0.099 4.449 4.350 0.000 0.000 0.245 130 T C 0.897 175.458 174.700 -0.233 0.000 1.028 130 T CA -0.098 61.762 62.100 -0.399 0.000 1.139 130 T CB -0.601 68.036 68.868 -0.386 0.000 0.884 130 T HN -0.099 nan 8.240 nan 0.000 0.457 131 V N 3.054 122.783 119.914 -0.308 0.000 2.843 131 V HA 0.074 4.194 4.120 0.000 0.000 0.305 131 V C 0.931 176.958 176.094 -0.111 0.000 1.120 131 V CA -0.199 61.972 62.300 -0.215 0.000 1.254 131 V CB 0.442 32.085 31.823 -0.300 0.000 0.901 131 V HN 0.380 nan 8.190 nan 0.000 0.503 132 S N 2.247 117.910 115.700 -0.063 0.000 2.617 132 S HA 0.157 4.627 4.470 0.000 0.000 0.259 132 S C 0.989 175.572 174.600 -0.028 0.000 1.301 132 S CA -0.085 58.099 58.200 -0.027 0.000 0.984 132 S CB 0.814 64.001 63.200 -0.022 0.000 0.954 132 S HN 0.839 nan 8.310 nan 0.000 0.572 133 E N 0.247 120.440 120.200 -0.012 0.000 2.290 133 E HA 0.050 4.400 4.350 0.000 0.000 0.197 133 E C 2.072 178.663 176.600 -0.015 0.000 0.948 133 E CA 0.278 56.673 56.400 -0.009 0.000 0.895 133 E CB -0.021 29.680 29.700 0.002 0.000 0.865 133 E HN 0.508 nan 8.360 nan 0.000 0.486 134 S N 1.403 117.093 115.700 -0.016 0.000 2.380 134 S HA -0.140 4.330 4.470 0.000 0.000 0.213 134 S C 0.793 175.380 174.600 -0.023 0.000 1.037 134 S CA 1.192 59.380 58.200 -0.019 0.000 1.034 134 S CB -0.260 62.927 63.200 -0.022 0.000 1.022 134 S HN 0.239 nan 8.310 nan 0.000 0.418 135 D N 0.263 120.647 120.400 -0.026 0.000 2.210 135 D HA 0.355 4.995 4.640 0.000 0.000 0.249 135 D C -0.889 175.391 176.300 -0.033 0.000 1.078 135 D CA -0.218 53.766 54.000 -0.028 0.000 0.875 135 D CB 0.549 41.333 40.800 -0.028 0.000 1.175 135 D HN 0.071 nan 8.370 nan 0.000 0.440 136 L N 5.680 126.883 121.223 -0.032 0.000 2.277 136 L HA 0.454 4.794 4.340 0.000 0.000 0.284 136 L C -2.179 174.669 176.870 -0.036 0.000 1.028 136 L CA -1.817 53.000 54.840 -0.038 0.000 0.835 136 L CB 1.391 43.430 42.059 -0.033 0.000 1.215 136 L HN 0.418 nan 8.230 nan 0.000 0.425 137 P HA 0.143 nan 4.420 nan 0.000 0.287 137 P C -0.594 176.684 177.300 -0.037 0.000 1.281 137 P CA -0.356 62.720 63.100 -0.040 0.000 0.781 137 P CB 1.140 32.809 31.700 -0.051 0.000 0.903 138 L N 3.339 124.549 121.223 -0.023 0.000 2.648 138 L HA 0.125 4.465 4.340 0.000 0.000 0.238 138 L C 1.254 178.119 176.870 -0.009 0.000 1.316 138 L CA -0.261 54.572 54.840 -0.012 0.000 1.241 138 L CB -0.547 41.510 42.059 -0.004 0.000 1.499 138 L HN 0.254 nan 8.230 nan 0.000 0.411 139 D N 2.320 122.708 120.400 -0.021 0.000 2.158 139 D HA -0.165 4.475 4.640 0.000 0.000 0.197 139 D C 1.733 178.031 176.300 -0.004 0.000 0.995 139 D CA 1.561 55.548 54.000 -0.022 0.000 0.846 139 D CB 0.188 40.960 40.800 -0.046 0.000 0.941 139 D HN 0.674 nan 8.370 nan 0.000 0.456 140 G N 1.214 110.022 108.800 0.013 0.000 2.221 140 G HA2 -0.307 3.653 3.960 0.000 0.000 0.265 140 G HA3 -0.307 3.653 3.960 0.000 0.000 0.265 140 G C 0.129 175.043 174.900 0.024 0.000 1.041 140 G CA 0.509 45.627 45.100 0.031 0.000 0.807 140 G HN 0.319 nan 8.290 nan 0.000 0.502 141 K N -1.119 119.289 120.400 0.013 0.000 2.295 141 K HA 0.853 5.173 4.320 0.000 0.000 0.239 141 K C 0.468 177.090 176.600 0.036 0.000 0.991 141 K CA -0.902 55.382 56.287 -0.004 0.000 0.845 141 K CB 1.632 34.103 32.500 -0.047 0.000 1.197 141 K HN 0.177 nan 8.250 nan 0.000 0.441 142 L N -0.127 121.112 121.223 0.027 0.000 2.171 142 L HA 0.686 5.026 4.340 0.000 0.000 0.253 142 L C -1.319 175.670 176.870 0.198 0.000 1.054 142 L CA -1.129 53.783 54.840 0.120 0.000 0.927 142 L CB 1.275 43.304 42.059 -0.048 0.000 1.513 142 L HN 0.731 nan 8.230 nan 0.000 0.471 143 W N -0.105 121.032 121.300 -0.271 0.000 4.071 143 W HA 0.441 5.101 4.660 0.000 0.000 0.274 143 W C -1.779 174.552 176.519 -0.314 0.000 1.278 143 W CA -1.037 56.118 57.345 -0.318 0.000 1.258 143 W CB 0.865 30.165 29.460 -0.267 0.000 1.236 143 W HN 0.514 nan 8.180 nan 0.000 0.530 144 R N 2.374 122.652 120.500 -0.370 0.000 2.298 144 R HA 0.580 4.920 4.340 0.000 0.000 0.310 144 R C -1.305 174.821 176.300 -0.290 0.000 1.068 144 R CA -0.380 55.489 56.100 -0.386 0.000 0.957 144 R CB 1.467 31.586 30.300 -0.302 0.000 1.003 144 R HN 0.471 nan 8.270 nan 0.000 0.454 145 V N 3.708 123.427 119.914 -0.326 0.000 2.623 145 V HA 0.548 4.668 4.120 0.000 0.000 0.304 145 V C -1.308 174.608 176.094 -0.297 0.000 1.054 145 V CA -0.244 61.869 62.300 -0.312 0.000 0.882 145 V CB 2.376 33.855 31.823 -0.574 0.000 1.002 145 V HN 0.886 nan 8.190 nan 0.000 0.424 146 S N 5.800 121.297 115.700 -0.338 0.000 2.599 146 S HA 0.881 5.351 4.470 0.000 0.000 0.294 146 S C -1.356 172.858 174.600 -0.644 0.000 1.094 146 S CA -0.338 57.663 58.200 -0.331 0.000 0.931 146 S CB 1.727 64.995 63.200 0.113 0.000 1.093 146 S HN 0.611 nan 8.310 nan 0.000 0.488 147 F N 0.963 120.805 119.950 -0.180 0.000 2.551 147 F HA 0.633 5.160 4.527 0.000 0.000 0.316 147 F C -0.274 175.415 175.800 -0.186 0.000 1.089 147 F CA -0.855 57.067 58.000 -0.131 0.000 0.915 147 F CB 1.061 39.828 39.000 -0.389 0.000 1.186 147 F HN 0.262 nan 8.300 nan 0.000 0.456 148 I N 1.810 122.464 120.570 0.140 0.000 2.410 148 I HA 0.309 4.479 4.170 0.000 0.000 0.286 148 I C -0.513 175.557 176.117 -0.079 0.000 1.009 148 I CA -0.537 60.692 61.300 -0.119 0.000 1.111 148 I CB 1.936 39.818 38.000 -0.198 0.000 1.262 148 I HN 0.541 nan 8.210 nan 0.000 0.443 149 S N 6.662 122.277 115.700 -0.141 0.000 2.442 149 S HA 0.675 5.145 4.470 0.000 0.000 0.297 149 S C -0.946 173.560 174.600 -0.157 0.000 1.131 149 S CA -0.294 57.956 58.200 0.084 0.000 1.092 149 S CB 0.356 63.793 63.200 0.396 0.000 0.998 149 S HN 0.354 nan 8.310 nan 0.000 0.478 150 F N 5.101 125.196 119.950 0.241 0.000 2.520 150 F HA 0.453 4.980 4.527 0.000 0.000 0.322 150 F C -1.704 174.094 175.800 -0.003 0.000 1.103 150 F CA -2.224 55.885 58.000 0.182 0.000 0.926 150 F CB 2.404 41.623 39.000 0.365 0.000 1.154 150 F HN 0.429 nan 8.300 nan 0.000 0.453 151 P HA 0.073 nan 4.420 nan 0.000 0.249 151 P C -0.475 176.820 177.300 -0.007 0.000 1.686 151 P CA 0.317 63.353 63.100 -0.107 0.000 0.873 151 P CB -0.308 31.296 31.700 -0.161 0.000 1.828 152 A N 0.180 123.125 122.820 0.209 0.000 2.340 152 A HA 0.239 4.559 4.320 0.000 0.000 0.268 152 A C 0.887 178.647 177.584 0.294 0.000 1.100 152 A CA -0.553 51.717 52.037 0.388 0.000 0.803 152 A CB 0.010 19.326 19.000 0.527 0.000 1.043 152 A HN 0.155 nan 8.150 nan 0.000 0.488 153 F N 1.985 121.965 119.950 0.051 0.000 2.025 153 F HA -0.253 4.274 4.527 0.000 0.000 0.297 153 F C 2.358 177.993 175.800 -0.275 0.000 1.132 153 F CA 2.768 60.504 58.000 -0.440 0.000 1.191 153 F CB -0.106 38.461 39.000 -0.722 0.000 0.963 153 F HN 0.744 nan 8.300 nan 0.000 0.481 154 R N -0.221 120.120 120.500 -0.265 0.000 2.225 154 R HA 0.186 4.526 4.340 0.000 0.000 0.194 154 R C 0.499 176.817 176.300 0.031 0.000 0.957 154 R CA -0.058 55.885 56.100 -0.261 0.000 1.042 154 R CB -0.817 29.421 30.300 -0.104 0.000 1.004 154 R HN 0.274 nan 8.270 nan 0.000 0.509 155 L N 3.453 124.778 121.223 0.171 0.000 2.500 155 L HA 0.071 4.411 4.340 0.000 0.000 0.272 155 L C 0.878 177.868 176.870 0.200 0.000 1.149 155 L CA 0.060 55.032 54.840 0.221 0.000 0.897 155 L CB 0.745 42.987 42.059 0.305 0.000 1.178 155 L HN 0.090 nan 8.230 nan 0.000 0.473 156 N N 4.655 123.436 118.700 0.136 0.000 2.124 156 N HA 0.036 4.776 4.740 0.000 0.000 0.188 156 N C -0.096 175.643 175.510 0.381 0.000 1.045 156 N CA 1.840 55.005 53.050 0.193 0.000 0.846 156 N CB 0.065 38.610 38.487 0.097 0.000 1.020 156 N HN 0.636 nan 8.380 nan 0.000 0.432 157 F N -2.237 117.904 119.950 0.318 0.000 2.900 157 F HA 0.518 5.045 4.527 0.000 0.000 0.321 157 F C -1.677 174.404 175.800 0.468 0.000 1.160 157 F CA -1.561 56.652 58.000 0.355 0.000 0.890 157 F CB 0.619 39.805 39.000 0.310 0.000 1.334 157 F HN -0.198 nan 8.300 nan 0.000 0.459 158 I N 1.753 122.803 120.570 0.800 0.000 2.693 158 I HA 0.859 5.029 4.170 0.000 0.000 0.303 158 I C -0.500 176.135 176.117 0.863 0.000 1.025 158 I CA -1.231 60.485 61.300 0.693 0.000 1.086 158 I CB 1.912 40.213 38.000 0.502 0.000 1.268 158 I HN 0.984 nan 8.210 nan 0.000 0.440 159 A N 5.365 128.644 122.820 0.764 0.000 2.455 159 A HA 0.874 5.194 4.320 0.000 0.000 0.300 159 A C -1.442 176.510 177.584 0.613 0.000 1.040 159 A CA -0.473 51.874 52.037 0.517 0.000 0.697 159 A CB 1.506 20.817 19.000 0.517 0.000 1.265 159 A HN 0.497 nan 8.150 nan 0.000 0.407 160 L N -0.583 120.892 121.223 0.420 0.000 2.401 160 L HA 1.029 5.369 4.340 0.000 0.000 0.266 160 L C -0.137 177.032 176.870 0.499 0.000 0.991 160 L CA -1.496 53.721 54.840 0.630 0.000 0.818 160 L CB 0.915 43.115 42.059 0.236 0.000 1.321 160 L HN 1.158 nan 8.230 nan 0.000 0.413 161 A N 1.680 124.779 122.820 0.464 0.000 2.475 161 A HA 0.747 5.067 4.320 0.000 0.000 0.301 161 A C -1.280 176.244 177.584 -0.099 0.000 1.059 161 A CA -0.549 51.573 52.037 0.141 0.000 0.710 161 A CB 1.572 20.590 19.000 0.029 0.000 1.288 161 A HN 0.803 nan 8.150 nan 0.000 0.408 162 N N 2.252 120.683 118.700 -0.448 0.000 2.446 162 N HA 0.279 5.019 4.740 0.000 0.000 0.265 162 N C 0.582 175.850 175.510 -0.403 0.000 0.975 162 N CA -0.484 52.022 53.050 -0.908 0.000 0.928 162 N CB 1.006 38.569 38.487 -1.539 0.000 1.160 162 N HN 0.623 nan 8.380 nan 0.000 0.495 163 I N 0.665 121.021 120.570 -0.357 0.000 3.241 163 I HA -0.029 4.142 4.170 0.000 0.000 0.280 163 I C 0.250 176.229 176.117 -0.230 0.000 1.320 163 I CA 0.443 61.569 61.300 -0.289 0.000 1.413 163 I CB -0.271 37.529 38.000 -0.333 0.000 1.060 163 I HN 0.265 nan 8.210 nan 0.000 0.500 164 N N 1.582 120.121 118.700 -0.269 0.000 2.238 164 N HA 0.037 4.777 4.740 0.000 0.000 0.235 164 N C 0.379 175.744 175.510 -0.240 0.000 1.209 164 N CA 0.096 53.016 53.050 -0.217 0.000 0.879 164 N CB 0.299 38.665 38.487 -0.202 0.000 1.136 164 N HN 0.418 nan 8.380 nan 0.000 0.517 165 N N 1.032 119.561 118.700 -0.286 0.000 2.857 165 N HA -0.230 4.510 4.740 0.000 0.000 0.242 165 N C -0.611 174.665 175.510 -0.391 0.000 0.983 165 N CA 0.871 53.663 53.050 -0.430 0.000 0.934 165 N CB -0.661 37.522 38.487 -0.507 0.000 1.115 165 N HN 0.401 nan 8.380 nan 0.000 0.593 166 E N 0.143 120.165 120.200 -0.298 0.000 2.468 166 E HA 0.252 4.602 4.350 0.000 0.000 0.263 166 E C 0.516 177.125 176.600 0.015 0.000 1.192 166 E CA 0.458 56.776 56.400 -0.136 0.000 1.016 166 E CB 0.326 29.933 29.700 -0.155 0.000 0.980 166 E HN 0.399 nan 8.360 nan 0.000 0.467 167 A N 1.273 124.203 122.820 0.183 0.000 2.287 167 A HA 0.280 4.600 4.320 0.000 0.000 0.273 167 A C -0.643 177.217 177.584 0.460 0.000 1.091 167 A CA -0.486 51.724 52.037 0.287 0.000 0.817 167 A CB 0.447 19.582 19.000 0.225 0.000 1.069 167 A HN 0.378 nan 8.150 nan 0.000 0.492 168 L N 1.547 123.003 121.223 0.388 0.000 2.282 168 L HA 0.374 4.714 4.340 0.000 0.000 0.287 168 L C 0.786 177.725 176.870 0.115 0.000 1.075 168 L CA 0.490 55.476 54.840 0.244 0.000 0.839 168 L CB 0.358 42.386 42.059 -0.052 0.000 1.219 168 L HN 0.845 nan 8.230 nan 0.000 0.434 169 T N 2.534 117.170 114.554 0.136 0.000 2.729 169 T HA 0.136 4.486 4.350 0.000 0.000 0.298 169 T C 1.098 175.828 174.700 0.051 0.000 1.013 169 T CA -0.074 62.084 62.100 0.097 0.000 0.957 169 T CB 0.512 69.449 68.868 0.115 0.000 1.130 169 T HN 0.604 nan 8.240 nan 0.000 0.526 170 L N 1.610 122.871 121.223 0.064 0.000 1.925 170 L HA -0.014 4.326 4.340 0.000 0.000 0.215 170 L C 2.778 179.686 176.870 0.064 0.000 1.082 170 L CA 2.231 57.114 54.840 0.071 0.000 0.764 170 L CB -1.310 40.791 42.059 0.070 0.000 0.887 170 L HN 0.877 nan 8.230 nan 0.000 0.432 171 E N -0.070 120.168 120.200 0.064 0.000 2.132 171 E HA -0.368 3.982 4.350 0.000 0.000 0.218 171 E C 1.914 178.541 176.600 0.045 0.000 1.058 171 E CA 2.702 59.140 56.400 0.064 0.000 0.882 171 E CB -2.130 27.607 29.700 0.061 0.000 0.774 171 E HN 0.754 nan 8.360 nan 0.000 0.467 172 T N 0.231 114.794 114.554 0.015 0.000 2.597 172 T HA -0.319 4.031 4.350 0.000 0.000 0.267 172 T C 2.060 176.681 174.700 -0.131 0.000 1.053 172 T CA 1.999 64.041 62.100 -0.096 0.000 1.165 172 T CB -0.550 68.174 68.868 -0.239 0.000 0.863 172 T HN 0.335 nan 8.240 nan 0.000 0.427 173 R N 2.013 122.429 120.500 -0.139 0.000 2.148 173 R HA -0.240 4.100 4.340 0.000 0.000 0.230 173 R C 2.347 178.642 176.300 -0.009 0.000 1.120 173 R CA 2.522 58.560 56.100 -0.103 0.000 0.902 173 R CB -0.930 29.368 30.300 -0.003 0.000 0.839 173 R HN 0.668 nan 8.270 nan 0.000 0.431 174 N N -0.792 117.955 118.700 0.079 0.000 2.096 174 N HA -0.194 4.546 4.740 0.000 0.000 0.195 174 N C 1.688 177.233 175.510 0.058 0.000 1.017 174 N CA 2.315 55.467 53.050 0.169 0.000 0.870 174 N CB -0.310 38.344 38.487 0.279 0.000 1.024 174 N HN 0.406 nan 8.380 nan 0.000 0.434 175 T N 0.816 115.394 114.554 0.039 0.000 2.652 175 T HA -0.188 4.162 4.350 0.000 0.000 0.267 175 T C 1.513 176.094 174.700 -0.199 0.000 1.039 175 T CA 1.129 63.234 62.100 0.010 0.000 1.153 175 T CB -0.599 68.337 68.868 0.114 0.000 0.863 175 T HN 0.244 nan 8.240 nan 0.000 0.428 176 F N 2.171 121.824 119.950 -0.496 0.000 2.027 176 F HA -0.190 4.337 4.527 0.000 0.000 0.297 176 F C 1.966 177.314 175.800 -0.753 0.000 1.129 176 F CA 1.075 58.425 58.000 -1.083 0.000 1.195 176 F CB -0.894 37.496 39.000 -1.016 0.000 0.960 176 F HN 0.097 nan 8.300 nan 0.000 0.485 177 I N 0.247 120.343 120.570 -0.790 0.000 2.044 177 I HA -0.439 3.731 4.170 0.000 0.000 0.234 177 I C 2.648 178.303 176.117 -0.770 0.000 1.031 177 I CA 2.011 62.778 61.300 -0.888 0.000 1.305 177 I CB -1.086 36.385 38.000 -0.883 0.000 1.026 177 I HN 0.348 nan 8.210 nan 0.000 0.392 178 Q N 0.637 120.082 119.800 -0.592 0.000 2.167 178 Q HA -0.337 4.003 4.340 0.000 0.000 0.218 178 Q C 2.068 177.937 176.000 -0.218 0.000 1.033 178 Q CA 3.579 59.292 55.803 -0.151 0.000 0.918 178 Q CB -0.658 28.143 28.738 0.105 0.000 1.019 178 Q HN 0.595 nan 8.270 nan 0.000 0.417 179 T N 2.232 116.569 114.554 -0.361 0.000 2.595 179 T HA -0.157 4.193 4.350 0.000 0.000 0.264 179 T C 2.057 176.547 174.700 -0.351 0.000 1.058 179 T CA 1.840 63.718 62.100 -0.370 0.000 1.166 179 T CB -0.556 67.952 68.868 -0.601 0.000 0.863 179 T HN 0.350 nan 8.240 nan 0.000 0.415 180 L N 1.470 122.367 121.223 -0.544 0.000 2.151 180 L HA -0.217 4.123 4.340 0.000 0.000 0.215 180 L C 2.302 179.122 176.870 -0.084 0.000 1.084 180 L CA 1.426 56.090 54.840 -0.293 0.000 0.764 180 L CB -0.858 40.964 42.059 -0.395 0.000 0.891 180 L HN 0.439 nan 8.230 nan 0.000 0.435 181 N N -0.227 118.398 118.700 -0.125 0.000 2.415 181 N HA -0.046 4.694 4.740 0.000 0.000 0.176 181 N C 0.659 176.142 175.510 -0.045 0.000 1.042 181 N CA 0.559 53.567 53.050 -0.071 0.000 0.902 181 N CB 0.017 38.471 38.487 -0.053 0.000 0.986 181 N HN 0.473 nan 8.380 nan 0.000 0.447 182 N N 1.086 119.757 118.700 -0.047 0.000 2.238 182 N HA 0.199 4.939 4.740 0.000 0.000 0.222 182 N C -0.067 175.442 175.510 -0.001 0.000 1.133 182 N CA -0.033 53.003 53.050 -0.023 0.000 0.854 182 N CB 0.925 39.401 38.487 -0.019 0.000 1.041 182 N HN 0.213 nan 8.380 nan 0.000 0.510 183 I N 1.851 122.438 120.570 0.029 0.000 2.471 183 I HA -0.041 4.129 4.170 0.000 0.000 0.294 183 I C 1.350 177.542 176.117 0.125 0.000 1.123 183 I CA 0.035 61.399 61.300 0.105 0.000 1.336 183 I CB 0.215 38.334 38.000 0.198 0.000 1.430 183 I HN 0.014 nan 8.210 nan 0.000 0.533 184 T N 4.488 119.089 114.554 0.078 0.000 2.520 184 T HA -0.154 4.196 4.350 0.000 0.000 0.258 184 T C 1.033 175.852 174.700 0.198 0.000 1.125 184 T CA 1.100 63.255 62.100 0.092 0.000 1.206 184 T CB -0.147 68.720 68.868 -0.002 0.000 0.864 184 T HN 0.519 nan 8.240 nan 0.000 0.400 185 N N 1.741 120.513 118.700 0.119 0.000 3.322 185 N HA 0.069 4.809 4.740 0.000 0.000 0.290 185 N C 1.148 176.680 175.510 0.037 0.000 1.297 185 N CA -0.263 52.835 53.050 0.081 0.000 1.167 185 N CB 0.070 38.534 38.487 -0.037 0.000 1.434 185 N HN 0.638 nan 8.380 nan 0.000 0.526 186 W N 1.809 123.134 121.300 0.043 0.000 2.285 186 W HA -0.233 4.427 4.660 0.000 0.000 0.290 186 W C 0.703 177.253 176.519 0.051 0.000 1.217 186 W CA 0.507 57.883 57.345 0.052 0.000 1.207 186 W CB -0.614 28.889 29.460 0.072 0.000 1.136 186 W HN 0.206 nan 8.180 nan 0.000 0.546 187 R N 1.021 120.934 120.500 -0.978 0.000 2.303 187 R HA -0.133 4.207 4.340 0.000 0.000 0.225 187 R C 1.324 177.396 176.300 -0.379 0.000 1.114 187 R CA 1.462 57.046 56.100 -0.860 0.000 1.007 187 R CB -0.690 29.263 30.300 -0.579 0.000 0.861 187 R HN 0.298 nan 8.270 nan 0.000 0.471 188 D N 0.137 120.387 120.400 -0.250 0.000 2.348 188 D HA -0.062 4.578 4.640 0.000 0.000 0.216 188 D C 0.736 176.952 176.300 -0.139 0.000 0.970 188 D CA 0.731 54.640 54.000 -0.151 0.000 0.889 188 D CB 0.326 41.063 40.800 -0.104 0.000 0.912 188 D HN 0.114 nan 8.370 nan 0.000 0.524 189 L N -0.538 120.582 121.223 -0.171 0.000 2.910 189 L HA 0.276 4.616 4.340 0.000 0.000 0.252 189 L C 2.148 178.830 176.870 -0.313 0.000 1.195 189 L CA -0.050 54.677 54.840 -0.188 0.000 1.003 189 L CB 0.464 42.448 42.059 -0.125 0.000 1.328 189 L HN -0.143 nan 8.230 nan 0.000 0.540 190 G N -0.244 108.340 108.800 -0.360 0.000 2.475 190 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 190 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 190 G C 0.723 175.354 174.900 -0.448 0.000 1.125 190 G CA 0.856 45.605 45.100 -0.584 0.000 0.755 190 G HN 0.405 nan 8.290 nan 0.000 0.565 191 T N 0.704 115.094 114.554 -0.274 0.000 2.853 191 T HA 0.404 4.754 4.350 0.000 0.000 0.298 191 T C 1.699 176.217 174.700 -0.302 0.000 0.978 191 T CA -0.004 61.968 62.100 -0.214 0.000 1.152 191 T CB 1.646 70.436 68.868 -0.130 0.000 0.914 191 T HN 0.128 nan 8.240 nan 0.000 0.539 192 G N 2.068 110.696 108.800 -0.287 0.000 2.517 192 G HA2 -0.229 3.731 3.960 0.000 0.000 0.222 192 G HA3 -0.229 3.731 3.960 0.000 0.000 0.222 192 G C 0.775 175.510 174.900 -0.276 0.000 1.109 192 G CA 0.365 45.260 45.100 -0.343 0.000 0.746 192 G HN 0.918 nan 8.290 nan 0.000 0.576 193 Q N 0.073 119.773 119.800 -0.166 0.000 2.431 193 Q HA -0.139 4.201 4.340 0.000 0.000 0.349 193 Q C -0.059 175.914 176.000 -0.046 0.000 1.119 193 Q CA 0.148 55.900 55.803 -0.084 0.000 1.065 193 Q CB 0.222 28.953 28.738 -0.011 0.000 1.149 193 Q HN 0.496 nan 8.270 nan 0.000 0.403 194 W N 1.653 122.991 121.300 0.064 0.000 1.645 194 W HA 0.309 4.969 4.660 0.000 0.000 0.351 194 W C 0.205 176.761 176.519 0.062 0.000 1.568 194 W CA 0.279 57.687 57.345 0.104 0.000 1.739 194 W CB 0.433 30.011 29.460 0.196 0.000 1.441 194 W HN 0.805 nan 8.180 nan 0.000 0.759 195 A N 0.615 123.750 122.820 0.525 0.000 2.508 195 A HA 0.213 4.533 4.320 0.000 0.000 0.297 195 A C -0.886 176.967 177.584 0.449 0.000 1.036 195 A CA -0.778 51.471 52.037 0.354 0.000 0.957 195 A CB 0.476 19.558 19.000 0.137 0.000 1.428 195 A HN 0.571 nan 8.150 nan 0.000 0.393 196 Q N 1.002 120.890 119.800 0.147 0.000 2.428 196 Q HA 0.394 4.734 4.340 0.000 0.000 0.276 196 Q C 0.215 176.258 176.000 0.072 0.000 1.059 196 Q CA 1.129 56.697 55.803 -0.392 0.000 0.923 196 Q CB 0.192 28.583 28.738 -0.579 0.000 1.283 196 Q HN 1.417 nan 8.270 nan 0.000 0.447 197 F N 0.134 120.044 119.950 -0.065 0.000 2.975 197 F HA 0.694 5.221 4.527 0.000 0.000 0.366 197 F C -0.641 175.147 175.800 -0.020 0.000 1.071 197 F CA 0.071 58.070 58.000 -0.001 0.000 1.102 197 F CB 0.165 39.156 39.000 -0.014 0.000 1.176 197 F HN 0.494 nan 8.300 nan 0.000 0.545 198 A N 0.756 123.367 122.820 -0.348 0.000 2.588 198 A HA 0.675 4.995 4.320 0.000 0.000 0.290 198 A C -2.113 175.381 177.584 -0.149 0.000 1.136 198 A CA -1.113 50.835 52.037 -0.148 0.000 0.681 198 A CB 0.182 19.109 19.000 -0.122 0.000 1.282 198 A HN -0.181 nan 8.150 nan 0.000 0.421 199 P HA -0.184 nan 4.420 nan 0.000 0.217 199 P C 1.012 178.239 177.300 -0.121 0.000 1.162 199 P CA 2.760 65.834 63.100 -0.044 0.000 0.901 199 P CB 0.108 31.820 31.700 0.021 0.000 0.793 200 G N -2.930 105.774 108.800 -0.160 0.000 4.100 200 G HA2 0.300 4.260 3.960 0.000 0.000 0.294 200 G HA3 0.300 4.260 3.960 0.000 0.000 0.294 200 G C -0.870 173.756 174.900 -0.455 0.000 1.040 200 G CA -0.283 44.650 45.100 -0.279 0.000 0.829 200 G HN 0.105 nan 8.290 nan 0.000 0.505 201 W N -0.020 120.923 121.300 -0.595 0.000 2.689 201 W HA 0.771 5.431 4.660 0.000 0.000 0.340 201 W C -0.766 175.042 176.519 -1.185 0.000 1.060 201 W CA -0.880 55.929 57.345 -0.894 0.000 1.218 201 W CB 1.486 29.940 29.460 -1.677 0.000 1.410 201 W HN -0.020 nan 8.180 nan 0.000 0.528 202 Y N 1.027 121.218 120.300 -0.181 0.000 2.609 202 Y HA 0.606 5.156 4.550 0.000 0.000 0.342 202 Y C -0.403 176.020 175.900 0.872 0.000 1.058 202 Y CA -2.082 56.131 58.100 0.188 0.000 1.055 202 Y CB 1.677 39.900 38.460 -0.395 0.000 1.292 202 Y HN 0.464 nan 8.280 nan 0.000 0.476 203 Y N -1.562 119.373 120.300 1.057 0.000 2.656 203 Y HA 0.857 5.407 4.550 0.000 0.000 0.334 203 Y C -1.240 175.186 175.900 0.876 0.000 1.179 203 Y CA -1.140 57.596 58.100 1.059 0.000 1.050 203 Y CB 1.737 40.669 38.460 0.787 0.000 1.308 203 Y HN 0.608 nan 8.280 nan 0.000 0.456 204 S N 1.102 116.954 115.700 0.254 0.000 2.636 204 S HA 0.780 5.250 4.470 0.000 0.000 0.268 204 S C -1.658 172.871 174.600 -0.119 0.000 1.159 204 S CA -1.019 57.074 58.200 -0.178 0.000 0.815 204 S CB 1.710 64.796 63.200 -0.190 0.000 1.130 204 S HN 0.797 nan 8.310 nan 0.000 0.471 205 I N 0.594 120.816 120.570 -0.580 0.000 2.689 205 I HA 0.511 4.681 4.170 0.000 0.000 0.299 205 I C -1.711 173.535 176.117 -1.451 0.000 1.059 205 I CA -0.872 60.085 61.300 -0.572 0.000 1.055 205 I CB 1.878 39.815 38.000 -0.105 0.000 1.243 205 I HN 0.649 nan 8.210 nan 0.000 0.425 206 Y N 4.007 124.065 120.300 -0.403 0.000 2.338 206 Y HA 0.498 5.048 4.550 0.000 0.000 0.328 206 Y C 0.010 175.701 175.900 -0.348 0.000 0.965 206 Y CA -1.023 56.750 58.100 -0.545 0.000 1.208 206 Y CB 1.503 39.273 38.460 -1.149 0.000 1.132 206 Y HN 0.208 nan 8.280 nan 0.000 0.469 207 V N 1.670 121.387 119.914 -0.328 0.000 2.997 207 V HA 0.437 4.557 4.120 0.000 0.000 0.311 207 V C -0.008 176.004 176.094 -0.137 0.000 1.066 207 V CA -1.243 60.902 62.300 -0.259 0.000 1.039 207 V CB 1.616 32.999 31.823 -0.733 0.000 1.081 207 V HN 0.612 nan 8.190 nan 0.000 0.467 208 L N 4.209 125.397 121.223 -0.059 0.000 2.288 208 L HA 0.320 4.661 4.340 0.000 0.000 0.283 208 L C -1.165 175.701 176.870 -0.008 0.000 1.072 208 L CA -1.533 53.291 54.840 -0.027 0.000 0.862 208 L CB 1.067 43.103 42.059 -0.038 0.000 1.245 208 L HN 0.544 nan 8.230 nan 0.000 0.432 209 P HA -0.327 nan 4.420 nan 0.000 0.229 209 P C 0.759 178.086 177.300 0.044 0.000 0.791 209 P CA 1.933 65.062 63.100 0.049 0.000 1.091 209 P CB -0.020 31.689 31.700 0.016 0.000 0.715 210 N N -1.029 117.680 118.700 0.015 0.000 2.165 210 N HA -0.185 4.555 4.740 0.000 0.000 0.198 210 N C 1.714 177.196 175.510 -0.048 0.000 0.999 210 N CA 2.650 55.703 53.050 0.004 0.000 0.893 210 N CB -1.517 36.993 38.487 0.040 0.000 1.025 210 N HN 0.369 nan 8.380 nan 0.000 0.456 211 T N -0.846 113.623 114.554 -0.142 0.000 2.814 211 T HA -0.072 4.278 4.350 0.000 0.000 0.254 211 T C 1.503 176.053 174.700 -0.250 0.000 1.037 211 T CA 0.624 62.475 62.100 -0.415 0.000 1.143 211 T CB -0.549 67.750 68.868 -0.949 0.000 0.866 211 T HN 0.279 nan 8.240 nan 0.000 0.431 212 Y N 2.600 122.752 120.300 -0.247 0.000 2.241 212 Y HA -0.132 4.418 4.550 0.000 0.000 0.286 212 Y C 2.393 178.216 175.900 -0.128 0.000 1.166 212 Y CA 0.626 58.639 58.100 -0.144 0.000 1.203 212 Y CB -0.766 37.626 38.460 -0.113 0.000 0.977 212 Y HN 0.192 nan 8.280 nan 0.000 0.529 213 A N 0.586 123.327 122.820 -0.133 0.000 1.940 213 A HA -0.165 4.155 4.320 0.000 0.000 0.219 213 A C 1.648 179.121 177.584 -0.185 0.000 1.176 213 A CA 1.240 53.171 52.037 -0.177 0.000 0.631 213 A CB -0.861 18.094 19.000 -0.076 0.000 0.814 213 A HN 0.447 nan 8.150 nan 0.000 0.446 214 M N 1.510 121.023 119.600 -0.146 0.000 3.183 214 M HA 0.101 4.581 4.480 0.000 0.000 0.266 214 M C 0.476 176.701 176.300 -0.125 0.000 1.649 214 M CA -0.176 55.063 55.300 -0.102 0.000 1.654 214 M CB -0.698 31.866 32.600 -0.061 0.000 1.479 214 M HN 0.391 nan 8.290 nan 0.000 0.499 215 A N 3.512 126.247 122.820 -0.141 0.000 2.537 215 A HA 0.033 4.353 4.320 0.000 0.000 0.260 215 A C 0.560 178.087 177.584 -0.095 0.000 1.082 215 A CA -0.080 51.868 52.037 -0.149 0.000 0.765 215 A CB -0.053 18.863 19.000 -0.139 0.000 1.019 215 A HN 0.668 nan 8.150 nan 0.000 0.507 216 E N 2.719 122.870 120.200 -0.082 0.000 1.833 216 E HA 0.125 4.475 4.350 0.000 0.000 0.258 216 E C -0.248 176.321 176.600 -0.052 0.000 1.257 216 E CA 0.223 56.593 56.400 -0.051 0.000 1.003 216 E CB -0.447 29.250 29.700 -0.006 0.000 1.068 216 E HN 0.608 nan 8.360 nan 0.000 0.422 217 I N 1.892 122.431 120.570 -0.051 0.000 7.772 217 I HA -0.320 3.850 4.170 0.000 0.000 0.126 217 I C 0.932 177.018 176.117 -0.052 0.000 1.801 217 I CA 0.512 61.786 61.300 -0.044 0.000 2.133 217 I CB -1.005 36.974 38.000 -0.034 0.000 3.629 217 I HN 0.651 nan 8.210 nan 0.000 0.198 218 G N 2.626 111.392 108.800 -0.056 0.000 2.535 218 G HA2 0.133 4.093 3.960 0.000 0.000 0.200 218 G HA3 0.133 4.093 3.960 0.000 0.000 0.200 218 G C 0.696 175.567 174.900 -0.050 0.000 1.388 218 G CA 1.080 46.143 45.100 -0.062 0.000 0.720 218 G HN 0.511 nan 8.290 nan 0.000 0.598 219 D N -1.478 118.893 120.400 -0.047 0.000 2.135 219 D HA 0.121 4.761 4.640 0.000 0.000 0.318 219 D C -0.028 176.253 176.300 -0.032 0.000 1.109 219 D CA 0.023 54.001 54.000 -0.037 0.000 0.952 219 D CB 1.018 41.795 40.800 -0.039 0.000 1.816 219 D HN -0.048 nan 8.370 nan 0.000 0.528 220 R N 1.085 121.561 120.500 -0.039 0.000 2.275 220 R HA 0.410 4.750 4.340 0.000 0.000 0.326 220 R C -0.533 175.746 176.300 -0.036 0.000 0.973 220 R CA -0.190 55.891 56.100 -0.032 0.000 0.854 220 R CB 0.985 31.264 30.300 -0.036 0.000 1.156 220 R HN 0.005 nan 8.270 nan 0.000 0.487 221 T N 1.240 115.780 114.554 -0.024 0.000 2.928 221 T HA 0.490 4.840 4.350 0.000 0.000 0.296 221 T C -1.188 173.507 174.700 -0.007 0.000 1.000 221 T CA -0.601 61.484 62.100 -0.024 0.000 0.989 221 T CB 1.242 70.091 68.868 -0.030 0.000 1.005 221 T HN 0.365 nan 8.240 nan 0.000 0.442 222 D N 1.606 122.005 120.400 -0.001 0.000 2.493 222 D HA 0.839 5.479 4.640 0.000 0.000 0.239 222 D C -1.058 175.248 176.300 0.009 0.000 1.049 222 D CA -0.264 53.749 54.000 0.021 0.000 1.008 222 D CB 2.203 43.033 40.800 0.051 0.000 1.398 222 D HN 0.520 nan 8.370 nan 0.000 0.513 223 S N -0.675 115.036 115.700 0.020 0.000 2.565 223 S HA 0.638 5.108 4.470 0.000 0.000 0.269 223 S C -1.997 172.600 174.600 -0.005 0.000 1.153 223 S CA -0.599 57.593 58.200 -0.013 0.000 0.835 223 S CB 1.186 64.365 63.200 -0.035 0.000 1.122 223 S HN 0.136 nan 8.310 nan 0.000 0.462 224 V N 3.143 123.012 119.914 -0.076 0.000 2.483 224 V HA 0.340 4.461 4.120 0.000 0.000 0.297 224 V C 1.263 177.294 176.094 -0.104 0.000 1.027 224 V CA -0.291 61.957 62.300 -0.088 0.000 0.855 224 V CB 1.455 33.136 31.823 -0.236 0.000 0.995 224 V HN 1.094 nan 8.190 nan 0.000 0.424 225 T N 1.127 115.660 114.554 -0.034 0.000 3.007 225 T HA 0.006 4.356 4.350 0.000 0.000 0.270 225 T C 0.403 175.075 174.700 -0.047 0.000 1.107 225 T CA 0.990 63.070 62.100 -0.032 0.000 1.118 225 T CB -0.188 68.684 68.868 0.008 0.000 0.889 225 T HN 0.898 nan 8.240 nan 0.000 0.506 226 Q N -0.387 119.386 119.800 -0.044 0.000 2.994 226 Q HA 0.507 4.847 4.340 0.000 0.000 0.287 226 Q C -1.479 174.553 176.000 0.053 0.000 0.916 226 Q CA -1.407 54.378 55.803 -0.031 0.000 0.806 226 Q CB 0.547 29.246 28.738 -0.065 0.000 1.711 226 Q HN 0.387 nan 8.270 nan 0.000 0.477 227 F N -1.282 118.563 119.950 -0.175 0.000 3.169 227 F HA 0.883 5.410 4.527 0.000 0.000 0.325 227 F C -2.103 173.655 175.800 -0.070 0.000 1.175 227 F CA -1.057 56.881 58.000 -0.104 0.000 0.887 227 F CB 1.327 40.194 39.000 -0.221 0.000 1.457 227 F HN 0.848 nan 8.300 nan 0.000 0.496 228 R N 0.554 121.020 120.500 -0.057 0.000 2.678 228 R HA 0.362 4.702 4.340 0.000 0.000 0.267 228 R C -2.096 174.206 176.300 0.003 0.000 1.173 228 R CA -1.015 54.924 56.100 -0.269 0.000 1.061 228 R CB 0.860 31.014 30.300 -0.243 0.000 1.262 228 R HN 0.441 nan 8.270 nan 0.000 0.427 229 K N 2.119 122.458 120.400 -0.102 0.000 2.447 229 K HA 0.064 4.384 4.320 0.000 0.000 0.281 229 K C 0.539 176.789 176.600 -0.584 0.000 1.031 229 K CA -0.134 55.970 56.287 -0.306 0.000 1.019 229 K CB 1.293 33.398 32.500 -0.658 0.000 0.918 229 K HN 0.556 nan 8.250 nan 0.000 0.476 230 V N 4.174 123.862 119.914 -0.376 0.000 3.541 230 V HA -0.044 4.076 4.120 0.000 0.000 0.267 230 V C -0.582 175.557 176.094 0.076 0.000 1.213 230 V CA 0.661 62.851 62.300 -0.182 0.000 1.149 230 V CB -0.973 30.725 31.823 -0.209 0.000 0.822 230 V HN 0.789 nan 8.190 nan 0.000 0.462 231 Y N -2.742 117.632 120.300 0.124 0.000 2.974 231 Y HA 0.481 5.031 4.550 0.000 0.000 0.415 231 Y C -1.211 174.817 175.900 0.213 0.000 1.094 231 Y CA -2.433 55.915 58.100 0.413 0.000 1.416 231 Y CB 0.324 39.042 38.460 0.430 0.000 1.604 231 Y HN -0.095 nan 8.280 nan 0.000 0.532 232 K N 0.804 121.620 120.400 0.693 0.000 2.550 232 K HA 0.746 5.066 4.320 0.000 0.000 0.252 232 K C -1.272 175.609 176.600 0.469 0.000 0.943 232 K CA -0.449 56.158 56.287 0.533 0.000 0.806 232 K CB 2.198 34.950 32.500 0.419 0.000 1.289 232 K HN 1.422 nan 8.250 nan 0.000 0.435 233 G N 4.677 113.692 108.800 0.357 0.000 2.760 233 G HA2 0.540 4.500 3.960 0.000 0.000 0.285 233 G HA3 0.540 4.500 3.960 0.000 0.000 0.285 233 G C -1.100 173.944 174.900 0.241 0.000 1.496 233 G CA -0.441 44.813 45.100 0.258 0.000 1.026 233 G HN 0.470 nan 8.290 nan 0.000 0.536 234 I N 1.369 122.000 120.570 0.103 0.000 2.530 234 I HA 0.574 4.744 4.170 0.000 0.000 0.297 234 I C -0.196 175.849 176.117 -0.121 0.000 1.011 234 I CA -0.839 60.380 61.300 -0.134 0.000 1.107 234 I CB 2.808 40.551 38.000 -0.428 0.000 1.285 234 I HN 0.410 nan 8.210 nan 0.000 0.436 235 T N 5.565 119.964 114.554 -0.259 0.000 2.890 235 T HA 0.492 4.843 4.350 0.000 0.000 0.295 235 T C -0.990 173.455 174.700 -0.425 0.000 0.993 235 T CA -0.384 61.633 62.100 -0.138 0.000 0.979 235 T CB 0.206 69.044 68.868 -0.050 0.000 0.967 235 T HN 0.229 nan 8.240 nan 0.000 0.441 236 F N 3.825 123.643 119.950 -0.220 0.000 2.451 236 F HA 0.347 4.874 4.527 0.000 0.000 0.356 236 F C 1.074 176.777 175.800 -0.162 0.000 1.178 236 F CA -0.890 56.933 58.000 -0.294 0.000 1.210 236 F CB 0.180 38.984 39.000 -0.326 0.000 1.504 236 F HN 0.529 nan 8.300 nan 0.000 0.598 237 E N 2.141 122.317 120.200 -0.040 0.000 2.376 237 E HA -0.052 4.298 4.350 0.000 0.000 0.266 237 E C -0.403 176.239 176.600 0.070 0.000 1.009 237 E CA -0.289 56.118 56.400 0.012 0.000 0.902 237 E CB 0.550 30.227 29.700 -0.038 0.000 0.972 237 E HN 0.404 nan 8.360 nan 0.000 0.439 238 F N 4.718 124.650 119.950 -0.030 0.000 2.652 238 F HA 0.008 4.535 4.527 0.000 0.000 0.352 238 F C 0.416 176.212 175.800 -0.007 0.000 1.259 238 F CA -0.594 57.392 58.000 -0.023 0.000 1.249 238 F CB -0.464 38.589 39.000 0.088 0.000 1.628 238 F HN 0.339 nan 8.300 nan 0.000 0.654 239 N N 4.185 122.758 118.700 -0.212 0.000 2.466 239 N HA 0.346 5.086 4.740 0.000 0.000 0.263 239 N C -1.139 174.134 175.510 -0.396 0.000 1.178 239 N CA 0.128 53.038 53.050 -0.234 0.000 0.983 239 N CB 0.116 38.533 38.487 -0.118 0.000 1.331 239 N HN 0.552 nan 8.380 nan 0.000 0.500 240 A N 4.515 127.013 122.820 -0.537 0.000 2.427 240 A HA 0.475 4.795 4.320 0.000 0.000 0.298 240 A C -2.601 174.838 177.584 -0.241 0.000 1.036 240 A CA -1.282 50.456 52.037 -0.497 0.000 0.701 240 A CB 1.476 19.883 19.000 -0.988 0.000 1.250 240 A HN 0.492 nan 8.150 nan 0.000 0.412 241 P HA 0.007 nan 4.420 nan 0.000 0.264 241 P C 0.795 178.082 177.300 -0.021 0.000 1.183 241 P CA 0.490 63.557 63.100 -0.054 0.000 0.763 241 P CB 0.498 32.180 31.700 -0.030 0.000 0.807 242 T N 2.580 117.139 114.554 0.007 0.000 2.822 242 T HA -0.189 4.161 4.350 0.000 0.000 0.270 242 T C 1.698 176.436 174.700 0.062 0.000 1.064 242 T CA 1.388 63.519 62.100 0.051 0.000 1.131 242 T CB -0.513 68.383 68.868 0.048 0.000 0.858 242 T HN 0.397 nan 8.240 nan 0.000 0.483 243 L N 2.544 123.791 121.223 0.041 0.000 1.965 243 L HA -0.085 4.255 4.340 0.000 0.000 0.226 243 L C 1.489 178.399 176.870 0.068 0.000 1.083 243 L CA 1.873 56.740 54.840 0.045 0.000 0.790 243 L CB -0.891 41.185 42.059 0.028 0.000 0.898 243 L HN 0.527 nan 8.230 nan 0.000 0.439 244 I N -2.136 118.477 120.570 0.071 0.000 3.478 244 I HA 0.242 4.412 4.170 0.000 0.000 0.347 244 I C 0.167 176.379 176.117 0.158 0.000 1.443 244 I CA -0.161 61.203 61.300 0.106 0.000 1.097 244 I CB -0.695 37.359 38.000 0.090 0.000 1.598 244 I HN 0.260 nan 8.210 nan 0.000 0.474 245 D N 3.885 124.391 120.400 0.176 0.000 2.745 245 D HA 0.058 4.698 4.640 0.000 0.000 0.229 245 D C -0.249 176.315 176.300 0.441 0.000 1.088 245 D CA 0.190 54.370 54.000 0.299 0.000 1.054 245 D CB 0.359 41.303 40.800 0.240 0.000 1.132 245 D HN 0.667 nan 8.370 nan 0.000 0.464 246 Q N -0.279 119.807 119.800 0.477 0.000 2.528 246 Q HA 0.802 5.142 4.340 0.000 0.000 0.289 246 Q C 0.086 176.339 176.000 0.422 0.000 1.091 246 Q CA -0.999 55.033 55.803 0.382 0.000 0.797 246 Q CB 1.673 30.570 28.738 0.265 0.000 1.466 246 Q HN 0.129 nan 8.270 nan 0.000 0.436 247 G N -0.917 108.083 108.800 0.334 0.000 2.462 247 G HA2 0.210 4.170 3.960 0.000 0.000 0.685 247 G HA3 0.210 4.170 3.960 0.000 0.000 0.685 247 G C -1.580 173.551 174.900 0.386 0.000 1.295 247 G CA -0.520 44.812 45.100 0.387 0.000 0.941 247 G HN 1.169 nan 8.290 nan 0.000 0.554 248 W N -1.543 119.881 121.300 0.206 0.000 3.098 248 W HA 0.886 5.546 4.660 0.000 0.000 0.367 248 W C -1.004 175.659 176.519 0.239 0.000 1.163 248 W CA -1.081 56.342 57.345 0.129 0.000 1.113 248 W CB 0.602 30.060 29.460 -0.002 0.000 1.501 248 W HN 1.444 nan 8.180 nan 0.000 0.598 249 W N -0.336 120.934 121.300 -0.051 0.000 3.059 249 W HA 0.615 5.275 4.660 0.000 0.000 0.329 249 W C -2.594 173.822 176.519 -0.172 0.000 1.246 249 W CA -1.381 55.666 57.345 -0.497 0.000 1.190 249 W CB 0.377 29.214 29.460 -1.038 0.000 1.423 249 W HN 0.283 nan 8.180 nan 0.000 0.571 250 V N 1.711 121.608 119.914 -0.028 0.000 2.569 250 V HA 0.736 4.856 4.120 0.000 0.000 0.301 250 V C 0.181 176.384 176.094 0.183 0.000 1.044 250 V CA -0.333 61.986 62.300 0.032 0.000 0.874 250 V CB 1.294 33.168 31.823 0.084 0.000 1.002 250 V HN 0.861 nan 8.190 nan 0.000 0.424 251 G N 2.573 111.569 108.800 0.326 0.000 2.453 251 G HA2 0.944 4.904 3.960 0.000 0.000 0.323 251 G HA3 0.944 4.904 3.960 0.000 0.000 0.323 251 G C -0.822 174.164 174.900 0.145 0.000 1.198 251 G CA -0.233 44.996 45.100 0.215 0.000 0.959 251 G HN 1.348 nan 8.290 nan 0.000 0.482 252 A N 1.066 123.876 122.820 -0.017 0.000 2.599 252 A HA 0.665 4.985 4.320 0.000 0.000 0.294 252 A C -1.398 176.128 177.584 -0.097 0.000 1.055 252 A CA -0.744 51.311 52.037 0.032 0.000 0.683 252 A CB 1.052 20.113 19.000 0.102 0.000 1.278 252 A HN 0.750 nan 8.150 nan 0.000 0.412 253 H N 0.584 119.669 119.070 0.025 0.000 2.458 253 H HA 0.664 5.220 4.556 0.000 0.000 0.330 253 H C -0.969 174.425 175.328 0.110 0.000 1.111 253 H CA 0.039 56.120 56.048 0.056 0.000 1.245 253 H CB 1.426 31.223 29.762 0.058 0.000 1.456 253 H HN 0.514 nan 8.280 nan 0.000 0.488 254 I N 5.313 126.037 120.570 0.257 0.000 2.500 254 I HA 0.198 4.368 4.170 0.000 0.000 0.286 254 I C -2.533 173.759 176.117 0.292 0.000 1.063 254 I CA -2.010 59.430 61.300 0.233 0.000 1.062 254 I CB 2.874 40.983 38.000 0.180 0.000 1.223 254 I HN 0.281 nan 8.210 nan 0.000 0.435 255 P HA 0.287 nan 4.420 nan 0.000 0.280 255 P C -0.934 176.547 177.300 0.302 0.000 1.244 255 P CA -0.237 63.035 63.100 0.286 0.000 0.784 255 P CB 2.078 33.903 31.700 0.209 0.000 0.913 256 V N 4.083 124.235 119.914 0.397 0.000 2.733 256 V HA 0.326 4.446 4.120 0.000 0.000 0.306 256 V C 0.136 176.511 176.094 0.469 0.000 1.084 256 V CA -0.691 61.837 62.300 0.380 0.000 0.905 256 V CB 2.304 34.354 31.823 0.378 0.000 1.010 256 V HN 0.465 nan 8.190 nan 0.000 0.424 257 K N 5.231 125.807 120.400 0.292 0.000 2.118 257 K HA 0.670 4.990 4.320 0.000 0.000 0.254 257 K C -2.617 174.048 176.600 0.109 0.000 0.961 257 K CA -1.570 54.879 56.287 0.270 0.000 0.876 257 K CB 2.342 34.956 32.500 0.190 0.000 1.077 257 K HN 0.440 nan 8.250 nan 0.000 0.440 258 P HA 0.234 nan 4.420 nan 0.000 0.287 258 P C -1.614 175.686 177.300 -0.001 0.000 1.290 258 P CA -0.716 62.333 63.100 -0.087 0.000 0.889 258 P CB 1.651 33.224 31.700 -0.212 0.000 1.190 259 Q N -0.126 119.664 119.800 -0.016 0.000 2.365 259 Q HA 0.423 4.763 4.340 0.000 0.000 0.269 259 Q C -0.963 175.018 176.000 -0.032 0.000 1.061 259 Q CA -0.395 55.407 55.803 -0.002 0.000 0.816 259 Q CB 1.453 30.198 28.738 0.011 0.000 1.325 259 Q HN 0.230 nan 8.270 nan 0.000 0.446 260 S N 3.338 119.022 115.700 -0.026 0.000 3.036 260 S HA 0.165 4.635 4.470 0.000 0.000 0.301 260 S C -0.709 173.863 174.600 -0.047 0.000 1.205 260 S CA -0.273 57.899 58.200 -0.047 0.000 0.999 260 S CB -0.200 62.981 63.200 -0.031 0.000 1.337 260 S HN 0.527 nan 8.310 nan 0.000 0.515 261 E N 2.359 122.523 120.200 -0.059 0.000 2.180 261 E HA 0.130 4.480 4.350 0.000 0.000 0.283 261 E C -0.134 176.430 176.600 -0.059 0.000 1.061 261 E CA -0.060 56.309 56.400 -0.051 0.000 0.861 261 E CB 0.608 30.278 29.700 -0.049 0.000 1.056 261 E HN 0.352 nan 8.360 nan 0.000 0.407 262 T N 3.973 118.501 114.554 -0.044 0.000 2.897 262 T HA 0.296 4.646 4.350 0.000 0.000 0.294 262 T C 0.497 175.174 174.700 -0.039 0.000 1.004 262 T CA -0.307 61.768 62.100 -0.041 0.000 1.106 262 T CB 0.506 69.359 68.868 -0.024 0.000 0.949 262 T HN 0.364 nan 8.240 nan 0.000 0.520 263 I N 4.313 124.859 120.570 -0.040 0.000 2.395 263 I HA 0.234 4.404 4.170 0.000 0.000 0.282 263 I C -2.209 173.898 176.117 -0.016 0.000 1.107 263 I CA -2.352 58.928 61.300 -0.034 0.000 1.210 263 I CB 0.767 38.739 38.000 -0.046 0.000 1.456 263 I HN 0.307 nan 8.210 nan 0.000 0.504 264 P HA -0.171 nan 4.420 nan 0.000 0.265 264 P C -0.295 177.012 177.300 0.012 0.000 1.151 264 P CA 0.446 63.547 63.100 0.002 0.000 0.755 264 P CB 0.492 32.194 31.700 0.002 0.000 0.756 265 A N 2.912 125.743 122.820 0.019 0.000 2.331 265 A HA 0.668 4.988 4.320 0.000 0.000 0.283 265 A C 0.133 177.736 177.584 0.032 0.000 1.142 265 A CA 0.271 52.326 52.037 0.030 0.000 0.812 265 A CB 0.442 19.461 19.000 0.032 0.000 1.074 265 A HN 0.575 nan 8.150 nan 0.000 0.497 266 A N 1.379 124.224 122.820 0.042 0.000 2.486 266 A HA 0.817 5.137 4.320 0.000 0.000 0.289 266 A C 0.180 177.794 177.584 0.051 0.000 1.176 266 A CA -0.486 51.579 52.037 0.047 0.000 0.757 266 A CB 0.900 19.937 19.000 0.060 0.000 1.337 266 A HN 0.711 nan 8.150 nan 0.000 0.423 267 E N -0.113 120.114 120.200 0.045 0.000 2.933 267 E HA 0.150 4.500 4.350 0.000 0.000 0.301 267 E C 1.799 178.413 176.600 0.024 0.000 0.836 267 E CA -0.037 56.380 56.400 0.029 0.000 1.213 267 E CB -0.604 29.098 29.700 0.004 0.000 2.349 267 E HN 0.662 nan 8.360 nan 0.000 0.558 268 R N -0.383 120.091 120.500 -0.044 0.000 2.103 268 R HA -0.107 4.233 4.340 0.000 0.000 0.242 268 R C -0.026 176.219 176.300 -0.092 0.000 1.142 268 R CA 1.270 57.268 56.100 -0.171 0.000 0.960 268 R CB 0.072 30.160 30.300 -0.355 0.000 0.858 268 R HN -0.027 nan 8.270 nan 0.000 0.439 269 F N -1.190 118.772 119.950 0.021 0.000 2.603 269 F HA 0.381 4.908 4.527 0.000 0.000 0.317 269 F C -0.463 175.348 175.800 0.018 0.000 1.066 269 F CA -1.582 56.432 58.000 0.022 0.000 0.941 269 F CB 2.166 41.178 39.000 0.021 0.000 1.291 269 F HN -0.056 nan 8.300 nan 0.000 0.472 270 S N 0.638 116.472 115.700 0.223 0.000 2.619 270 S HA 0.863 5.333 4.470 0.000 0.000 0.280 270 S C -0.784 173.832 174.600 0.026 0.000 1.150 270 S CA -0.867 57.393 58.200 0.100 0.000 0.978 270 S CB 1.473 64.720 63.200 0.078 0.000 1.041 270 S HN 0.883 nan 8.310 nan 0.000 0.485 271 A N 2.340 125.167 122.820 0.011 0.000 2.366 271 A HA 0.871 5.191 4.320 0.000 0.000 0.249 271 A C 0.841 178.400 177.584 -0.042 0.000 1.084 271 A CA 0.245 52.269 52.037 -0.023 0.000 0.794 271 A CB -0.092 18.900 19.000 -0.014 0.000 1.034 271 A HN 1.781 nan 8.150 nan 0.000 0.491 272 G N -0.967 107.801 108.800 -0.053 0.000 2.677 272 G HA2 0.678 4.638 3.960 0.000 0.000 0.283 272 G HA3 0.678 4.638 3.960 0.000 0.000 0.283 272 G C -0.828 174.043 174.900 -0.049 0.000 1.221 272 G CA 0.310 45.370 45.100 -0.066 0.000 0.851 272 G HN 1.937 nan 8.290 nan 0.000 0.504 273 S N -1.449 114.227 115.700 -0.040 0.000 2.548 273 S HA 0.545 5.015 4.470 0.000 0.000 0.278 273 S C -0.856 173.765 174.600 0.034 0.000 1.150 273 S CA -0.497 57.697 58.200 -0.009 0.000 0.907 273 S CB 1.522 64.714 63.200 -0.012 0.000 1.108 273 S HN 1.039 nan 8.310 nan 0.000 0.459 274 M N 4.071 123.716 119.600 0.076 0.000 2.080 274 M HA 0.353 4.833 4.480 0.000 0.000 0.350 274 M C -0.043 176.387 176.300 0.216 0.000 1.143 274 M CA -0.141 55.273 55.300 0.189 0.000 1.064 274 M CB 0.480 33.217 32.600 0.230 0.000 1.429 274 M HN 0.966 nan 8.290 nan 0.000 0.418 275 T N 1.773 116.446 114.554 0.199 0.000 2.909 275 T HA 0.621 4.971 4.350 0.000 0.000 0.289 275 T C -0.349 174.500 174.700 0.248 0.000 1.005 275 T CA -0.698 61.495 62.100 0.155 0.000 1.084 275 T CB 1.393 70.300 68.868 0.066 0.000 0.975 275 T HN 0.475 nan 8.240 nan 0.000 0.509 276 V N 2.852 122.833 119.914 0.111 0.000 2.637 276 V HA 0.356 4.476 4.120 0.000 0.000 0.274 276 V C 0.207 176.242 176.094 -0.099 0.000 1.004 276 V CA -0.995 61.317 62.300 0.021 0.000 0.894 276 V CB 0.996 32.721 31.823 -0.164 0.000 1.046 276 V HN 1.239 nan 8.190 nan 0.000 0.467 277 S N 2.778 118.453 115.700 -0.042 0.000 2.617 277 S HA 0.910 5.380 4.470 0.000 0.000 0.269 277 S C 0.001 174.565 174.600 -0.059 0.000 1.292 277 S CA -0.021 58.153 58.200 -0.043 0.000 1.010 277 S CB 2.208 65.407 63.200 -0.001 0.000 0.944 277 S HN 1.572 nan 8.310 nan 0.000 0.536 278 A N 1.271 124.060 122.820 -0.051 0.000 2.488 278 A HA 0.835 5.155 4.320 0.000 0.000 0.298 278 A C -0.500 177.073 177.584 -0.019 0.000 1.044 278 A CA -0.588 51.425 52.037 -0.040 0.000 0.693 278 A CB 1.345 20.302 19.000 -0.072 0.000 1.272 278 A HN 1.954 nan 8.150 nan 0.000 0.402 279 S N 1.795 117.491 115.700 -0.007 0.000 2.579 279 S HA 0.370 4.840 4.470 0.000 0.000 0.290 279 S C -0.995 173.600 174.600 -0.007 0.000 1.123 279 S CA -1.137 57.053 58.200 -0.016 0.000 0.894 279 S CB 0.338 63.515 63.200 -0.038 0.000 1.095 279 S HN 0.742 nan 8.310 nan 0.000 0.450 280 N N 1.359 120.052 118.700 -0.012 0.000 2.073 280 N HA 0.065 4.805 4.740 0.000 0.000 0.276 280 N C 0.171 175.680 175.510 -0.002 0.000 1.253 280 N CA 1.018 54.066 53.050 -0.004 0.000 0.815 280 N CB 0.170 38.643 38.487 -0.023 0.000 1.051 280 N HN 1.052 nan 8.380 nan 0.000 0.477 281 A N 3.940 126.774 122.820 0.023 0.000 2.621 281 A HA 0.241 4.561 4.320 0.000 0.000 0.329 281 A C 0.585 178.165 177.584 -0.007 0.000 1.458 281 A CA -0.762 51.298 52.037 0.037 0.000 1.052 281 A CB -0.262 18.791 19.000 0.089 0.000 1.142 281 A HN 0.536 nan 8.150 nan 0.000 0.523 282 I N 1.894 122.398 120.570 -0.110 0.000 3.396 282 I HA -0.234 3.936 4.170 0.000 0.000 0.356 282 I C 0.427 176.324 176.117 -0.367 0.000 1.198 282 I CA 1.292 62.349 61.300 -0.406 0.000 1.512 282 I CB -1.845 35.783 38.000 -0.619 0.000 1.283 282 I HN 0.819 nan 8.210 nan 0.000 0.480 283 F N 1.872 121.840 119.950 0.029 0.000 2.667 283 F HA -0.202 4.325 4.527 0.000 0.000 0.283 283 F C 0.610 176.430 175.800 0.033 0.000 0.718 283 F CA 0.176 58.191 58.000 0.025 0.000 1.580 283 F CB -1.598 37.417 39.000 0.024 0.000 1.831 283 F HN 0.623 nan 8.300 nan 0.000 0.364 284 Q N -0.410 119.476 119.800 0.143 0.000 2.345 284 Q HA 0.431 4.771 4.340 0.000 0.000 0.275 284 Q C -2.580 173.464 176.000 0.073 0.000 1.063 284 Q CA -2.014 53.857 55.803 0.112 0.000 0.819 284 Q CB 2.358 31.163 28.738 0.112 0.000 1.356 284 Q HN -0.271 nan 8.270 nan 0.000 0.418 285 P HA -0.126 nan 4.420 nan 0.000 0.247 285 P C 0.333 177.657 177.300 0.040 0.000 1.141 285 P CA 0.671 63.800 63.100 0.048 0.000 0.858 285 P CB 0.401 32.129 31.700 0.047 0.000 0.804 286 S N 4.367 120.084 115.700 0.027 0.000 2.407 286 S HA -0.278 4.192 4.470 0.000 0.000 0.244 286 S C 1.753 176.367 174.600 0.022 0.000 1.077 286 S CA 2.150 60.360 58.200 0.017 0.000 1.159 286 S CB -0.569 62.634 63.200 0.006 0.000 1.045 286 S HN 0.582 nan 8.310 nan 0.000 0.438 287 N N -0.301 118.413 118.700 0.023 0.000 2.354 287 N HA -0.045 4.695 4.740 0.000 0.000 0.179 287 N C 1.622 177.151 175.510 0.033 0.000 1.021 287 N CA 1.538 54.603 53.050 0.025 0.000 0.887 287 N CB -1.103 37.396 38.487 0.021 0.000 0.974 287 N HN 0.428 nan 8.380 nan 0.000 0.437 288 T N 1.804 116.381 114.554 0.038 0.000 2.671 288 T HA 0.054 4.404 4.350 0.000 0.000 0.250 288 T C 1.187 175.924 174.700 0.063 0.000 1.068 288 T CA 0.770 62.898 62.100 0.047 0.000 1.177 288 T CB -0.208 68.688 68.868 0.047 0.000 0.876 288 T HN -0.005 nan 8.240 nan 0.000 0.405 289 V N 0.821 120.778 119.914 0.072 0.000 3.170 289 V HA 0.756 4.876 4.120 0.000 0.000 0.309 289 V C -0.086 176.061 176.094 0.088 0.000 1.071 289 V CA -0.938 61.420 62.300 0.097 0.000 1.063 289 V CB 1.068 32.956 31.823 0.109 0.000 1.123 289 V HN 0.626 nan 8.190 nan 0.000 0.464 290 A N 1.774 124.660 122.820 0.110 0.000 2.512 290 A HA 0.597 4.917 4.320 0.000 0.000 0.294 290 A C -0.710 176.932 177.584 0.097 0.000 1.054 290 A CA -0.686 51.402 52.037 0.084 0.000 0.756 290 A CB 1.319 20.361 19.000 0.069 0.000 1.293 290 A HN 0.689 nan 8.150 nan 0.000 0.395 291 R N 2.096 122.638 120.500 0.070 0.000 2.221 291 R HA 0.597 4.937 4.340 0.000 0.000 0.327 291 R C -1.047 175.273 176.300 0.033 0.000 1.033 291 R CA -0.202 55.937 56.100 0.064 0.000 0.887 291 R CB 0.333 30.672 30.300 0.065 0.000 1.057 291 R HN 0.984 nan 8.270 nan 0.000 0.455 292 I N 1.022 121.599 120.570 0.011 0.000 2.769 292 I HA 0.398 4.568 4.170 0.000 0.000 0.298 292 I C -1.378 174.715 176.117 -0.039 0.000 1.128 292 I CA -0.799 60.497 61.300 -0.007 0.000 1.031 292 I CB 2.458 40.463 38.000 0.008 0.000 1.235 292 I HN 0.162 nan 8.210 nan 0.000 0.423 293 V N 5.174 125.070 119.914 -0.031 0.000 2.305 293 V HA 0.340 4.460 4.120 0.000 0.000 0.275 293 V C -1.092 174.976 176.094 -0.043 0.000 1.020 293 V CA -0.187 62.076 62.300 -0.063 0.000 0.811 293 V CB 0.495 32.294 31.823 -0.040 0.000 1.031 293 V HN 0.901 nan 8.190 nan 0.000 0.439 294 W N 5.868 126.983 121.300 -0.309 0.000 2.496 294 W HA 0.785 5.445 4.660 0.000 0.000 0.327 294 W C -0.049 176.274 176.519 -0.326 0.000 1.086 294 W CA -0.455 56.707 57.345 -0.304 0.000 1.222 294 W CB 1.624 30.820 29.460 -0.441 0.000 1.304 294 W HN 0.517 nan 8.180 nan 0.000 0.547 295 S N 4.697 120.154 115.700 -0.406 0.000 2.661 295 S HA 0.764 5.234 4.470 0.000 0.000 0.285 295 S C -1.040 173.473 174.600 -0.144 0.000 1.138 295 S CA -1.078 56.772 58.200 -0.583 0.000 0.855 295 S CB 1.961 64.950 63.200 -0.351 0.000 1.136 295 S HN 0.499 nan 8.310 nan 0.000 0.484 296 I N 2.011 122.577 120.570 -0.006 0.000 2.560 296 I HA 0.180 4.350 4.170 0.000 0.000 0.278 296 I C 1.226 177.366 176.117 0.039 0.000 1.089 296 I CA -0.701 60.693 61.300 0.158 0.000 1.086 296 I CB 1.502 39.709 38.000 0.345 0.000 1.202 296 I HN 0.961 nan 8.210 nan 0.000 0.471 297 T N 3.646 118.142 114.554 -0.095 0.000 2.276 297 T HA -0.176 4.174 4.350 0.000 0.000 0.218 297 T C -0.866 173.556 174.700 -0.464 0.000 1.547 297 T CA 1.753 63.655 62.100 -0.330 0.000 1.225 297 T CB -1.913 66.777 68.868 -0.298 0.000 0.864 297 T HN 0.296 nan 8.240 nan 0.000 0.391 298 P HA 0.083 nan 4.420 nan 0.000 0.218 298 P C 0.660 177.976 177.300 0.028 0.000 1.146 298 P CA 0.232 63.222 63.100 -0.183 0.000 0.813 298 P CB -0.351 31.307 31.700 -0.070 0.000 0.778 299 L N 1.015 122.264 121.223 0.044 0.000 2.654 299 L HA 0.122 4.462 4.340 0.000 0.000 0.271 299 L C -2.251 174.747 176.870 0.212 0.000 1.169 299 L CA -1.770 53.136 54.840 0.110 0.000 0.947 299 L CB -0.820 41.280 42.059 0.068 0.000 1.232 299 L HN -0.134 nan 8.230 nan 0.000 0.486 300 P HA -0.095 nan 4.420 nan 0.000 0.266 300 P C -0.696 176.697 177.300 0.155 0.000 1.186 300 P CA -0.120 63.092 63.100 0.186 0.000 0.767 300 P CB 0.396 32.164 31.700 0.113 0.000 0.820 301 V N 2.633 122.619 119.914 0.120 0.000 2.625 301 V HA 0.205 4.325 4.120 0.000 0.000 0.305 301 V C 0.034 176.175 176.094 0.078 0.000 1.055 301 V CA 0.618 62.976 62.300 0.096 0.000 1.209 301 V CB -0.715 31.107 31.823 -0.003 0.000 0.877 301 V HN 0.652 nan 8.190 nan 0.000 0.489 302 A N 4.984 127.885 122.820 0.135 0.000 2.350 302 A HA 0.741 5.061 4.320 0.000 0.000 0.324 302 A C 0.031 177.619 177.584 0.007 0.000 1.118 302 A CA -0.523 51.477 52.037 -0.061 0.000 0.783 302 A CB 1.495 20.070 19.000 -0.709 0.000 1.236 302 A HN 0.859 nan 8.150 nan 0.000 0.457 303 T N 2.218 116.808 114.554 0.059 0.000 2.723 303 T HA 0.425 4.775 4.350 0.000 0.000 0.297 303 T C 0.007 174.818 174.700 0.186 0.000 0.925 303 T CA -0.001 62.154 62.100 0.092 0.000 1.030 303 T CB 0.081 69.004 68.868 0.092 0.000 0.905 303 T HN 0.409 nan 8.240 nan 0.000 0.502 304 V N 2.871 122.895 119.914 0.183 0.000 2.539 304 V HA 0.824 4.944 4.120 0.000 0.000 0.292 304 V C 0.263 176.540 176.094 0.304 0.000 1.045 304 V CA -0.775 61.725 62.300 0.333 0.000 0.945 304 V CB 1.360 33.378 31.823 0.326 0.000 0.993 304 V HN 1.017 nan 8.190 nan 0.000 0.464 305 A N 4.008 127.047 122.820 0.365 0.000 2.486 305 A HA 0.701 5.021 4.320 0.000 0.000 0.300 305 A C -0.894 176.893 177.584 0.339 0.000 1.048 305 A CA -0.653 51.565 52.037 0.302 0.000 0.696 305 A CB 1.292 20.412 19.000 0.201 0.000 1.278 305 A HN 0.874 nan 8.150 nan 0.000 0.405 306 L N 1.720 123.105 121.223 0.270 0.000 2.525 306 L HA 0.141 4.481 4.340 0.000 0.000 0.278 306 L C 1.181 178.040 176.870 -0.017 0.000 1.218 306 L CA 0.413 55.239 54.840 -0.023 0.000 0.878 306 L CB 1.043 42.976 42.059 -0.209 0.000 1.127 306 L HN 0.938 nan 8.230 nan 0.000 0.492 307 T N 0.950 115.467 114.554 -0.060 0.000 2.953 307 T HA 0.058 4.408 4.350 0.000 0.000 0.247 307 T C 0.053 174.709 174.700 -0.074 0.000 1.029 307 T CA 1.104 63.194 62.100 -0.017 0.000 1.144 307 T CB 0.116 69.007 68.868 0.037 0.000 0.870 307 T HN 0.811 nan 8.240 nan 0.000 0.446 308 T N -0.574 113.887 114.554 -0.155 0.000 3.578 308 T HA 0.652 5.002 4.350 0.000 0.000 0.329 308 T C -0.147 174.432 174.700 -0.202 0.000 0.913 308 T CA -0.177 61.839 62.100 -0.140 0.000 1.029 308 T CB 1.284 70.098 68.868 -0.090 0.000 1.045 308 T HN 0.474 nan 8.240 nan 0.000 0.460 309 G N 1.361 110.054 108.800 -0.178 0.000 2.291 309 G HA2 0.300 4.260 3.960 0.000 0.000 0.249 309 G HA3 0.300 4.260 3.960 0.000 0.000 0.249 309 G C -0.773 174.040 174.900 -0.145 0.000 1.340 309 G CA -0.525 44.471 45.100 -0.173 0.000 1.017 309 G HN 0.740 nan 8.290 nan 0.000 0.470 310 T N 1.617 116.097 114.554 -0.123 0.000 2.779 310 T HA 0.517 4.867 4.350 0.000 0.000 0.296 310 T C 1.336 176.015 174.700 -0.034 0.000 0.938 310 T CA 0.965 63.038 62.100 -0.045 0.000 1.119 310 T CB 0.320 69.194 68.868 0.010 0.000 0.891 310 T HN 1.395 nan 8.240 nan 0.000 0.526 311 G N 1.759 110.567 108.800 0.013 0.000 2.846 311 G HA2 0.388 4.348 3.960 0.000 0.000 0.257 311 G HA3 0.388 4.348 3.960 0.000 0.000 0.257 311 G C 0.608 175.633 174.900 0.208 0.000 1.253 311 G CA -0.013 45.132 45.100 0.076 0.000 0.918 311 G HN 1.345 nan 8.290 nan 0.000 0.597 312 G N -1.445 107.525 108.800 0.284 0.000 2.445 312 G HA2 0.360 4.320 3.960 0.000 0.000 0.233 312 G HA3 0.360 4.320 3.960 0.000 0.000 0.233 312 G C -0.375 174.827 174.900 0.504 0.000 1.308 312 G CA 0.001 45.320 45.100 0.366 0.000 1.179 312 G HN 1.097 nan 8.290 nan 0.000 0.637 313 T N 0.784 115.555 114.554 0.362 0.000 3.050 313 T HA 0.498 4.848 4.350 0.000 0.000 0.310 313 T C -0.302 174.497 174.700 0.165 0.000 0.978 313 T CA -0.685 61.603 62.100 0.315 0.000 1.013 313 T CB 1.036 70.166 68.868 0.437 0.000 1.000 313 T HN 0.481 nan 8.240 nan 0.000 0.447 314 N N 2.878 121.631 118.700 0.087 0.000 2.417 314 N HA 0.436 5.176 4.740 0.000 0.000 0.274 314 N C -0.353 175.149 175.510 -0.012 0.000 0.987 314 N CA -0.748 52.326 53.050 0.040 0.000 0.912 314 N CB 1.399 39.904 38.487 0.029 0.000 1.177 314 N HN 0.457 nan 8.380 nan 0.000 0.490 315 N N -0.156 118.534 118.700 -0.016 0.000 2.476 315 N HA 0.425 5.165 4.740 0.000 0.000 0.287 315 N C -0.597 174.854 175.510 -0.099 0.000 1.262 315 N CA -0.432 52.579 53.050 -0.066 0.000 0.980 315 N CB 0.826 39.294 38.487 -0.030 0.000 1.163 315 N HN 0.526 nan 8.380 nan 0.000 0.592 316 T N -2.458 112.015 114.554 -0.134 0.000 2.885 316 T HA 0.307 4.657 4.350 0.000 0.000 0.285 316 T C 0.883 175.517 174.700 -0.111 0.000 1.019 316 T CA -0.666 61.353 62.100 -0.136 0.000 1.010 316 T CB 1.478 70.237 68.868 -0.182 0.000 1.022 316 T HN 0.493 nan 8.240 nan 0.000 0.466 317 S N 2.039 117.673 115.700 -0.111 0.000 2.414 317 S HA 0.200 4.670 4.470 0.000 0.000 0.227 317 S C 1.555 176.079 174.600 -0.126 0.000 1.022 317 S CA 0.086 58.221 58.200 -0.109 0.000 0.958 317 S CB -1.301 61.827 63.200 -0.120 0.000 0.797 317 S HN 1.329 nan 8.310 nan 0.000 0.493 318 G N 1.739 110.456 108.800 -0.139 0.000 3.185 318 G HA2 -0.047 3.913 3.960 0.000 0.000 0.230 318 G HA3 -0.047 3.913 3.960 0.000 0.000 0.230 318 G C 0.578 175.381 174.900 -0.161 0.000 1.240 318 G CA 0.120 45.133 45.100 -0.146 0.000 0.859 318 G HN 0.320 nan 8.290 nan 0.000 0.589 319 K N -0.100 120.154 120.400 -0.245 0.000 2.284 319 K HA 0.088 4.408 4.320 0.000 0.000 0.198 319 K C 0.314 176.716 176.600 -0.330 0.000 1.048 319 K CA 0.304 56.387 56.287 -0.340 0.000 0.987 319 K CB 0.022 32.214 32.500 -0.513 0.000 0.800 319 K HN 0.354 nan 8.250 nan 0.000 0.486 320 F N -0.281 119.650 119.950 -0.031 0.000 2.355 320 F HA 0.282 4.809 4.527 0.000 0.000 0.340 320 F C 0.329 176.108 175.800 -0.036 0.000 1.067 320 F CA -1.348 56.644 58.000 -0.014 0.000 1.116 320 F CB -0.122 38.869 39.000 -0.015 0.000 1.582 320 F HN -0.233 nan 8.300 nan 0.000 0.512 321 F N 1.250 121.238 119.950 0.064 0.000 2.371 321 F HA 0.546 5.073 4.527 0.000 0.000 0.363 321 F C -0.164 175.460 175.800 -0.294 0.000 1.122 321 F CA -0.325 57.557 58.000 -0.196 0.000 1.129 321 F CB 0.409 39.233 39.000 -0.293 0.000 1.173 321 F HN 0.192 nan 8.300 nan 0.000 0.489 322 S N 4.568 119.553 115.700 -1.191 0.000 2.537 322 S HA 0.880 5.350 4.470 0.000 0.000 0.271 322 S C -1.983 172.056 174.600 -0.934 0.000 1.148 322 S CA -0.500 57.063 58.200 -1.061 0.000 0.868 322 S CB 1.345 64.259 63.200 -0.478 0.000 1.115 322 S HN 0.551 nan 8.310 nan 0.000 0.461 323 V N 2.770 122.207 119.914 -0.796 0.000 3.077 323 V HA 0.495 4.615 4.120 0.000 0.000 0.299 323 V C -1.001 174.902 176.094 -0.319 0.000 1.276 323 V CA -0.788 61.219 62.300 -0.488 0.000 0.993 323 V CB 2.013 33.554 31.823 -0.470 0.000 1.076 323 V HN 0.918 nan 8.190 nan 0.000 0.434 324 E N 3.490 123.580 120.200 -0.184 0.000 2.145 324 E HA 0.708 5.058 4.350 0.000 0.000 0.270 324 E C -1.239 175.305 176.600 -0.093 0.000 0.906 324 E CA -0.540 55.793 56.400 -0.112 0.000 0.761 324 E CB 1.528 31.200 29.700 -0.046 0.000 1.116 324 E HN 0.648 nan 8.360 nan 0.000 0.408 325 I N 1.052 121.531 120.570 -0.152 0.000 3.145 325 I HA 0.661 4.832 4.170 0.000 0.000 0.313 325 I C -1.402 174.692 176.117 -0.038 0.000 1.122 325 I CA -0.776 60.418 61.300 -0.178 0.000 0.987 325 I CB 2.181 39.656 38.000 -0.874 0.000 1.236 325 I HN 0.412 nan 8.210 nan 0.000 0.453 326 D N 0.663 121.191 120.400 0.214 0.000 2.717 326 D HA 0.685 5.325 4.640 0.000 0.000 0.223 326 D C -0.553 176.069 176.300 0.536 0.000 1.240 326 D CA -0.400 53.773 54.000 0.289 0.000 0.801 326 D CB 1.691 42.617 40.800 0.210 0.000 1.556 326 D HN 1.236 nan 8.370 nan 0.000 0.462 327 G N 0.601 109.661 108.800 0.433 0.000 2.337 327 G HA2 0.161 4.121 3.960 0.000 0.000 0.298 327 G HA3 0.161 4.121 3.960 0.000 0.000 0.298 327 G C -1.130 173.923 174.900 0.254 0.000 1.335 327 G CA -1.003 44.314 45.100 0.362 0.000 0.875 327 G HN 0.462 nan 8.290 nan 0.000 0.579 328 N N -0.879 117.905 118.700 0.140 0.000 2.267 328 N HA 0.132 4.872 4.740 0.000 0.000 0.226 328 N C 1.652 177.224 175.510 0.104 0.000 1.314 328 N CA 0.181 53.284 53.050 0.088 0.000 0.887 328 N CB 1.240 39.745 38.487 0.030 0.000 1.120 328 N HN 0.444 nan 8.380 nan 0.000 0.440 329 V N 1.400 121.357 119.914 0.071 0.000 2.237 329 V HA -0.296 3.824 4.120 0.000 0.000 0.245 329 V C 1.643 177.755 176.094 0.030 0.000 1.046 329 V CA 2.353 64.691 62.300 0.063 0.000 1.007 329 V CB -0.707 31.139 31.823 0.038 0.000 0.638 329 V HN 0.866 nan 8.190 nan 0.000 0.445 330 N N 0.229 118.928 118.700 -0.002 0.000 2.417 330 N HA -0.103 4.637 4.740 0.000 0.000 0.187 330 N C 0.906 176.361 175.510 -0.092 0.000 1.027 330 N CA 0.870 53.897 53.050 -0.037 0.000 0.891 330 N CB -0.725 37.742 38.487 -0.034 0.000 0.956 330 N HN 0.413 nan 8.380 nan 0.000 0.442 331 S N -0.397 115.229 115.700 -0.124 0.000 2.563 331 S HA 0.262 4.732 4.470 0.000 0.000 0.284 331 S C -0.134 174.169 174.600 -0.495 0.000 1.331 331 S CA -0.471 57.512 58.200 -0.361 0.000 1.047 331 S CB 0.752 63.684 63.200 -0.448 0.000 0.859 331 S HN 0.114 nan 8.310 nan 0.000 0.514 332 V N 3.491 123.018 119.914 -0.645 0.000 2.760 332 V HA 0.513 4.633 4.120 0.000 0.000 0.309 332 V C -0.702 175.174 176.094 -0.364 0.000 1.077 332 V CA -0.867 61.234 62.300 -0.332 0.000 0.910 332 V CB 1.667 33.425 31.823 -0.108 0.000 1.008 332 V HN 0.863 nan 8.190 nan 0.000 0.424 333 W N 1.139 122.581 121.300 0.237 0.000 2.799 333 W HA 0.790 5.450 4.660 0.000 0.000 0.349 333 W C -0.350 176.381 176.519 0.353 0.000 1.100 333 W CA -0.543 56.999 57.345 0.328 0.000 1.174 333 W CB 2.589 32.336 29.460 0.479 0.000 1.427 333 W HN 0.460 nan 8.180 nan 0.000 0.547 334 T N 1.750 116.638 114.554 0.556 0.000 2.886 334 T HA 0.511 4.861 4.350 0.000 0.000 0.330 334 T C -1.421 173.531 174.700 0.420 0.000 1.488 334 T CA -0.478 61.861 62.100 0.399 0.000 1.054 334 T CB 1.886 70.875 68.868 0.201 0.000 1.348 334 T HN 0.305 nan 8.240 nan 0.000 0.489 335 F N -1.108 118.985 119.950 0.239 0.000 2.711 335 F HA 0.806 5.333 4.527 0.000 0.000 0.313 335 F C -0.741 175.118 175.800 0.097 0.000 1.141 335 F CA -1.041 57.054 58.000 0.159 0.000 0.941 335 F CB 0.681 39.774 39.000 0.156 0.000 1.349 335 F HN 0.409 nan 8.300 nan 0.000 0.464 336 T N 1.855 116.564 114.554 0.258 0.000 2.845 336 T HA 0.657 5.007 4.350 0.000 0.000 0.288 336 T C 0.039 174.896 174.700 0.262 0.000 0.980 336 T CA -0.131 62.032 62.100 0.104 0.000 1.071 336 T CB 1.277 70.210 68.868 0.109 0.000 0.941 336 T HN 0.914 nan 8.240 nan 0.000 0.487 337 A N 5.175 128.045 122.820 0.083 0.000 2.444 337 A HA 0.382 4.702 4.320 0.000 0.000 0.273 337 A C -1.137 176.531 177.584 0.140 0.000 1.136 337 A CA -1.222 50.918 52.037 0.173 0.000 0.799 337 A CB 0.011 19.058 19.000 0.079 0.000 1.081 337 A HN 0.603 nan 8.150 nan 0.000 0.509 338 P HA 0.290 nan 4.420 nan 0.000 0.253 338 P C -0.055 177.299 177.300 0.090 0.000 1.260 338 P CA 1.056 64.214 63.100 0.098 0.000 0.800 338 P CB 0.128 31.877 31.700 0.082 0.000 1.162 339 A N -0.572 122.307 122.820 0.098 0.000 2.586 339 A HA 0.445 4.765 4.320 0.000 0.000 0.296 339 A C -0.338 177.312 177.584 0.109 0.000 1.040 339 A CA -0.511 51.589 52.037 0.105 0.000 0.701 339 A CB 0.143 19.210 19.000 0.111 0.000 1.277 339 A HN 0.028 nan 8.150 nan 0.000 0.413 340 S N 0.940 116.717 115.700 0.128 0.000 2.558 340 S HA 0.475 4.945 4.470 0.000 0.000 0.291 340 S C 0.156 174.791 174.600 0.058 0.000 1.306 340 S CA 0.264 58.536 58.200 0.120 0.000 1.056 340 S CB -0.068 63.249 63.200 0.195 0.000 0.836 340 S HN 0.682 nan 8.310 nan 0.000 0.504 341 I N 2.014 122.616 120.570 0.053 0.000 2.785 341 I HA 0.495 4.665 4.170 0.000 0.000 0.302 341 I C -0.582 175.540 176.117 0.008 0.000 1.069 341 I CA -0.987 60.325 61.300 0.019 0.000 1.045 341 I CB 1.868 39.936 38.000 0.113 0.000 1.236 341 I HN 0.514 nan 8.210 nan 0.000 0.429 342 L N 3.973 125.149 121.223 -0.078 0.000 2.388 342 L HA 0.870 5.210 4.340 0.000 0.000 0.264 342 L C -0.706 176.134 176.870 -0.050 0.000 0.998 342 L CA -0.689 54.116 54.840 -0.060 0.000 0.817 342 L CB 2.096 44.048 42.059 -0.178 0.000 1.338 342 L HN 0.692 nan 8.230 nan 0.000 0.414 343 A N 1.750 124.567 122.820 -0.006 0.000 2.517 343 A HA 0.554 4.874 4.320 0.000 0.000 0.297 343 A C -0.536 177.046 177.584 -0.004 0.000 1.050 343 A CA -0.448 51.561 52.037 -0.046 0.000 0.694 343 A CB 1.229 20.139 19.000 -0.149 0.000 1.277 343 A HN 0.903 nan 8.150 nan 0.000 0.400 344 E N 1.216 121.405 120.200 -0.019 0.000 2.222 344 E HA -0.230 4.120 4.350 0.000 0.000 0.189 344 E C 0.975 177.580 176.600 0.008 0.000 1.415 344 E CA 0.929 57.327 56.400 -0.004 0.000 0.689 344 E CB -2.237 27.464 29.700 0.002 0.000 1.107 344 E HN 2.634 nan 8.360 nan 0.000 0.350 345 G N -0.220 108.581 108.800 0.000 0.000 2.216 345 G HA2 -0.386 3.574 3.960 0.000 0.000 0.269 345 G HA3 -0.386 3.574 3.960 0.000 0.000 0.269 345 G C 0.225 175.134 174.900 0.015 0.000 0.981 345 G CA 1.256 46.359 45.100 0.006 0.000 0.658 345 G HN 0.546 nan 8.290 nan 0.000 0.539 346 E N 0.371 120.586 120.200 0.025 0.000 2.249 346 E HA 0.512 4.862 4.350 0.000 0.000 0.263 346 E C -2.334 174.301 176.600 0.058 0.000 0.950 346 E CA -1.894 54.532 56.400 0.042 0.000 0.827 346 E CB 2.033 31.767 29.700 0.057 0.000 1.220 346 E HN 0.175 nan 8.360 nan 0.000 0.411 347 P HA 0.234 nan 4.420 nan 0.000 0.279 347 P C -0.273 177.105 177.300 0.129 0.000 1.252 347 P CA -0.089 63.050 63.100 0.065 0.000 0.811 347 P CB 1.057 32.779 31.700 0.037 0.000 1.035 348 F N 0.510 120.442 119.950 -0.031 0.000 2.570 348 F HA 0.512 5.039 4.527 0.000 0.000 0.290 348 F C -0.006 175.781 175.800 -0.021 0.000 0.910 348 F CA 0.428 58.413 58.000 -0.025 0.000 1.119 348 F CB 0.598 39.585 39.000 -0.023 0.000 0.922 348 F HN 0.473 nan 8.300 nan 0.000 0.703 349 A N 0.168 123.048 122.820 0.100 0.000 2.606 349 A HA 0.645 4.965 4.320 0.000 0.000 0.293 349 A C -1.315 176.299 177.584 0.050 0.000 1.082 349 A CA -0.712 51.344 52.037 0.032 0.000 0.685 349 A CB 1.154 20.212 19.000 0.096 0.000 1.284 349 A HN 0.019 nan 8.150 nan 0.000 0.408 350 E N 0.381 120.597 120.200 0.028 0.000 2.239 350 E HA 0.220 4.570 4.350 0.000 0.000 0.261 350 E C -0.266 176.367 176.600 0.054 0.000 1.016 350 E CA -0.718 55.710 56.400 0.046 0.000 0.882 350 E CB 1.111 30.826 29.700 0.026 0.000 1.190 350 E HN 0.773 nan 8.360 nan 0.000 0.415 351 E N 0.452 120.691 120.200 0.065 0.000 2.401 351 E HA -0.041 4.309 4.350 0.000 0.000 0.203 351 E C 0.130 176.761 176.600 0.053 0.000 1.229 351 E CA 0.135 56.576 56.400 0.068 0.000 1.000 351 E CB -0.598 29.144 29.700 0.070 0.000 1.052 351 E HN 0.662 nan 8.360 nan 0.000 0.497 352 G N 0.269 109.092 108.800 0.038 0.000 3.934 352 G HA2 -0.027 3.933 3.960 0.000 0.000 0.212 352 G HA3 -0.027 3.933 3.960 0.000 0.000 0.212 352 G C -0.230 174.673 174.900 0.005 0.000 1.126 352 G CA -0.511 44.605 45.100 0.027 0.000 0.877 352 G HN 0.101 nan 8.290 nan 0.000 0.556 353 D N 1.273 121.667 120.400 -0.010 0.000 2.357 353 D HA 0.395 5.035 4.640 0.000 0.000 0.242 353 D C 0.024 176.276 176.300 -0.080 0.000 1.153 353 D CA 0.631 54.603 54.000 -0.047 0.000 0.918 353 D CB 1.240 42.000 40.800 -0.067 0.000 1.181 353 D HN -0.085 nan 8.370 nan 0.000 0.435 354 T N 1.187 115.685 114.554 -0.094 0.000 3.029 354 T HA 0.237 4.587 4.350 0.000 0.000 0.346 354 T C -0.041 174.565 174.700 -0.157 0.000 1.211 354 T CA -0.625 61.405 62.100 -0.117 0.000 1.009 354 T CB 0.088 68.924 68.868 -0.054 0.000 1.084 354 T HN 0.127 nan 8.240 nan 0.000 0.536 355 T N 3.370 117.735 114.554 -0.315 0.000 2.834 355 T HA 0.259 4.609 4.350 0.000 0.000 0.298 355 T C 0.387 175.026 174.700 -0.101 0.000 0.966 355 T CA -0.426 61.522 62.100 -0.253 0.000 1.141 355 T CB 0.324 68.876 68.868 -0.526 0.000 0.905 355 T HN 0.445 nan 8.240 nan 0.000 0.535 356 S N 3.276 119.023 115.700 0.079 0.000 2.566 356 S HA 0.537 5.007 4.470 0.000 0.000 0.324 356 S C -0.833 173.914 174.600 0.244 0.000 1.081 356 S CA -0.914 57.385 58.200 0.165 0.000 1.105 356 S CB 0.421 63.670 63.200 0.082 0.000 0.981 356 S HN 0.656 nan 8.310 nan 0.000 0.464 357 F N 2.622 122.699 119.950 0.212 0.000 2.458 357 F HA 0.795 5.322 4.527 0.000 0.000 0.336 357 F C -0.088 175.874 175.800 0.270 0.000 1.114 357 F CA -0.067 57.987 58.000 0.091 0.000 0.987 357 F CB 1.462 40.348 39.000 -0.189 0.000 1.130 357 F HN 0.572 nan 8.300 nan 0.000 0.458 358 S N 5.233 120.436 115.700 -0.828 0.000 2.776 358 S HA 0.732 5.202 4.470 0.000 0.000 0.292 358 S C -1.103 173.107 174.600 -0.650 0.000 1.187 358 S CA -0.918 56.927 58.200 -0.592 0.000 0.834 358 S CB 1.297 64.407 63.200 -0.150 0.000 1.199 358 S HN 0.692 nan 8.310 nan 0.000 0.514 359 M N 1.493 120.951 119.600 -0.238 0.000 2.508 359 M HA 0.405 4.885 4.480 0.000 0.000 0.327 359 M C 0.255 176.540 176.300 -0.024 0.000 1.160 359 M CA -0.718 54.533 55.300 -0.082 0.000 0.980 359 M CB 1.686 34.304 32.600 0.031 0.000 1.693 359 M HN 0.632 nan 8.290 nan 0.000 0.452 360 T N -0.069 114.492 114.554 0.011 0.000 2.988 360 T HA 0.106 4.456 4.350 0.000 0.000 0.240 360 T C 0.393 175.107 174.700 0.024 0.000 1.014 360 T CA 0.841 62.948 62.100 0.012 0.000 1.155 360 T CB 0.346 69.225 68.868 0.018 0.000 0.872 360 T HN 0.733 nan 8.240 nan 0.000 0.440 361 T N 1.729 116.306 114.554 0.040 0.000 2.893 361 T HA 0.698 5.048 4.350 0.000 0.000 0.293 361 T C -0.973 173.754 174.700 0.044 0.000 1.027 361 T CA -0.542 61.580 62.100 0.037 0.000 0.988 361 T CB 1.891 70.780 68.868 0.035 0.000 1.043 361 T HN 0.099 nan 8.240 nan 0.000 0.461 362 I N 2.294 122.888 120.570 0.041 0.000 2.439 362 I HA 0.398 4.568 4.170 0.000 0.000 0.285 362 I C -0.234 175.903 176.117 0.034 0.000 1.021 362 I CA -0.645 60.681 61.300 0.043 0.000 1.091 362 I CB 1.985 40.018 38.000 0.055 0.000 1.242 362 I HN 0.503 nan 8.210 nan 0.000 0.439 363 T N 3.918 118.489 114.554 0.029 0.000 2.856 363 T HA 0.350 4.700 4.350 0.000 0.000 0.283 363 T C 1.134 175.845 174.700 0.019 0.000 1.008 363 T CA -0.348 61.765 62.100 0.022 0.000 0.997 363 T CB 2.080 70.959 68.868 0.020 0.000 0.992 363 T HN 0.701 nan 8.240 nan 0.000 0.454 364 A N 1.806 124.635 122.820 0.016 0.000 2.084 364 A HA -0.132 4.188 4.320 0.000 0.000 0.221 364 A C 1.675 179.263 177.584 0.006 0.000 1.161 364 A CA 1.756 53.800 52.037 0.011 0.000 0.653 364 A CB -0.299 18.705 19.000 0.008 0.000 0.802 364 A HN 0.762 nan 8.150 nan 0.000 0.457 365 D N -2.323 118.082 120.400 0.009 0.000 2.566 365 D HA 0.117 4.757 4.640 0.000 0.000 0.253 365 D C 1.115 177.420 176.300 0.009 0.000 0.992 365 D CA 1.077 55.081 54.000 0.008 0.000 0.940 365 D CB -0.274 40.532 40.800 0.010 0.000 1.095 365 D HN 0.273 nan 8.370 nan 0.000 0.480 366 T N -0.279 114.283 114.554 0.013 0.000 2.893 366 T HA 0.635 4.985 4.350 0.000 0.000 0.279 366 T C -0.978 173.731 174.700 0.015 0.000 0.991 366 T CA -0.569 61.539 62.100 0.013 0.000 0.950 366 T CB 1.274 70.153 68.868 0.018 0.000 1.223 366 T HN -0.246 nan 8.240 nan 0.000 0.585 367 V N 1.415 121.338 119.914 0.016 0.000 2.851 367 V HA 0.342 4.462 4.120 0.000 0.000 0.290 367 V C -1.013 175.108 176.094 0.046 0.000 1.330 367 V CA -0.936 61.378 62.300 0.024 0.000 0.944 367 V CB 1.853 33.680 31.823 0.006 0.000 1.090 367 V HN 0.718 nan 8.190 nan 0.000 0.436 368 V N 5.771 125.738 119.914 0.088 0.000 2.483 368 V HA 0.683 4.803 4.120 0.000 0.000 0.295 368 V C -0.542 175.692 176.094 0.234 0.000 1.035 368 V CA -0.549 61.848 62.300 0.161 0.000 0.896 368 V CB 1.484 33.369 31.823 0.102 0.000 0.986 368 V HN 0.905 nan 8.190 nan 0.000 0.447 369 Y N 1.656 121.958 120.300 0.004 0.000 2.665 369 Y HA 0.937 5.487 4.550 0.000 0.000 0.336 369 Y C -0.300 175.577 175.900 -0.037 0.000 1.085 369 Y CA -0.886 57.194 58.100 -0.033 0.000 1.096 369 Y CB 2.359 40.903 38.460 0.139 0.000 1.301 369 Y HN 0.632 nan 8.280 nan 0.000 0.493 370 S N 0.872 116.416 115.700 -0.261 0.000 2.579 370 S HA 0.533 5.003 4.470 0.000 0.000 0.290 370 S C -1.587 172.901 174.600 -0.185 0.000 1.123 370 S CA -0.321 57.695 58.200 -0.307 0.000 0.894 370 S CB 0.911 64.016 63.200 -0.158 0.000 1.095 370 S HN 1.761 nan 8.310 nan 0.000 0.450 371 V N 0.573 120.412 119.914 -0.124 0.000 2.864 371 V HA 1.040 5.160 4.120 0.000 0.000 0.314 371 V C -0.338 175.918 176.094 0.270 0.000 1.073 371 V CA 0.205 62.540 62.300 0.058 0.000 0.956 371 V CB 1.436 33.251 31.823 -0.014 0.000 1.023 371 V HN 1.891 nan 8.190 nan 0.000 0.435 372 S N 2.499 118.384 115.700 0.307 0.000 2.671 372 S HA 0.932 5.402 4.470 0.000 0.000 0.277 372 S C -0.404 174.216 174.600 0.033 0.000 1.165 372 S CA -0.084 58.242 58.200 0.209 0.000 0.822 372 S CB 1.513 64.727 63.200 0.024 0.000 1.150 372 S HN 2.370 nan 8.310 nan 0.000 0.479 373 S N -0.382 115.148 115.700 -0.282 0.000 2.697 373 S HA 0.614 5.084 4.470 0.000 0.000 0.289 373 S C 0.710 175.189 174.600 -0.201 0.000 1.149 373 S CA 0.002 58.063 58.200 -0.230 0.000 0.850 373 S CB 0.948 63.953 63.200 -0.324 0.000 1.151 373 S HN 1.698 nan 8.310 nan 0.000 0.491 374 S N 0.154 115.768 115.700 -0.144 0.000 2.555 374 S HA 0.050 4.520 4.470 0.000 0.000 0.230 374 S C 0.722 175.249 174.600 -0.120 0.000 0.978 374 S CA 0.003 58.138 58.200 -0.107 0.000 0.934 374 S CB -0.882 62.274 63.200 -0.072 0.000 0.766 374 S HN 0.897 nan 8.310 nan 0.000 0.533 375 L N 4.621 125.743 121.223 -0.169 0.000 2.615 375 L HA 0.187 4.527 4.340 0.000 0.000 0.271 375 L C 0.241 177.026 176.870 -0.142 0.000 1.183 375 L CA 0.378 55.125 54.840 -0.154 0.000 0.933 375 L CB -0.434 41.501 42.059 -0.206 0.000 1.199 375 L HN 0.372 nan 8.230 nan 0.000 0.487 376 T N 2.354 116.853 114.554 -0.093 0.000 2.784 376 T HA 0.467 4.817 4.350 0.000 0.000 0.291 376 T C 1.203 175.856 174.700 -0.077 0.000 0.942 376 T CA -0.057 61.998 62.100 -0.075 0.000 1.161 376 T CB 0.418 69.256 68.868 -0.049 0.000 0.885 376 T HN 1.449 nan 8.240 nan 0.000 0.534 377 G N 2.747 111.497 108.800 -0.082 0.000 2.195 377 G HA2 -0.294 3.666 3.960 0.000 0.000 0.246 377 G HA3 -0.294 3.666 3.960 0.000 0.000 0.246 377 G C 0.329 175.167 174.900 -0.103 0.000 0.984 377 G CA -0.042 45.014 45.100 -0.072 0.000 0.633 377 G HN 1.702 nan 8.290 nan 0.000 0.525 378 S N 0.617 116.216 115.700 -0.169 0.000 2.509 378 S HA 0.574 5.044 4.470 0.000 0.000 0.287 378 S C 0.738 175.196 174.600 -0.237 0.000 1.248 378 S CA 0.769 58.797 58.200 -0.286 0.000 1.089 378 S CB 1.521 64.413 63.200 -0.513 0.000 0.900 378 S HN 1.361 nan 8.310 nan 0.000 0.496 379 S N 2.797 118.418 115.700 -0.131 0.000 2.612 379 S HA 0.335 4.805 4.470 0.000 0.000 0.253 379 S C 0.495 175.088 174.600 -0.011 0.000 1.346 379 S CA -0.533 57.644 58.200 -0.039 0.000 0.976 379 S CB 0.124 63.342 63.200 0.030 0.000 0.949 379 S HN 0.686 nan 8.310 nan 0.000 0.584 380 V N 1.484 121.431 119.914 0.054 0.000 3.463 380 V HA 0.640 4.760 4.120 0.000 0.000 0.302 380 V C 0.230 176.430 176.094 0.177 0.000 1.097 380 V CA -0.724 61.644 62.300 0.113 0.000 1.003 380 V CB 1.277 33.120 31.823 0.033 0.000 1.229 380 V HN 0.825 nan 8.190 nan 0.000 0.444 381 I N 0.206 120.833 120.570 0.096 0.000 2.722 381 I HA 0.685 4.855 4.170 0.000 0.000 0.295 381 I C -1.877 174.147 176.117 -0.155 0.000 1.161 381 I CA -0.517 60.759 61.300 -0.041 0.000 1.032 381 I CB 2.160 40.057 38.000 -0.171 0.000 1.244 381 I HN 0.424 nan 8.210 nan 0.000 0.421 382 V N 5.900 125.712 119.914 -0.171 0.000 2.924 382 V HA 0.661 4.781 4.120 0.000 0.000 0.300 382 V C -0.655 175.370 176.094 -0.115 0.000 1.227 382 V CA -0.728 61.461 62.300 -0.185 0.000 0.954 382 V CB 2.003 33.780 31.823 -0.076 0.000 1.055 382 V HN 0.876 nan 8.190 nan 0.000 0.429 383 R N 0.717 121.187 120.500 -0.049 0.000 2.733 383 R HA 0.765 5.105 4.340 0.000 0.000 0.272 383 R C -0.582 175.940 176.300 0.369 0.000 1.029 383 R CA -0.116 56.089 56.100 0.175 0.000 0.888 383 R CB 2.377 32.825 30.300 0.247 0.000 1.251 383 R HN 1.111 nan 8.270 nan 0.000 0.464 384 G N 0.065 109.007 108.800 0.237 0.000 2.511 384 G HA2 0.610 4.571 3.960 0.000 0.000 0.318 384 G HA3 0.610 4.571 3.960 0.000 0.000 0.318 384 G C -1.506 173.427 174.900 0.055 0.000 1.210 384 G CA -0.477 44.715 45.100 0.153 0.000 0.969 384 G HN 0.309 nan 8.290 nan 0.000 0.484 385 V N 0.686 120.586 119.914 -0.023 0.000 2.559 385 V HA 0.251 4.371 4.120 0.000 0.000 0.289 385 V C -0.063 176.008 176.094 -0.038 0.000 1.036 385 V CA -1.016 61.243 62.300 -0.068 0.000 0.887 385 V CB 1.200 32.909 31.823 -0.190 0.000 1.022 385 V HN 0.935 nan 8.190 nan 0.000 0.442 386 T N 2.239 116.786 114.554 -0.011 0.000 2.751 386 T HA 0.108 4.458 4.350 0.000 0.000 0.279 386 T C 0.260 174.956 174.700 -0.008 0.000 0.941 386 T CA -0.003 62.096 62.100 -0.002 0.000 1.192 386 T CB 0.049 68.922 68.868 0.009 0.000 0.883 386 T HN 0.715 nan 8.240 nan 0.000 0.534 387 K N 2.172 122.566 120.400 -0.010 0.000 2.611 387 K HA 0.046 4.366 4.320 0.000 0.000 0.280 387 K C 1.646 178.241 176.600 -0.008 0.000 0.964 387 K CA 1.376 57.656 56.287 -0.012 0.000 1.029 387 K CB -0.453 32.044 32.500 -0.005 0.000 0.862 387 K HN 0.922 nan 8.250 nan 0.000 0.501 388 G N 1.470 110.262 108.800 -0.014 0.000 2.328 388 G HA2 -0.273 3.687 3.960 0.000 0.000 0.256 388 G HA3 -0.273 3.687 3.960 0.000 0.000 0.256 388 G C -0.201 174.709 174.900 0.016 0.000 1.014 388 G CA 0.557 45.648 45.100 -0.016 0.000 0.620 388 G HN 0.610 nan 8.290 nan 0.000 0.530 389 S N 0.512 116.226 115.700 0.024 0.000 2.746 389 S HA 0.708 5.178 4.470 0.000 0.000 0.273 389 S C 0.433 175.055 174.600 0.036 0.000 1.172 389 S CA 0.599 58.828 58.200 0.048 0.000 1.116 389 S CB 1.248 64.479 63.200 0.052 0.000 1.057 389 S HN 2.267 nan 8.310 nan 0.000 0.483 390 G N 1.357 110.182 108.800 0.041 0.000 2.710 390 G HA2 0.049 4.009 3.960 0.000 0.000 0.668 390 G HA3 0.049 4.009 3.960 0.000 0.000 0.668 390 G C -0.792 174.110 174.900 0.003 0.000 1.320 390 G CA -0.428 44.688 45.100 0.026 0.000 0.860 390 G HN 1.635 nan 8.290 nan 0.000 0.538 391 V N -3.371 116.545 119.914 0.002 0.000 3.001 391 V HA 0.918 5.038 4.120 0.000 0.000 0.314 391 V C 0.465 176.556 176.094 -0.005 0.000 1.099 391 V CA -0.042 62.250 62.300 -0.012 0.000 0.989 391 V CB 1.912 33.737 31.823 0.004 0.000 1.040 391 V HN 1.985 nan 8.190 nan 0.000 0.434 392 S N 2.841 118.531 115.700 -0.017 0.000 2.464 392 S HA 0.586 5.056 4.470 0.000 0.000 0.313 392 S C -0.171 174.485 174.600 0.092 0.000 1.078 392 S CA -0.608 57.617 58.200 0.042 0.000 1.096 392 S CB -0.905 62.331 63.200 0.059 0.000 1.032 392 S HN 0.579 nan 8.310 nan 0.000 0.498 393 I N 3.793 124.401 120.570 0.063 0.000 2.638 393 I HA 0.252 4.422 4.170 0.000 0.000 0.286 393 I C 0.298 176.447 176.117 0.055 0.000 1.088 393 I CA -0.154 61.179 61.300 0.055 0.000 1.397 393 I CB 1.135 39.151 38.000 0.026 0.000 1.414 393 I HN 0.372 nan 8.210 nan 0.000 0.566 394 T N 5.597 120.177 114.554 0.042 0.000 3.008 394 T HA 0.260 4.610 4.350 0.000 0.000 0.328 394 T C -2.540 172.154 174.700 -0.010 0.000 1.020 394 T CA -1.112 60.995 62.100 0.010 0.000 1.043 394 T CB 1.241 70.106 68.868 -0.006 0.000 1.010 394 T HN 0.414 nan 8.240 nan 0.000 0.466 395 P HA 0.140 nan 4.420 nan 0.000 0.260 395 P C -0.627 176.648 177.300 -0.041 0.000 1.185 395 P CA 0.074 63.159 63.100 -0.026 0.000 0.763 395 P CB 0.597 32.283 31.700 -0.023 0.000 0.776 396 V N 3.925 123.812 119.914 -0.045 0.000 3.102 396 V HA 0.583 4.703 4.120 0.000 0.000 0.312 396 V C 0.272 176.318 176.094 -0.081 0.000 1.135 396 V CA -0.458 61.804 62.300 -0.064 0.000 1.022 396 V CB 2.544 34.337 31.823 -0.050 0.000 1.056 396 V HN 0.459 nan 8.190 nan 0.000 0.436 397 T N 1.386 115.864 114.554 -0.126 0.000 2.881 397 T HA 0.654 5.004 4.350 0.000 0.000 0.290 397 T C -0.798 173.762 174.700 -0.233 0.000 1.000 397 T CA -0.299 61.687 62.100 -0.190 0.000 0.978 397 T CB 1.720 70.404 68.868 -0.306 0.000 0.997 397 T HN 0.412 nan 8.240 nan 0.000 0.443 398 V N 1.802 121.625 119.914 -0.151 0.000 2.881 398 V HA 0.623 4.743 4.120 0.000 0.000 0.316 398 V C 1.425 177.535 176.094 0.027 0.000 1.070 398 V CA -0.633 61.624 62.300 -0.071 0.000 0.976 398 V CB 1.884 33.716 31.823 0.015 0.000 1.038 398 V HN 1.052 nan 8.190 nan 0.000 0.446 399 G N 1.452 110.340 108.800 0.147 0.000 2.920 399 G HA2 0.123 4.083 3.960 0.000 0.000 0.208 399 G HA3 0.123 4.083 3.960 0.000 0.000 0.208 399 G C 0.326 175.409 174.900 0.306 0.000 1.159 399 G CA 0.295 45.660 45.100 0.441 0.000 0.784 399 G HN 0.509 nan 8.290 nan 0.000 0.535 400 I N -0.640 120.056 120.570 0.209 0.000 3.830 400 I HA 0.477 4.647 4.170 0.000 0.000 0.272 400 I C -0.987 175.217 176.117 0.146 0.000 1.333 400 I CA -1.142 60.249 61.300 0.153 0.000 1.006 400 I CB 1.913 39.992 38.000 0.131 0.000 1.472 400 I HN -0.054 nan 8.210 nan 0.000 0.604 401 D N 0.610 121.080 120.400 0.116 0.000 2.433 401 D HA 0.438 5.078 4.640 0.000 0.000 0.236 401 D C -1.019 175.343 176.300 0.103 0.000 1.026 401 D CA -0.293 53.767 54.000 0.099 0.000 0.884 401 D CB 1.907 42.752 40.800 0.074 0.000 1.384 401 D HN 0.502 nan 8.370 nan 0.000 0.477 402 T N -1.877 112.729 114.554 0.086 0.000 2.944 402 T HA 0.541 4.891 4.350 0.000 0.000 0.284 402 T C -0.107 174.640 174.700 0.077 0.000 1.010 402 T CA -1.001 61.150 62.100 0.086 0.000 1.025 402 T CB 1.970 70.869 68.868 0.051 0.000 1.079 402 T HN 0.300 nan 8.240 nan 0.000 0.516 403 E N -0.504 119.747 120.200 0.086 0.000 2.232 403 E HA 0.524 4.874 4.350 0.000 0.000 0.264 403 E C 1.152 177.783 176.600 0.052 0.000 0.973 403 E CA -0.822 55.620 56.400 0.070 0.000 0.849 403 E CB 1.785 31.535 29.700 0.084 0.000 1.198 403 E HN 0.712 nan 8.360 nan 0.000 0.407 404 A N 2.359 125.205 122.820 0.042 0.000 1.986 404 A HA -0.102 4.218 4.320 0.000 0.000 0.220 404 A C 0.929 178.525 177.584 0.019 0.000 1.171 404 A CA 0.670 52.724 52.037 0.028 0.000 0.640 404 A CB -0.667 18.350 19.000 0.029 0.000 0.811 404 A HN 0.416 nan 8.150 nan 0.000 0.451 405 V N 1.948 121.882 119.914 0.032 0.000 3.141 405 V HA -0.186 3.934 4.120 0.000 0.000 0.280 405 V C 0.056 176.125 176.094 -0.042 0.000 1.388 405 V CA 1.023 63.327 62.300 0.007 0.000 1.417 405 V CB -1.481 30.361 31.823 0.032 0.000 0.805 405 V HN 0.865 nan 8.190 nan 0.000 0.434 406 N N 6.044 124.693 118.700 -0.086 0.000 2.432 406 N HA 0.623 5.363 4.740 0.000 0.000 0.292 406 N C -0.431 174.968 175.510 -0.185 0.000 1.193 406 N CA -1.145 51.841 53.050 -0.107 0.000 0.878 406 N CB 1.079 39.519 38.487 -0.077 0.000 1.252 406 N HN 0.414 nan 8.380 nan 0.000 0.520 407 R N -0.019 120.379 120.500 -0.169 0.000 2.541 407 R HA 0.488 4.828 4.340 0.000 0.000 0.263 407 R C -0.366 175.804 176.300 -0.217 0.000 1.112 407 R CA -0.649 55.317 56.100 -0.223 0.000 1.170 407 R CB 0.255 30.452 30.300 -0.171 0.000 1.167 407 R HN 0.604 nan 8.270 nan 0.000 0.582 408 L N 0.956 122.029 121.223 -0.250 0.000 2.366 408 L HA 0.208 4.548 4.340 0.000 0.000 0.266 408 L C 0.350 177.098 176.870 -0.203 0.000 1.010 408 L CA -0.574 54.144 54.840 -0.203 0.000 0.879 408 L CB 1.701 43.639 42.059 -0.202 0.000 1.228 408 L HN 0.537 nan 8.230 nan 0.000 0.439 409 S N 4.751 120.388 115.700 -0.105 0.000 2.589 409 S HA 0.251 4.721 4.470 0.000 0.000 0.306 409 S C -0.166 174.427 174.600 -0.012 0.000 1.221 409 S CA -0.003 58.203 58.200 0.009 0.000 1.159 409 S CB -0.481 62.764 63.200 0.075 0.000 0.990 409 S HN 0.416 nan 8.310 nan 0.000 0.514 410 I N 3.859 124.304 120.570 -0.208 0.000 2.418 410 I HA 0.250 4.420 4.170 0.000 0.000 0.287 410 I C 0.024 175.850 176.117 -0.485 0.000 1.008 410 I CA -0.905 60.177 61.300 -0.363 0.000 1.104 410 I CB 1.801 39.394 38.000 -0.678 0.000 1.264 410 I HN 0.547 nan 8.210 nan 0.000 0.438 411 E N 6.506 126.404 120.200 -0.503 0.000 2.502 411 E HA -0.029 4.321 4.350 0.000 0.000 0.261 411 E C -0.632 175.925 176.600 -0.071 0.000 0.974 411 E CA 0.328 56.425 56.400 -0.505 0.000 0.936 411 E CB 0.572 30.273 29.700 0.002 0.000 0.926 411 E HN 0.287 nan 8.360 nan 0.000 0.459 412 M N 7.378 126.989 119.600 0.019 0.000 2.069 412 M HA 0.267 4.747 4.480 0.000 0.000 0.349 412 M C -2.263 174.042 176.300 0.007 0.000 1.194 412 M CA -2.905 52.400 55.300 0.008 0.000 1.081 412 M CB 0.958 33.407 32.600 -0.250 0.000 1.500 412 M HN 0.407 nan 8.290 nan 0.000 0.438 413 P HA -0.044 nan 4.420 nan 0.000 0.256 413 P C -0.421 176.898 177.300 0.031 0.000 1.173 413 P CA 0.108 63.265 63.100 0.095 0.000 0.768 413 P CB -0.210 31.531 31.700 0.069 0.000 0.758 414 A N 4.411 127.309 122.820 0.130 0.000 2.116 414 A HA -0.166 4.154 4.320 0.000 0.000 0.327 414 A C 1.123 178.757 177.584 0.083 0.000 0.883 414 A CA 0.295 52.420 52.037 0.147 0.000 1.423 414 A CB -0.983 18.101 19.000 0.139 0.000 0.662 414 A HN 0.500 nan 8.150 nan 0.000 0.285 415 L N 2.620 123.797 121.223 -0.077 0.000 2.492 415 L HA 0.073 4.413 4.340 0.000 0.000 0.223 415 L C 1.812 178.495 176.870 -0.311 0.000 1.132 415 L CA 1.705 56.470 54.840 -0.125 0.000 0.850 415 L CB -0.472 41.406 42.059 -0.301 0.000 0.966 415 L HN 0.851 nan 8.230 nan 0.000 0.454 416 T N -4.400 110.027 114.554 -0.212 0.000 2.795 416 T HA 0.243 4.593 4.350 0.000 0.000 0.282 416 T C 1.350 175.853 174.700 -0.329 0.000 0.980 416 T CA -0.052 61.897 62.100 -0.253 0.000 1.012 416 T CB 1.214 70.044 68.868 -0.063 0.000 0.936 416 T HN 0.227 nan 8.240 nan 0.000 0.457 417 T N 0.638 114.958 114.554 -0.390 0.000 2.869 417 T HA -0.183 4.167 4.350 0.000 0.000 0.270 417 T C 1.409 176.030 174.700 -0.131 0.000 1.082 417 T CA 1.516 63.474 62.100 -0.236 0.000 1.123 417 T CB -0.427 68.372 68.868 -0.115 0.000 0.856 417 T HN 0.794 nan 8.240 nan 0.000 0.499 418 E N 1.922 122.058 120.200 -0.107 0.000 1.987 418 E HA -0.155 4.195 4.350 0.000 0.000 0.200 418 E C 2.130 178.678 176.600 -0.088 0.000 0.990 418 E CA 1.641 57.995 56.400 -0.078 0.000 0.859 418 E CB -0.425 29.250 29.700 -0.042 0.000 0.805 418 E HN 0.611 nan 8.360 nan 0.000 0.499 419 E N -0.187 119.984 120.200 -0.049 0.000 2.136 419 E HA -0.280 4.070 4.350 0.000 0.000 0.208 419 E C 2.169 178.732 176.600 -0.061 0.000 1.035 419 E CA 1.902 58.286 56.400 -0.025 0.000 0.838 419 E CB -0.439 29.285 29.700 0.040 0.000 0.748 419 E HN 0.186 nan 8.360 nan 0.000 0.459 420 V N 1.459 121.323 119.914 -0.083 0.000 2.277 420 V HA -0.369 3.751 4.120 0.000 0.000 0.253 420 V C 2.647 178.530 176.094 -0.352 0.000 1.067 420 V CA 2.415 64.629 62.300 -0.143 0.000 1.047 420 V CB -1.604 30.151 31.823 -0.114 0.000 0.649 420 V HN 0.591 nan 8.190 nan 0.000 0.447 421 T N -2.487 111.796 114.554 -0.452 0.000 2.668 421 T HA -0.196 4.154 4.350 0.000 0.000 0.258 421 T C 1.718 176.312 174.700 -0.177 0.000 1.051 421 T CA 1.827 63.598 62.100 -0.548 0.000 1.155 421 T CB -1.071 67.583 68.868 -0.356 0.000 0.864 421 T HN 0.407 nan 8.240 nan 0.000 0.413 422 T N 1.965 116.452 114.554 -0.111 0.000 3.093 422 T HA -0.007 4.343 4.350 0.000 0.000 0.270 422 T C 1.196 175.887 174.700 -0.015 0.000 1.170 422 T CA 0.952 63.026 62.100 -0.043 0.000 1.072 422 T CB -0.340 68.506 68.868 -0.036 0.000 0.863 422 T HN 0.493 nan 8.240 nan 0.000 0.562 423 N N -0.694 117.996 118.700 -0.017 0.000 2.297 423 N HA 0.107 4.847 4.740 0.000 0.000 0.247 423 N C -0.354 175.188 175.510 0.052 0.000 1.138 423 N CA 0.101 53.166 53.050 0.024 0.000 0.813 423 N CB 1.269 39.779 38.487 0.038 0.000 1.496 423 N HN 0.148 nan 8.380 nan 0.000 0.480 424 V N 5.112 125.056 119.914 0.050 0.000 2.293 424 V HA 0.259 4.379 4.120 0.000 0.000 0.275 424 V C -1.503 174.739 176.094 0.247 0.000 1.021 424 V CA -1.130 61.244 62.300 0.123 0.000 0.815 424 V CB 2.411 34.311 31.823 0.129 0.000 1.025 424 V HN 0.051 nan 8.190 nan 0.000 0.448 425 P HA -0.027 nan 4.420 nan 0.000 0.227 425 P C 0.617 177.957 177.300 0.068 0.000 1.161 425 P CA 0.619 63.814 63.100 0.160 0.000 0.788 425 P CB 0.607 32.350 31.700 0.071 0.000 0.822 426 K N 0.203 120.640 120.400 0.062 0.000 3.127 426 K HA 0.156 4.476 4.320 0.000 0.000 0.236 426 K C -0.287 176.314 176.600 0.002 0.000 1.271 426 K CA -0.597 55.670 56.287 -0.034 0.000 1.224 426 K CB -0.309 32.165 32.500 -0.044 0.000 1.482 426 K HN 0.204 nan 8.250 nan 0.000 0.435 427 Y N -2.027 118.237 120.300 -0.060 0.000 2.549 427 Y HA 0.555 5.105 4.550 0.000 0.000 0.339 427 Y C -0.485 175.359 175.900 -0.094 0.000 1.053 427 Y CA -1.048 57.017 58.100 -0.058 0.000 1.105 427 Y CB 1.222 39.658 38.460 -0.040 0.000 1.258 427 Y HN -0.024 nan 8.280 nan 0.000 0.478 428 E N 0.938 121.031 120.200 -0.177 0.000 2.423 428 E HA 0.426 4.776 4.350 0.000 0.000 0.269 428 E C -1.697 174.728 176.600 -0.292 0.000 0.948 428 E CA -1.430 54.748 56.400 -0.370 0.000 0.802 428 E CB 2.317 31.998 29.700 -0.030 0.000 1.339 428 E HN 0.524 nan 8.360 nan 0.000 0.445 429 Q N 1.419 120.839 119.800 -0.634 0.000 2.430 429 Q HA 0.302 4.642 4.340 0.000 0.000 0.253 429 Q C -2.203 173.184 176.000 -1.022 0.000 0.945 429 Q CA -0.198 55.128 55.803 -0.794 0.000 0.964 429 Q CB 0.910 29.494 28.738 -0.257 0.000 1.460 429 Q HN 0.518 nan 8.270 nan 0.000 0.428 430 F N 0.922 120.243 119.950 -1.048 0.000 2.726 430 F HA 0.566 5.093 4.527 0.000 0.000 0.324 430 F C -0.016 175.581 175.800 -0.338 0.000 1.140 430 F CA -0.823 56.891 58.000 -0.478 0.000 0.964 430 F CB 1.151 40.043 39.000 -0.180 0.000 1.399 430 F HN 0.373 nan 8.300 nan 0.000 0.491 431 L N 0.978 122.300 121.223 0.165 0.000 2.399 431 L HA 0.192 4.532 4.340 0.000 0.000 0.266 431 L C 0.505 177.520 176.870 0.242 0.000 1.114 431 L CA -0.566 54.385 54.840 0.185 0.000 0.804 431 L CB 1.257 43.396 42.059 0.134 0.000 1.146 431 L HN 0.821 nan 8.230 nan 0.000 0.451 432 C N 0.139 119.483 119.300 0.074 0.000 2.448 432 C HA -0.090 4.370 4.460 0.000 0.000 0.280 432 C C 2.440 177.322 174.990 -0.179 0.000 1.398 432 C CA 0.271 59.082 59.018 -0.345 0.000 1.774 432 C CB -1.103 25.551 27.740 -1.810 0.000 1.888 432 C HN 0.933 nan 8.230 nan 0.000 0.519 433 K N 2.135 122.551 120.400 0.026 0.000 2.001 433 K HA -0.139 4.181 4.320 0.000 0.000 0.208 433 K C 1.470 178.181 176.600 0.185 0.000 1.048 433 K CA 1.900 58.310 56.287 0.206 0.000 0.932 433 K CB -0.322 32.295 32.500 0.195 0.000 0.715 433 K HN 0.400 nan 8.250 nan 0.000 0.437 434 E N 1.305 121.600 120.200 0.158 0.000 2.021 434 E HA -0.034 4.316 4.350 0.000 0.000 0.189 434 E C 0.663 177.341 176.600 0.130 0.000 0.980 434 E CA 0.915 57.398 56.400 0.138 0.000 0.803 434 E CB 0.006 29.790 29.700 0.140 0.000 0.766 434 E HN 0.216 nan 8.360 nan 0.000 0.449 435 S N 0.904 116.707 115.700 0.171 0.000 2.494 435 S HA 0.203 4.673 4.470 0.000 0.000 0.312 435 S C 0.866 175.586 174.600 0.201 0.000 1.121 435 S CA -0.232 58.055 58.200 0.145 0.000 1.068 435 S CB 0.020 63.364 63.200 0.241 0.000 1.141 435 S HN 0.356 nan 8.310 nan 0.000 0.527 436 G N 3.546 112.433 108.800 0.146 0.000 3.231 436 G HA2 0.380 4.340 3.960 0.000 0.000 0.213 436 G HA3 0.380 4.340 3.960 0.000 0.000 0.213 436 G C 0.889 175.903 174.900 0.190 0.000 1.058 436 G CA 0.265 45.478 45.100 0.188 0.000 1.643 436 G HN 1.403 nan 8.290 nan 0.000 0.548 437 G N -1.439 107.464 108.800 0.173 0.000 2.297 437 G HA2 0.495 4.455 3.960 0.000 0.000 0.209 437 G HA3 0.495 4.455 3.960 0.000 0.000 0.209 437 G C -0.554 174.119 174.900 -0.378 0.000 1.267 437 G CA -0.198 44.935 45.100 0.056 0.000 1.127 437 G HN 1.619 nan 8.290 nan 0.000 0.498 438 A N -1.110 121.398 122.820 -0.520 0.000 2.455 438 A HA 0.756 5.076 4.320 0.000 0.000 0.300 438 A C -1.461 176.036 177.584 -0.145 0.000 1.040 438 A CA -0.177 51.294 52.037 -0.944 0.000 0.697 438 A CB 1.812 19.427 19.000 -2.308 0.000 1.265 438 A HN 2.169 nan 8.150 nan 0.000 0.407 439 Y N 3.508 123.731 120.300 -0.128 0.000 2.331 439 Y HA 0.680 5.230 4.550 0.000 0.000 0.334 439 Y C -0.680 175.307 175.900 0.144 0.000 0.960 439 Y CA -1.633 56.459 58.100 -0.013 0.000 1.130 439 Y CB 1.216 39.659 38.460 -0.029 0.000 1.164 439 Y HN 0.784 nan 8.280 nan 0.000 0.458 440 I N 4.220 124.646 120.570 -0.240 0.000 2.530 440 I HA 0.794 4.964 4.170 0.000 0.000 0.297 440 I C -1.605 174.310 176.117 -0.337 0.000 1.011 440 I CA -1.175 60.003 61.300 -0.204 0.000 1.107 440 I CB 2.137 40.027 38.000 -0.183 0.000 1.285 440 I HN 0.309 nan 8.210 nan 0.000 0.436 441 V N 5.524 125.385 119.914 -0.088 0.000 2.326 441 V HA 0.353 4.473 4.120 0.000 0.000 0.281 441 V C 0.062 176.159 176.094 0.005 0.000 1.015 441 V CA -0.449 61.790 62.300 -0.101 0.000 0.823 441 V CB 0.656 32.351 31.823 -0.212 0.000 1.009 441 V HN 0.678 nan 8.190 nan 0.000 0.436 442 H N 4.401 123.656 119.070 0.308 0.000 2.771 442 H HA 0.352 4.908 4.556 0.000 0.000 0.364 442 H C -0.572 174.946 175.328 0.318 0.000 1.133 442 H CA 0.536 56.836 56.048 0.419 0.000 1.423 442 H CB 1.214 31.392 29.762 0.693 0.000 1.425 442 H HN 0.777 nan 8.280 nan 0.000 0.606 443 Y N -0.864 119.347 120.300 -0.149 0.000 2.609 443 Y HA 0.238 4.788 4.550 0.000 0.000 0.336 443 Y C -0.648 174.713 175.900 -0.898 0.000 1.129 443 Y CA -1.381 56.387 58.100 -0.553 0.000 1.040 443 Y CB 1.267 39.524 38.460 -0.339 0.000 1.310 443 Y HN 0.438 nan 8.280 nan 0.000 0.460 444 K N 4.475 124.172 120.400 -1.171 0.000 2.319 444 K HA 0.016 4.336 4.320 0.000 0.000 0.277 444 K C -0.159 175.784 176.600 -1.096 0.000 1.111 444 K CA 0.307 56.122 56.287 -0.786 0.000 1.093 444 K CB 0.265 32.846 32.500 0.136 0.000 0.910 444 K HN 1.072 nan 8.250 nan 0.000 0.452 445 M N 3.943 123.045 119.600 -0.829 0.000 2.740 445 M HA -0.035 4.446 4.480 0.000 0.000 0.253 445 M C 0.803 176.988 176.300 -0.192 0.000 1.341 445 M CA 0.235 55.148 55.300 -0.646 0.000 1.176 445 M CB 0.134 32.565 32.600 -0.282 0.000 1.310 445 M HN 0.599 nan 8.290 nan 0.000 0.531 446 N N 2.423 121.072 118.700 -0.085 0.000 1.997 446 N HA -0.144 4.596 4.740 0.000 0.000 0.198 446 N C 0.420 175.938 175.510 0.015 0.000 1.070 446 N CA 1.699 54.760 53.050 0.018 0.000 0.864 446 N CB -0.733 37.795 38.487 0.069 0.000 1.066 446 N HN 0.552 nan 8.380 nan 0.000 0.425 447 N N 0.359 119.072 118.700 0.022 0.000 2.319 447 N HA 0.274 5.014 4.740 0.000 0.000 0.305 447 N C -2.492 173.031 175.510 0.022 0.000 1.103 447 N CA -1.769 51.298 53.050 0.029 0.000 0.815 447 N CB 2.085 40.598 38.487 0.043 0.000 1.288 447 N HN -0.083 nan 8.380 nan 0.000 0.493 448 P HA -0.100 nan 4.420 nan 0.000 0.231 448 P C -0.517 176.763 177.300 -0.033 0.000 1.154 448 P CA 0.700 63.798 63.100 -0.003 0.000 0.762 448 P CB 0.108 31.811 31.700 0.005 0.000 0.790 449 V N -1.390 118.523 119.914 -0.002 0.000 3.130 449 V HA 0.319 4.439 4.120 0.000 0.000 0.310 449 V C 0.209 176.395 176.094 0.154 0.000 1.158 449 V CA -0.913 61.372 62.300 -0.026 0.000 1.029 449 V CB 1.872 33.688 31.823 -0.012 0.000 1.057 449 V HN -0.166 nan 8.190 nan 0.000 0.436 450 F N 1.440 121.368 119.950 -0.038 0.000 2.669 450 F HA 0.233 4.760 4.527 0.000 0.000 0.353 450 F C 1.196 176.975 175.800 -0.036 0.000 1.192 450 F CA -0.131 57.854 58.000 -0.025 0.000 1.317 450 F CB 0.117 39.085 39.000 -0.053 0.000 1.652 450 F HN 0.684 nan 8.300 nan 0.000 0.608 451 E N 1.384 121.673 120.200 0.149 0.000 2.458 451 E HA -0.058 4.292 4.350 0.000 0.000 0.264 451 E C -0.154 176.439 176.600 -0.012 0.000 1.097 451 E CA -0.469 55.961 56.400 0.049 0.000 0.973 451 E CB 0.752 30.470 29.700 0.031 0.000 0.963 451 E HN 0.244 nan 8.360 nan 0.000 0.451 452 M N 1.934 121.504 119.600 -0.050 0.000 2.180 452 M HA 0.150 4.630 4.480 0.000 0.000 0.358 452 M C -0.836 175.362 176.300 -0.169 0.000 1.233 452 M CA 0.289 55.518 55.300 -0.119 0.000 1.114 452 M CB 1.518 34.063 32.600 -0.092 0.000 1.594 452 M HN 0.257 nan 8.290 nan 0.000 0.467 453 T N 4.477 118.831 114.554 -0.333 0.000 2.853 453 T HA 0.670 5.020 4.350 0.000 0.000 0.317 453 T C 0.187 174.665 174.700 -0.370 0.000 1.059 453 T CA -0.537 61.341 62.100 -0.370 0.000 0.954 453 T CB 0.094 68.622 68.868 -0.568 0.000 0.994 453 T HN 0.827 nan 8.240 nan 0.000 0.479 454 G N 1.296 110.003 108.800 -0.154 0.000 2.820 454 G HA2 0.470 4.430 3.960 0.000 0.000 0.291 454 G HA3 0.470 4.430 3.960 0.000 0.000 0.291 454 G C 0.773 175.671 174.900 -0.004 0.000 1.323 454 G CA -0.586 44.468 45.100 -0.077 0.000 1.055 454 G HN 0.537 nan 8.290 nan 0.000 0.520 455 E N 0.206 120.407 120.200 0.002 0.000 2.348 455 E HA -0.401 3.949 4.350 0.000 0.000 0.234 455 E C 2.173 178.836 176.600 0.105 0.000 1.110 455 E CA 2.928 59.355 56.400 0.044 0.000 0.987 455 E CB -0.326 29.379 29.700 0.007 0.000 0.834 455 E HN 0.717 nan 8.360 nan 0.000 0.468 456 E N 0.291 120.526 120.200 0.059 0.000 2.217 456 E HA -0.307 4.043 4.350 0.000 0.000 0.219 456 E C 0.207 176.854 176.600 0.079 0.000 1.070 456 E CA 1.907 58.341 56.400 0.057 0.000 0.889 456 E CB -0.921 28.799 29.700 0.033 0.000 0.768 456 E HN 0.624 nan 8.360 nan 0.000 0.465 457 N N 0.266 119.033 118.700 0.112 0.000 2.813 457 N HA 0.181 4.921 4.740 0.000 0.000 0.282 457 N C -1.446 174.177 175.510 0.189 0.000 1.748 457 N CA -0.578 52.546 53.050 0.125 0.000 0.860 457 N CB 0.104 38.673 38.487 0.137 0.000 1.204 457 N HN 0.113 nan 8.380 nan 0.000 0.490 458 F N 1.064 121.018 119.950 0.005 0.000 2.532 458 F HA 0.835 5.362 4.527 0.000 0.000 0.321 458 F C -0.012 175.716 175.800 -0.120 0.000 1.089 458 F CA 0.149 58.128 58.000 -0.035 0.000 0.926 458 F CB 1.867 40.859 39.000 -0.015 0.000 1.168 458 F HN 0.450 nan 8.300 nan 0.000 0.459 459 G N 2.209 110.177 108.800 -1.386 0.000 2.336 459 G HA2 0.381 4.341 3.960 0.000 0.000 0.300 459 G HA3 0.381 4.341 3.960 0.000 0.000 0.300 459 G C -0.942 173.308 174.900 -1.084 0.000 1.375 459 G CA -0.415 43.969 45.100 -1.193 0.000 0.885 459 G HN 1.095 nan 8.290 nan 0.000 0.599 460 G N 0.356 108.700 108.800 -0.761 0.000 2.588 460 G HA2 0.554 4.514 3.960 0.000 0.000 0.297 460 G HA3 0.554 4.514 3.960 0.000 0.000 0.297 460 G C 0.321 174.874 174.900 -0.578 0.000 0.874 460 G CA -0.147 44.546 45.100 -0.678 0.000 1.607 460 G HN 0.946 nan 8.290 nan 0.000 0.486 461 F N 0.637 120.256 119.950 -0.551 0.000 2.518 461 F HA 0.390 4.917 4.527 0.000 0.000 0.359 461 F C 0.695 176.029 175.800 -0.777 0.000 1.118 461 F CA -1.770 55.809 58.000 -0.702 0.000 1.287 461 F CB 0.471 38.893 39.000 -0.964 0.000 1.132 461 F HN 0.554 nan 8.300 nan 0.000 0.587 462 Q N 2.129 121.643 119.800 -0.477 0.000 2.309 462 Q HA 0.555 4.895 4.340 0.000 0.000 0.270 462 Q C -1.838 173.875 176.000 -0.480 0.000 1.023 462 Q CA -0.706 54.858 55.803 -0.398 0.000 0.758 462 Q CB 1.142 29.787 28.738 -0.156 0.000 1.247 462 Q HN 0.526 nan 8.270 nan 0.000 0.455 463 F N 3.377 123.195 119.950 -0.221 0.000 2.443 463 F HA 0.242 4.769 4.527 0.000 0.000 0.353 463 F C 0.999 176.711 175.800 -0.145 0.000 1.101 463 F CA -0.249 57.592 58.000 -0.265 0.000 1.226 463 F CB 0.540 39.342 39.000 -0.331 0.000 1.140 463 F HN 0.581 nan 8.300 nan 0.000 0.557 464 H N 1.020 120.184 119.070 0.157 0.000 2.710 464 H HA 0.681 5.237 4.556 0.000 0.000 0.361 464 H C -1.911 173.617 175.328 0.333 0.000 1.175 464 H CA -0.995 55.204 56.048 0.251 0.000 1.206 464 H CB 2.305 32.175 29.762 0.179 0.000 1.750 464 H HN 0.702 nan 8.280 nan 0.000 0.553 465 Y N 0.268 120.794 120.300 0.376 0.000 2.638 465 Y HA 0.205 4.755 4.550 0.000 0.000 0.334 465 Y C -2.926 173.120 175.900 0.243 0.000 1.182 465 Y CA -2.025 56.225 58.100 0.249 0.000 1.102 465 Y CB 1.742 40.273 38.460 0.118 0.000 1.343 465 Y HN 0.544 nan 8.280 nan 0.000 0.463 466 P HA 0.239 nan 4.420 nan 0.000 0.267 466 P C 0.628 177.872 177.300 -0.092 0.000 1.200 466 P CA 2.180 65.150 63.100 -0.217 0.000 0.772 466 P CB 0.794 32.278 31.700 -0.360 0.000 0.855 467 G N 1.899 110.699 108.800 -0.001 0.000 2.900 467 G HA2 -0.323 3.637 3.960 0.000 0.000 0.223 467 G HA3 -0.323 3.637 3.960 0.000 0.000 0.223 467 G C -0.017 174.960 174.900 0.129 0.000 1.293 467 G CA 0.154 45.290 45.100 0.060 0.000 0.792 467 G HN 0.605 nan 8.290 nan 0.000 0.527 468 Y N 3.709 124.070 120.300 0.102 0.000 2.729 468 Y HA 0.449 4.999 4.550 0.000 0.000 0.331 468 Y C 0.159 176.096 175.900 0.063 0.000 1.208 468 Y CA -0.211 57.949 58.100 0.100 0.000 1.521 468 Y CB 0.502 39.054 38.460 0.153 0.000 1.233 468 Y HN 0.238 nan 8.280 nan 0.000 0.539 469 D N 9.546 129.585 120.400 -0.602 0.000 2.347 469 D HA 0.173 4.813 4.640 0.000 0.000 0.235 469 D C -1.547 174.298 176.300 -0.759 0.000 1.149 469 D CA -2.327 51.373 54.000 -0.500 0.000 0.850 469 D CB 1.355 41.985 40.800 -0.283 0.000 1.061 469 D HN 0.378 nan 8.370 nan 0.000 0.487 470 P HA -0.240 nan 4.420 nan 0.000 0.218 470 P C 1.185 178.361 177.300 -0.206 0.000 1.146 470 P CA 0.898 63.838 63.100 -0.267 0.000 0.820 470 P CB 0.441 32.074 31.700 -0.111 0.000 0.778 471 E N 0.566 120.642 120.200 -0.207 0.000 2.086 471 E HA -0.227 4.123 4.350 0.000 0.000 0.200 471 E C 1.692 178.226 176.600 -0.110 0.000 1.012 471 E CA 1.243 57.564 56.400 -0.131 0.000 0.812 471 E CB -0.426 29.200 29.700 -0.123 0.000 0.743 471 E HN 0.287 nan 8.360 nan 0.000 0.453 472 N N 0.984 119.584 118.700 -0.167 0.000 2.573 472 N HA -0.070 4.670 4.740 0.000 0.000 0.187 472 N C -0.231 175.305 175.510 0.043 0.000 1.107 472 N CA 0.296 53.313 53.050 -0.053 0.000 0.918 472 N CB -0.282 38.190 38.487 -0.024 0.000 0.966 472 N HN 0.214 nan 8.380 nan 0.000 0.448 473 N N 0.525 119.244 118.700 0.031 0.000 2.530 473 N HA 0.214 4.954 4.740 0.000 0.000 0.273 473 N C 0.567 176.088 175.510 0.018 0.000 1.173 473 N CA -0.374 52.719 53.050 0.072 0.000 0.967 473 N CB 1.063 39.592 38.487 0.070 0.000 1.109 473 N HN 0.063 nan 8.380 nan 0.000 0.453 474 A N 1.229 124.054 122.820 0.008 0.000 2.394 474 A HA 0.108 4.428 4.320 0.000 0.000 0.256 474 A C 0.737 178.303 177.584 -0.031 0.000 1.700 474 A CA 0.754 52.782 52.037 -0.015 0.000 0.887 474 A CB -0.268 18.713 19.000 -0.031 0.000 1.487 474 A HN 0.630 nan 8.150 nan 0.000 0.641 475 L N -3.498 117.692 121.223 -0.055 0.000 3.617 475 L HA 0.358 4.698 4.340 0.000 0.000 0.336 475 L C 1.001 177.814 176.870 -0.095 0.000 1.141 475 L CA 1.133 55.936 54.840 -0.063 0.000 1.225 475 L CB 0.019 42.046 42.059 -0.052 0.000 1.725 475 L HN 0.826 nan 8.230 nan 0.000 0.621 476 G N -0.789 107.928 108.800 -0.138 0.000 2.702 476 G HA2 0.401 4.361 3.960 0.000 0.000 0.254 476 G HA3 0.401 4.361 3.960 0.000 0.000 0.254 476 G C -1.059 173.727 174.900 -0.191 0.000 1.380 476 G CA -0.554 44.416 45.100 -0.218 0.000 1.042 476 G HN -0.094 nan 8.290 nan 0.000 0.557 477 L N 1.365 122.439 121.223 -0.247 0.000 2.454 477 L HA 0.398 4.738 4.340 0.000 0.000 0.284 477 L C 0.714 177.597 176.870 0.021 0.000 1.139 477 L CA -0.125 54.686 54.840 -0.048 0.000 0.911 477 L CB -1.115 41.057 42.059 0.188 0.000 1.262 477 L HN 0.422 nan 8.230 nan 0.000 0.453 478 R N 2.708 123.192 120.500 -0.025 0.000 3.084 478 R HA 0.858 5.198 4.340 0.000 0.000 0.234 478 R C 0.058 176.342 176.300 -0.026 0.000 1.433 478 R CA -0.740 55.371 56.100 0.017 0.000 1.053 478 R CB 0.638 30.928 30.300 -0.017 0.000 1.449 478 R HN 0.689 nan 8.270 nan 0.000 0.505 479 G N 0.532 109.341 108.800 0.016 0.000 2.855 479 G HA2 -0.232 3.728 3.960 0.000 0.000 0.352 479 G HA3 -0.232 3.728 3.960 0.000 0.000 0.352 479 G C -0.660 174.138 174.900 -0.170 0.000 1.415 479 G CA -0.697 44.385 45.100 -0.030 0.000 0.871 479 G HN 0.354 nan 8.290 nan 0.000 0.543 480 I N 0.065 120.468 120.570 -0.278 0.000 2.505 480 I HA 0.344 4.514 4.170 0.000 0.000 0.287 480 I C 0.902 176.277 176.117 -1.236 0.000 1.104 480 I CA -0.054 60.640 61.300 -1.010 0.000 1.387 480 I CB 0.944 38.780 38.000 -0.274 0.000 1.404 480 I HN 0.409 nan 8.210 nan 0.000 0.528 481 V N 6.392 125.357 119.914 -1.580 0.000 2.383 481 V HA 0.586 4.706 4.120 0.000 0.000 0.275 481 V C -0.112 175.604 176.094 -0.630 0.000 1.036 481 V CA -0.050 61.696 62.300 -0.924 0.000 0.889 481 V CB 1.261 32.882 31.823 -0.336 0.000 0.985 481 V HN 0.867 nan 8.190 nan 0.000 0.459 482 D N 2.291 122.241 120.400 -0.749 0.000 2.809 482 D HA 0.319 4.959 4.640 0.000 0.000 0.336 482 D C -0.804 175.592 176.300 0.161 0.000 1.367 482 D CA -0.283 53.718 54.000 0.002 0.000 0.815 482 D CB 1.685 42.538 40.800 0.088 0.000 1.381 482 D HN 0.439 nan 8.370 nan 0.000 0.471 483 T N 0.603 115.470 114.554 0.522 0.000 2.902 483 T HA 0.567 4.917 4.350 0.000 0.000 0.283 483 T C -0.751 174.348 174.700 0.665 0.000 1.009 483 T CA -0.309 62.137 62.100 0.577 0.000 1.051 483 T CB 0.590 69.813 68.868 0.593 0.000 0.999 483 T HN 0.227 nan 8.240 nan 0.000 0.474 484 F N 2.077 122.257 119.950 0.385 0.000 2.469 484 F HA 0.460 4.987 4.527 0.000 0.000 0.332 484 F C 0.215 176.153 175.800 0.230 0.000 1.103 484 F CA -1.633 56.573 58.000 0.343 0.000 0.979 484 F CB 1.572 40.728 39.000 0.259 0.000 1.137 484 F HN 0.470 nan 8.300 nan 0.000 0.463 485 E N 4.297 124.374 120.200 -0.206 0.000 2.159 485 E HA -0.028 4.323 4.350 0.000 0.000 0.272 485 E C 0.887 177.423 176.600 -0.106 0.000 1.138 485 E CA 0.214 56.495 56.400 -0.197 0.000 0.915 485 E CB -0.057 29.559 29.700 -0.140 0.000 1.028 485 E HN 0.565 nan 8.360 nan 0.000 0.423 486 N N 4.788 123.475 118.700 -0.020 0.000 2.666 486 N HA -0.164 4.576 4.740 0.000 0.000 0.194 486 N C -0.202 175.355 175.510 0.078 0.000 1.220 486 N CA 0.707 53.804 53.050 0.079 0.000 0.928 486 N CB 0.152 38.664 38.487 0.042 0.000 0.997 486 N HN 0.408 nan 8.380 nan 0.000 0.447 487 N N -0.666 118.081 118.700 0.079 0.000 2.804 487 N HA 0.076 4.816 4.740 0.000 0.000 0.250 487 N C -0.437 175.147 175.510 0.125 0.000 1.024 487 N CA -0.151 52.969 53.050 0.117 0.000 0.995 487 N CB -0.258 38.326 38.487 0.162 0.000 1.690 487 N HN -0.028 nan 8.380 nan 0.000 0.515 488 F N 3.117 123.047 119.950 -0.034 0.000 2.607 488 F HA 0.024 4.551 4.527 0.000 0.000 0.374 488 F C 1.574 177.433 175.800 0.099 0.000 1.104 488 F CA -0.691 57.331 58.000 0.037 0.000 1.296 488 F CB 0.265 39.300 39.000 0.057 0.000 1.085 488 F HN -0.062 nan 8.300 nan 0.000 0.584 489 S N 1.863 117.716 115.700 0.255 0.000 2.576 489 S HA 0.448 4.918 4.470 0.000 0.000 0.276 489 S C -0.099 174.857 174.600 0.594 0.000 1.339 489 S CA -1.020 57.406 58.200 0.378 0.000 1.039 489 S CB 0.747 64.177 63.200 0.384 0.000 0.902 489 S HN 0.509 nan 8.310 nan 0.000 0.516 490 S N 1.432 117.440 115.700 0.515 0.000 2.646 490 S HA 0.821 5.291 4.470 0.000 0.000 0.276 490 S C -0.047 174.791 174.600 0.396 0.000 1.222 490 S CA -0.523 57.963 58.200 0.476 0.000 1.014 490 S CB 1.239 64.734 63.200 0.492 0.000 0.991 490 S HN 1.279 nan 8.310 nan 0.000 0.533 491 A N 0.850 123.816 122.820 0.244 0.000 2.539 491 A HA 0.809 5.129 4.320 0.000 0.000 0.296 491 A C -0.790 176.663 177.584 -0.218 0.000 1.073 491 A CA -0.855 51.073 52.037 -0.182 0.000 0.700 491 A CB 1.254 19.683 19.000 -0.950 0.000 1.296 491 A HN 1.206 nan 8.150 nan 0.000 0.405 492 V N -1.230 118.518 119.914 -0.276 0.000 2.876 492 V HA 0.919 5.039 4.120 0.000 0.000 0.312 492 V C -0.901 174.911 176.094 -0.470 0.000 1.085 492 V CA -0.806 61.284 62.300 -0.349 0.000 0.945 492 V CB 1.434 33.046 31.823 -0.353 0.000 1.017 492 V HN 0.863 nan 8.190 nan 0.000 0.428 493 V N 3.972 123.551 119.914 -0.558 0.000 2.524 493 V HA 0.516 4.636 4.120 0.000 0.000 0.297 493 V C -0.990 174.764 176.094 -0.567 0.000 1.035 493 V CA -0.344 61.622 62.300 -0.555 0.000 0.867 493 V CB 1.623 33.053 31.823 -0.656 0.000 1.004 493 V HN 1.020 nan 8.190 nan 0.000 0.426 494 H N 4.753 123.698 119.070 -0.208 0.000 2.488 494 H HA 0.497 5.053 4.556 0.000 0.000 0.322 494 H C -1.003 174.137 175.328 -0.314 0.000 1.078 494 H CA -0.449 55.478 56.048 -0.202 0.000 1.260 494 H CB 1.361 31.017 29.762 -0.177 0.000 1.425 494 H HN 0.434 nan 8.280 nan 0.000 0.471 495 F N 1.355 121.242 119.950 -0.104 0.000 2.421 495 F HA 0.110 4.637 4.527 0.000 0.000 0.337 495 F C 0.761 176.387 175.800 -0.290 0.000 1.105 495 F CA -0.488 57.407 58.000 -0.174 0.000 1.049 495 F CB 1.567 40.464 39.000 -0.172 0.000 1.139 495 F HN 0.598 nan 8.300 nan 0.000 0.479 496 W N 1.849 122.816 121.300 -0.555 0.000 3.434 496 W HA 0.268 4.928 4.660 0.000 0.000 0.238 496 W C 1.870 178.236 176.519 -0.254 0.000 0.910 496 W CA 0.606 57.626 57.345 -0.541 0.000 2.222 496 W CB -0.276 28.608 29.460 -0.960 0.000 1.131 496 W HN 0.497 nan 8.180 nan 0.000 0.636 497 G N 2.125 111.052 108.800 0.211 0.000 3.295 497 G HA2 0.110 4.070 3.960 0.000 0.000 0.231 497 G HA3 0.110 4.070 3.960 0.000 0.000 0.231 497 G C 0.200 175.156 174.900 0.092 0.000 1.277 497 G CA -0.298 44.913 45.100 0.185 0.000 1.013 497 G HN 0.086 nan 8.290 nan 0.000 0.509 498 I N 0.539 121.082 120.570 -0.045 0.000 2.836 498 I HA 0.063 4.233 4.170 0.000 0.000 0.285 498 I C 0.811 177.020 176.117 0.152 0.000 1.174 498 I CA 0.123 61.448 61.300 0.042 0.000 1.405 498 I CB 1.238 39.028 38.000 -0.351 0.000 1.385 498 I HN 0.068 nan 8.210 nan 0.000 0.594 499 S N 3.810 119.703 115.700 0.323 0.000 2.480 499 S HA 0.165 4.635 4.470 0.000 0.000 0.286 499 S C 0.794 175.690 174.600 0.493 0.000 1.180 499 S CA -0.658 57.742 58.200 0.333 0.000 1.075 499 S CB 1.255 64.575 63.200 0.200 0.000 0.996 499 S HN 0.646 nan 8.310 nan 0.000 0.487 500 Q N 2.764 122.711 119.800 0.244 0.000 2.242 500 Q HA -0.118 4.222 4.340 0.000 0.000 0.211 500 Q C 1.377 177.304 176.000 -0.121 0.000 0.992 500 Q CA 1.773 57.381 55.803 -0.325 0.000 0.889 500 Q CB -0.280 28.211 28.738 -0.411 0.000 0.913 500 Q HN 0.717 nan 8.270 nan 0.000 0.422 501 S N -0.039 115.665 115.700 0.006 0.000 2.720 501 S HA 0.230 4.700 4.470 0.000 0.000 0.222 501 S C 0.243 174.854 174.600 0.018 0.000 0.958 501 S CA 0.095 58.290 58.200 -0.009 0.000 0.943 501 S CB 0.095 63.292 63.200 -0.005 0.000 0.779 501 S HN 0.351 nan 8.310 nan 0.000 0.526 502 A N 1.601 124.492 122.820 0.118 0.000 2.380 502 A HA 0.754 5.074 4.320 0.000 0.000 0.315 502 A C 0.020 177.725 177.584 0.201 0.000 1.101 502 A CA -0.759 51.311 52.037 0.055 0.000 0.771 502 A CB 1.203 20.182 19.000 -0.035 0.000 1.287 502 A HN 0.251 nan 8.150 nan 0.000 0.436 503 T N -0.642 113.951 114.554 0.064 0.000 2.886 503 T HA 0.643 4.993 4.350 0.000 0.000 0.292 503 T C -0.627 174.087 174.700 0.024 0.000 1.012 503 T CA -0.242 61.940 62.100 0.138 0.000 0.982 503 T CB 0.895 69.808 68.868 0.074 0.000 1.018 503 T HN 0.422 nan 8.240 nan 0.000 0.451 504 I N 3.135 123.738 120.570 0.054 0.000 2.291 504 I HA 0.267 4.437 4.170 0.000 0.000 0.290 504 I C 0.055 176.141 176.117 -0.051 0.000 1.050 504 I CA -0.925 60.338 61.300 -0.062 0.000 1.245 504 I CB 1.135 39.034 38.000 -0.169 0.000 1.405 504 I HN 0.458 nan 8.210 nan 0.000 0.478 505 V N 6.030 125.898 119.914 -0.077 0.000 2.715 505 V HA 0.026 4.146 4.120 0.000 0.000 0.299 505 V C 0.035 176.028 176.094 -0.169 0.000 1.054 505 V CA -0.106 62.137 62.300 -0.095 0.000 1.077 505 V CB 1.140 32.913 31.823 -0.084 0.000 0.972 505 V HN 0.776 nan 8.190 nan 0.000 0.484 506 C N 5.390 124.571 119.300 -0.198 0.000 2.386 506 C HA 0.381 4.841 4.460 0.000 0.000 0.318 506 C C 0.275 175.109 174.990 -0.260 0.000 1.128 506 C CA -1.274 57.539 59.018 -0.343 0.000 1.438 506 C CB 0.052 27.560 27.740 -0.387 0.000 1.987 506 C HN 0.885 nan 8.230 nan 0.000 0.426 507 K N 1.874 122.116 120.400 -0.263 0.000 2.322 507 K HA 0.414 4.734 4.320 0.000 0.000 0.283 507 K C -0.147 176.328 176.600 -0.209 0.000 1.042 507 K CA 0.431 56.589 56.287 -0.215 0.000 0.958 507 K CB 0.537 32.951 32.500 -0.142 0.000 0.984 507 K HN 0.696 nan 8.250 nan 0.000 0.473 508 T N 3.964 118.392 114.554 -0.209 0.000 3.241 508 T HA 0.179 4.529 4.350 0.000 0.000 0.387 508 T C -1.041 173.618 174.700 -0.068 0.000 1.451 508 T CA -0.545 61.504 62.100 -0.086 0.000 1.363 508 T CB -0.232 68.637 68.868 0.002 0.000 1.074 508 T HN 0.341 nan 8.240 nan 0.000 0.598 509 Y N 2.854 123.184 120.300 0.050 0.000 2.613 509 Y HA 0.340 4.890 4.550 0.000 0.000 0.354 509 Y C 0.667 176.696 175.900 0.215 0.000 1.063 509 Y CA -0.507 57.640 58.100 0.079 0.000 1.384 509 Y CB 0.307 38.741 38.460 -0.042 0.000 1.199 509 Y HN 0.471 nan 8.280 nan 0.000 0.517 510 D N 2.732 123.361 120.400 0.382 0.000 2.629 510 D HA 0.446 5.086 4.640 0.000 0.000 0.250 510 D C -0.690 175.843 176.300 0.387 0.000 1.126 510 D CA -0.508 53.742 54.000 0.417 0.000 0.852 510 D CB 1.775 42.738 40.800 0.272 0.000 1.335 510 D HN 0.653 nan 8.370 nan 0.000 0.518 511 G N 3.737 112.677 108.800 0.235 0.000 2.683 511 G HA2 0.511 4.471 3.960 0.000 0.000 0.299 511 G HA3 0.511 4.471 3.960 0.000 0.000 0.299 511 G C -0.505 174.182 174.900 -0.355 0.000 1.432 511 G CA -0.950 44.057 45.100 -0.155 0.000 0.978 511 G HN 0.419 nan 8.290 nan 0.000 0.513 512 W N 1.744 122.983 121.300 -0.102 0.000 2.578 512 W HA 0.847 5.507 4.660 0.000 0.000 0.364 512 W C -0.881 175.639 176.519 0.002 0.000 1.144 512 W CA -1.304 56.024 57.345 -0.029 0.000 1.242 512 W CB 1.460 30.999 29.460 0.131 0.000 1.382 512 W HN 0.496 nan 8.180 nan 0.000 0.625 513 E N 0.762 121.043 120.200 0.135 0.000 2.274 513 E HA 0.504 4.854 4.350 0.000 0.000 0.269 513 E C -0.917 175.881 176.600 0.330 0.000 0.891 513 E CA -0.302 56.081 56.400 -0.030 0.000 0.784 513 E CB 1.808 31.458 29.700 -0.083 0.000 1.225 513 E HN 0.764 nan 8.360 nan 0.000 0.412 514 G N 1.403 110.460 108.800 0.427 0.000 3.086 514 G HA2 0.643 4.603 3.960 0.000 0.000 0.282 514 G HA3 0.643 4.603 3.960 0.000 0.000 0.282 514 G C -0.877 174.126 174.900 0.172 0.000 1.343 514 G CA -0.487 44.836 45.100 0.370 0.000 0.895 514 G HN 0.457 nan 8.290 nan 0.000 0.557 515 T N -2.255 112.353 114.554 0.090 0.000 2.876 515 T HA 0.675 5.025 4.350 0.000 0.000 0.289 515 T C -0.446 174.345 174.700 0.151 0.000 1.014 515 T CA -0.540 61.576 62.100 0.026 0.000 0.986 515 T CB 1.683 70.450 68.868 -0.169 0.000 1.021 515 T HN 0.493 nan 8.240 nan 0.000 0.458 516 T N 2.535 117.257 114.554 0.279 0.000 2.907 516 T HA 0.394 4.745 4.350 0.000 0.000 0.284 516 T C 0.862 175.667 174.700 0.176 0.000 1.004 516 T CA -0.685 61.538 62.100 0.206 0.000 1.063 516 T CB 1.587 70.581 68.868 0.210 0.000 0.992 516 T HN 0.793 nan 8.240 nan 0.000 0.483 517 N N 0.475 119.233 118.700 0.097 0.000 2.557 517 N HA 0.347 5.087 4.740 0.000 0.000 0.217 517 N C -0.347 175.187 175.510 0.041 0.000 1.062 517 N CA 0.089 53.179 53.050 0.067 0.000 0.863 517 N CB 0.606 39.115 38.487 0.036 0.000 1.390 517 N HN 0.796 nan 8.380 nan 0.000 0.445 518 A N -0.888 121.953 122.820 0.034 0.000 2.488 518 A HA 0.784 5.104 4.320 0.000 0.000 0.298 518 A C -0.460 177.142 177.584 0.029 0.000 1.044 518 A CA -0.117 51.933 52.037 0.022 0.000 0.693 518 A CB 1.284 20.289 19.000 0.008 0.000 1.272 518 A HN 0.417 nan 8.150 nan 0.000 0.402 519 G N -0.641 108.176 108.800 0.028 0.000 2.316 519 G HA2 0.556 4.516 3.960 0.000 0.000 0.296 519 G HA3 0.556 4.516 3.960 0.000 0.000 0.296 519 G C 0.132 175.051 174.900 0.033 0.000 1.399 519 G CA 0.581 45.704 45.100 0.037 0.000 0.833 519 G HN 1.835 nan 8.290 nan 0.000 0.565 520 S N -2.197 113.525 115.700 0.037 0.000 2.559 520 S HA 0.261 4.731 4.470 0.000 0.000 0.226 520 S C 1.349 175.973 174.600 0.040 0.000 1.030 520 S CA 1.420 59.636 58.200 0.026 0.000 0.956 520 S CB 0.829 64.039 63.200 0.017 0.000 0.900 520 S HN 0.602 nan 8.310 nan 0.000 0.510 521 T N 1.843 116.447 114.554 0.083 0.000 3.085 521 T HA 0.228 4.578 4.350 0.000 0.000 0.241 521 T C 1.794 176.654 174.700 0.267 0.000 0.988 521 T CA 0.864 63.051 62.100 0.146 0.000 1.117 521 T CB -0.151 68.816 68.868 0.166 0.000 0.978 521 T HN 0.187 nan 8.240 nan 0.000 0.454 522 V N 2.127 122.212 119.914 0.285 0.000 2.343 522 V HA -0.070 4.050 4.120 0.000 0.000 0.247 522 V C 2.873 179.179 176.094 0.353 0.000 1.051 522 V CA 2.025 64.581 62.300 0.426 0.000 1.036 522 V CB -1.678 30.330 31.823 0.307 0.000 0.654 522 V HN 0.576 nan 8.190 nan 0.000 0.451 523 G N 1.241 110.139 108.800 0.164 0.000 2.703 523 G HA2 -0.434 3.526 3.960 0.000 0.000 0.222 523 G HA3 -0.434 3.526 3.960 0.000 0.000 0.222 523 G C 1.430 176.321 174.900 -0.015 0.000 1.183 523 G CA 1.528 46.676 45.100 0.079 0.000 0.775 523 G HN 0.759 nan 8.290 nan 0.000 0.615 524 Q N -0.553 119.126 119.800 -0.202 0.000 2.458 524 Q HA -0.051 4.289 4.340 0.000 0.000 0.215 524 Q C 1.674 177.391 176.000 -0.472 0.000 0.989 524 Q CA 1.491 57.059 55.803 -0.391 0.000 0.895 524 Q CB -0.466 27.925 28.738 -0.578 0.000 0.934 524 Q HN 0.590 nan 8.270 nan 0.000 0.475 525 F N 0.432 120.389 119.950 0.012 0.000 2.695 525 F HA 0.430 4.957 4.527 0.000 0.000 0.303 525 F C 0.947 176.609 175.800 -0.230 0.000 1.091 525 F CA -0.407 57.523 58.000 -0.116 0.000 1.300 525 F CB 0.438 39.379 39.000 -0.098 0.000 1.071 525 F HN 0.058 nan 8.300 nan 0.000 0.578 526 A N 0.358 123.253 122.820 0.125 0.000 2.366 526 A HA 0.515 4.835 4.320 0.000 0.000 0.272 526 A C -0.389 177.392 177.584 0.329 0.000 1.135 526 A CA -0.009 52.143 52.037 0.191 0.000 0.804 526 A CB 0.110 19.302 19.000 0.320 0.000 1.064 526 A HN 0.261 nan 8.150 nan 0.000 0.499 527 H N 0.615 119.775 119.070 0.150 0.000 4.071 527 H HA 0.541 5.097 4.556 0.000 0.000 0.384 527 H C -0.024 175.386 175.328 0.137 0.000 1.441 527 H CA -0.610 55.502 56.048 0.106 0.000 1.200 527 H CB -0.056 29.744 29.762 0.065 0.000 0.860 527 H HN 0.519 nan 8.280 nan 0.000 0.765 528 T N 0.556 115.258 114.554 0.247 0.000 2.875 528 T HA 0.482 4.832 4.350 0.000 0.000 0.284 528 T C 0.614 175.374 174.700 0.099 0.000 0.995 528 T CA -0.403 61.789 62.100 0.154 0.000 1.060 528 T CB 1.021 69.947 68.868 0.096 0.000 0.967 528 T HN 0.679 nan 8.240 nan 0.000 0.476 529 G N 1.186 110.020 108.800 0.056 0.000 2.432 529 G HA2 0.443 4.403 3.960 0.000 0.000 0.239 529 G HA3 0.443 4.403 3.960 0.000 0.000 0.239 529 G C 0.308 175.210 174.900 0.005 0.000 1.291 529 G CA -0.584 44.518 45.100 0.004 0.000 0.863 529 G HN 1.030 nan 8.290 nan 0.000 0.560 530 A N 2.347 125.160 122.820 -0.013 0.000 2.540 530 A HA 0.342 4.662 4.320 0.000 0.000 0.239 530 A C 1.096 178.664 177.584 -0.027 0.000 1.061 530 A CA -0.060 51.969 52.037 -0.013 0.000 0.758 530 A CB 0.147 19.128 19.000 -0.030 0.000 0.991 530 A HN 0.902 nan 8.150 nan 0.000 0.502 531 E N 2.538 122.731 120.200 -0.011 0.000 2.459 531 E HA -0.093 4.257 4.350 0.000 0.000 0.264 531 E C 0.047 176.623 176.600 -0.041 0.000 1.055 531 E CA 0.089 56.479 56.400 -0.018 0.000 0.957 531 E CB 0.319 30.017 29.700 -0.005 0.000 0.952 531 E HN 0.656 nan 8.360 nan 0.000 0.448 532 E N 1.594 121.769 120.200 -0.043 0.000 2.271 532 E HA -0.098 4.252 4.350 0.000 0.000 0.255 532 E C -0.388 176.178 176.600 -0.057 0.000 1.177 532 E CA 0.215 56.579 56.400 -0.060 0.000 0.946 532 E CB 0.169 29.840 29.700 -0.049 0.000 1.009 532 E HN 0.300 nan 8.360 nan 0.000 0.451 533 E N 4.135 124.290 120.200 -0.076 0.000 2.411 533 E HA 0.021 4.371 4.350 0.000 0.000 0.228 533 E C -0.074 176.488 176.600 -0.063 0.000 1.169 533 E CA -0.118 56.248 56.400 -0.056 0.000 1.421 533 E CB 0.172 29.849 29.700 -0.038 0.000 1.333 533 E HN 0.682 nan 8.360 nan 0.000 0.434 534 D N 1.497 121.857 120.400 -0.066 0.000 2.565 534 D HA -0.263 4.377 4.640 0.000 0.000 0.189 534 D C 1.469 177.744 176.300 -0.042 0.000 1.052 534 D CA 1.537 55.500 54.000 -0.062 0.000 0.889 534 D CB 0.454 41.226 40.800 -0.047 0.000 0.911 534 D HN 0.285 nan 8.370 nan 0.000 0.464 535 E N -0.229 119.951 120.200 -0.034 0.000 2.058 535 E HA -0.125 4.225 4.350 0.000 0.000 0.194 535 E C 2.502 179.088 176.600 -0.022 0.000 0.997 535 E CA 0.711 57.094 56.400 -0.027 0.000 0.801 535 E CB -0.527 29.152 29.700 -0.035 0.000 0.746 535 E HN 0.287 nan 8.360 nan 0.000 0.450 536 V N 2.228 122.124 119.914 -0.029 0.000 2.229 536 V HA -0.233 3.887 4.120 0.000 0.000 0.243 536 V C 2.833 179.028 176.094 0.169 0.000 1.042 536 V CA 1.855 64.150 62.300 -0.009 0.000 1.000 536 V CB -1.254 30.570 31.823 0.001 0.000 0.637 536 V HN 0.213 nan 8.190 nan 0.000 0.446 537 V N -0.292 119.689 119.914 0.112 0.000 2.277 537 V HA -0.434 3.686 4.120 0.000 0.000 0.255 537 V C 2.360 178.515 176.094 0.103 0.000 1.074 537 V CA 2.916 65.248 62.300 0.054 0.000 1.058 537 V CB -1.281 30.411 31.823 -0.219 0.000 0.656 537 V HN 0.604 nan 8.190 nan 0.000 0.449 538 Q N 1.344 121.171 119.800 0.044 0.000 1.867 538 Q HA -0.294 4.046 4.340 0.000 0.000 0.243 538 Q C 2.099 178.173 176.000 0.123 0.000 1.036 538 Q CA 3.276 59.110 55.803 0.051 0.000 0.889 538 Q CB -0.999 27.756 28.738 0.028 0.000 0.983 538 Q HN 0.824 nan 8.270 nan 0.000 0.418 539 L N 0.230 121.540 121.223 0.145 0.000 2.081 539 L HA -0.104 4.236 4.340 0.000 0.000 0.212 539 L C 2.044 179.106 176.870 0.320 0.000 1.080 539 L CA 2.651 57.609 54.840 0.197 0.000 0.754 539 L CB -1.466 40.696 42.059 0.171 0.000 0.893 539 L HN 0.382 nan 8.230 nan 0.000 0.433 540 A N 1.865 124.978 122.820 0.488 0.000 1.862 540 A HA -0.361 3.959 4.320 0.000 0.000 0.217 540 A C 1.978 179.825 177.584 0.438 0.000 1.251 540 A CA 2.671 55.058 52.037 0.583 0.000 0.673 540 A CB -1.598 17.898 19.000 0.828 0.000 0.843 540 A HN 0.818 nan 8.150 nan 0.000 0.458 541 N N -0.369 118.614 118.700 0.472 0.000 2.635 541 N HA -0.153 4.587 4.740 0.000 0.000 0.191 541 N C 1.574 177.243 175.510 0.265 0.000 1.155 541 N CA 1.103 54.425 53.050 0.453 0.000 0.927 541 N CB -0.335 38.372 38.487 0.366 0.000 0.976 541 N HN 0.618 nan 8.380 nan 0.000 0.448 542 R N 0.600 121.219 120.500 0.198 0.000 2.055 542 R HA 0.153 4.493 4.340 0.000 0.000 0.226 542 R C 2.333 178.681 176.300 0.080 0.000 1.135 542 R CA 0.521 56.697 56.100 0.126 0.000 0.959 542 R CB -0.030 30.340 30.300 0.116 0.000 0.854 542 R HN 0.163 nan 8.270 nan 0.000 0.431 543 L N 0.680 121.950 121.223 0.078 0.000 1.961 543 L HA -0.229 4.111 4.340 0.000 0.000 0.210 543 L C 2.634 179.451 176.870 -0.087 0.000 1.072 543 L CA 1.257 56.100 54.840 0.006 0.000 0.749 543 L CB -0.718 41.338 42.059 -0.005 0.000 0.889 543 L HN 0.261 nan 8.230 nan 0.000 0.432 544 Q N -0.406 119.308 119.800 -0.143 0.000 2.182 544 Q HA -0.329 4.011 4.340 0.000 0.000 0.213 544 Q C 2.025 177.724 176.000 -0.501 0.000 1.000 544 Q CA 2.244 57.817 55.803 -0.384 0.000 0.889 544 Q CB -0.558 27.934 28.738 -0.409 0.000 0.932 544 Q HN 0.564 nan 8.270 nan 0.000 0.415 545 M N 1.168 120.631 119.600 -0.229 0.000 2.443 545 M HA -0.241 4.239 4.480 0.000 0.000 0.267 545 M C 1.819 178.034 176.300 -0.142 0.000 1.069 545 M CA 2.381 57.603 55.300 -0.130 0.000 1.085 545 M CB -0.488 32.142 32.600 0.050 0.000 1.243 545 M HN 0.264 nan 8.290 nan 0.000 0.464 546 E N 0.573 120.730 120.200 -0.071 0.000 2.501 546 E HA -0.070 4.280 4.350 0.000 0.000 0.203 546 E C 0.252 176.797 176.600 -0.092 0.000 1.072 546 E CA 0.256 56.621 56.400 -0.059 0.000 0.885 546 E CB -0.562 29.123 29.700 -0.024 0.000 0.813 546 E HN 0.514 nan 8.360 nan 0.000 0.556 547 L N 2.009 123.140 121.223 -0.153 0.000 2.346 547 L HA 0.243 4.583 4.340 0.000 0.000 0.274 547 L C -0.078 176.627 176.870 -0.275 0.000 1.007 547 L CA -1.006 53.734 54.840 -0.165 0.000 0.818 547 L CB 1.980 43.980 42.059 -0.099 0.000 1.284 547 L HN 0.051 nan 8.230 nan 0.000 0.424 548 T N -0.177 114.191 114.554 -0.310 0.000 2.817 548 T HA 0.062 4.412 4.350 0.000 0.000 0.295 548 T C 1.258 175.571 174.700 -0.645 0.000 0.958 548 T CA -0.197 61.669 62.100 -0.389 0.000 1.157 548 T CB 1.085 69.729 68.868 -0.373 0.000 0.898 548 T HN 0.805 nan 8.240 nan 0.000 0.536 549 G N 2.593 111.159 108.800 -0.391 0.000 2.708 549 G HA2 0.219 4.179 3.960 0.000 0.000 0.210 549 G HA3 0.219 4.179 3.960 0.000 0.000 0.210 549 G C 0.325 175.123 174.900 -0.170 0.000 1.141 549 G CA -0.136 44.772 45.100 -0.321 0.000 0.788 549 G HN 0.686 nan 8.290 nan 0.000 0.531 550 V N -0.519 119.136 119.914 -0.432 0.000 2.850 550 V HA 0.750 4.870 4.120 0.000 0.000 0.315 550 V C -0.616 175.156 176.094 -0.537 0.000 1.064 550 V CA -0.751 61.413 62.300 -0.228 0.000 0.979 550 V CB 1.342 33.181 31.823 0.027 0.000 1.039 550 V HN 0.269 nan 8.190 nan 0.000 0.452 551 Y N -0.491 119.905 120.300 0.161 0.000 2.677 551 Y HA 0.339 4.889 4.550 0.000 0.000 0.334 551 Y C -0.203 175.815 175.900 0.196 0.000 1.196 551 Y CA -1.015 57.179 58.100 0.155 0.000 1.059 551 Y CB 1.258 39.781 38.460 0.105 0.000 1.315 551 Y HN 0.440 nan 8.280 nan 0.000 0.455 552 Q N 1.013 120.905 119.800 0.154 0.000 2.289 552 Q HA 0.313 4.653 4.340 0.000 0.000 0.273 552 Q C 0.911 176.966 176.000 0.092 0.000 1.029 552 Q CA 0.466 56.257 55.803 -0.020 0.000 0.896 552 Q CB 1.420 29.972 28.738 -0.309 0.000 1.182 552 Q HN 0.922 nan 8.270 nan 0.000 0.385 553 A N 4.455 127.314 122.820 0.065 0.000 1.859 553 A HA -0.283 4.037 4.320 0.000 0.000 0.218 553 A C 1.361 178.901 177.584 -0.073 0.000 1.209 553 A CA 2.214 54.261 52.037 0.017 0.000 0.639 553 A CB -0.645 18.348 19.000 -0.011 0.000 0.835 553 A HN 0.982 nan 8.150 nan 0.000 0.450 554 D N 0.136 120.506 120.400 -0.051 0.000 2.401 554 D HA -0.166 4.474 4.640 0.000 0.000 0.217 554 D C -0.201 176.035 176.300 -0.106 0.000 0.978 554 D CA 1.220 55.176 54.000 -0.074 0.000 0.951 554 D CB -0.603 40.176 40.800 -0.036 0.000 0.879 554 D HN 0.425 nan 8.370 nan 0.000 0.497 555 D N 0.500 120.841 120.400 -0.099 0.000 2.587 555 D HA 0.086 4.726 4.640 0.000 0.000 0.233 555 D C 0.455 176.618 176.300 -0.229 0.000 1.213 555 D CA -0.164 53.773 54.000 -0.106 0.000 0.827 555 D CB -0.152 40.638 40.800 -0.016 0.000 1.006 555 D HN 0.606 nan 8.370 nan 0.000 0.490 556 N N 0.000 118.457 118.700 -0.405 0.000 1.763 556 N HA 0.000 4.740 4.740 0.000 0.000 0.220 556 N CA 0.000 52.618 53.050 -0.721 0.000 0.885 556 N CB 0.000 37.673 38.487 -1.356 0.000 1.341 556 N HN 0.000 nan 8.380 nan 0.000 0.667