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 2zm0_1_A DATA FIRST_RESID 5 DATA SEQUENCE STGQHPARYP GAAAGEPTLD SWQEPPHNRW AFAHLGEMVP SAAVSRRPXX DATA SEQUENCE XXGHALARLG AIAAQLPDLE QRLEQTYTDA FLVLRGTEVV AEYYRAGFAP DATA SEQUENCE DDRHLLMSVS KSLCGTVVGA LVDEGRIDPA QPVTEYVPEL AGSVYDGPSV DATA SEQUENCE LQVLDMQISI DYNEDYVDPA SEVQTHDRSA GWRTRRHGDP ADTYEFLTTL DATA SEQUENCE RGDGSTGEFQ YCSANTDVLA WIVERVTGLR YVEALSTYLW AKLDADRDAT DATA SEQUENCE ITVDTTGFGF ANGGVSCTAR DLARVGRMML DGGVAPGGRV VSEDWVRRVL DATA SEQUENCE AGGSHEAMTD KGFTNTFPDG SYTRQWWCTG NERGNVSGIG IHGQNLWLDP DATA SEQUENCE LTDSVIVKLS SWPDPYTEHW HRLQNGILLD VSRALDAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.647 174.600 0.078 0.000 1.055 5 S CA 0.000 58.224 58.200 0.041 0.000 1.107 5 S CB 0.000 63.206 63.200 0.011 0.000 0.593 6 T N -0.925 113.689 114.554 0.100 0.000 3.092 6 T HA 0.622 4.973 4.350 0.002 0.000 0.258 6 T C 1.324 176.063 174.700 0.066 0.000 1.031 6 T CA 0.647 62.877 62.100 0.217 0.000 0.925 6 T CB -0.580 68.432 68.868 0.241 0.000 1.036 6 T HN 2.416 nan 8.240 nan 0.000 0.544 7 G N 1.494 110.235 108.800 -0.099 0.000 2.693 7 G HA2 -0.225 3.736 3.960 0.002 0.000 0.226 7 G HA3 -0.225 3.736 3.960 0.002 0.000 0.226 7 G C -0.582 173.995 174.900 -0.538 0.000 1.354 7 G CA -0.389 44.578 45.100 -0.222 0.000 0.873 7 G HN 0.776 nan 8.290 nan 0.000 0.562 8 Q N 0.297 119.850 119.800 -0.412 0.000 2.332 8 Q HA 0.439 4.780 4.340 0.002 0.000 0.263 8 Q C -0.256 175.382 176.000 -0.603 0.000 0.979 8 Q CA -0.222 55.341 55.803 -0.401 0.000 0.885 8 Q CB 0.276 28.905 28.738 -0.181 0.000 1.218 8 Q HN 0.636 nan 8.270 nan 0.000 0.405 9 H N 2.813 121.793 119.070 -0.150 0.000 2.797 9 H HA 0.401 4.958 4.556 0.001 0.000 0.372 9 H C -2.266 173.020 175.328 -0.070 0.000 1.168 9 H CA -2.243 53.703 56.048 -0.169 0.000 1.163 9 H CB 1.142 30.714 29.762 -0.316 0.000 1.778 9 H HN 0.607 nan 8.280 nan 0.000 0.551 10 P HA 0.142 nan 4.420 nan 0.000 0.267 10 P C -0.405 176.893 177.300 -0.004 0.000 1.205 10 P CA -0.207 62.930 63.100 0.062 0.000 0.765 10 P CB 0.325 32.091 31.700 0.109 0.000 0.828 11 A N 3.353 126.126 122.820 -0.079 0.000 2.483 11 A HA 0.043 4.364 4.320 0.002 0.000 0.238 11 A C 1.678 179.101 177.584 -0.268 0.000 1.070 11 A CA -0.081 51.837 52.037 -0.199 0.000 0.770 11 A CB 0.077 18.924 19.000 -0.254 0.000 1.008 11 A HN 0.523 nan 8.150 nan 0.000 0.497 12 R N 0.166 120.411 120.500 -0.427 0.000 2.120 12 R HA -0.044 4.297 4.340 0.002 0.000 0.234 12 R C -0.063 175.839 176.300 -0.664 0.000 1.123 12 R CA 2.214 57.972 56.100 -0.569 0.000 0.975 12 R CB -0.349 29.501 30.300 -0.749 0.000 0.866 12 R HN 0.861 nan 8.270 nan 0.000 0.446 13 Y N -5.074 114.927 120.300 -0.498 0.000 2.625 13 Y HA 0.609 5.160 4.550 0.002 0.000 0.338 13 Y C -2.832 172.988 175.900 -0.133 0.000 1.123 13 Y CA -3.918 53.979 58.100 -0.338 0.000 1.046 13 Y CB 0.231 38.467 38.460 -0.374 0.000 1.299 13 Y HN -0.248 nan 8.280 nan 0.000 0.464 14 P HA 0.209 nan 4.420 nan 0.000 0.258 14 P C 0.748 178.118 177.300 0.116 0.000 1.187 14 P CA 2.332 65.492 63.100 0.101 0.000 0.767 14 P CB 0.311 32.090 31.700 0.131 0.000 0.770 15 G N 2.452 111.235 108.800 -0.029 0.000 2.175 15 G HA2 -0.160 3.801 3.960 0.002 0.000 0.244 15 G HA3 -0.160 3.801 3.960 0.002 0.000 0.244 15 G C 0.429 175.251 174.900 -0.130 0.000 0.982 15 G CA -0.125 44.964 45.100 -0.018 0.000 0.641 15 G HN 0.836 nan 8.290 nan 0.000 0.527 16 A N 0.400 122.926 122.820 -0.489 0.000 2.462 16 A HA 0.787 5.108 4.320 0.002 0.000 0.243 16 A C 1.134 178.546 177.584 -0.286 0.000 1.076 16 A CA 1.129 52.747 52.037 -0.698 0.000 0.773 16 A CB 0.324 18.452 19.000 -1.453 0.000 1.010 16 A HN 2.119 nan 8.150 nan 0.000 0.493 17 A N 1.765 124.513 122.820 -0.120 0.000 2.386 17 A HA 0.541 4.862 4.320 0.002 0.000 0.246 17 A C 0.994 178.524 177.584 -0.090 0.000 1.089 17 A CA 0.168 52.170 52.037 -0.058 0.000 0.790 17 A CB -0.284 18.731 19.000 0.025 0.000 1.042 17 A HN 2.310 nan 8.150 nan 0.000 0.497 18 A N 0.025 122.810 122.820 -0.058 0.000 2.546 18 A HA 0.465 4.786 4.320 0.002 0.000 0.243 18 A C 1.628 179.191 177.584 -0.035 0.000 1.063 18 A CA 0.835 52.846 52.037 -0.044 0.000 0.757 18 A CB -1.014 17.973 19.000 -0.022 0.000 0.991 18 A HN 2.763 nan 8.150 nan 0.000 0.503 19 G N 1.365 110.142 108.800 -0.038 0.000 2.184 19 G HA2 -0.186 3.775 3.960 0.002 0.000 0.264 19 G HA3 -0.186 3.775 3.960 0.002 0.000 0.264 19 G C 0.007 174.868 174.900 -0.066 0.000 0.975 19 G CA 0.522 45.603 45.100 -0.030 0.000 0.642 19 G HN 0.821 nan 8.290 nan 0.000 0.536 20 E N 0.992 121.121 120.200 -0.118 0.000 2.191 20 E HA 0.474 4.825 4.350 0.002 0.000 0.274 20 E C -2.277 174.197 176.600 -0.209 0.000 0.948 20 E CA -1.668 54.617 56.400 -0.192 0.000 0.802 20 E CB 2.528 32.131 29.700 -0.162 0.000 1.137 20 E HN 0.253 nan 8.360 nan 0.000 0.397 21 P HA 0.162 nan 4.420 nan 0.000 0.280 21 P C -0.248 177.045 177.300 -0.011 0.000 1.272 21 P CA -0.304 62.656 63.100 -0.234 0.000 0.819 21 P CB 0.902 32.600 31.700 -0.003 0.000 1.122 22 T N -2.344 112.230 114.554 0.034 0.000 2.919 22 T HA 0.240 4.591 4.350 0.002 0.000 0.282 22 T C 1.114 175.968 174.700 0.256 0.000 1.020 22 T CA -0.714 61.453 62.100 0.113 0.000 0.994 22 T CB 0.199 69.111 68.868 0.072 0.000 1.180 22 T HN 0.138 nan 8.240 nan 0.000 0.566 23 L N 0.325 121.694 121.223 0.243 0.000 2.261 23 L HA 0.025 4.366 4.340 0.002 0.000 0.216 23 L C 1.419 178.521 176.870 0.385 0.000 1.114 23 L CA 1.897 56.957 54.840 0.367 0.000 0.777 23 L CB -0.850 41.338 42.059 0.215 0.000 0.910 23 L HN 0.676 nan 8.230 nan 0.000 0.440 24 D N -2.047 118.473 120.400 0.201 0.000 2.349 24 D HA 0.071 4.712 4.640 0.002 0.000 0.214 24 D C 1.715 178.031 176.300 0.028 0.000 1.063 24 D CA 0.987 55.041 54.000 0.091 0.000 0.847 24 D CB 0.460 41.300 40.800 0.067 0.000 0.933 24 D HN 0.539 nan 8.370 nan 0.000 0.513 25 S N -0.515 115.231 115.700 0.077 0.000 2.632 25 S HA -0.005 4.466 4.470 0.002 0.000 0.237 25 S C 1.703 176.391 174.600 0.146 0.000 1.037 25 S CA -0.810 57.436 58.200 0.077 0.000 1.009 25 S CB -0.721 62.524 63.200 0.075 0.000 0.974 25 S HN 0.409 nan 8.310 nan 0.000 0.544 26 W N 1.939 123.328 121.300 0.148 0.000 2.465 26 W HA 0.061 4.722 4.660 0.001 0.000 0.268 26 W C 0.951 177.605 176.519 0.224 0.000 1.242 26 W CA 0.639 58.111 57.345 0.212 0.000 1.248 26 W CB -0.745 28.849 29.460 0.223 0.000 1.118 26 W HN 0.402 nan 8.180 nan 0.000 0.587 27 Q N 0.970 120.505 119.800 -0.441 0.000 2.432 27 Q HA 0.024 4.365 4.340 0.002 0.000 0.205 27 Q C 0.220 176.162 176.000 -0.096 0.000 0.945 27 Q CA 0.640 56.241 55.803 -0.338 0.000 0.924 27 Q CB 0.108 28.465 28.738 -0.635 0.000 1.016 27 Q HN 0.411 nan 8.270 nan 0.000 0.503 28 E N 1.964 122.152 120.200 -0.020 0.000 2.283 28 E HA 0.215 4.566 4.350 0.002 0.000 0.271 28 E C -2.404 174.161 176.600 -0.057 0.000 1.031 28 E CA -2.229 54.169 56.400 -0.005 0.000 0.868 28 E CB 0.743 30.475 29.700 0.053 0.000 1.094 28 E HN -0.028 nan 8.360 nan 0.000 0.401 29 P HA 0.103 nan 4.420 nan 0.000 0.277 29 P C -2.168 174.941 177.300 -0.319 0.000 1.240 29 P CA -1.438 61.548 63.100 -0.190 0.000 0.798 29 P CB 0.614 32.240 31.700 -0.124 0.000 0.979 30 P HA 0.002 nan 4.420 nan 0.000 0.255 30 P C 0.993 178.119 177.300 -0.291 0.000 1.248 30 P CA 0.721 63.668 63.100 -0.255 0.000 0.807 30 P CB -0.134 31.490 31.700 -0.125 0.000 1.150 31 H N 1.816 120.870 119.070 -0.027 0.000 2.387 31 H HA -0.097 4.460 4.556 0.002 0.000 0.299 31 H C 1.685 176.965 175.328 -0.080 0.000 1.090 31 H CA 1.719 57.767 56.048 -0.001 0.000 1.332 31 H CB -1.046 28.857 29.762 0.234 0.000 1.386 31 H HN 0.350 nan 8.280 nan 0.000 0.516 32 N N 1.945 120.575 118.700 -0.116 0.000 2.381 32 N HA -0.141 4.600 4.740 0.002 0.000 0.182 32 N C 1.678 176.763 175.510 -0.708 0.000 1.025 32 N CA 0.670 53.410 53.050 -0.517 0.000 0.888 32 N CB -0.490 37.467 38.487 -0.883 0.000 0.965 32 N HN 0.281 nan 8.380 nan 0.000 0.438 33 R N -0.854 119.413 120.500 -0.388 0.000 2.081 33 R HA -0.120 4.221 4.340 0.002 0.000 0.235 33 R C 1.825 178.087 176.300 -0.064 0.000 1.131 33 R CA 1.476 57.440 56.100 -0.226 0.000 0.960 33 R CB -0.554 29.654 30.300 -0.153 0.000 0.856 33 R HN 0.441 nan 8.270 nan 0.000 0.436 34 W N 1.397 122.557 121.300 -0.233 0.000 2.441 34 W HA -0.005 4.656 4.660 0.002 0.000 0.302 34 W C 2.243 178.870 176.519 0.181 0.000 1.191 34 W CA 1.324 58.648 57.345 -0.035 0.000 1.327 34 W CB -0.251 29.082 29.460 -0.211 0.000 1.128 34 W HN 0.047 nan 8.180 nan 0.000 0.522 35 A N -0.103 122.774 122.820 0.096 0.000 1.933 35 A HA -0.140 4.181 4.320 0.002 0.000 0.218 35 A C 1.796 179.408 177.584 0.046 0.000 1.175 35 A CA 1.401 53.413 52.037 -0.041 0.000 0.628 35 A CB -1.348 17.935 19.000 0.472 0.000 0.814 35 A HN 0.363 nan 8.150 nan 0.000 0.444 36 F N -0.253 119.682 119.950 -0.026 0.000 2.451 36 F HA 0.039 4.567 4.527 0.002 0.000 0.299 36 F C 2.390 178.076 175.800 -0.190 0.000 1.101 36 F CA 0.214 58.186 58.000 -0.046 0.000 1.436 36 F CB -0.830 38.185 39.000 0.024 0.000 1.074 36 F HN 0.301 nan 8.300 nan 0.000 0.553 37 A N -1.797 120.948 122.820 -0.124 0.000 2.348 37 A HA 0.132 4.453 4.320 0.002 0.000 0.224 37 A C 0.075 177.140 177.584 -0.865 0.000 1.227 37 A CA 0.185 51.975 52.037 -0.411 0.000 0.885 37 A CB -0.671 18.094 19.000 -0.393 0.000 0.933 37 A HN 0.426 nan 8.150 nan 0.000 0.506 38 H N -1.848 116.912 119.070 -0.516 0.000 3.064 38 H HA 0.206 4.763 4.556 0.002 0.000 0.232 38 H C 0.708 175.722 175.328 -0.523 0.000 1.308 38 H CA -0.415 55.275 56.048 -0.596 0.000 1.010 38 H CB 0.348 29.477 29.762 -1.054 0.000 2.408 38 H HN 0.206 nan 8.280 nan 0.000 0.599 39 L N 0.501 121.525 121.223 -0.331 0.000 2.201 39 L HA 0.086 4.427 4.340 0.002 0.000 0.212 39 L C 2.253 178.937 176.870 -0.309 0.000 1.105 39 L CA 1.815 56.423 54.840 -0.386 0.000 0.775 39 L CB -0.547 41.280 42.059 -0.387 0.000 0.913 39 L HN 0.528 nan 8.230 nan 0.000 0.440 40 G N -1.278 107.397 108.800 -0.209 0.000 2.470 40 G HA2 -0.221 3.740 3.960 0.002 0.000 0.220 40 G HA3 -0.221 3.740 3.960 0.002 0.000 0.220 40 G C 1.387 176.227 174.900 -0.099 0.000 1.121 40 G CA 0.558 45.571 45.100 -0.145 0.000 0.766 40 G HN 0.530 nan 8.290 nan 0.000 0.553 41 E N -0.559 119.598 120.200 -0.072 0.000 2.427 41 E HA 0.018 4.369 4.350 0.002 0.000 0.196 41 E C 1.939 178.554 176.600 0.025 0.000 1.028 41 E CA 0.413 56.834 56.400 0.037 0.000 0.864 41 E CB 0.038 29.857 29.700 0.197 0.000 0.813 41 E HN 0.382 nan 8.360 nan 0.000 0.514 42 M N -0.425 119.115 119.600 -0.101 0.000 2.740 42 M HA 0.152 4.633 4.480 0.002 0.000 0.253 42 M C 0.434 176.633 176.300 -0.168 0.000 1.341 42 M CA 0.512 55.727 55.300 -0.143 0.000 1.176 42 M CB 0.851 33.228 32.600 -0.371 0.000 1.310 42 M HN -0.259 nan 8.290 nan 0.000 0.531 43 V N 1.655 121.438 119.914 -0.218 0.000 2.638 43 V HA 0.405 4.526 4.120 0.002 0.000 0.306 43 V C -2.408 173.613 176.094 -0.122 0.000 1.052 43 V CA -1.762 60.444 62.300 -0.158 0.000 0.885 43 V CB 1.926 33.628 31.823 -0.202 0.000 0.999 43 V HN 0.068 nan 8.190 nan 0.000 0.424 44 P HA 0.223 nan 4.420 nan 0.000 0.264 44 P C -0.581 176.667 177.300 -0.087 0.000 1.183 44 P CA 0.513 63.564 63.100 -0.083 0.000 0.763 44 P CB 0.403 32.061 31.700 -0.071 0.000 0.807 45 S N 0.896 116.542 115.700 -0.090 0.000 2.546 45 S HA 0.764 5.235 4.470 0.002 0.000 0.274 45 S C -0.963 173.587 174.600 -0.083 0.000 1.121 45 S CA -0.582 57.564 58.200 -0.090 0.000 0.887 45 S CB 2.068 65.204 63.200 -0.106 0.000 1.094 45 S HN 0.507 nan 8.310 nan 0.000 0.474 46 A N 1.285 124.059 122.820 -0.076 0.000 2.340 46 A HA 0.899 5.220 4.320 0.002 0.000 0.331 46 A C -0.082 177.459 177.584 -0.072 0.000 1.140 46 A CA -0.699 51.294 52.037 -0.072 0.000 0.801 46 A CB 0.906 19.868 19.000 -0.064 0.000 1.234 46 A HN 1.126 nan 8.150 nan 0.000 0.469 47 A N 0.868 123.645 122.820 -0.072 0.000 2.401 47 A HA 0.539 4.860 4.320 0.002 0.000 0.259 47 A C -0.262 177.284 177.584 -0.064 0.000 1.103 47 A CA -0.186 51.809 52.037 -0.070 0.000 0.789 47 A CB 0.051 19.007 19.000 -0.074 0.000 1.035 47 A HN 1.129 nan 8.150 nan 0.000 0.491 48 V N 3.183 123.060 119.914 -0.061 0.000 2.311 48 V HA 0.266 4.387 4.120 0.002 0.000 0.275 48 V C 0.768 176.830 176.094 -0.053 0.000 1.022 48 V CA -0.343 61.925 62.300 -0.054 0.000 0.830 48 V CB 0.961 32.753 31.823 -0.051 0.000 1.012 48 V HN 0.946 nan 8.190 nan 0.000 0.452 49 S N 4.538 120.207 115.700 -0.053 0.000 2.549 49 S HA 0.166 4.637 4.470 0.002 0.000 0.279 49 S C 1.431 176.003 174.600 -0.047 0.000 1.321 49 S CA -0.408 57.760 58.200 -0.054 0.000 1.054 49 S CB 0.392 63.558 63.200 -0.057 0.000 0.899 49 S HN 0.851 nan 8.310 nan 0.000 0.497 50 R N 3.780 124.251 120.500 -0.047 0.000 2.275 50 R HA 0.165 4.506 4.340 0.002 0.000 0.199 50 R C 0.133 176.410 176.300 -0.039 0.000 0.989 50 R CA 0.303 56.379 56.100 -0.041 0.000 1.016 50 R CB -0.010 30.266 30.300 -0.039 0.000 0.918 50 R HN 0.432 nan 8.270 nan 0.000 0.473 51 R N 1.880 122.353 120.500 -0.044 0.000 2.407 51 R HA 0.379 4.720 4.340 0.002 0.000 0.303 51 R C -2.181 174.096 176.300 -0.039 0.000 0.981 51 R CA -2.113 53.962 56.100 -0.042 0.000 0.905 51 R CB 0.868 31.139 30.300 -0.049 0.000 1.099 51 R HN 0.044 nan 8.270 nan 0.000 0.459 58 H N 0.740 119.819 119.070 0.015 0.000 2.717 58 H HA 0.729 5.286 4.556 0.002 0.000 0.366 58 H C -0.113 175.224 175.328 0.015 0.000 1.132 58 H CA 0.167 56.227 56.048 0.019 0.000 1.180 58 H CB 1.993 31.765 29.762 0.018 0.000 1.678 58 H HN 0.245 nan 8.280 nan 0.000 0.537 59 A N 3.604 126.441 122.820 0.028 0.000 2.462 59 A HA 0.255 4.576 4.320 0.002 0.000 0.243 59 A C -0.487 177.205 177.584 0.179 0.000 1.076 59 A CA -0.298 51.764 52.037 0.042 0.000 0.773 59 A CB -0.039 18.956 19.000 -0.007 0.000 1.010 59 A HN 0.446 nan 8.150 nan 0.000 0.493 60 L N 2.665 123.903 121.223 0.025 0.000 2.280 60 L HA 0.652 4.993 4.340 0.002 0.000 0.287 60 L C 0.162 177.073 176.870 0.069 0.000 1.023 60 L CA 0.044 54.944 54.840 0.100 0.000 0.819 60 L CB 0.973 43.139 42.059 0.177 0.000 1.212 60 L HN 0.746 nan 8.230 nan 0.000 0.420 61 A N 6.072 128.995 122.820 0.172 0.000 2.323 61 A HA 0.726 5.047 4.320 0.002 0.000 0.305 61 A C -0.193 177.496 177.584 0.176 0.000 1.275 61 A CA -0.628 51.561 52.037 0.254 0.000 0.804 61 A CB 0.366 19.544 19.000 0.296 0.000 1.152 61 A HN 0.741 nan 8.150 nan 0.000 0.487 62 R N 3.489 124.093 120.500 0.174 0.000 2.651 62 R HA 0.273 4.614 4.340 0.002 0.000 0.282 62 R C -0.253 176.128 176.300 0.134 0.000 1.565 62 R CA -0.225 55.956 56.100 0.135 0.000 1.661 62 R CB 0.498 30.877 30.300 0.131 0.000 1.189 62 R HN 0.729 nan 8.270 nan 0.000 0.621 63 L N 0.517 121.814 121.223 0.123 0.000 2.599 63 L HA 0.123 4.464 4.340 0.002 0.000 0.230 63 L C 1.410 178.336 176.870 0.093 0.000 1.141 63 L CA 0.489 55.402 54.840 0.122 0.000 0.877 63 L CB -0.461 41.646 42.059 0.080 0.000 1.009 63 L HN 0.785 nan 8.230 nan 0.000 0.447 64 G N 0.906 109.752 108.800 0.077 0.000 2.611 64 G HA2 -0.444 3.517 3.960 0.002 0.000 0.301 64 G HA3 -0.444 3.517 3.960 0.002 0.000 0.301 64 G C 0.941 175.871 174.900 0.050 0.000 1.233 64 G CA 0.506 45.643 45.100 0.062 0.000 0.993 64 G HN 0.319 nan 8.290 nan 0.000 0.553 65 A N -0.235 122.613 122.820 0.046 0.000 1.929 65 A HA 0.255 4.576 4.320 0.002 0.000 0.216 65 A C 2.584 180.190 177.584 0.037 0.000 1.176 65 A CA 2.574 54.633 52.037 0.037 0.000 0.628 65 A CB -0.569 18.452 19.000 0.034 0.000 0.816 65 A HN 1.625 nan 8.150 nan 0.000 0.444 66 I N -2.936 117.662 120.570 0.047 0.000 2.916 66 I HA 0.003 4.174 4.170 0.002 0.000 0.267 66 I C 2.126 178.261 176.117 0.029 0.000 1.263 66 I CA 1.017 62.344 61.300 0.044 0.000 1.471 66 I CB -0.423 37.617 38.000 0.067 0.000 1.089 66 I HN 0.159 nan 8.210 nan 0.000 0.468 67 A N 1.797 124.635 122.820 0.029 0.000 1.978 67 A HA -0.040 4.281 4.320 0.002 0.000 0.220 67 A C 2.579 180.166 177.584 0.005 0.000 1.170 67 A CA 1.835 53.880 52.037 0.013 0.000 0.636 67 A CB -0.812 18.201 19.000 0.021 0.000 0.810 67 A HN 0.610 nan 8.150 nan 0.000 0.448 68 A N -0.971 121.856 122.820 0.011 0.000 1.969 68 A HA -0.137 4.184 4.320 0.002 0.000 0.218 68 A C 2.060 179.646 177.584 0.003 0.000 1.169 68 A CA 1.552 53.593 52.037 0.007 0.000 0.635 68 A CB -0.364 18.643 19.000 0.011 0.000 0.810 68 A HN 0.645 nan 8.150 nan 0.000 0.445 69 Q N -1.090 118.713 119.800 0.006 0.000 2.354 69 Q HA 0.263 4.604 4.340 0.002 0.000 0.203 69 Q C -0.310 175.686 176.000 -0.006 0.000 0.933 69 Q CA 0.407 56.212 55.803 0.004 0.000 0.901 69 Q CB 0.213 28.958 28.738 0.012 0.000 1.007 69 Q HN 0.554 nan 8.270 nan 0.000 0.495 70 L N 1.883 123.099 121.223 -0.013 0.000 2.495 70 L HA 0.277 4.618 4.340 0.002 0.000 0.248 70 L C -1.877 174.968 176.870 -0.042 0.000 1.229 70 L CA -1.354 53.466 54.840 -0.033 0.000 0.942 70 L CB 1.067 43.100 42.059 -0.043 0.000 1.242 70 L HN -0.064 nan 8.230 nan 0.000 0.484 71 P HA -0.148 nan 4.420 nan 0.000 0.219 71 P C 0.307 177.576 177.300 -0.051 0.000 1.146 71 P CA 1.211 64.290 63.100 -0.034 0.000 0.808 71 P CB 0.432 32.116 31.700 -0.025 0.000 0.779 72 D N -1.137 119.223 120.400 -0.067 0.000 2.424 72 D HA 0.063 4.704 4.640 0.002 0.000 0.220 72 D C 1.627 177.850 176.300 -0.128 0.000 1.150 72 D CA -0.303 53.647 54.000 -0.084 0.000 0.831 72 D CB 0.012 40.767 40.800 -0.074 0.000 0.981 72 D HN 0.028 nan 8.370 nan 0.000 0.500 73 L N 1.457 122.593 121.223 -0.145 0.000 2.012 73 L HA -0.149 4.192 4.340 0.002 0.000 0.210 73 L C 2.142 178.818 176.870 -0.324 0.000 1.073 73 L CA 1.943 56.647 54.840 -0.226 0.000 0.748 73 L CB -0.357 41.573 42.059 -0.215 0.000 0.891 73 L HN -0.025 nan 8.230 nan 0.000 0.431 74 E N -1.116 118.911 120.200 -0.287 0.000 2.085 74 E HA -0.325 4.026 4.350 0.002 0.000 0.194 74 E C 2.222 178.617 176.600 -0.341 0.000 0.994 74 E CA 1.538 57.706 56.400 -0.387 0.000 0.801 74 E CB -0.222 29.356 29.700 -0.203 0.000 0.743 74 E HN 0.699 nan 8.360 nan 0.000 0.453 75 Q N 0.208 119.881 119.800 -0.212 0.000 2.084 75 Q HA -0.195 4.146 4.340 0.002 0.000 0.202 75 Q C 2.167 178.058 176.000 -0.183 0.000 0.978 75 Q CA 1.486 57.190 55.803 -0.165 0.000 0.844 75 Q CB 0.055 28.727 28.738 -0.110 0.000 0.898 75 Q HN 0.206 nan 8.270 nan 0.000 0.426 76 R N -0.161 120.218 120.500 -0.202 0.000 2.092 76 R HA -0.068 4.273 4.340 0.002 0.000 0.231 76 R C 2.378 178.541 176.300 -0.229 0.000 1.119 76 R CA 1.154 57.142 56.100 -0.186 0.000 0.970 76 R CB -0.184 30.005 30.300 -0.186 0.000 0.864 76 R HN 0.310 nan 8.270 nan 0.000 0.440 77 L N 0.573 121.576 121.223 -0.366 0.000 2.056 77 L HA -0.153 4.188 4.340 0.002 0.000 0.207 77 L C 2.171 178.859 176.870 -0.304 0.000 1.078 77 L CA 1.411 55.991 54.840 -0.434 0.000 0.749 77 L CB -0.419 41.152 42.059 -0.812 0.000 0.901 77 L HN 0.225 nan 8.230 nan 0.000 0.433 78 E N 0.004 120.021 120.200 -0.304 0.000 2.058 78 E HA -0.278 4.073 4.350 0.002 0.000 0.194 78 E C 2.208 178.671 176.600 -0.229 0.000 0.997 78 E CA 1.249 57.520 56.400 -0.215 0.000 0.801 78 E CB -0.126 29.472 29.700 -0.171 0.000 0.746 78 E HN 0.546 nan 8.360 nan 0.000 0.450 79 Q N -0.153 119.557 119.800 -0.150 0.000 2.226 79 Q HA -0.094 4.247 4.340 0.002 0.000 0.204 79 Q C 1.537 177.596 176.000 0.098 0.000 0.975 79 Q CA 1.562 57.337 55.803 -0.047 0.000 0.866 79 Q CB 0.030 28.769 28.738 0.001 0.000 0.915 79 Q HN 0.298 nan 8.270 nan 0.000 0.440 80 T N -4.052 110.534 114.554 0.054 0.000 3.251 80 T HA 0.134 4.485 4.350 0.002 0.000 0.259 80 T C -0.401 174.460 174.700 0.267 0.000 0.998 80 T CA -0.553 61.645 62.100 0.162 0.000 0.905 80 T CB -0.339 68.623 68.868 0.156 0.000 1.067 80 T HN 0.250 nan 8.240 nan 0.000 0.569 81 Y N 0.557 120.849 120.300 -0.013 0.000 3.234 81 Y HA -0.234 4.318 4.550 0.002 0.000 0.207 81 Y C 0.525 176.429 175.900 0.006 0.000 1.316 81 Y CA 0.292 58.393 58.100 0.001 0.000 1.309 81 Y CB -2.713 35.735 38.460 -0.020 0.000 1.408 81 Y HN 0.320 nan 8.280 nan 0.000 0.544 82 T N 0.673 115.266 114.554 0.064 0.000 2.814 82 T HA 0.057 4.408 4.350 0.002 0.000 0.297 82 T C 0.949 175.695 174.700 0.078 0.000 0.956 82 T CA -0.132 61.996 62.100 0.047 0.000 1.123 82 T CB 0.835 69.697 68.868 -0.010 0.000 0.902 82 T HN 0.274 nan 8.240 nan 0.000 0.528 83 D N 1.627 121.984 120.400 -0.072 0.000 2.338 83 D HA 0.273 4.914 4.640 0.002 0.000 0.224 83 D C 0.685 176.745 176.300 -0.401 0.000 0.967 83 D CA 0.365 54.216 54.000 -0.248 0.000 0.896 83 D CB 0.414 41.012 40.800 -0.336 0.000 1.028 83 D HN 0.615 nan 8.370 nan 0.000 0.493 84 A N 0.114 122.726 122.820 -0.347 0.000 2.455 84 A HA 0.586 4.907 4.320 0.002 0.000 0.300 84 A C -1.844 175.717 177.584 -0.038 0.000 1.040 84 A CA -0.574 51.349 52.037 -0.190 0.000 0.697 84 A CB 1.605 20.554 19.000 -0.085 0.000 1.265 84 A HN 0.052 nan 8.150 nan 0.000 0.407 85 F N 2.031 121.825 119.950 -0.260 0.000 2.574 85 F HA 0.754 5.282 4.527 0.002 0.000 0.313 85 F C -1.642 174.057 175.800 -0.168 0.000 1.130 85 F CA -0.747 57.164 58.000 -0.148 0.000 0.936 85 F CB 1.603 40.560 39.000 -0.072 0.000 1.219 85 F HN 0.687 nan 8.300 nan 0.000 0.445 86 L N 6.849 127.660 121.223 -0.687 0.000 2.493 86 L HA 0.766 5.107 4.340 0.002 0.000 0.265 86 L C -1.891 174.655 176.870 -0.541 0.000 0.954 86 L CA -0.667 53.892 54.840 -0.469 0.000 0.844 86 L CB 2.146 44.125 42.059 -0.133 0.000 1.302 86 L HN 0.472 nan 8.230 nan 0.000 0.405 87 V N 5.217 124.904 119.914 -0.379 0.000 2.384 87 V HA 0.432 4.553 4.120 0.002 0.000 0.287 87 V C -0.511 175.534 176.094 -0.081 0.000 1.020 87 V CA -0.471 61.692 62.300 -0.228 0.000 0.850 87 V CB 1.585 33.312 31.823 -0.160 0.000 0.987 87 V HN 0.554 nan 8.190 nan 0.000 0.436 88 L N 6.121 127.319 121.223 -0.040 0.000 2.276 88 L HA 0.570 4.911 4.340 0.002 0.000 0.286 88 L C 0.052 176.929 176.870 0.012 0.000 1.024 88 L CA -0.092 54.746 54.840 -0.003 0.000 0.826 88 L CB 0.973 43.037 42.059 0.008 0.000 1.211 88 L HN 0.679 nan 8.230 nan 0.000 0.422 89 R N 4.736 125.246 120.500 0.016 0.000 2.215 89 R HA 0.591 4.932 4.340 0.002 0.000 0.336 89 R C 0.701 177.012 176.300 0.018 0.000 0.996 89 R CA 0.519 56.632 56.100 0.022 0.000 0.847 89 R CB 0.577 30.892 30.300 0.025 0.000 1.127 89 R HN 0.930 nan 8.270 nan 0.000 0.465 90 G N 2.712 111.522 108.800 0.016 0.000 2.602 90 G HA2 -0.456 3.505 3.960 0.002 0.000 0.310 90 G HA3 -0.456 3.505 3.960 0.002 0.000 0.310 90 G C 0.593 175.498 174.900 0.009 0.000 1.183 90 G CA 0.795 45.902 45.100 0.011 0.000 0.979 90 G HN 0.705 nan 8.290 nan 0.000 0.545 91 T N -1.103 113.456 114.554 0.008 0.000 3.092 91 T HA 0.499 4.850 4.350 0.002 0.000 0.258 91 T C 0.536 175.242 174.700 0.010 0.000 1.031 91 T CA 1.212 63.316 62.100 0.006 0.000 0.925 91 T CB 0.619 69.489 68.868 0.003 0.000 1.036 91 T HN 0.763 nan 8.240 nan 0.000 0.544 92 E N 1.452 121.660 120.200 0.013 0.000 2.166 92 E HA 0.447 4.798 4.350 0.002 0.000 0.275 92 E C -1.042 175.569 176.600 0.019 0.000 0.941 92 E CA -0.795 55.615 56.400 0.017 0.000 0.784 92 E CB 1.847 31.558 29.700 0.018 0.000 1.115 92 E HN 0.054 nan 8.360 nan 0.000 0.399 93 V N 5.963 125.891 119.914 0.024 0.000 2.415 93 V HA -0.000 4.121 4.120 0.002 0.000 0.267 93 V C 1.144 177.257 176.094 0.032 0.000 1.042 93 V CA 0.090 62.406 62.300 0.027 0.000 1.000 93 V CB 0.646 32.495 31.823 0.045 0.000 1.015 93 V HN 0.688 nan 8.190 nan 0.000 0.478 94 V N 1.977 121.905 119.914 0.024 0.000 3.661 94 V HA 0.762 4.883 4.120 0.002 0.000 0.271 94 V C 0.605 176.729 176.094 0.050 0.000 1.315 94 V CA 0.603 62.925 62.300 0.035 0.000 1.072 94 V CB 0.091 31.933 31.823 0.032 0.000 0.830 94 V HN 0.883 nan 8.190 nan 0.000 0.443 95 A N -0.113 122.733 122.820 0.044 0.000 2.555 95 A HA 0.796 5.117 4.320 0.002 0.000 0.297 95 A C -1.000 176.624 177.584 0.066 0.000 1.060 95 A CA -0.513 51.577 52.037 0.088 0.000 0.710 95 A CB 1.495 20.582 19.000 0.146 0.000 1.282 95 A HN 0.400 nan 8.150 nan 0.000 0.399 96 E N 0.031 120.308 120.200 0.129 0.000 2.356 96 E HA 0.552 4.903 4.350 0.002 0.000 0.275 96 E C -2.065 174.605 176.600 0.116 0.000 0.904 96 E CA -0.585 55.852 56.400 0.063 0.000 0.757 96 E CB 2.800 32.572 29.700 0.121 0.000 1.232 96 E HN 0.670 nan 8.360 nan 0.000 0.442 97 Y N 1.682 121.829 120.300 -0.254 0.000 2.441 97 Y HA 0.459 5.009 4.550 0.002 0.000 0.334 97 Y C -2.178 173.369 175.900 -0.588 0.000 1.061 97 Y CA -0.631 57.329 58.100 -0.233 0.000 1.032 97 Y CB 1.271 39.687 38.460 -0.073 0.000 1.266 97 Y HN 0.510 nan 8.280 nan 0.000 0.441 98 Y N 4.623 124.541 120.300 -0.637 0.000 2.406 98 Y HA 0.510 5.061 4.550 0.002 0.000 0.340 98 Y C -0.285 175.201 175.900 -0.689 0.000 0.975 98 Y CA -1.309 56.535 58.100 -0.427 0.000 1.056 98 Y CB 1.576 40.037 38.460 0.002 0.000 1.210 98 Y HN 0.687 nan 8.280 nan 0.000 0.448 99 R N 1.490 121.825 120.500 -0.275 0.000 2.774 99 R HA 0.686 5.027 4.340 0.002 0.000 0.269 99 R C -0.074 176.235 176.300 0.015 0.000 1.068 99 R CA -0.434 55.593 56.100 -0.122 0.000 1.180 99 R CB 0.418 30.750 30.300 0.053 0.000 1.077 99 R HN 0.716 nan 8.270 nan 0.000 0.513 100 A N 1.003 123.827 122.820 0.007 0.000 2.567 100 A HA 0.362 4.683 4.320 0.002 0.000 0.240 100 A C 1.434 179.064 177.584 0.076 0.000 1.053 100 A CA 0.553 52.608 52.037 0.029 0.000 0.755 100 A CB -0.820 18.165 19.000 -0.026 0.000 0.978 100 A HN 1.327 nan 8.150 nan 0.000 0.507 101 G N 0.678 109.527 108.800 0.081 0.000 2.175 101 G HA2 -0.221 3.740 3.960 0.002 0.000 0.244 101 G HA3 -0.221 3.740 3.960 0.002 0.000 0.244 101 G C -0.025 174.950 174.900 0.125 0.000 0.982 101 G CA 0.442 45.589 45.100 0.078 0.000 0.641 101 G HN 1.463 nan 8.290 nan 0.000 0.527 102 F N 2.106 122.064 119.950 0.013 0.000 2.460 102 F HA 0.733 5.261 4.527 0.002 0.000 0.341 102 F C 0.367 176.155 175.800 -0.021 0.000 1.130 102 F CA -0.296 57.720 58.000 0.027 0.000 0.962 102 F CB 1.216 40.273 39.000 0.096 0.000 1.171 102 F HN 0.397 nan 8.300 nan 0.000 0.436 103 A N 7.189 129.776 122.820 -0.388 0.000 2.322 103 A HA 0.467 4.788 4.320 0.002 0.000 0.269 103 A C -1.922 175.356 177.584 -0.509 0.000 1.094 103 A CA -1.388 50.443 52.037 -0.344 0.000 0.807 103 A CB 0.229 19.045 19.000 -0.307 0.000 1.047 103 A HN 0.655 nan 8.150 nan 0.000 0.487 104 P HA -0.157 nan 4.420 nan 0.000 0.217 104 P C 0.379 177.433 177.300 -0.410 0.000 1.148 104 P CA 1.778 64.263 63.100 -1.024 0.000 0.828 104 P CB 0.086 31.355 31.700 -0.718 0.000 0.783 105 D N -2.764 117.463 120.400 -0.288 0.000 2.368 105 D HA 0.031 4.672 4.640 0.002 0.000 0.218 105 D C -0.084 176.107 176.300 -0.183 0.000 1.112 105 D CA -0.137 53.771 54.000 -0.153 0.000 0.834 105 D CB -0.701 40.033 40.800 -0.110 0.000 0.953 105 D HN 0.013 nan 8.370 nan 0.000 0.505 106 D N 1.162 121.336 120.400 -0.378 0.000 2.362 106 D HA 0.192 4.833 4.640 0.002 0.000 0.242 106 D C 0.529 176.721 176.300 -0.179 0.000 1.132 106 D CA 0.046 53.748 54.000 -0.496 0.000 0.907 106 D CB 1.111 41.181 40.800 -1.215 0.000 1.195 106 D HN 0.052 nan 8.370 nan 0.000 0.429 107 R N 0.905 121.376 120.500 -0.047 0.000 2.536 107 R HA 0.387 4.728 4.340 0.002 0.000 0.279 107 R C 0.018 176.507 176.300 0.314 0.000 1.001 107 R CA -0.638 55.552 56.100 0.149 0.000 1.027 107 R CB 1.401 31.736 30.300 0.059 0.000 1.096 107 R HN 0.477 nan 8.270 nan 0.000 0.502 108 H N 1.898 121.118 119.070 0.249 0.000 2.771 108 H HA 0.183 4.740 4.556 0.002 0.000 0.361 108 H C -1.137 174.251 175.328 0.100 0.000 1.108 108 H CA -0.946 55.235 56.048 0.221 0.000 1.201 108 H CB 1.648 31.535 29.762 0.209 0.000 1.681 108 H HN 0.309 nan 8.280 nan 0.000 0.534 109 L N 4.818 126.049 121.223 0.013 0.000 2.525 109 L HA -0.021 4.320 4.340 0.002 0.000 0.278 109 L C 0.368 177.393 176.870 0.258 0.000 1.218 109 L CA 0.553 55.441 54.840 0.082 0.000 0.878 109 L CB 0.137 42.154 42.059 -0.070 0.000 1.127 109 L HN 0.718 nan 8.230 nan 0.000 0.492 110 L N 4.811 126.149 121.223 0.192 0.000 2.529 110 L HA 0.034 4.375 4.340 0.002 0.000 0.223 110 L C 1.259 178.226 176.870 0.162 0.000 1.113 110 L CA -0.285 54.657 54.840 0.169 0.000 0.861 110 L CB -0.171 41.965 42.059 0.128 0.000 1.012 110 L HN 0.745 nan 8.230 nan 0.000 0.461 111 M N -0.622 119.104 119.600 0.209 0.000 7.319 111 M HA -0.376 4.105 4.480 0.002 0.000 0.191 111 M C 1.537 177.937 176.300 0.166 0.000 0.480 111 M CA 1.743 57.188 55.300 0.242 0.000 1.311 111 M CB -1.668 31.067 32.600 0.226 0.000 0.421 111 M HN 0.070 nan 8.290 nan 0.000 0.563 112 S N 0.235 116.038 115.700 0.172 0.000 2.603 112 S HA 0.089 4.560 4.470 0.002 0.000 0.229 112 S C 1.651 176.338 174.600 0.144 0.000 0.972 112 S CA 0.766 59.068 58.200 0.170 0.000 0.935 112 S CB -0.266 63.131 63.200 0.328 0.000 0.769 112 S HN 0.423 nan 8.310 nan 0.000 0.536 113 V N 1.634 121.615 119.914 0.112 0.000 2.568 113 V HA -0.169 3.952 4.120 0.002 0.000 0.253 113 V C 2.211 178.309 176.094 0.006 0.000 1.072 113 V CA 1.587 63.917 62.300 0.051 0.000 1.084 113 V CB -0.851 31.013 31.823 0.068 0.000 0.676 113 V HN 0.465 nan 8.190 nan 0.000 0.469 114 S N -0.290 115.434 115.700 0.040 0.000 2.402 114 S HA -0.266 4.205 4.470 0.002 0.000 0.233 114 S C 1.945 176.537 174.600 -0.014 0.000 1.030 114 S CA 1.556 59.770 58.200 0.024 0.000 1.003 114 S CB -0.283 62.932 63.200 0.025 0.000 0.813 114 S HN 0.652 nan 8.310 nan 0.000 0.477 115 K N 1.118 121.500 120.400 -0.030 0.000 2.097 115 K HA -0.007 4.314 4.320 0.002 0.000 0.206 115 K C 2.351 178.882 176.600 -0.116 0.000 1.049 115 K CA 1.455 57.715 56.287 -0.045 0.000 0.933 115 K CB -0.253 32.266 32.500 0.032 0.000 0.717 115 K HN 0.203 nan 8.250 nan 0.000 0.442 116 S N 1.146 116.682 115.700 -0.274 0.000 2.402 116 S HA -0.068 4.403 4.470 0.002 0.000 0.229 116 S C 1.783 176.231 174.600 -0.255 0.000 1.021 116 S CA 0.864 58.689 58.200 -0.625 0.000 0.974 116 S CB -0.103 62.308 63.200 -1.315 0.000 0.800 116 S HN 0.074 nan 8.310 nan 0.000 0.484 117 L N 0.857 122.036 121.223 -0.074 0.000 2.056 117 L HA -0.029 4.312 4.340 0.002 0.000 0.207 117 L C 2.610 179.564 176.870 0.140 0.000 1.078 117 L CA 1.106 56.001 54.840 0.092 0.000 0.749 117 L CB -1.217 40.921 42.059 0.132 0.000 0.901 117 L HN 0.444 nan 8.230 nan 0.000 0.433 118 C N -0.162 119.215 119.300 0.129 0.000 2.432 118 C HA -0.094 4.367 4.460 0.002 0.000 0.277 118 C C 2.944 178.015 174.990 0.135 0.000 1.249 118 C CA 0.930 60.056 59.018 0.180 0.000 1.725 118 C CB -1.346 26.421 27.740 0.045 0.000 2.028 118 C HN 0.643 nan 8.230 nan 0.000 0.477 119 G N -0.517 108.354 108.800 0.118 0.000 2.450 119 G HA2 -0.176 3.785 3.960 0.002 0.000 0.220 119 G HA3 -0.176 3.785 3.960 0.002 0.000 0.220 119 G C 1.744 176.810 174.900 0.276 0.000 1.130 119 G CA 1.633 46.872 45.100 0.231 0.000 0.760 119 G HN 0.571 nan 8.290 nan 0.000 0.557 120 T N 0.734 115.428 114.554 0.233 0.000 2.777 120 T HA -0.085 4.266 4.350 0.002 0.000 0.266 120 T C 2.565 177.234 174.700 -0.051 0.000 1.040 120 T CA 1.119 63.307 62.100 0.147 0.000 1.141 120 T CB -0.187 68.820 68.868 0.233 0.000 0.868 120 T HN 0.085 nan 8.240 nan 0.000 0.444 121 V N 1.365 121.294 119.914 0.025 0.000 2.343 121 V HA -0.147 3.974 4.120 0.002 0.000 0.247 121 V C 2.667 178.646 176.094 -0.191 0.000 1.051 121 V CA 1.261 63.543 62.300 -0.032 0.000 1.036 121 V CB -0.751 31.124 31.823 0.086 0.000 0.654 121 V HN 0.314 nan 8.190 nan 0.000 0.451 122 V N 1.054 120.885 119.914 -0.138 0.000 2.295 122 V HA -0.207 3.914 4.120 0.002 0.000 0.246 122 V C 2.674 178.492 176.094 -0.461 0.000 1.049 122 V CA 2.245 64.421 62.300 -0.207 0.000 1.024 122 V CB -1.488 30.312 31.823 -0.038 0.000 0.648 122 V HN 0.612 nan 8.190 nan 0.000 0.447 123 G N -0.435 107.847 108.800 -0.863 0.000 2.442 123 G HA2 -0.229 3.732 3.960 0.002 0.000 0.219 123 G HA3 -0.229 3.732 3.960 0.002 0.000 0.219 123 G C 1.757 176.144 174.900 -0.856 0.000 1.141 123 G CA 1.098 45.145 45.100 -1.755 0.000 0.763 123 G HN 0.622 nan 8.290 nan 0.000 0.554 124 A N 0.510 123.016 122.820 -0.522 0.000 1.902 124 A HA 0.099 4.420 4.320 0.002 0.000 0.217 124 A C 2.405 179.837 177.584 -0.253 0.000 1.181 124 A CA 1.275 53.149 52.037 -0.271 0.000 0.623 124 A CB -0.359 18.588 19.000 -0.089 0.000 0.818 124 A HN 0.364 nan 8.150 nan 0.000 0.443 125 L N -0.633 120.374 121.223 -0.360 0.000 2.217 125 L HA -0.092 4.249 4.340 0.002 0.000 0.211 125 L C 2.391 179.143 176.870 -0.197 0.000 1.107 125 L CA 0.464 55.122 54.840 -0.303 0.000 0.783 125 L CB -0.332 41.501 42.059 -0.376 0.000 0.919 125 L HN 0.226 nan 8.230 nan 0.000 0.442 126 V N -0.136 119.647 119.914 -0.220 0.000 2.358 126 V HA -0.298 3.823 4.120 0.002 0.000 0.246 126 V C 2.200 178.255 176.094 -0.065 0.000 1.047 126 V CA 2.056 64.291 62.300 -0.110 0.000 1.035 126 V CB -0.435 31.348 31.823 -0.066 0.000 0.658 126 V HN 0.458 nan 8.190 nan 0.000 0.452 127 D N 0.286 120.621 120.400 -0.108 0.000 2.144 127 D HA -0.187 4.454 4.640 0.002 0.000 0.199 127 D C 2.095 178.384 176.300 -0.018 0.000 0.984 127 D CA 1.324 55.296 54.000 -0.047 0.000 0.834 127 D CB -0.062 40.697 40.800 -0.068 0.000 0.955 127 D HN 0.552 nan 8.370 nan 0.000 0.465 128 E N -1.175 119.009 120.200 -0.028 0.000 2.481 128 E HA 0.158 4.509 4.350 0.002 0.000 0.195 128 E C 1.229 177.832 176.600 0.005 0.000 1.047 128 E CA 0.459 56.861 56.400 0.003 0.000 0.867 128 E CB 0.207 29.921 29.700 0.023 0.000 0.858 128 E HN 0.382 nan 8.360 nan 0.000 0.513 129 G N 1.904 110.701 108.800 -0.004 0.000 2.136 129 G HA2 -0.328 3.633 3.960 0.002 0.000 0.242 129 G HA3 -0.328 3.633 3.960 0.002 0.000 0.242 129 G C 0.819 175.730 174.900 0.018 0.000 0.989 129 G CA 0.381 45.490 45.100 0.014 0.000 0.682 129 G HN 0.240 nan 8.290 nan 0.000 0.522 130 R N -0.847 119.646 120.500 -0.011 0.000 2.254 130 R HA 0.395 4.736 4.340 0.002 0.000 0.195 130 R C 0.864 177.141 176.300 -0.038 0.000 0.957 130 R CA 0.518 56.612 56.100 -0.009 0.000 1.024 130 R CB 0.582 30.859 30.300 -0.038 0.000 0.952 130 R HN 0.477 nan 8.270 nan 0.000 0.484 131 I N 1.031 121.549 120.570 -0.087 0.000 2.498 131 I HA 0.143 4.314 4.170 0.002 0.000 0.290 131 I C -1.067 175.065 176.117 0.024 0.000 1.032 131 I CA -0.960 60.252 61.300 -0.147 0.000 1.073 131 I CB 2.270 40.090 38.000 -0.299 0.000 1.251 131 I HN -0.183 nan 8.210 nan 0.000 0.426 132 D N 8.412 128.912 120.400 0.167 0.000 2.427 132 D HA 0.322 4.963 4.640 0.002 0.000 0.226 132 D C -1.900 174.501 176.300 0.168 0.000 1.076 132 D CA -2.310 51.784 54.000 0.156 0.000 0.849 132 D CB 1.992 42.886 40.800 0.158 0.000 1.052 132 D HN 0.120 nan 8.370 nan 0.000 0.515 133 P HA -0.096 nan 4.420 nan 0.000 0.220 133 P C 0.836 178.205 177.300 0.115 0.000 1.144 133 P CA 0.922 64.102 63.100 0.132 0.000 0.800 133 P CB 0.289 32.076 31.700 0.145 0.000 0.772 134 A N -1.635 121.245 122.820 0.099 0.000 2.119 134 A HA -0.068 4.253 4.320 0.002 0.000 0.216 134 A C 1.331 178.954 177.584 0.066 0.000 1.152 134 A CA 0.712 52.791 52.037 0.071 0.000 0.708 134 A CB -0.583 18.449 19.000 0.053 0.000 0.805 134 A HN 0.119 nan 8.150 nan 0.000 0.460 135 Q N 0.558 120.415 119.800 0.095 0.000 2.354 135 Q HA 0.249 4.590 4.340 0.002 0.000 0.244 135 Q C -2.450 173.585 176.000 0.059 0.000 0.969 135 Q CA -2.022 53.814 55.803 0.054 0.000 0.885 135 Q CB 0.375 29.137 28.738 0.040 0.000 1.241 135 Q HN 0.273 nan 8.270 nan 0.000 0.461 136 P HA 0.013 nan 4.420 nan 0.000 0.275 136 P C 0.784 178.093 177.300 0.015 0.000 1.228 136 P CA -0.080 63.020 63.100 0.001 0.000 0.786 136 P CB 0.763 32.441 31.700 -0.037 0.000 0.927 137 V N 2.251 122.195 119.914 0.050 0.000 2.370 137 V HA -0.278 3.843 4.120 0.002 0.000 0.252 137 V C 2.539 178.613 176.094 -0.034 0.000 1.068 137 V CA 3.055 65.386 62.300 0.052 0.000 1.061 137 V CB -2.054 29.785 31.823 0.027 0.000 0.656 137 V HN 0.734 nan 8.190 nan 0.000 0.455 138 T N -1.736 112.769 114.554 -0.081 0.000 3.051 138 T HA -0.170 4.181 4.350 0.002 0.000 0.269 138 T C 1.610 176.197 174.700 -0.189 0.000 1.127 138 T CA 1.280 63.299 62.100 -0.134 0.000 1.107 138 T CB -0.265 68.540 68.868 -0.105 0.000 0.898 138 T HN 0.514 nan 8.240 nan 0.000 0.517 139 E N 0.859 120.898 120.200 -0.267 0.000 2.153 139 E HA -0.133 4.218 4.350 0.002 0.000 0.194 139 E C 1.102 177.365 176.600 -0.561 0.000 0.988 139 E CA 1.385 57.505 56.400 -0.466 0.000 0.811 139 E CB -0.408 28.878 29.700 -0.691 0.000 0.746 139 E HN 0.782 nan 8.360 nan 0.000 0.466 140 Y N -1.538 118.691 120.300 -0.119 0.000 2.559 140 Y HA 0.314 4.865 4.550 0.002 0.000 0.279 140 Y C 0.442 176.211 175.900 -0.218 0.000 1.117 140 Y CA -0.006 58.013 58.100 -0.134 0.000 1.263 140 Y CB 0.988 39.379 38.460 -0.115 0.000 1.230 140 Y HN -0.188 nan 8.280 nan 0.000 0.528 141 V N 2.433 122.238 119.914 -0.181 0.000 2.315 141 V HA 0.224 4.345 4.120 0.002 0.000 0.265 141 V C -2.078 173.817 176.094 -0.333 0.000 1.019 141 V CA -1.380 60.666 62.300 -0.424 0.000 0.824 141 V CB 1.112 32.398 31.823 -0.895 0.000 1.072 141 V HN -0.003 nan 8.190 nan 0.000 0.448 142 P HA -0.122 nan 4.420 nan 0.000 0.219 142 P C 1.207 178.419 177.300 -0.148 0.000 1.146 142 P CA 1.038 64.042 63.100 -0.160 0.000 0.808 142 P CB 0.420 32.047 31.700 -0.122 0.000 0.779 143 E N -1.095 119.003 120.200 -0.170 0.000 2.478 143 E HA -0.024 4.327 4.350 0.002 0.000 0.198 143 E C 1.421 177.966 176.600 -0.092 0.000 1.046 143 E CA 0.430 56.776 56.400 -0.090 0.000 0.870 143 E CB -0.805 28.898 29.700 0.005 0.000 0.818 143 E HN 0.278 nan 8.360 nan 0.000 0.527 144 L N 0.179 121.284 121.223 -0.196 0.000 2.591 144 L HA 0.219 4.560 4.340 0.002 0.000 0.228 144 L C 0.698 177.541 176.870 -0.047 0.000 1.133 144 L CA -0.565 54.205 54.840 -0.118 0.000 0.880 144 L CB -0.157 41.783 42.059 -0.198 0.000 1.033 144 L HN 0.027 nan 8.230 nan 0.000 0.450 145 A N -0.058 122.725 122.820 -0.061 0.000 2.561 145 A HA 0.334 4.655 4.320 0.002 0.000 0.234 145 A C 1.496 179.066 177.584 -0.024 0.000 1.055 145 A CA 0.803 52.814 52.037 -0.042 0.000 0.756 145 A CB -0.205 18.766 19.000 -0.048 0.000 0.986 145 A HN 0.591 nan 8.150 nan 0.000 0.505 146 G N 0.809 109.595 108.800 -0.024 0.000 2.179 146 G HA2 -0.175 3.786 3.960 0.002 0.000 0.260 146 G HA3 -0.175 3.786 3.960 0.002 0.000 0.260 146 G C 0.616 175.503 174.900 -0.022 0.000 0.977 146 G CA 1.182 46.269 45.100 -0.022 0.000 0.641 146 G HN 2.241 nan 8.290 nan 0.000 0.533 147 S N -1.571 114.121 115.700 -0.013 0.000 2.767 147 S HA 0.678 5.149 4.470 0.002 0.000 0.300 147 S C 1.268 175.829 174.600 -0.064 0.000 1.123 147 S CA 0.328 58.518 58.200 -0.016 0.000 0.992 147 S CB 1.860 65.093 63.200 0.053 0.000 1.138 147 S HN 1.218 nan 8.310 nan 0.000 0.550 148 V N 0.475 120.300 119.914 -0.149 0.000 2.867 148 V HA -0.044 4.077 4.120 0.002 0.000 0.260 148 V C 0.775 176.641 176.094 -0.380 0.000 1.099 148 V CA 1.406 63.533 62.300 -0.288 0.000 1.122 148 V CB -1.184 30.392 31.823 -0.411 0.000 0.708 148 V HN 0.824 nan 8.190 nan 0.000 0.490 149 Y N -0.478 119.781 120.300 -0.067 0.000 2.461 149 Y HA 0.300 4.851 4.550 0.001 0.000 0.277 149 Y C 0.836 176.692 175.900 -0.074 0.000 1.182 149 Y CA -0.362 57.696 58.100 -0.070 0.000 1.276 149 Y CB -0.004 38.409 38.460 -0.079 0.000 1.087 149 Y HN 0.239 nan 8.280 nan 0.000 0.519 150 D N 0.105 120.513 120.400 0.014 0.000 2.411 150 D HA 0.393 5.034 4.640 0.002 0.000 0.225 150 D C 0.981 177.264 176.300 -0.027 0.000 1.156 150 D CA 0.967 54.959 54.000 -0.013 0.000 0.874 150 D CB 0.492 41.276 40.800 -0.027 0.000 1.034 150 D HN 0.464 nan 8.370 nan 0.000 0.502 151 G N 4.700 113.489 108.800 -0.018 0.000 3.131 151 G HA2 -0.182 3.779 3.960 0.002 0.000 0.198 151 G HA3 -0.182 3.779 3.960 0.002 0.000 0.198 151 G C -1.953 172.943 174.900 -0.007 0.000 1.435 151 G CA -0.510 44.578 45.100 -0.021 0.000 1.016 151 G HN 0.540 nan 8.290 nan 0.000 0.499 152 P HA 0.425 nan 4.420 nan 0.000 0.268 152 P C 0.413 177.741 177.300 0.047 0.000 1.208 152 P CA 0.690 63.803 63.100 0.021 0.000 0.777 152 P CB 1.049 32.763 31.700 0.023 0.000 0.875 153 S N 0.254 115.985 115.700 0.051 0.000 2.632 153 S HA 0.149 4.620 4.470 0.002 0.000 0.267 153 S C 1.258 175.912 174.600 0.092 0.000 1.276 153 S CA -0.693 57.547 58.200 0.066 0.000 0.998 153 S CB 0.421 63.656 63.200 0.059 0.000 0.953 153 S HN 0.152 nan 8.310 nan 0.000 0.547 154 V N 1.161 121.142 119.914 0.112 0.000 2.392 154 V HA -0.135 3.986 4.120 0.002 0.000 0.249 154 V C 2.337 178.493 176.094 0.104 0.000 1.059 154 V CA 1.821 64.187 62.300 0.110 0.000 1.051 154 V CB -1.103 30.792 31.823 0.120 0.000 0.658 154 V HN 0.819 nan 8.190 nan 0.000 0.455 155 L N 0.002 121.285 121.223 0.101 0.000 2.083 155 L HA -0.188 4.153 4.340 0.002 0.000 0.209 155 L C 2.418 179.340 176.870 0.086 0.000 1.083 155 L CA 1.872 56.767 54.840 0.092 0.000 0.752 155 L CB -0.707 41.395 42.059 0.072 0.000 0.899 155 L HN 0.351 nan 8.230 nan 0.000 0.433 156 Q N -1.485 118.362 119.800 0.078 0.000 2.224 156 Q HA -0.139 4.202 4.340 0.002 0.000 0.203 156 Q C 2.120 178.172 176.000 0.087 0.000 0.970 156 Q CA 1.508 57.355 55.803 0.072 0.000 0.865 156 Q CB -0.073 28.696 28.738 0.052 0.000 0.922 156 Q HN 0.465 nan 8.270 nan 0.000 0.445 157 V N 0.801 120.779 119.914 0.106 0.000 2.323 157 V HA -0.239 3.882 4.120 0.002 0.000 0.244 157 V C 2.145 178.307 176.094 0.114 0.000 1.041 157 V CA 1.360 63.731 62.300 0.117 0.000 1.025 157 V CB -0.465 31.421 31.823 0.106 0.000 0.656 157 V HN 0.338 nan 8.190 nan 0.000 0.451 158 L N 0.038 121.336 121.223 0.125 0.000 2.042 158 L HA -0.218 4.123 4.340 0.002 0.000 0.210 158 L C 1.947 178.943 176.870 0.210 0.000 1.076 158 L CA 1.622 56.556 54.840 0.156 0.000 0.749 158 L CB -0.486 41.666 42.059 0.155 0.000 0.893 158 L HN 0.365 nan 8.230 nan 0.000 0.432 159 D N -1.057 119.456 120.400 0.188 0.000 2.339 159 D HA 0.073 4.714 4.640 0.002 0.000 0.217 159 D C 0.844 177.309 176.300 0.275 0.000 1.050 159 D CA 0.179 54.340 54.000 0.269 0.000 0.856 159 D CB 0.313 41.209 40.800 0.160 0.000 0.922 159 D HN 0.145 nan 8.370 nan 0.000 0.518 160 M N 0.174 119.855 119.600 0.134 0.000 2.253 160 M HA -0.271 4.210 4.480 0.002 0.000 0.195 160 M C -0.534 175.724 176.300 -0.069 0.000 0.512 160 M CA 0.653 55.923 55.300 -0.050 0.000 0.442 160 M CB -1.779 30.652 32.600 -0.283 0.000 1.189 160 M HN 0.094 nan 8.290 nan 0.000 0.923 161 Q N 0.571 120.376 119.800 0.009 0.000 2.553 161 Q HA 0.555 4.896 4.340 0.002 0.000 0.395 161 Q C -0.453 175.526 176.000 -0.034 0.000 0.971 161 Q CA -0.004 55.805 55.803 0.009 0.000 1.090 161 Q CB 0.723 29.499 28.738 0.063 0.000 1.328 161 Q HN 0.592 nan 8.270 nan 0.000 0.413 162 I N -0.061 120.453 120.570 -0.092 0.000 2.466 162 I HA 0.232 4.403 4.170 0.002 0.000 0.289 162 I C -0.091 175.932 176.117 -0.157 0.000 1.026 162 I CA -0.833 60.394 61.300 -0.122 0.000 1.078 162 I CB 2.179 40.084 38.000 -0.159 0.000 1.249 162 I HN -0.006 nan 8.210 nan 0.000 0.429 163 S N 7.023 122.645 115.700 -0.130 0.000 2.481 163 S HA 0.585 5.056 4.470 0.002 0.000 0.276 163 S C -0.519 173.995 174.600 -0.143 0.000 1.247 163 S CA -0.141 57.989 58.200 -0.118 0.000 1.053 163 S CB -0.094 63.059 63.200 -0.078 0.000 0.925 163 S HN 0.397 nan 8.310 nan 0.000 0.491 164 I N 3.501 123.994 120.570 -0.130 0.000 2.533 164 I HA 0.258 4.429 4.170 0.002 0.000 0.290 164 I C -0.691 175.413 176.117 -0.022 0.000 1.056 164 I CA -0.929 60.300 61.300 -0.117 0.000 1.057 164 I CB 2.050 39.955 38.000 -0.159 0.000 1.240 164 I HN 0.462 nan 8.210 nan 0.000 0.423 165 D N 5.641 126.033 120.400 -0.012 0.000 2.367 165 D HA 0.017 4.658 4.640 0.002 0.000 0.255 165 D C -1.339 175.017 176.300 0.093 0.000 1.300 165 D CA 0.627 54.641 54.000 0.022 0.000 0.959 165 D CB -0.054 40.739 40.800 -0.011 0.000 1.064 165 D HN 0.368 nan 8.370 nan 0.000 0.509 166 Y N 3.943 124.225 120.300 -0.030 0.000 2.475 166 Y HA 0.198 4.749 4.550 0.002 0.000 0.343 166 Y C -0.491 175.427 175.900 0.030 0.000 1.068 166 Y CA -1.177 56.925 58.100 0.003 0.000 1.307 166 Y CB 0.414 38.867 38.460 -0.011 0.000 1.097 166 Y HN 0.178 nan 8.280 nan 0.000 0.530 167 N N 3.403 122.070 118.700 -0.055 0.000 2.452 167 N HA -0.017 4.724 4.740 0.002 0.000 0.266 167 N C 0.431 175.948 175.510 0.012 0.000 1.209 167 N CA 0.653 53.698 53.050 -0.008 0.000 0.929 167 N CB 0.863 39.329 38.487 -0.036 0.000 1.063 167 N HN 0.660 nan 8.380 nan 0.000 0.472 168 E N 1.228 121.501 120.200 0.121 0.000 2.463 168 E HA -0.047 4.304 4.350 0.002 0.000 0.193 168 E C -0.572 176.133 176.600 0.176 0.000 1.041 168 E CA -0.015 56.496 56.400 0.186 0.000 0.879 168 E CB 0.058 29.885 29.700 0.213 0.000 0.997 168 E HN 0.577 nan 8.360 nan 0.000 0.478 169 D N 0.469 120.942 120.400 0.120 0.000 2.455 169 D HA -0.073 4.568 4.640 0.002 0.000 0.234 169 D C 0.793 177.177 176.300 0.139 0.000 1.224 169 D CA -0.094 53.981 54.000 0.126 0.000 0.999 169 D CB -0.240 40.608 40.800 0.080 0.000 1.072 169 D HN 0.042 nan 8.370 nan 0.000 0.514 170 Y N 3.333 123.680 120.300 0.078 0.000 2.181 170 Y HA -0.235 4.317 4.550 0.002 0.000 0.288 170 Y C 2.156 178.094 175.900 0.063 0.000 1.146 170 Y CA 1.924 60.071 58.100 0.078 0.000 1.164 170 Y CB -0.016 38.510 38.460 0.109 0.000 0.982 170 Y HN 0.378 nan 8.280 nan 0.000 0.515 171 V N -1.578 118.466 119.914 0.218 0.000 2.720 171 V HA -0.178 3.943 4.120 0.002 0.000 0.256 171 V C 0.679 176.791 176.094 0.030 0.000 1.082 171 V CA 1.606 63.989 62.300 0.138 0.000 1.101 171 V CB -0.752 31.152 31.823 0.135 0.000 0.693 171 V HN 0.311 nan 8.190 nan 0.000 0.479 172 D N 2.271 122.675 120.400 0.006 0.000 2.325 172 D HA 0.202 4.843 4.640 0.002 0.000 0.251 172 D C -1.204 175.050 176.300 -0.076 0.000 1.196 172 D CA -2.446 51.542 54.000 -0.021 0.000 0.866 172 D CB 1.719 42.516 40.800 -0.005 0.000 1.101 172 D HN 0.226 nan 8.370 nan 0.000 0.476 173 P HA -0.115 nan 4.420 nan 0.000 0.222 173 P C 0.837 178.092 177.300 -0.076 0.000 1.147 173 P CA 0.660 63.706 63.100 -0.089 0.000 0.790 173 P CB 0.216 31.886 31.700 -0.049 0.000 0.780 174 A N 0.370 123.159 122.820 -0.051 0.000 2.119 174 A HA 0.026 4.347 4.320 0.002 0.000 0.216 174 A C 1.363 178.914 177.584 -0.054 0.000 1.152 174 A CA 0.481 52.496 52.037 -0.038 0.000 0.708 174 A CB -1.170 17.817 19.000 -0.021 0.000 0.805 174 A HN 0.385 nan 8.150 nan 0.000 0.460 175 S N -0.013 115.639 115.700 -0.080 0.000 2.560 175 S HA 0.118 4.589 4.470 0.002 0.000 0.284 175 S C 0.515 175.024 174.600 -0.151 0.000 1.327 175 S CA 0.244 58.380 58.200 -0.106 0.000 1.055 175 S CB 0.827 63.969 63.200 -0.097 0.000 0.868 175 S HN 0.355 nan 8.310 nan 0.000 0.506 176 E N 1.552 121.607 120.200 -0.243 0.000 2.153 176 E HA -0.078 4.273 4.350 0.002 0.000 0.194 176 E C 1.881 178.253 176.600 -0.380 0.000 0.988 176 E CA 1.027 57.230 56.400 -0.328 0.000 0.811 176 E CB -0.434 28.797 29.700 -0.783 0.000 0.746 176 E HN 0.571 nan 8.360 nan 0.000 0.466 177 V N 0.325 120.021 119.914 -0.364 0.000 2.358 177 V HA -0.272 3.849 4.120 0.002 0.000 0.246 177 V C 2.148 178.221 176.094 -0.035 0.000 1.047 177 V CA 2.106 64.398 62.300 -0.013 0.000 1.035 177 V CB -0.064 31.891 31.823 0.219 0.000 0.658 177 V HN 0.305 nan 8.190 nan 0.000 0.452 178 Q N -1.058 118.573 119.800 -0.280 0.000 2.137 178 Q HA -0.143 4.198 4.340 0.002 0.000 0.198 178 Q C 2.145 177.994 176.000 -0.251 0.000 0.960 178 Q CA 1.888 57.409 55.803 -0.470 0.000 0.847 178 Q CB -0.024 28.320 28.738 -0.657 0.000 0.915 178 Q HN 0.701 nan 8.270 nan 0.000 0.448 179 T N -0.470 113.959 114.554 -0.208 0.000 2.788 179 T HA -0.184 4.167 4.350 0.002 0.000 0.268 179 T C 1.428 175.856 174.700 -0.453 0.000 1.044 179 T CA 1.453 63.434 62.100 -0.197 0.000 1.139 179 T CB -0.371 68.485 68.868 -0.020 0.000 0.867 179 T HN 0.504 nan 8.240 nan 0.000 0.454 180 H N 0.692 119.277 119.070 -0.809 0.000 2.321 180 H HA -0.123 4.434 4.556 0.002 0.000 0.300 180 H C 1.932 177.007 175.328 -0.422 0.000 1.087 180 H CA 1.190 56.609 56.048 -1.050 0.000 1.319 180 H CB 0.143 29.608 29.762 -0.495 0.000 1.379 180 H HN 0.186 nan 8.280 nan 0.000 0.501 181 D N -0.039 120.273 120.400 -0.146 0.000 2.117 181 D HA -0.120 4.521 4.640 0.002 0.000 0.197 181 D C 2.376 178.605 176.300 -0.118 0.000 0.987 181 D CA 0.962 54.889 54.000 -0.122 0.000 0.829 181 D CB -0.129 40.749 40.800 0.130 0.000 0.961 181 D HN 0.392 nan 8.370 nan 0.000 0.460 182 R N 0.233 120.666 120.500 -0.111 0.000 2.075 182 R HA 0.018 4.359 4.340 0.002 0.000 0.232 182 R C 2.311 178.559 176.300 -0.088 0.000 1.126 182 R CA 1.019 57.073 56.100 -0.078 0.000 0.963 182 R CB -0.250 30.007 30.300 -0.072 0.000 0.858 182 R HN 0.044 nan 8.270 nan 0.000 0.435 183 S N 0.645 116.268 115.700 -0.129 0.000 2.442 183 S HA -0.075 4.396 4.470 0.002 0.000 0.236 183 S C 1.751 176.307 174.600 -0.074 0.000 1.007 183 S CA 1.166 59.316 58.200 -0.083 0.000 0.965 183 S CB 0.137 63.283 63.200 -0.089 0.000 0.773 183 S HN 0.445 nan 8.310 nan 0.000 0.504 184 A N -0.037 122.702 122.820 -0.135 0.000 2.303 184 A HA 0.571 4.892 4.320 0.002 0.000 0.217 184 A C 1.572 179.045 177.584 -0.184 0.000 1.205 184 A CA 0.632 52.548 52.037 -0.200 0.000 0.875 184 A CB -0.266 18.442 19.000 -0.487 0.000 0.910 184 A HN 0.813 nan 8.150 nan 0.000 0.501 185 G N -2.700 106.040 108.800 -0.100 0.000 2.157 185 G HA2 -0.257 3.704 3.960 0.002 0.000 0.239 185 G HA3 -0.257 3.704 3.960 0.002 0.000 0.239 185 G C 0.433 175.367 174.900 0.057 0.000 0.982 185 G CA 0.383 45.471 45.100 -0.020 0.000 0.650 185 G HN 0.391 nan 8.290 nan 0.000 0.527 186 W N 0.795 121.909 121.300 -0.309 0.000 2.678 186 W HA 0.418 5.078 4.660 0.002 0.000 0.256 186 W C 1.615 178.055 176.519 -0.132 0.000 1.280 186 W CA 0.569 57.754 57.345 -0.267 0.000 1.345 186 W CB 0.164 29.403 29.460 -0.367 0.000 1.118 186 W HN 0.229 nan 8.180 nan 0.000 0.629 187 R N -1.436 119.119 120.500 0.092 0.000 2.799 187 R HA 0.326 4.667 4.340 0.002 0.000 0.270 187 R C -0.321 175.989 176.300 0.016 0.000 1.010 187 R CA -0.806 55.326 56.100 0.052 0.000 0.916 187 R CB 1.320 31.661 30.300 0.069 0.000 1.228 187 R HN -0.399 nan 8.270 nan 0.000 0.469 188 T N 2.500 117.061 114.554 0.011 0.000 2.902 188 T HA 0.081 4.432 4.350 0.002 0.000 0.301 188 T C 0.447 175.150 174.700 0.004 0.000 1.012 188 T CA 0.127 62.232 62.100 0.007 0.000 1.151 188 T CB 0.202 69.076 68.868 0.010 0.000 0.946 188 T HN 0.194 nan 8.240 nan 0.000 0.542 189 R N 2.427 122.931 120.500 0.007 0.000 2.643 189 R HA 0.286 4.627 4.340 0.002 0.000 0.270 189 R C 0.533 176.844 176.300 0.020 0.000 1.061 189 R CA -0.018 56.086 56.100 0.007 0.000 1.107 189 R CB 0.561 30.869 30.300 0.013 0.000 0.999 189 R HN 0.534 nan 8.270 nan 0.000 0.460 190 R N 0.517 121.028 120.500 0.019 0.000 2.787 190 R HA 0.170 4.511 4.340 0.002 0.000 0.271 190 R C -0.473 175.868 176.300 0.068 0.000 0.993 190 R CA -1.099 55.027 56.100 0.044 0.000 0.993 190 R CB 1.020 31.336 30.300 0.027 0.000 1.155 190 R HN 0.539 nan 8.270 nan 0.000 0.486 191 H N -0.077 118.996 119.070 0.006 0.000 3.034 191 H HA 0.109 4.665 4.556 0.001 0.000 0.324 191 H C 1.174 176.509 175.328 0.012 0.000 1.015 191 H CA 2.103 58.156 56.048 0.009 0.000 1.429 191 H CB 0.427 30.194 29.762 0.009 0.000 1.429 191 H HN 0.812 nan 8.280 nan 0.000 0.585 192 G N 3.732 112.229 108.800 -0.504 0.000 2.217 192 G HA2 -0.272 3.689 3.960 0.002 0.000 0.246 192 G HA3 -0.272 3.689 3.960 0.002 0.000 0.246 192 G C 0.103 174.923 174.900 -0.133 0.000 0.990 192 G CA 0.111 45.004 45.100 -0.345 0.000 0.627 192 G HN 0.710 nan 8.290 nan 0.000 0.522 193 D N 2.149 122.502 120.400 -0.078 0.000 2.400 193 D HA 0.431 5.072 4.640 0.002 0.000 0.238 193 D C -1.661 174.638 176.300 -0.002 0.000 1.157 193 D CA -0.613 53.376 54.000 -0.019 0.000 0.889 193 D CB 0.521 41.313 40.800 -0.012 0.000 1.199 193 D HN 0.166 nan 8.370 nan 0.000 0.436 194 P HA 0.075 nan 4.420 nan 0.000 0.269 194 P C -0.053 177.268 177.300 0.035 0.000 1.215 194 P CA -0.163 62.975 63.100 0.063 0.000 0.780 194 P CB 0.633 32.424 31.700 0.151 0.000 0.898 195 A N 2.033 124.869 122.820 0.027 0.000 1.969 195 A HA -0.033 4.288 4.320 0.002 0.000 0.218 195 A C 0.524 178.110 177.584 0.003 0.000 1.169 195 A CA 1.821 53.866 52.037 0.014 0.000 0.635 195 A CB -0.834 18.177 19.000 0.018 0.000 0.810 195 A HN 0.740 nan 8.150 nan 0.000 0.445 196 D N -5.770 114.628 120.400 -0.003 0.000 2.759 196 D HA 0.323 4.965 4.640 0.002 0.000 0.321 196 D C 0.374 176.632 176.300 -0.069 0.000 1.267 196 D CA 0.124 54.090 54.000 -0.058 0.000 0.933 196 D CB -0.091 40.648 40.800 -0.102 0.000 1.431 196 D HN -0.201 nan 8.370 nan 0.000 0.504 197 T N -0.974 113.471 114.554 -0.182 0.000 2.821 197 T HA -0.114 4.237 4.350 0.002 0.000 0.267 197 T C 1.309 175.879 174.700 -0.217 0.000 1.046 197 T CA 1.432 63.471 62.100 -0.101 0.000 1.139 197 T CB -0.600 68.269 68.868 0.001 0.000 0.871 197 T HN 0.375 nan 8.240 nan 0.000 0.454 198 Y N 1.598 121.598 120.300 -0.499 0.000 2.128 198 Y HA -0.107 4.444 4.550 0.001 0.000 0.284 198 Y C 2.612 178.348 175.900 -0.274 0.000 1.154 198 Y CA 0.908 58.524 58.100 -0.807 0.000 1.149 198 Y CB -0.609 37.102 38.460 -1.249 0.000 0.976 198 Y HN 0.292 nan 8.280 nan 0.000 0.505 199 E N -0.252 119.969 120.200 0.035 0.000 2.077 199 E HA -0.242 4.109 4.350 0.002 0.000 0.193 199 E C 2.076 178.745 176.600 0.116 0.000 0.989 199 E CA 1.130 57.586 56.400 0.093 0.000 0.800 199 E CB -0.396 29.350 29.700 0.076 0.000 0.746 199 E HN 0.422 nan 8.360 nan 0.000 0.452 200 F N 1.460 121.406 119.950 -0.006 0.000 2.126 200 F HA -0.200 4.328 4.527 0.001 0.000 0.299 200 F C 1.823 177.642 175.800 0.032 0.000 1.096 200 F CA 1.428 59.428 58.000 -0.001 0.000 1.255 200 F CB -0.242 38.746 39.000 -0.020 0.000 0.997 200 F HN 0.003 nan 8.300 nan 0.000 0.479 201 L N 0.031 121.218 121.223 -0.061 0.000 2.083 201 L HA -0.203 4.138 4.340 0.002 0.000 0.209 201 L C 2.557 179.434 176.870 0.011 0.000 1.083 201 L CA 1.771 56.567 54.840 -0.073 0.000 0.752 201 L CB -1.346 40.823 42.059 0.183 0.000 0.899 201 L HN 0.354 nan 8.230 nan 0.000 0.433 202 T N -4.436 110.176 114.554 0.096 0.000 3.035 202 T HA -0.123 4.228 4.350 0.002 0.000 0.268 202 T C 1.707 176.405 174.700 -0.002 0.000 1.109 202 T CA 1.213 63.373 62.100 0.101 0.000 1.119 202 T CB -0.623 68.333 68.868 0.147 0.000 0.900 202 T HN 0.462 nan 8.240 nan 0.000 0.503 203 T N -0.065 114.431 114.554 -0.096 0.000 3.113 203 T HA 0.315 4.666 4.350 0.002 0.000 0.256 203 T C 0.675 175.283 174.700 -0.152 0.000 1.131 203 T CA -0.316 61.714 62.100 -0.117 0.000 1.074 203 T CB -0.633 68.157 68.868 -0.131 0.000 0.944 203 T HN 0.397 nan 8.240 nan 0.000 0.516 204 L N 2.094 123.208 121.223 -0.181 0.000 2.380 204 L HA 0.499 4.840 4.340 0.002 0.000 0.273 204 L C 0.591 177.390 176.870 -0.118 0.000 1.138 204 L CA -0.657 54.087 54.840 -0.160 0.000 0.832 204 L CB 0.507 42.484 42.059 -0.136 0.000 1.124 204 L HN 0.098 nan 8.230 nan 0.000 0.454 205 R N 1.694 122.128 120.500 -0.110 0.000 2.867 205 R HA 0.833 5.174 4.340 0.002 0.000 0.268 205 R C -0.370 175.863 176.300 -0.111 0.000 1.014 205 R CA -0.842 55.196 56.100 -0.104 0.000 0.946 205 R CB 2.070 32.328 30.300 -0.071 0.000 1.208 205 R HN 0.785 nan 8.270 nan 0.000 0.477 206 G N -0.402 108.331 108.800 -0.111 0.000 2.649 206 G HA2 0.233 4.194 3.960 0.002 0.000 0.290 206 G HA3 0.233 4.194 3.960 0.002 0.000 0.290 206 G C -0.533 174.320 174.900 -0.079 0.000 1.426 206 G CA -0.543 44.496 45.100 -0.101 0.000 0.794 206 G HN 0.496 nan 8.290 nan 0.000 0.483 207 D N -1.646 118.715 120.400 -0.065 0.000 2.363 207 D HA 0.272 4.913 4.640 0.002 0.000 0.226 207 D C 1.670 177.940 176.300 -0.052 0.000 1.020 207 D CA 1.162 55.132 54.000 -0.049 0.000 0.892 207 D CB 0.127 40.905 40.800 -0.037 0.000 0.900 207 D HN 1.701 nan 8.370 nan 0.000 0.531 208 G N -0.089 108.670 108.800 -0.068 0.000 2.213 208 G HA2 -0.267 3.695 3.960 0.002 0.000 0.236 208 G HA3 -0.267 3.695 3.960 0.002 0.000 0.236 208 G C 0.405 175.272 174.900 -0.056 0.000 0.991 208 G CA 0.281 45.342 45.100 -0.064 0.000 0.629 208 G HN 0.849 nan 8.290 nan 0.000 0.517 209 S N 0.474 116.144 115.700 -0.050 0.000 2.592 209 S HA 0.723 5.194 4.470 0.002 0.000 0.271 209 S C 0.270 174.843 174.600 -0.045 0.000 1.326 209 S CA 0.976 59.153 58.200 -0.038 0.000 1.024 209 S CB 1.884 65.067 63.200 -0.028 0.000 0.921 209 S HN 1.726 nan 8.310 nan 0.000 0.527 210 T N -2.669 111.867 114.554 -0.029 0.000 2.838 210 T HA 0.802 5.153 4.350 0.002 0.000 0.292 210 T C 0.795 175.493 174.700 -0.003 0.000 1.113 210 T CA -0.259 61.826 62.100 -0.024 0.000 1.008 210 T CB 1.048 69.904 68.868 -0.020 0.000 1.259 210 T HN 1.932 nan 8.240 nan 0.000 0.520 211 G N 0.006 108.812 108.800 0.010 0.000 2.259 211 G HA2 -0.176 3.785 3.960 0.002 0.000 0.217 211 G HA3 -0.176 3.785 3.960 0.002 0.000 0.217 211 G C -0.105 174.826 174.900 0.051 0.000 1.001 211 G CA 0.206 45.324 45.100 0.030 0.000 0.627 211 G HN 1.056 nan 8.290 nan 0.000 0.501 212 E N 0.100 120.326 120.200 0.042 0.000 2.191 212 E HA 0.577 4.928 4.350 0.002 0.000 0.278 212 E C -0.430 176.220 176.600 0.083 0.000 0.972 212 E CA -1.200 55.243 56.400 0.073 0.000 0.804 212 E CB 0.685 30.415 29.700 0.050 0.000 1.110 212 E HN 0.184 nan 8.360 nan 0.000 0.394 213 F N 3.869 123.806 119.950 -0.022 0.000 2.578 213 F HA 0.044 4.572 4.527 0.002 0.000 0.381 213 F C -0.279 175.481 175.800 -0.067 0.000 1.069 213 F CA 0.552 58.507 58.000 -0.074 0.000 1.231 213 F CB 0.504 39.453 39.000 -0.085 0.000 1.086 213 F HN 0.422 nan 8.300 nan 0.000 0.564 214 Q N 6.586 125.918 119.800 -0.781 0.000 2.294 214 Q HA 0.152 4.493 4.340 0.002 0.000 0.264 214 Q C -1.824 173.594 176.000 -0.971 0.000 0.992 214 Q CA -0.977 54.386 55.803 -0.732 0.000 0.747 214 Q CB 0.969 29.501 28.738 -0.344 0.000 1.262 214 Q HN 0.731 nan 8.270 nan 0.000 0.452 215 Y N 3.392 122.969 120.300 -1.205 0.000 2.605 215 Y HA 0.250 4.801 4.550 0.002 0.000 0.336 215 Y C -0.891 174.747 175.900 -0.438 0.000 1.111 215 Y CA -0.237 57.388 58.100 -0.793 0.000 1.422 215 Y CB 0.525 38.814 38.460 -0.285 0.000 1.193 215 Y HN 0.672 nan 8.280 nan 0.000 0.526 216 C N 5.648 124.516 119.300 -0.720 0.000 2.705 216 C HA 0.324 4.785 4.460 0.002 0.000 0.369 216 C C 1.120 175.736 174.990 -0.624 0.000 1.069 216 C CA -0.393 58.192 59.018 -0.721 0.000 1.260 216 C CB 0.311 27.657 27.740 -0.655 0.000 1.764 216 C HN 0.962 nan 8.230 nan 0.000 0.469 217 S N 2.738 118.104 115.700 -0.556 0.000 2.442 217 S HA -0.109 4.362 4.470 0.002 0.000 0.236 217 S C 2.001 176.535 174.600 -0.111 0.000 1.007 217 S CA 1.491 59.508 58.200 -0.305 0.000 0.965 217 S CB -0.008 63.083 63.200 -0.182 0.000 0.773 217 S HN 1.045 nan 8.310 nan 0.000 0.504 218 A N 2.653 125.385 122.820 -0.147 0.000 1.978 218 A HA -0.171 4.150 4.320 0.002 0.000 0.220 218 A C 1.945 179.496 177.584 -0.054 0.000 1.170 218 A CA 1.423 53.428 52.037 -0.053 0.000 0.636 218 A CB -0.578 18.413 19.000 -0.015 0.000 0.810 218 A HN 0.441 nan 8.150 nan 0.000 0.448 219 N N -0.057 118.603 118.700 -0.066 0.000 2.104 219 N HA -0.122 4.619 4.740 0.002 0.000 0.190 219 N C 1.704 177.166 175.510 -0.080 0.000 1.024 219 N CA 2.044 55.074 53.050 -0.033 0.000 0.853 219 N CB -0.785 37.688 38.487 -0.024 0.000 1.008 219 N HN 0.528 nan 8.380 nan 0.000 0.424 220 T N 1.177 115.673 114.554 -0.097 0.000 2.821 220 T HA -0.068 4.283 4.350 0.002 0.000 0.267 220 T C 1.083 175.706 174.700 -0.128 0.000 1.046 220 T CA 1.027 63.063 62.100 -0.107 0.000 1.139 220 T CB -0.175 68.605 68.868 -0.146 0.000 0.871 220 T HN 0.172 nan 8.240 nan 0.000 0.454 221 D N 0.853 121.196 120.400 -0.095 0.000 2.183 221 D HA -0.012 4.629 4.640 0.002 0.000 0.203 221 D C 2.212 178.594 176.300 0.136 0.000 0.969 221 D CA 0.397 54.409 54.000 0.020 0.000 0.842 221 D CB -0.431 40.448 40.800 0.132 0.000 0.957 221 D HN 0.197 nan 8.370 nan 0.000 0.484 222 V N 1.074 120.983 119.914 -0.007 0.000 2.343 222 V HA -0.215 3.906 4.120 0.002 0.000 0.247 222 V C 2.593 178.694 176.094 0.011 0.000 1.051 222 V CA 1.095 63.364 62.300 -0.051 0.000 1.036 222 V CB -0.441 31.079 31.823 -0.505 0.000 0.654 222 V HN 0.222 nan 8.190 nan 0.000 0.451 223 L N 0.103 121.309 121.223 -0.028 0.000 2.042 223 L HA -0.189 4.152 4.340 0.002 0.000 0.210 223 L C 2.738 179.625 176.870 0.028 0.000 1.076 223 L CA 1.695 56.528 54.840 -0.011 0.000 0.749 223 L CB -0.840 41.210 42.059 -0.014 0.000 0.893 223 L HN 0.374 nan 8.230 nan 0.000 0.432 224 A N -0.773 122.039 122.820 -0.012 0.000 1.933 224 A HA -0.254 4.067 4.320 0.002 0.000 0.218 224 A C 2.067 179.867 177.584 0.361 0.000 1.175 224 A CA 1.284 53.293 52.037 -0.047 0.000 0.628 224 A CB -0.905 17.759 19.000 -0.560 0.000 0.814 224 A HN 0.626 nan 8.150 nan 0.000 0.444 225 W N 0.880 122.300 121.300 0.199 0.000 2.358 225 W HA -0.144 4.517 4.660 0.001 0.000 0.303 225 W C 1.853 178.429 176.519 0.095 0.000 1.208 225 W CA 1.353 58.801 57.345 0.172 0.000 1.274 225 W CB -0.785 28.719 29.460 0.073 0.000 1.138 225 W HN 0.345 nan 8.180 nan 0.000 0.515 226 I N -0.211 120.478 120.570 0.198 0.000 2.208 226 I HA -0.348 3.823 4.170 0.002 0.000 0.245 226 I C 2.302 178.432 176.117 0.021 0.000 1.097 226 I CA 1.459 62.766 61.300 0.012 0.000 1.363 226 I CB -1.064 36.871 38.000 -0.109 0.000 1.051 226 I HN -0.299 nan 8.210 nan 0.000 0.413 227 V N 0.773 120.731 119.914 0.074 0.000 2.332 227 V HA -0.309 3.812 4.120 0.002 0.000 0.248 227 V C 2.381 178.565 176.094 0.149 0.000 1.055 227 V CA 2.033 64.376 62.300 0.072 0.000 1.038 227 V CB -0.673 31.252 31.823 0.170 0.000 0.651 227 V HN 0.463 nan 8.190 nan 0.000 0.450 228 E N -0.535 119.832 120.200 0.277 0.000 2.072 228 E HA -0.184 4.167 4.350 0.002 0.000 0.191 228 E C 2.511 179.237 176.600 0.210 0.000 0.985 228 E CA 0.801 57.374 56.400 0.288 0.000 0.801 228 E CB -0.154 29.788 29.700 0.403 0.000 0.750 228 E HN 0.383 nan 8.360 nan 0.000 0.452 229 R N 0.490 121.115 120.500 0.207 0.000 2.115 229 R HA -0.048 4.293 4.340 0.002 0.000 0.230 229 R C 2.304 178.663 176.300 0.097 0.000 1.111 229 R CA 0.585 56.766 56.100 0.136 0.000 0.976 229 R CB -0.572 29.791 30.300 0.104 0.000 0.870 229 R HN 0.125 nan 8.270 nan 0.000 0.445 230 V N 0.630 120.583 119.914 0.066 0.000 2.453 230 V HA -0.158 3.963 4.120 0.002 0.000 0.247 230 V C 2.318 178.441 176.094 0.048 0.000 1.048 230 V CA 2.225 64.547 62.300 0.036 0.000 1.049 230 V CB -0.487 31.287 31.823 -0.083 0.000 0.672 230 V HN 0.485 nan 8.190 nan 0.000 0.457 231 T N -3.674 110.920 114.554 0.067 0.000 3.023 231 T HA 0.291 4.642 4.350 0.002 0.000 0.249 231 T C 1.652 176.418 174.700 0.109 0.000 1.050 231 T CA 1.003 63.165 62.100 0.103 0.000 1.088 231 T CB 0.717 69.677 68.868 0.153 0.000 0.946 231 T HN 0.899 nan 8.240 nan 0.000 0.480 232 G N 1.490 110.354 108.800 0.106 0.000 2.162 232 G HA2 -0.204 3.758 3.960 0.002 0.000 0.260 232 G HA3 -0.204 3.758 3.960 0.002 0.000 0.260 232 G C -0.083 174.879 174.900 0.104 0.000 0.976 232 G CA 0.387 45.542 45.100 0.092 0.000 0.655 232 G HN 0.654 nan 8.290 nan 0.000 0.533 233 L N 0.281 121.586 121.223 0.136 0.000 2.325 233 L HA 0.543 4.884 4.340 0.002 0.000 0.279 233 L C 1.292 178.264 176.870 0.169 0.000 1.054 233 L CA -1.222 53.699 54.840 0.136 0.000 0.804 233 L CB 1.010 43.162 42.059 0.154 0.000 1.200 233 L HN 0.079 nan 8.230 nan 0.000 0.436 234 R N 0.615 121.201 120.500 0.144 0.000 2.638 234 R HA -0.122 4.219 4.340 0.002 0.000 0.268 234 R C 0.631 177.053 176.300 0.204 0.000 1.006 234 R CA 0.102 56.314 56.100 0.187 0.000 1.088 234 R CB 0.253 30.627 30.300 0.122 0.000 0.950 234 R HN 0.510 nan 8.270 nan 0.000 0.419 235 Y N 3.362 123.762 120.300 0.168 0.000 2.193 235 Y HA -0.271 4.280 4.550 0.002 0.000 0.285 235 Y C 1.820 177.748 175.900 0.047 0.000 1.166 235 Y CA 1.838 59.997 58.100 0.098 0.000 1.181 235 Y CB -0.116 38.347 38.460 0.004 0.000 0.976 235 Y HN 0.411 nan 8.280 nan 0.000 0.520 236 V N 0.525 120.404 119.914 -0.059 0.000 2.282 236 V HA -0.367 3.754 4.120 0.002 0.000 0.249 236 V C 2.405 178.428 176.094 -0.118 0.000 1.057 236 V CA 2.467 64.696 62.300 -0.118 0.000 1.032 236 V CB -0.702 31.125 31.823 0.006 0.000 0.645 236 V HN 0.518 nan 8.190 nan 0.000 0.447 237 E N -0.246 119.935 120.200 -0.032 0.000 2.112 237 E HA -0.126 4.225 4.350 0.002 0.000 0.190 237 E C 2.241 178.840 176.600 -0.003 0.000 0.979 237 E CA 0.981 57.382 56.400 0.002 0.000 0.814 237 E CB -0.197 29.529 29.700 0.044 0.000 0.762 237 E HN 0.559 nan 8.360 nan 0.000 0.460 238 A N 1.159 123.985 122.820 0.010 0.000 1.933 238 A HA -0.169 4.152 4.320 0.002 0.000 0.218 238 A C 2.121 179.740 177.584 0.058 0.000 1.175 238 A CA 1.210 53.332 52.037 0.142 0.000 0.628 238 A CB -0.622 18.476 19.000 0.162 0.000 0.814 238 A HN 0.390 nan 8.150 nan 0.000 0.444 239 L N -0.264 120.804 121.223 -0.258 0.000 2.131 239 L HA -0.085 4.256 4.340 0.002 0.000 0.210 239 L C 2.562 179.441 176.870 0.014 0.000 1.092 239 L CA 2.464 57.169 54.840 -0.226 0.000 0.759 239 L CB -0.670 41.091 42.059 -0.496 0.000 0.903 239 L HN 0.366 nan 8.230 nan 0.000 0.435 240 S N -1.768 113.939 115.700 0.011 0.000 2.345 240 S HA -0.170 4.301 4.470 0.002 0.000 0.219 240 S C 1.918 176.554 174.600 0.060 0.000 1.031 240 S CA 1.738 60.001 58.200 0.105 0.000 0.984 240 S CB -0.461 62.780 63.200 0.069 0.000 0.874 240 S HN 0.605 nan 8.310 nan 0.000 0.451 241 T N 0.432 114.968 114.554 -0.028 0.000 2.746 241 T HA -0.039 4.312 4.350 0.002 0.000 0.267 241 T C 1.184 175.705 174.700 -0.298 0.000 1.039 241 T CA 1.595 63.575 62.100 -0.200 0.000 1.142 241 T CB -0.399 68.260 68.868 -0.347 0.000 0.866 241 T HN 0.567 nan 8.240 nan 0.000 0.444 242 Y N -0.650 119.654 120.300 0.007 0.000 2.500 242 Y HA 0.402 4.953 4.550 0.002 0.000 0.270 242 Y C 1.528 177.435 175.900 0.012 0.000 1.134 242 Y CA -0.142 57.956 58.100 -0.003 0.000 1.293 242 Y CB 0.297 38.745 38.460 -0.020 0.000 1.063 242 Y HN 0.101 nan 8.280 nan 0.000 0.534 243 L N -2.686 118.632 121.223 0.158 0.000 2.865 243 L HA 0.132 4.473 4.340 0.002 0.000 0.167 243 L C 1.658 178.611 176.870 0.137 0.000 1.135 243 L CA 0.476 55.406 54.840 0.151 0.000 0.895 243 L CB -0.853 41.331 42.059 0.209 0.000 1.643 243 L HN 0.197 nan 8.230 nan 0.000 0.518 244 W N 1.269 122.574 121.300 0.010 0.000 2.358 244 W HA -0.126 4.535 4.660 0.002 0.000 0.303 244 W C 1.853 178.374 176.519 0.003 0.000 1.208 244 W CA 1.961 59.313 57.345 0.010 0.000 1.274 244 W CB 0.021 29.482 29.460 0.002 0.000 1.138 244 W HN 0.408 nan 8.180 nan 0.000 0.515 245 A N 0.130 123.010 122.820 0.099 0.000 2.209 245 A HA -0.114 4.207 4.320 0.002 0.000 0.212 245 A C 1.735 179.285 177.584 -0.057 0.000 1.158 245 A CA 1.017 53.064 52.037 0.017 0.000 0.742 245 A CB -0.417 18.603 19.000 0.034 0.000 0.790 245 A HN 0.304 nan 8.150 nan 0.000 0.472 246 K N -0.605 119.750 120.400 -0.076 0.000 2.374 246 K HA 0.315 4.636 4.320 0.002 0.000 0.196 246 K C 0.866 177.392 176.600 -0.122 0.000 1.023 246 K CA -0.019 56.221 56.287 -0.079 0.000 1.103 246 K CB 0.165 32.637 32.500 -0.047 0.000 0.848 246 K HN 0.414 nan 8.250 nan 0.000 0.528 247 L N 0.695 121.785 121.223 -0.221 0.000 2.492 247 L HA 0.005 4.346 4.340 0.002 0.000 0.223 247 L C 0.087 176.820 176.870 -0.228 0.000 1.132 247 L CA 0.127 54.801 54.840 -0.276 0.000 0.850 247 L CB -0.326 41.417 42.059 -0.527 0.000 0.966 247 L HN 0.240 nan 8.230 nan 0.000 0.454 248 D N 1.048 121.336 120.400 -0.187 0.000 2.697 248 D HA -0.178 4.463 4.640 0.002 0.000 0.238 248 D C 0.323 176.530 176.300 -0.155 0.000 1.152 248 D CA 0.646 54.567 54.000 -0.132 0.000 0.666 248 D CB -0.395 40.353 40.800 -0.086 0.000 1.037 248 D HN 0.350 nan 8.370 nan 0.000 0.423 249 A N 0.530 123.205 122.820 -0.242 0.000 2.386 249 A HA 0.294 4.615 4.320 0.002 0.000 0.248 249 A C 1.370 178.929 177.584 -0.042 0.000 1.082 249 A CA 0.207 52.115 52.037 -0.216 0.000 0.789 249 A CB 0.510 19.249 19.000 -0.435 0.000 1.025 249 A HN 0.274 nan 8.150 nan 0.000 0.490 250 D N 0.396 120.806 120.400 0.016 0.000 2.123 250 D HA -0.020 4.621 4.640 0.002 0.000 0.200 250 D C 0.560 176.910 176.300 0.083 0.000 0.976 250 D CA 1.331 55.356 54.000 0.043 0.000 0.831 250 D CB 0.146 40.972 40.800 0.043 0.000 0.974 250 D HN 0.552 nan 8.370 nan 0.000 0.469 251 R N 0.646 121.244 120.500 0.162 0.000 2.837 251 R HA 0.258 4.599 4.340 0.002 0.000 0.271 251 R C -0.791 175.716 176.300 0.345 0.000 0.993 251 R CA -0.867 55.343 56.100 0.183 0.000 0.931 251 R CB 1.452 31.831 30.300 0.132 0.000 1.206 251 R HN -0.151 nan 8.270 nan 0.000 0.474 252 D N 0.968 121.508 120.400 0.232 0.000 2.443 252 D HA 0.119 4.760 4.640 0.002 0.000 0.234 252 D C 0.099 176.404 176.300 0.009 0.000 1.172 252 D CA 0.574 54.686 54.000 0.186 0.000 0.878 252 D CB 0.637 41.467 40.800 0.049 0.000 1.204 252 D HN 0.543 nan 8.370 nan 0.000 0.453 253 A N 0.961 123.476 122.820 -0.510 0.000 2.246 253 A HA 0.671 4.992 4.320 0.002 0.000 0.291 253 A C 0.352 177.727 177.584 -0.349 0.000 1.103 253 A CA -0.356 51.291 52.037 -0.651 0.000 0.844 253 A CB 0.630 18.779 19.000 -1.419 0.000 1.136 253 A HN 0.596 nan 8.150 nan 0.000 0.500 254 T N -1.915 112.489 114.554 -0.250 0.000 2.916 254 T HA 0.700 5.051 4.350 0.002 0.000 0.292 254 T C -0.636 174.000 174.700 -0.106 0.000 1.064 254 T CA -0.475 61.540 62.100 -0.141 0.000 1.011 254 T CB 1.241 70.060 68.868 -0.081 0.000 1.152 254 T HN 0.976 nan 8.240 nan 0.000 0.510 255 I N 1.819 122.362 120.570 -0.045 0.000 2.692 255 I HA 0.460 4.631 4.170 0.002 0.000 0.293 255 I C 0.061 176.214 176.117 0.061 0.000 1.200 255 I CA -0.701 60.612 61.300 0.021 0.000 1.036 255 I CB 2.351 40.361 38.000 0.016 0.000 1.258 255 I HN 1.119 nan 8.210 nan 0.000 0.421 256 T N 4.586 119.221 114.554 0.134 0.000 2.926 256 T HA 0.480 4.831 4.350 0.002 0.000 0.307 256 T C -0.116 174.643 174.700 0.098 0.000 1.059 256 T CA -0.407 61.773 62.100 0.134 0.000 1.122 256 T CB 1.087 70.121 68.868 0.278 0.000 0.972 256 T HN 0.563 nan 8.240 nan 0.000 0.545 257 V N -0.034 119.916 119.914 0.060 0.000 2.823 257 V HA 0.705 4.826 4.120 0.002 0.000 0.312 257 V C -0.288 175.822 176.094 0.026 0.000 1.072 257 V CA -1.275 61.050 62.300 0.040 0.000 0.937 257 V CB 1.704 33.565 31.823 0.064 0.000 1.013 257 V HN 1.082 nan 8.190 nan 0.000 0.430 258 D N 1.486 121.898 120.400 0.020 0.000 2.440 258 D HA 0.210 4.851 4.640 0.002 0.000 0.269 258 D C 1.367 177.679 176.300 0.020 0.000 1.249 258 D CA 0.454 54.456 54.000 0.003 0.000 1.055 258 D CB 0.315 41.108 40.800 -0.012 0.000 1.104 258 D HN 0.797 nan 8.370 nan 0.000 0.561 259 T N -4.355 110.204 114.554 0.008 0.000 3.007 259 T HA -0.123 4.228 4.350 0.002 0.000 0.270 259 T C 1.585 176.298 174.700 0.023 0.000 1.107 259 T CA 1.494 63.607 62.100 0.023 0.000 1.118 259 T CB -1.026 67.854 68.868 0.019 0.000 0.889 259 T HN 0.602 nan 8.240 nan 0.000 0.506 260 T N -2.292 112.269 114.554 0.012 0.000 3.107 260 T HA 0.476 4.827 4.350 0.002 0.000 0.249 260 T C 1.809 176.531 174.700 0.037 0.000 1.096 260 T CA 0.470 62.580 62.100 0.017 0.000 1.012 260 T CB -0.349 68.533 68.868 0.024 0.000 0.977 260 T HN 0.862 nan 8.240 nan 0.000 0.527 261 G N 1.066 109.902 108.800 0.060 0.000 2.157 261 G HA2 -0.218 3.743 3.960 0.002 0.000 0.248 261 G HA3 -0.218 3.743 3.960 0.002 0.000 0.248 261 G C -0.227 174.754 174.900 0.135 0.000 0.979 261 G CA -0.115 45.035 45.100 0.084 0.000 0.650 261 G HN 0.635 nan 8.290 nan 0.000 0.529 262 F N 2.838 122.746 119.950 -0.069 0.000 2.472 262 F HA 0.573 5.102 4.527 0.002 0.000 0.364 262 F C 1.000 176.785 175.800 -0.024 0.000 1.090 262 F CA -0.473 57.465 58.000 -0.103 0.000 1.188 262 F CB 0.570 39.302 39.000 -0.445 0.000 1.105 262 F HN 0.277 nan 8.300 nan 0.000 0.536 263 G N 5.509 114.078 108.800 -0.385 0.000 2.441 263 G HA2 0.036 3.997 3.960 0.002 0.000 0.243 263 G HA3 0.036 3.997 3.960 0.002 0.000 0.243 263 G C -0.786 173.810 174.900 -0.506 0.000 1.281 263 G CA -0.555 44.391 45.100 -0.256 0.000 0.854 263 G HN 0.676 nan 8.290 nan 0.000 0.560 264 F N 3.586 123.316 119.950 -0.366 0.000 2.679 264 F HA 0.371 4.898 4.527 0.001 0.000 0.351 264 F C 1.575 177.170 175.800 -0.341 0.000 1.279 264 F CA -1.000 56.761 58.000 -0.399 0.000 1.227 264 F CB 0.147 38.938 39.000 -0.348 0.000 1.623 264 F HN 0.511 nan 8.300 nan 0.000 0.666 265 A N 3.291 125.777 122.820 -0.555 0.000 1.972 265 A HA -0.279 4.042 4.320 0.002 0.000 0.219 265 A C 2.105 179.454 177.584 -0.392 0.000 1.169 265 A CA 1.869 53.607 52.037 -0.499 0.000 0.635 265 A CB -0.854 17.584 19.000 -0.938 0.000 0.810 265 A HN 0.772 nan 8.150 nan 0.000 0.446 266 N N -1.642 116.699 118.700 -0.598 0.000 2.396 266 N HA 0.189 4.930 4.740 0.002 0.000 0.180 266 N C 1.023 176.285 175.510 -0.413 0.000 1.028 266 N CA 1.762 54.510 53.050 -0.504 0.000 0.893 266 N CB -0.147 37.976 38.487 -0.607 0.000 0.967 266 N HN 0.286 nan 8.380 nan 0.000 0.440 267 G N -2.271 106.248 108.800 -0.469 0.000 3.934 267 G HA2 0.202 4.163 3.960 0.002 0.000 0.212 267 G HA3 0.202 4.163 3.960 0.002 0.000 0.212 267 G C 0.698 175.776 174.900 0.296 0.000 1.126 267 G CA -0.085 44.959 45.100 -0.093 0.000 0.877 267 G HN 0.359 nan 8.290 nan 0.000 0.556 268 G N 0.646 109.642 108.800 0.325 0.000 3.337 268 G HA2 0.401 4.362 3.960 0.002 0.000 0.246 268 G HA3 0.401 4.362 3.960 0.002 0.000 0.246 268 G C 0.194 175.254 174.900 0.266 0.000 1.131 268 G CA 0.051 45.479 45.100 0.547 0.000 0.773 268 G HN 0.248 nan 8.290 nan 0.000 0.544 269 V N 1.350 121.356 119.914 0.154 0.000 2.583 269 V HA 0.447 4.568 4.120 0.002 0.000 0.287 269 V C 0.140 176.262 176.094 0.047 0.000 1.051 269 V CA -0.105 62.223 62.300 0.047 0.000 1.010 269 V CB 1.379 33.199 31.823 -0.005 0.000 0.988 269 V HN 0.169 nan 8.190 nan 0.000 0.478 270 S N 2.858 118.549 115.700 -0.014 0.000 2.513 270 S HA 0.820 5.291 4.470 0.002 0.000 0.299 270 S C -0.395 174.183 174.600 -0.037 0.000 1.087 270 S CA -0.579 57.631 58.200 0.016 0.000 1.012 270 S CB 1.629 64.836 63.200 0.011 0.000 1.044 270 S HN 1.152 nan 8.310 nan 0.000 0.485 271 C N 0.008 119.348 119.300 0.067 0.000 3.284 271 C HA 0.855 5.316 4.460 0.002 0.000 0.348 271 C C 0.223 175.350 174.990 0.228 0.000 1.448 271 C CA -0.883 58.197 59.018 0.104 0.000 1.223 271 C CB 0.595 28.395 27.740 0.099 0.000 1.588 271 C HN 0.877 nan 8.230 nan 0.000 0.451 272 T N -0.514 114.197 114.554 0.262 0.000 2.868 272 T HA 0.544 4.895 4.350 0.002 0.000 0.292 272 T C 1.222 176.091 174.700 0.282 0.000 1.028 272 T CA 0.352 62.613 62.100 0.269 0.000 1.059 272 T CB 1.118 70.108 68.868 0.203 0.000 0.991 272 T HN 1.981 nan 8.240 nan 0.000 0.531 273 A N 1.517 124.518 122.820 0.301 0.000 1.902 273 A HA -0.034 4.287 4.320 0.002 0.000 0.217 273 A C 2.415 180.113 177.584 0.189 0.000 1.181 273 A CA 1.711 53.888 52.037 0.233 0.000 0.623 273 A CB -0.886 18.270 19.000 0.259 0.000 0.818 273 A HN 0.866 nan 8.150 nan 0.000 0.443 274 R N 0.377 120.996 120.500 0.199 0.000 2.096 274 R HA -0.127 4.214 4.340 0.002 0.000 0.235 274 R C 1.295 177.661 176.300 0.110 0.000 1.127 274 R CA 2.085 58.267 56.100 0.137 0.000 0.968 274 R CB -0.620 29.754 30.300 0.124 0.000 0.861 274 R HN 0.470 nan 8.270 nan 0.000 0.440 275 D N -0.223 120.268 120.400 0.152 0.000 2.149 275 D HA -0.119 4.522 4.640 0.002 0.000 0.201 275 D C 1.728 178.114 176.300 0.143 0.000 0.972 275 D CA 0.869 54.940 54.000 0.118 0.000 0.835 275 D CB -0.221 40.751 40.800 0.286 0.000 0.966 275 D HN 0.174 nan 8.370 nan 0.000 0.476 276 L N 1.018 122.398 121.223 0.261 0.000 2.083 276 L HA -0.066 4.275 4.340 0.002 0.000 0.209 276 L C 2.043 179.011 176.870 0.164 0.000 1.083 276 L CA 1.501 56.497 54.840 0.261 0.000 0.752 276 L CB -0.669 41.531 42.059 0.235 0.000 0.899 276 L HN -0.043 nan 8.230 nan 0.000 0.433 277 A N -0.525 122.365 122.820 0.117 0.000 2.019 277 A HA -0.197 4.124 4.320 0.002 0.000 0.219 277 A C 2.339 179.958 177.584 0.059 0.000 1.164 277 A CA 1.504 53.592 52.037 0.085 0.000 0.644 277 A CB -0.541 18.492 19.000 0.055 0.000 0.805 277 A HN 0.534 nan 8.150 nan 0.000 0.449 278 R N -0.671 119.840 120.500 0.018 0.000 2.152 278 R HA -0.057 4.284 4.340 0.002 0.000 0.232 278 R C 1.857 178.153 176.300 -0.008 0.000 1.117 278 R CA 1.265 57.345 56.100 -0.034 0.000 0.981 278 R CB -0.472 29.748 30.300 -0.133 0.000 0.870 278 R HN 0.409 nan 8.270 nan 0.000 0.451 279 V N 0.204 120.146 119.914 0.048 0.000 2.358 279 V HA -0.137 3.984 4.120 0.002 0.000 0.246 279 V C 2.397 178.594 176.094 0.170 0.000 1.047 279 V CA 2.111 64.489 62.300 0.130 0.000 1.035 279 V CB -0.843 31.118 31.823 0.230 0.000 0.658 279 V HN 0.511 nan 8.190 nan 0.000 0.452 280 G N -0.057 108.845 108.800 0.170 0.000 2.422 280 G HA2 -0.302 3.659 3.960 0.002 0.000 0.218 280 G HA3 -0.302 3.659 3.960 0.002 0.000 0.218 280 G C 1.667 176.605 174.900 0.064 0.000 1.146 280 G CA 0.919 46.105 45.100 0.143 0.000 0.769 280 G HN 0.403 nan 8.290 nan 0.000 0.547 281 R N 0.080 120.609 120.500 0.048 0.000 2.091 281 R HA 0.008 4.349 4.340 0.002 0.000 0.238 281 R C 2.420 178.728 176.300 0.012 0.000 1.136 281 R CA 1.509 57.620 56.100 0.019 0.000 0.959 281 R CB -0.568 29.737 30.300 0.008 0.000 0.856 281 R HN 0.338 nan 8.270 nan 0.000 0.437 282 M N -0.652 118.962 119.600 0.023 0.000 2.117 282 M HA -0.159 4.322 4.480 0.002 0.000 0.262 282 M C 1.427 177.742 176.300 0.025 0.000 1.065 282 M CA 1.746 57.060 55.300 0.024 0.000 1.114 282 M CB -0.229 32.394 32.600 0.038 0.000 1.361 282 M HN 0.209 nan 8.290 nan 0.000 0.408 283 M N 0.253 119.869 119.600 0.027 0.000 2.175 283 M HA -0.108 4.373 4.480 0.002 0.000 0.264 283 M C 2.060 178.323 176.300 -0.063 0.000 1.063 283 M CA 1.260 56.541 55.300 -0.031 0.000 1.119 283 M CB -1.180 31.344 32.600 -0.126 0.000 1.377 283 M HN 0.329 nan 8.290 nan 0.000 0.415 284 L N -0.612 120.582 121.223 -0.048 0.000 2.554 284 L HA -0.078 4.263 4.340 0.002 0.000 0.226 284 L C 0.440 177.293 176.870 -0.029 0.000 1.137 284 L CA 0.276 55.087 54.840 -0.049 0.000 0.863 284 L CB -0.366 41.671 42.059 -0.037 0.000 0.985 284 L HN 0.145 nan 8.230 nan 0.000 0.451 285 D N 0.411 120.801 120.400 -0.016 0.000 2.491 285 D HA 0.184 4.825 4.640 0.002 0.000 0.228 285 D C 1.404 177.701 176.300 -0.004 0.000 1.183 285 D CA 0.436 54.430 54.000 -0.009 0.000 0.827 285 D CB 0.626 41.423 40.800 -0.005 0.000 0.989 285 D HN 0.247 nan 8.370 nan 0.000 0.494 286 G N 0.439 109.234 108.800 -0.008 0.000 2.153 286 G HA2 -0.238 3.723 3.960 0.002 0.000 0.252 286 G HA3 -0.238 3.723 3.960 0.002 0.000 0.252 286 G C 1.107 176.021 174.900 0.023 0.000 0.994 286 G CA 0.360 45.462 45.100 0.003 0.000 0.698 286 G HN 0.842 nan 8.290 nan 0.000 0.521 287 G N -3.076 105.741 108.800 0.028 0.000 2.179 287 G HA2 0.048 4.009 3.960 0.002 0.000 0.220 287 G HA3 0.048 4.009 3.960 0.002 0.000 0.220 287 G C 0.261 175.177 174.900 0.027 0.000 0.990 287 G CA 0.362 45.489 45.100 0.045 0.000 0.646 287 G HN 1.603 nan 8.290 nan 0.000 0.517 288 V N 1.030 120.953 119.914 0.015 0.000 2.472 288 V HA 0.838 4.959 4.120 0.002 0.000 0.290 288 V C 0.685 176.778 176.094 -0.002 0.000 1.037 288 V CA 0.055 62.358 62.300 0.006 0.000 0.908 288 V CB 1.400 33.224 31.823 0.002 0.000 0.985 288 V HN 1.088 nan 8.190 nan 0.000 0.454 289 A N 5.672 128.486 122.820 -0.010 0.000 2.344 289 A HA 0.849 5.170 4.320 0.002 0.000 0.307 289 A C -1.968 175.597 177.584 -0.031 0.000 1.151 289 A CA -1.715 50.306 52.037 -0.026 0.000 0.842 289 A CB 1.081 20.058 19.000 -0.038 0.000 1.350 289 A HN 0.608 nan 8.150 nan 0.000 0.459 290 P HA -0.085 nan 4.420 nan 0.000 0.217 290 P C 1.200 178.478 177.300 -0.036 0.000 1.148 290 P CA 1.953 65.030 63.100 -0.038 0.000 0.828 290 P CB 0.185 31.855 31.700 -0.049 0.000 0.783 291 G N -2.056 106.718 108.800 -0.044 0.000 3.141 291 G HA2 0.453 4.414 3.960 0.002 0.000 0.218 291 G HA3 0.453 4.414 3.960 0.002 0.000 0.218 291 G C 0.489 175.371 174.900 -0.030 0.000 1.170 291 G CA 0.379 45.456 45.100 -0.039 0.000 0.769 291 G HN 0.592 nan 8.290 nan 0.000 0.546 292 G N -0.653 108.132 108.800 -0.024 0.000 2.347 292 G HA2 0.108 4.069 3.960 0.002 0.000 0.477 292 G HA3 0.108 4.069 3.960 0.002 0.000 0.477 292 G C -0.686 174.208 174.900 -0.009 0.000 1.349 292 G CA -0.803 44.287 45.100 -0.016 0.000 1.000 292 G HN 0.439 nan 8.290 nan 0.000 0.605 293 R N -0.360 120.139 120.500 -0.002 0.000 2.537 293 R HA 0.479 4.820 4.340 0.002 0.000 0.280 293 R C 0.818 177.123 176.300 0.009 0.000 1.058 293 R CA 0.230 56.332 56.100 0.004 0.000 1.057 293 R CB 0.854 31.158 30.300 0.008 0.000 0.973 293 R HN 0.390 nan 8.270 nan 0.000 0.438 294 V N 4.759 124.679 119.914 0.011 0.000 2.627 294 V HA 0.055 4.176 4.120 0.002 0.000 0.239 294 V C 0.373 176.453 176.094 -0.024 0.000 1.077 294 V CA 1.000 63.309 62.300 0.015 0.000 1.103 294 V CB 0.660 32.501 31.823 0.029 0.000 0.802 294 V HN 0.710 nan 8.190 nan 0.000 0.482 295 V N -1.976 117.917 119.914 -0.035 0.000 3.126 295 V HA 0.787 4.908 4.120 0.002 0.000 0.314 295 V C -0.101 175.994 176.094 0.002 0.000 1.138 295 V CA -0.518 61.721 62.300 -0.102 0.000 1.034 295 V CB 1.605 33.295 31.823 -0.222 0.000 1.075 295 V HN 0.342 nan 8.190 nan 0.000 0.442 296 S N 0.297 116.018 115.700 0.035 0.000 2.593 296 S HA 0.254 4.725 4.470 0.002 0.000 0.269 296 S C 0.795 175.466 174.600 0.118 0.000 1.334 296 S CA 0.023 58.271 58.200 0.081 0.000 1.015 296 S CB 0.785 64.044 63.200 0.098 0.000 0.912 296 S HN 0.829 nan 8.310 nan 0.000 0.541 297 E N 1.093 121.339 120.200 0.075 0.000 2.118 297 E HA -0.209 4.142 4.350 0.002 0.000 0.195 297 E C 1.459 178.100 176.600 0.068 0.000 0.992 297 E CA 1.758 58.192 56.400 0.058 0.000 0.804 297 E CB -0.495 29.224 29.700 0.031 0.000 0.741 297 E HN 0.937 nan 8.360 nan 0.000 0.458 298 D N 0.166 120.617 120.400 0.086 0.000 2.117 298 D HA -0.170 4.471 4.640 0.002 0.000 0.198 298 D C 1.710 178.072 176.300 0.103 0.000 0.982 298 D CA 0.980 55.026 54.000 0.075 0.000 0.828 298 D CB -0.154 40.694 40.800 0.081 0.000 0.967 298 D HN 0.246 nan 8.370 nan 0.000 0.464 299 W N 0.851 122.138 121.300 -0.022 0.000 2.355 299 W HA -0.197 4.464 4.660 0.001 0.000 0.309 299 W C 1.702 178.187 176.519 -0.058 0.000 1.206 299 W CA 1.057 58.389 57.345 -0.023 0.000 1.284 299 W CB -0.488 28.972 29.460 -0.000 0.000 1.145 299 W HN -0.085 nan 8.180 nan 0.000 0.502 300 V N 1.705 121.715 119.914 0.160 0.000 2.343 300 V HA -0.301 3.820 4.120 0.002 0.000 0.247 300 V C 2.629 178.640 176.094 -0.138 0.000 1.051 300 V CA 2.173 64.463 62.300 -0.016 0.000 1.036 300 V CB -0.907 30.923 31.823 0.012 0.000 0.654 300 V HN 0.132 nan 8.190 nan 0.000 0.451 301 R N -0.235 120.213 120.500 -0.086 0.000 2.091 301 R HA -0.143 4.198 4.340 0.002 0.000 0.238 301 R C 2.536 178.742 176.300 -0.156 0.000 1.136 301 R CA 1.524 57.560 56.100 -0.106 0.000 0.959 301 R CB -0.351 29.912 30.300 -0.061 0.000 0.856 301 R HN 0.500 nan 8.270 nan 0.000 0.437 302 R N 0.056 120.439 120.500 -0.194 0.000 2.092 302 R HA -0.065 4.276 4.340 0.002 0.000 0.231 302 R C 2.315 178.423 176.300 -0.320 0.000 1.119 302 R CA 1.134 57.086 56.100 -0.246 0.000 0.970 302 R CB -0.304 29.819 30.300 -0.295 0.000 0.864 302 R HN 0.059 nan 8.270 nan 0.000 0.440 303 V N 1.616 121.274 119.914 -0.426 0.000 2.295 303 V HA -0.225 3.896 4.120 0.002 0.000 0.246 303 V C 2.274 178.150 176.094 -0.364 0.000 1.049 303 V CA 1.658 63.682 62.300 -0.459 0.000 1.024 303 V CB -0.381 31.057 31.823 -0.641 0.000 0.648 303 V HN 0.292 nan 8.190 nan 0.000 0.447 304 L N -0.014 121.020 121.223 -0.316 0.000 2.201 304 L HA -0.098 4.243 4.340 0.002 0.000 0.212 304 L C 2.594 179.358 176.870 -0.177 0.000 1.105 304 L CA 1.254 55.943 54.840 -0.251 0.000 0.775 304 L CB -0.686 41.247 42.059 -0.210 0.000 0.913 304 L HN 0.368 nan 8.230 nan 0.000 0.440 305 A N -0.266 122.460 122.820 -0.156 0.000 2.014 305 A HA 0.316 4.637 4.320 0.002 0.000 0.218 305 A C 1.298 178.843 177.584 -0.066 0.000 1.163 305 A CA 0.991 52.969 52.037 -0.099 0.000 0.652 305 A CB -0.406 18.538 19.000 -0.093 0.000 0.808 305 A HN 0.476 nan 8.150 nan 0.000 0.449 306 G N -2.996 105.743 108.800 -0.102 0.000 2.661 306 G HA2 0.399 4.360 3.960 0.002 0.000 0.685 306 G HA3 0.399 4.360 3.960 0.002 0.000 0.685 306 G C 0.216 175.095 174.900 -0.035 0.000 1.298 306 G CA -0.355 44.710 45.100 -0.058 0.000 0.855 306 G HN 1.276 nan 8.290 nan 0.000 0.560 307 G N -1.088 107.712 108.800 -0.001 0.000 2.583 307 G HA2 0.722 4.683 3.960 0.002 0.000 0.280 307 G HA3 0.722 4.683 3.960 0.002 0.000 0.280 307 G C 0.635 175.606 174.900 0.117 0.000 1.376 307 G CA 0.905 46.019 45.100 0.024 0.000 1.043 307 G HN 1.946 nan 8.290 nan 0.000 0.538 308 S N -1.401 114.354 115.700 0.093 0.000 2.516 308 S HA 0.065 4.536 4.470 0.002 0.000 0.282 308 S C 1.161 175.888 174.600 0.211 0.000 1.286 308 S CA -0.215 58.050 58.200 0.109 0.000 1.066 308 S CB -0.140 63.100 63.200 0.066 0.000 0.884 308 S HN 0.575 nan 8.310 nan 0.000 0.491 309 H N 2.613 121.697 119.070 0.023 0.000 2.395 309 H HA -0.079 4.478 4.556 0.002 0.000 0.299 309 H C 1.988 177.346 175.328 0.050 0.000 1.070 309 H CA 1.331 57.402 56.048 0.038 0.000 1.356 309 H CB 0.120 29.902 29.762 0.033 0.000 1.401 309 H HN 0.776 nan 8.280 nan 0.000 0.524 310 E N 1.931 122.230 120.200 0.166 0.000 2.118 310 E HA -0.174 4.177 4.350 0.002 0.000 0.195 310 E C 2.228 178.895 176.600 0.111 0.000 0.992 310 E CA 1.317 57.783 56.400 0.110 0.000 0.804 310 E CB -0.179 29.562 29.700 0.069 0.000 0.741 310 E HN 0.411 nan 8.360 nan 0.000 0.458 311 A N 0.130 123.020 122.820 0.117 0.000 2.014 311 A HA 0.028 4.349 4.320 0.002 0.000 0.218 311 A C 1.393 179.079 177.584 0.171 0.000 1.163 311 A CA 1.006 53.122 52.037 0.132 0.000 0.652 311 A CB -0.455 18.623 19.000 0.130 0.000 0.808 311 A HN 0.394 nan 8.150 nan 0.000 0.449 312 M N 2.179 121.861 119.600 0.137 0.000 2.264 312 M HA 0.231 4.712 4.480 0.002 0.000 0.340 312 M C 0.607 177.013 176.300 0.177 0.000 1.420 312 M CA 0.598 55.974 55.300 0.126 0.000 1.254 312 M CB 0.156 32.793 32.600 0.062 0.000 1.575 312 M HN 0.214 nan 8.290 nan 0.000 0.452 313 T N -0.471 114.220 114.554 0.227 0.000 3.182 313 T HA 0.235 4.586 4.350 0.002 0.000 0.277 313 T C 0.057 174.886 174.700 0.214 0.000 1.013 313 T CA -0.585 61.628 62.100 0.188 0.000 0.900 313 T CB -0.359 68.598 68.868 0.148 0.000 1.098 313 T HN 0.547 nan 8.240 nan 0.000 0.543 314 D N 1.981 122.560 120.400 0.298 0.000 2.374 314 D HA 0.235 4.876 4.640 0.002 0.000 0.240 314 D C 1.006 177.461 176.300 0.258 0.000 1.229 314 D CA -0.229 53.953 54.000 0.303 0.000 0.895 314 D CB 1.117 42.186 40.800 0.449 0.000 1.046 314 D HN 0.238 nan 8.370 nan 0.000 0.498 315 K N 2.003 122.510 120.400 0.178 0.000 2.283 315 K HA -0.032 4.289 4.320 0.002 0.000 0.202 315 K C 1.884 178.571 176.600 0.145 0.000 1.048 315 K CA 0.745 57.116 56.287 0.140 0.000 0.948 315 K CB 0.170 32.731 32.500 0.101 0.000 0.742 315 K HN 0.472 nan 8.250 nan 0.000 0.458 316 G N 0.503 109.398 108.800 0.159 0.000 2.470 316 G HA2 -0.241 3.720 3.960 0.002 0.000 0.220 316 G HA3 -0.241 3.720 3.960 0.002 0.000 0.220 316 G C 1.150 176.176 174.900 0.210 0.000 1.121 316 G CA 0.424 45.622 45.100 0.163 0.000 0.766 316 G HN 0.221 nan 8.290 nan 0.000 0.553 317 F N 1.625 121.618 119.950 0.071 0.000 2.419 317 F HA 0.090 4.618 4.527 0.002 0.000 0.283 317 F C 2.842 178.747 175.800 0.176 0.000 1.044 317 F CA 1.616 59.697 58.000 0.135 0.000 1.376 317 F CB -0.479 38.642 39.000 0.201 0.000 1.131 317 F HN 0.125 nan 8.300 nan 0.000 0.585 318 T N -1.880 112.761 114.554 0.145 0.000 3.023 318 T HA -0.071 4.280 4.350 0.002 0.000 0.266 318 T C 1.641 176.311 174.700 -0.049 0.000 1.093 318 T CA 1.061 63.163 62.100 0.004 0.000 1.129 318 T CB -0.524 68.391 68.868 0.080 0.000 0.899 318 T HN 0.094 nan 8.240 nan 0.000 0.491 319 N N 1.438 120.121 118.700 -0.028 0.000 2.223 319 N HA -0.042 4.699 4.740 0.002 0.000 0.185 319 N C 1.862 177.275 175.510 -0.162 0.000 1.016 319 N CA 1.667 54.681 53.050 -0.061 0.000 0.863 319 N CB -0.616 37.858 38.487 -0.022 0.000 0.983 319 N HN 0.507 nan 8.380 nan 0.000 0.429 320 T N -0.707 113.672 114.554 -0.292 0.000 3.010 320 T HA 0.149 4.500 4.350 0.002 0.000 0.252 320 T C -0.018 174.208 174.700 -0.789 0.000 1.047 320 T CA 0.542 62.281 62.100 -0.600 0.000 1.140 320 T CB 0.079 68.424 68.868 -0.873 0.000 0.885 320 T HN 0.030 nan 8.240 nan 0.000 0.464 321 F N 1.993 121.762 119.950 -0.302 0.000 2.453 321 F HA 0.366 4.894 4.527 0.002 0.000 0.358 321 F C -1.856 173.759 175.800 -0.308 0.000 1.129 321 F CA -3.033 54.742 58.000 -0.375 0.000 1.200 321 F CB 1.365 39.927 39.000 -0.729 0.000 1.431 321 F HN -0.082 nan 8.300 nan 0.000 0.503 322 P HA -0.182 nan 4.420 nan 0.000 0.217 322 P C 0.332 177.609 177.300 -0.039 0.000 1.148 322 P CA 1.607 64.687 63.100 -0.034 0.000 0.828 322 P CB 0.452 32.142 31.700 -0.017 0.000 0.783 323 D N -0.502 119.856 120.400 -0.069 0.000 2.427 323 D HA 0.182 4.823 4.640 0.002 0.000 0.224 323 D C 1.214 177.274 176.300 -0.401 0.000 1.157 323 D CA 0.018 53.911 54.000 -0.178 0.000 0.828 323 D CB 0.123 40.889 40.800 -0.056 0.000 0.974 323 D HN 0.108 nan 8.370 nan 0.000 0.498 324 G N 0.558 109.220 108.800 -0.229 0.000 2.599 324 G HA2 0.442 4.403 3.960 0.002 0.000 0.264 324 G HA3 0.442 4.403 3.960 0.002 0.000 0.264 324 G C 0.243 175.132 174.900 -0.018 0.000 1.200 324 G CA -0.033 44.997 45.100 -0.118 0.000 0.896 324 G HN 0.204 nan 8.290 nan 0.000 0.536 325 S N -1.436 114.371 115.700 0.179 0.000 2.724 325 S HA 0.610 5.081 4.470 0.002 0.000 0.278 325 S C -1.652 172.929 174.600 -0.032 0.000 1.190 325 S CA -0.891 57.333 58.200 0.040 0.000 0.860 325 S CB 1.477 64.686 63.200 0.014 0.000 1.206 325 S HN 1.115 nan 8.310 nan 0.000 0.507 326 Y N 0.131 120.221 120.300 -0.350 0.000 2.441 326 Y HA 0.653 5.204 4.550 0.002 0.000 0.334 326 Y C -0.916 174.829 175.900 -0.257 0.000 1.061 326 Y CA -0.013 57.786 58.100 -0.501 0.000 1.032 326 Y CB 2.195 40.007 38.460 -1.080 0.000 1.266 326 Y HN 1.103 nan 8.280 nan 0.000 0.441 327 T N 5.594 119.907 114.554 -0.403 0.000 2.982 327 T HA 0.394 4.745 4.350 0.002 0.000 0.321 327 T C -0.807 173.718 174.700 -0.290 0.000 1.229 327 T CA -0.558 61.410 62.100 -0.219 0.000 1.044 327 T CB 0.936 69.697 68.868 -0.178 0.000 1.184 327 T HN 0.843 nan 8.240 nan 0.000 0.477 328 R N 3.167 123.586 120.500 -0.136 0.000 3.516 328 R HA -0.164 4.177 4.340 0.002 0.000 0.271 328 R C 0.014 176.337 176.300 0.037 0.000 1.098 328 R CA 0.876 56.949 56.100 -0.045 0.000 0.732 328 R CB -1.409 28.692 30.300 -0.332 0.000 1.152 328 R HN 0.795 nan 8.270 nan 0.000 0.455 329 Q N -4.431 115.262 119.800 -0.179 0.000 2.466 329 Q HA -0.228 4.113 4.340 0.002 0.000 0.248 329 Q C -0.902 174.735 176.000 -0.604 0.000 0.791 329 Q CA 2.002 57.649 55.803 -0.260 0.000 1.225 329 Q CB -1.661 27.032 28.738 -0.076 0.000 1.418 329 Q HN 0.601 nan 8.270 nan 0.000 0.662 330 W N -0.219 120.604 121.300 -0.795 0.000 2.736 330 W HA 0.572 5.234 4.660 0.002 0.000 0.335 330 W C -0.171 175.835 176.519 -0.855 0.000 1.059 330 W CA -0.659 56.354 57.345 -0.554 0.000 1.226 330 W CB 0.686 29.960 29.460 -0.310 0.000 1.416 330 W HN 0.041 nan 8.180 nan 0.000 0.505 331 W N 2.142 123.328 121.300 -0.191 0.000 2.316 331 W HA 0.475 5.135 4.660 0.002 0.000 0.311 331 W C -0.589 175.868 176.519 -0.104 0.000 1.217 331 W CA -0.318 56.890 57.345 -0.229 0.000 1.199 331 W CB 0.708 29.997 29.460 -0.286 0.000 1.202 331 W HN -0.002 nan 8.180 nan 0.000 0.528 332 C N 2.840 122.224 119.300 0.141 0.000 2.301 332 C HA 0.230 4.691 4.460 0.002 0.000 0.323 332 C C 1.789 176.838 174.990 0.099 0.000 1.265 332 C CA -0.533 58.508 59.018 0.038 0.000 1.503 332 C CB 0.268 27.975 27.740 -0.054 0.000 2.195 332 C HN 0.868 nan 8.230 nan 0.000 0.477 333 T N -0.638 113.817 114.554 -0.165 0.000 2.951 333 T HA 0.079 4.430 4.350 0.002 0.000 0.268 333 T C 1.699 176.238 174.700 -0.269 0.000 1.073 333 T CA 1.366 63.152 62.100 -0.523 0.000 1.134 333 T CB -0.346 67.956 68.868 -0.944 0.000 0.884 333 T HN 1.724 nan 8.240 nan 0.000 0.479 334 G N 2.724 111.423 108.800 -0.169 0.000 2.187 334 G HA2 -0.330 3.631 3.960 0.002 0.000 0.261 334 G HA3 -0.330 3.631 3.960 0.002 0.000 0.261 334 G C 0.026 174.901 174.900 -0.042 0.000 1.000 334 G CA 0.387 45.423 45.100 -0.106 0.000 0.718 334 G HN 1.079 nan 8.290 nan 0.000 0.519 335 N N 0.108 118.790 118.700 -0.030 0.000 2.327 335 N HA 0.278 5.019 4.740 0.002 0.000 0.257 335 N C 1.454 176.981 175.510 0.029 0.000 1.281 335 N CA 0.083 53.167 53.050 0.056 0.000 0.942 335 N CB 0.137 38.719 38.487 0.159 0.000 1.199 335 N HN 0.550 nan 8.380 nan 0.000 0.532 336 E N -0.584 119.646 120.200 0.050 0.000 2.265 336 E HA -0.190 4.161 4.350 0.002 0.000 0.196 336 E C 0.989 177.603 176.600 0.023 0.000 0.996 336 E CA 0.937 57.358 56.400 0.034 0.000 0.832 336 E CB -0.231 29.494 29.700 0.042 0.000 0.756 336 E HN 0.549 nan 8.360 nan 0.000 0.491 337 R N 0.116 120.633 120.500 0.029 0.000 2.297 337 R HA 0.108 4.449 4.340 0.002 0.000 0.197 337 R C 1.144 177.418 176.300 -0.043 0.000 0.943 337 R CA 0.447 56.555 56.100 0.014 0.000 1.038 337 R CB 0.298 30.633 30.300 0.059 0.000 0.957 337 R HN 0.349 nan 8.270 nan 0.000 0.484 338 G N 1.992 110.752 108.800 -0.066 0.000 2.198 338 G HA2 -0.324 3.637 3.960 0.002 0.000 0.260 338 G HA3 -0.324 3.637 3.960 0.002 0.000 0.260 338 G C -0.489 174.284 174.900 -0.211 0.000 1.025 338 G CA 0.177 45.206 45.100 -0.118 0.000 0.769 338 G HN 0.412 nan 8.290 nan 0.000 0.507 339 N N -0.974 117.559 118.700 -0.278 0.000 2.454 339 N HA 0.401 5.142 4.740 0.002 0.000 0.254 339 N C 0.060 175.238 175.510 -0.555 0.000 1.228 339 N CA 0.424 53.143 53.050 -0.552 0.000 0.900 339 N CB 1.118 39.098 38.487 -0.845 0.000 1.089 339 N HN 0.171 nan 8.380 nan 0.000 0.449 340 V N 0.599 120.168 119.914 -0.574 0.000 2.876 340 V HA 0.638 4.759 4.120 0.002 0.000 0.312 340 V C -0.477 175.474 176.094 -0.239 0.000 1.085 340 V CA -0.644 61.452 62.300 -0.340 0.000 0.945 340 V CB 2.031 33.664 31.823 -0.316 0.000 1.017 340 V HN 0.649 nan 8.190 nan 0.000 0.428 341 S N 1.405 117.171 115.700 0.109 0.000 2.536 341 S HA 0.729 5.200 4.470 0.002 0.000 0.271 341 S C -0.206 174.695 174.600 0.502 0.000 1.134 341 S CA -0.030 58.368 58.200 0.329 0.000 0.897 341 S CB 1.743 65.141 63.200 0.330 0.000 1.094 341 S HN 1.255 nan 8.310 nan 0.000 0.473 342 G N 2.732 111.772 108.800 0.401 0.000 2.432 342 G HA2 0.616 4.577 3.960 0.002 0.000 0.257 342 G HA3 0.616 4.577 3.960 0.002 0.000 0.257 342 G C -0.775 174.258 174.900 0.221 0.000 1.238 342 G CA -0.325 44.854 45.100 0.131 0.000 0.838 342 G HN 0.718 nan 8.290 nan 0.000 0.547 343 I N 0.800 121.512 120.570 0.237 0.000 2.686 343 I HA 0.625 4.796 4.170 0.002 0.000 0.295 343 I C 0.348 176.567 176.117 0.170 0.000 1.114 343 I CA -0.838 60.547 61.300 0.141 0.000 1.038 343 I CB 2.702 40.645 38.000 -0.095 0.000 1.238 343 I HN 0.672 nan 8.210 nan 0.000 0.420 344 G N 4.837 113.699 108.800 0.104 0.000 2.612 344 G HA2 0.682 4.643 3.960 0.002 0.000 0.298 344 G HA3 0.682 4.643 3.960 0.002 0.000 0.298 344 G C -0.595 174.329 174.900 0.039 0.000 1.336 344 G CA -0.870 44.306 45.100 0.127 0.000 0.953 344 G HN 0.735 nan 8.290 nan 0.000 0.482 345 I N -1.146 119.493 120.570 0.115 0.000 2.948 345 I HA 0.150 4.321 4.170 0.002 0.000 0.290 345 I C 0.804 176.850 176.117 -0.119 0.000 1.226 345 I CA 0.101 61.418 61.300 0.029 0.000 1.413 345 I CB 0.108 38.174 38.000 0.110 0.000 1.352 345 I HN 0.825 nan 8.210 nan 0.000 0.597 346 H N 2.544 121.384 119.070 -0.384 0.000 3.237 346 H HA -0.147 4.410 4.556 0.002 0.000 0.231 346 H C 1.014 175.391 175.328 -1.585 0.000 1.148 346 H CA 0.939 56.582 56.048 -0.674 0.000 1.155 346 H CB -1.760 27.825 29.762 -0.295 0.000 1.210 346 H HN 1.466 nan 8.280 nan 0.000 0.317 347 G N 0.627 108.306 108.800 -1.869 0.000 2.215 347 G HA2 -0.199 3.762 3.960 0.002 0.000 0.198 347 G HA3 -0.199 3.762 3.960 0.002 0.000 0.198 347 G C -0.266 174.261 174.900 -0.621 0.000 1.047 347 G CA 0.056 44.117 45.100 -1.733 0.000 0.747 347 G HN 0.310 nan 8.290 nan 0.000 0.495 348 Q N 0.151 119.729 119.800 -0.370 0.000 2.257 348 Q HA 0.629 4.970 4.340 0.002 0.000 0.255 348 Q C -0.161 175.822 176.000 -0.027 0.000 0.920 348 Q CA -0.380 55.337 55.803 -0.144 0.000 0.927 348 Q CB 1.395 30.107 28.738 -0.044 0.000 1.229 348 Q HN 0.474 nan 8.270 nan 0.000 0.433 349 N N 1.307 120.029 118.700 0.036 0.000 2.260 349 N HA 0.419 5.160 4.740 0.002 0.000 0.293 349 N C -1.533 174.087 175.510 0.184 0.000 1.058 349 N CA -0.653 52.490 53.050 0.155 0.000 0.824 349 N CB 1.732 40.349 38.487 0.217 0.000 1.551 349 N HN 0.324 nan 8.380 nan 0.000 0.475 350 L N 2.834 124.201 121.223 0.241 0.000 2.313 350 L HA 0.489 4.830 4.340 0.002 0.000 0.273 350 L C -1.429 175.689 176.870 0.413 0.000 1.028 350 L CA -0.600 54.412 54.840 0.287 0.000 0.871 350 L CB 0.101 42.315 42.059 0.259 0.000 1.242 350 L HN 0.608 nan 8.230 nan 0.000 0.434 351 W N 7.813 129.208 121.300 0.157 0.000 2.391 351 W HA 0.466 5.127 4.660 0.002 0.000 0.311 351 W C -1.801 174.780 176.519 0.104 0.000 1.087 351 W CA -0.924 56.506 57.345 0.143 0.000 1.209 351 W CB 1.407 30.935 29.460 0.114 0.000 1.273 351 W HN 0.352 nan 8.180 nan 0.000 0.482 352 L N 5.810 126.926 121.223 -0.178 0.000 2.282 352 L HA 0.210 4.551 4.340 0.002 0.000 0.288 352 L C -0.399 176.289 176.870 -0.303 0.000 1.033 352 L CA -0.303 54.435 54.840 -0.169 0.000 0.807 352 L CB 1.401 43.330 42.059 -0.218 0.000 1.209 352 L HN 0.348 nan 8.230 nan 0.000 0.423 353 D N 4.346 124.707 120.400 -0.065 0.000 2.456 353 D HA 0.255 4.896 4.640 0.002 0.000 0.287 353 D C -1.512 174.777 176.300 -0.019 0.000 1.186 353 D CA -1.691 52.302 54.000 -0.012 0.000 0.916 353 D CB 1.230 42.136 40.800 0.176 0.000 1.029 353 D HN 0.172 nan 8.370 nan 0.000 0.498 354 P HA -0.185 nan 4.420 nan 0.000 0.217 354 P C 1.791 179.075 177.300 -0.026 0.000 1.148 354 P CA 0.692 63.758 63.100 -0.057 0.000 0.828 354 P CB 0.483 32.128 31.700 -0.091 0.000 0.783 355 L N -0.223 120.992 121.223 -0.014 0.000 2.043 355 L HA -0.148 4.193 4.340 0.002 0.000 0.212 355 L C 2.253 179.132 176.870 0.014 0.000 1.075 355 L CA 2.475 57.317 54.840 0.004 0.000 0.752 355 L CB -1.323 40.747 42.059 0.019 0.000 0.891 355 L HN 0.187 nan 8.230 nan 0.000 0.432 356 T N -5.664 108.906 114.554 0.027 0.000 3.134 356 T HA 0.092 4.443 4.350 0.002 0.000 0.260 356 T C 0.572 175.287 174.700 0.026 0.000 1.027 356 T CA 0.135 62.255 62.100 0.032 0.000 0.913 356 T CB 0.144 69.043 68.868 0.051 0.000 1.046 356 T HN 0.255 nan 8.240 nan 0.000 0.553 357 D N 0.512 120.920 120.400 0.014 0.000 2.772 357 D HA -0.154 4.487 4.640 0.002 0.000 0.233 357 D C -0.693 175.618 176.300 0.018 0.000 1.143 357 D CA 0.570 54.574 54.000 0.007 0.000 0.700 357 D CB -1.459 39.345 40.800 0.005 0.000 1.076 357 D HN 0.547 nan 8.370 nan 0.000 0.430 358 S N -1.196 114.524 115.700 0.034 0.000 2.566 358 S HA 0.796 5.267 4.470 0.002 0.000 0.298 358 S C -0.311 174.334 174.600 0.074 0.000 1.083 358 S CA -0.749 57.483 58.200 0.053 0.000 0.978 358 S CB 2.666 65.908 63.200 0.070 0.000 1.073 358 S HN 0.099 nan 8.310 nan 0.000 0.491 359 V N 2.711 122.670 119.914 0.074 0.000 2.540 359 V HA 0.540 4.661 4.120 0.002 0.000 0.302 359 V C -0.750 175.398 176.094 0.090 0.000 1.035 359 V CA -0.572 61.791 62.300 0.105 0.000 0.873 359 V CB 1.460 33.331 31.823 0.081 0.000 0.992 359 V HN 0.758 nan 8.190 nan 0.000 0.428 360 I N 4.409 125.079 120.570 0.166 0.000 2.389 360 I HA 0.480 4.651 4.170 0.002 0.000 0.288 360 I C -0.633 175.509 176.117 0.041 0.000 0.999 360 I CA -0.817 60.496 61.300 0.021 0.000 1.129 360 I CB 2.017 40.027 38.000 0.017 0.000 1.288 360 I HN 0.260 nan 8.210 nan 0.000 0.444 361 V N 6.669 126.525 119.914 -0.096 0.000 2.398 361 V HA 0.379 4.500 4.120 0.002 0.000 0.286 361 V C -0.089 175.960 176.094 -0.075 0.000 1.026 361 V CA -0.571 61.711 62.300 -0.030 0.000 0.868 361 V CB 1.698 33.516 31.823 -0.008 0.000 0.982 361 V HN 0.628 nan 8.190 nan 0.000 0.443 362 K N 5.534 125.946 120.400 0.019 0.000 2.545 362 K HA 0.668 4.989 4.320 0.002 0.000 0.252 362 K C -1.705 174.851 176.600 -0.075 0.000 0.948 362 K CA -0.570 55.751 56.287 0.057 0.000 0.827 362 K CB 1.339 33.926 32.500 0.144 0.000 1.128 362 K HN 0.606 nan 8.250 nan 0.000 0.429 363 L N 2.948 124.051 121.223 -0.200 0.000 2.333 363 L HA 0.528 4.869 4.340 0.002 0.000 0.280 363 L C -0.619 175.939 176.870 -0.521 0.000 1.004 363 L CA -0.592 53.952 54.840 -0.493 0.000 0.820 363 L CB 2.053 43.637 42.059 -0.792 0.000 1.247 363 L HN 0.653 nan 8.230 nan 0.000 0.416 364 S N 0.259 115.730 115.700 -0.382 0.000 2.732 364 S HA 0.641 5.112 4.470 0.002 0.000 0.293 364 S C -0.585 173.984 174.600 -0.052 0.000 1.159 364 S CA -0.750 57.344 58.200 -0.177 0.000 0.847 364 S CB 2.123 65.180 63.200 -0.240 0.000 1.169 364 S HN 0.585 nan 8.310 nan 0.000 0.501 365 S N 0.160 115.854 115.700 -0.010 0.000 2.359 365 S HA 0.310 4.781 4.470 0.002 0.000 0.148 365 S C -0.889 173.666 174.600 -0.074 0.000 1.610 365 S CA -0.813 57.363 58.200 -0.040 0.000 1.274 365 S CB -0.317 62.884 63.200 0.002 0.000 1.380 365 S HN 0.581 nan 8.310 nan 0.000 0.380 366 W N 2.393 123.487 121.300 -0.343 0.000 2.274 366 W HA 0.236 4.897 4.660 0.002 0.000 0.345 366 W C -1.951 174.240 176.519 -0.547 0.000 1.265 366 W CA -1.800 55.026 57.345 -0.865 0.000 1.293 366 W CB -0.691 28.113 29.460 -1.094 0.000 1.175 366 W HN 0.288 nan 8.180 nan 0.000 0.577 367 P HA -0.122 nan 4.420 nan 0.000 0.221 367 P C -0.070 177.306 177.300 0.127 0.000 1.150 367 P CA 1.647 64.670 63.100 -0.129 0.000 0.800 367 P CB 0.343 31.974 31.700 -0.114 0.000 0.787 368 D N -1.122 119.374 120.400 0.162 0.000 2.185 368 D HA 0.135 4.776 4.640 0.002 0.000 0.247 368 D C -1.650 174.612 176.300 -0.063 0.000 1.027 368 D CA -1.824 52.284 54.000 0.179 0.000 0.861 368 D CB 1.741 42.739 40.800 0.329 0.000 1.202 368 D HN -0.017 nan 8.370 nan 0.000 0.453 369 P HA -0.127 nan 4.420 nan 0.000 0.217 369 P C -0.114 177.268 177.300 0.136 0.000 1.150 369 P CA 1.079 63.802 63.100 -0.628 0.000 0.832 369 P CB 0.390 31.942 31.700 -0.247 0.000 0.787 370 Y N -0.236 120.199 120.300 0.225 0.000 2.442 370 Y HA 0.488 5.039 4.550 0.002 0.000 0.330 370 Y C -1.146 174.976 175.900 0.370 0.000 1.100 370 Y CA -0.568 57.795 58.100 0.438 0.000 1.034 370 Y CB 1.439 40.103 38.460 0.339 0.000 1.285 370 Y HN -0.148 nan 8.280 nan 0.000 0.440 371 T N 1.070 115.357 114.554 -0.444 0.000 2.883 371 T HA 0.344 4.696 4.350 0.002 0.000 0.301 371 T C 0.220 174.434 174.700 -0.810 0.000 1.158 371 T CA -0.751 60.939 62.100 -0.683 0.000 1.007 371 T CB 2.003 70.677 68.868 -0.324 0.000 1.186 371 T HN 0.748 nan 8.240 nan 0.000 0.499 372 E N -0.080 119.809 120.200 -0.519 0.000 2.118 372 E HA -0.241 4.110 4.350 0.002 0.000 0.195 372 E C 1.618 178.105 176.600 -0.189 0.000 0.992 372 E CA 1.687 57.960 56.400 -0.212 0.000 0.804 372 E CB -0.295 29.369 29.700 -0.060 0.000 0.741 372 E HN 0.826 nan 8.360 nan 0.000 0.458 373 H N -0.231 118.604 119.070 -0.392 0.000 2.265 373 H HA -0.187 4.370 4.556 0.002 0.000 0.295 373 H C 1.687 176.712 175.328 -0.505 0.000 1.084 373 H CA 2.243 57.999 56.048 -0.487 0.000 1.261 373 H CB -0.456 28.880 29.762 -0.709 0.000 1.360 373 H HN 0.217 nan 8.280 nan 0.000 0.487 374 W N -0.048 120.861 121.300 -0.653 0.000 2.358 374 W HA -0.179 4.482 4.660 0.002 0.000 0.303 374 W C 2.758 178.759 176.519 -0.864 0.000 1.208 374 W CA 1.016 57.664 57.345 -1.163 0.000 1.274 374 W CB -0.198 27.974 29.460 -2.146 0.000 1.138 374 W HN 0.379 nan 8.180 nan 0.000 0.515 375 H N -0.206 118.722 119.070 -0.236 0.000 2.389 375 H HA -0.075 4.482 4.556 0.002 0.000 0.299 375 H C 2.223 177.543 175.328 -0.013 0.000 1.081 375 H CA 1.653 57.736 56.048 0.058 0.000 1.345 375 H CB -0.250 29.614 29.762 0.170 0.000 1.393 375 H HN 0.209 nan 8.280 nan 0.000 0.520 376 R N 0.912 121.396 120.500 -0.027 0.000 2.073 376 R HA -0.109 4.232 4.340 0.002 0.000 0.234 376 R C 2.381 178.609 176.300 -0.119 0.000 1.134 376 R CA 1.046 57.093 56.100 -0.088 0.000 0.952 376 R CB -0.203 30.010 30.300 -0.144 0.000 0.850 376 R HN 0.207 nan 8.270 nan 0.000 0.433 377 L N 0.283 121.378 121.223 -0.214 0.000 2.027 377 L HA -0.188 4.153 4.340 0.002 0.000 0.206 377 L C 2.818 179.641 176.870 -0.079 0.000 1.074 377 L CA 1.612 56.343 54.840 -0.182 0.000 0.745 377 L CB -0.494 41.409 42.059 -0.260 0.000 0.898 377 L HN 0.332 nan 8.230 nan 0.000 0.433 378 Q N 0.230 120.022 119.800 -0.013 0.000 2.050 378 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 378 Q C 2.041 178.047 176.000 0.010 0.000 0.980 378 Q CA 1.624 57.470 55.803 0.071 0.000 0.840 378 Q CB 0.054 28.952 28.738 0.267 0.000 0.898 378 Q HN 0.372 nan 8.270 nan 0.000 0.424 379 N N -0.444 118.292 118.700 0.061 0.000 2.244 379 N HA -0.092 4.650 4.740 0.002 0.000 0.183 379 N C 1.594 177.083 175.510 -0.034 0.000 1.016 379 N CA 1.226 54.309 53.050 0.055 0.000 0.866 379 N CB -0.456 38.163 38.487 0.219 0.000 0.980 379 N HN 0.439 nan 8.380 nan 0.000 0.430 380 G N 1.255 110.027 108.800 -0.045 0.000 2.422 380 G HA2 -0.158 3.804 3.960 0.002 0.000 0.218 380 G HA3 -0.158 3.804 3.960 0.002 0.000 0.218 380 G C 1.673 176.522 174.900 -0.086 0.000 1.146 380 G CA 0.311 45.375 45.100 -0.061 0.000 0.769 380 G HN 0.258 nan 8.290 nan 0.000 0.547 381 I N 0.253 120.757 120.570 -0.110 0.000 2.202 381 I HA -0.097 4.074 4.170 0.002 0.000 0.242 381 I C 2.677 178.696 176.117 -0.163 0.000 1.091 381 I CA 0.665 61.886 61.300 -0.132 0.000 1.368 381 I CB -0.209 37.703 38.000 -0.146 0.000 1.058 381 I HN 0.121 nan 8.210 nan 0.000 0.410 382 L N 0.124 121.169 121.223 -0.296 0.000 2.093 382 L HA -0.199 4.142 4.340 0.002 0.000 0.208 382 L C 2.494 179.092 176.870 -0.454 0.000 1.085 382 L CA 1.236 55.711 54.840 -0.609 0.000 0.755 382 L CB -0.482 40.774 42.059 -1.338 0.000 0.904 382 L HN 0.255 nan 8.230 nan 0.000 0.435 383 L N -0.676 120.408 121.223 -0.231 0.000 2.072 383 L HA -0.182 4.159 4.340 0.002 0.000 0.205 383 L C 2.217 179.110 176.870 0.038 0.000 1.079 383 L CA 0.937 55.802 54.840 0.042 0.000 0.752 383 L CB -0.542 41.590 42.059 0.121 0.000 0.906 383 L HN 0.222 nan 8.230 nan 0.000 0.436 384 D N -0.279 120.114 120.400 -0.013 0.000 2.117 384 D HA -0.154 4.487 4.640 0.002 0.000 0.197 384 D C 2.325 178.634 176.300 0.015 0.000 0.987 384 D CA 1.114 55.113 54.000 -0.002 0.000 0.829 384 D CB -0.186 40.596 40.800 -0.031 0.000 0.961 384 D HN 0.050 nan 8.370 nan 0.000 0.460 385 V N 0.625 120.544 119.914 0.008 0.000 2.343 385 V HA -0.211 3.910 4.120 0.002 0.000 0.247 385 V C 2.470 178.612 176.094 0.078 0.000 1.051 385 V CA 1.606 63.940 62.300 0.056 0.000 1.036 385 V CB -0.521 31.369 31.823 0.112 0.000 0.654 385 V HN 0.139 nan 8.190 nan 0.000 0.451 386 S N -0.304 115.454 115.700 0.097 0.000 2.359 386 S HA -0.232 4.239 4.470 0.002 0.000 0.224 386 S C 2.094 176.768 174.600 0.124 0.000 1.035 386 S CA 1.661 59.963 58.200 0.171 0.000 1.018 386 S CB -0.349 63.040 63.200 0.316 0.000 0.876 386 S HN 0.530 nan 8.310 nan 0.000 0.448 387 R N 0.994 121.555 120.500 0.102 0.000 2.115 387 R HA 0.054 4.395 4.340 0.002 0.000 0.230 387 R C 2.431 178.766 176.300 0.058 0.000 1.111 387 R CA 1.027 57.173 56.100 0.077 0.000 0.976 387 R CB -0.411 29.928 30.300 0.065 0.000 0.870 387 R HN 0.402 nan 8.270 nan 0.000 0.445 388 A N 0.823 123.675 122.820 0.054 0.000 2.121 388 A HA -0.068 4.253 4.320 0.002 0.000 0.218 388 A C 1.906 179.519 177.584 0.048 0.000 1.154 388 A CA 0.961 53.025 52.037 0.045 0.000 0.679 388 A CB -0.252 18.773 19.000 0.042 0.000 0.795 388 A HN 0.195 nan 8.150 nan 0.000 0.458 389 L N -0.438 120.821 121.223 0.059 0.000 2.558 389 L HA 0.057 4.398 4.340 0.002 0.000 0.225 389 L C -0.172 176.727 176.870 0.047 0.000 1.128 389 L CA -0.341 54.532 54.840 0.055 0.000 0.868 389 L CB -0.273 41.826 42.059 0.066 0.000 1.006 389 L HN 0.155 nan 8.230 nan 0.000 0.454 390 D N 1.522 121.950 120.400 0.048 0.000 2.423 390 D HA 0.183 4.824 4.640 0.002 0.000 0.238 390 D C 0.425 176.743 176.300 0.031 0.000 1.142 390 D CA 0.220 54.243 54.000 0.039 0.000 0.884 390 D CB 1.098 41.922 40.800 0.040 0.000 1.199 390 D HN 0.069 nan 8.370 nan 0.000 0.438 391 A N 1.638 124.474 122.820 0.026 0.000 2.498 391 A HA 0.350 4.671 4.320 0.002 0.000 0.239 391 A C 0.142 177.738 177.584 0.020 0.000 1.068 391 A CA -0.093 51.957 52.037 0.021 0.000 0.766 391 A CB 0.565 19.576 19.000 0.018 0.000 1.003 391 A HN 0.358 nan 8.150 nan 0.000 0.497 392 V N 0.000 119.925 119.914 0.018 0.000 2.409 392 V HA 0.000 4.121 4.120 0.002 0.000 0.244 392 V CA 0.000 62.309 62.300 0.016 0.000 1.235 392 V CB 0.000 31.833 31.823 0.016 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556