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 2epg_1_A DATA FIRST_RESID 2 DATA SEQUENCE FFEKIAPYTY RIPRQGKXRV DAVFFASKEI LKDLEAENYA SLQQLXNVAT DATA SEQUENCE LPGIVEPALA XPDIHWGYGF PIGGVAAFDP EEGGVVSPGG VGFDINCGVR DATA SEQUENCE LLASHLTLED LLPRQKELAD ALYRLVPSXX XXXXRDVRFS KRELKEILKE DATA SEQUENCE GAGWLVKRGY GYPEDVRFIE SQGRLPWANP DKVSERAFER GAPQIGTLGS DATA SEQUENCE GNHFLEVQYV DEVYDEEAAL AFGLFKGQVT VLIHTGSRGL GHQVCQDYVE DATA SEQUENCE RFLKVAPRYG IELVDKQLAA APIKSPEGQD YLQAXAAAAN FAFANRQLIA DATA SEQUENCE HFVREAFEKV GFTPRDHGLR VLYDLAHNNA KFEEHRGRRV LVHRKGATRA DATA SEQUENCE FGPGHPEVPE EYRRVGQPVL VPGDXGRYSY VLAGTEKAXE VSFGSSCHGA DATA SEQUENCE GRXXXXXXXX XXXXXXNLVK ELAERGILVR AAXXXXXXXX XXXXXXXVSL DATA SEQUENCE VVEAVEGAGI GKKVARLRPL IVVKG 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.823 175.800 0.038 0.000 0.967 2 F CA 0.000 57.936 58.000 -0.107 0.000 1.383 2 F CB 0.000 38.979 39.000 -0.034 0.000 1.145 3 F N 0.856 120.582 119.950 -0.373 0.000 2.622 3 F HA 0.740 -1.059 4.527 -10.542 0.000 0.318 3 F C -0.827 174.870 175.800 -0.171 0.000 1.135 3 F CA -1.639 56.209 58.000 -0.254 0.000 1.015 3 F CB 0.881 39.696 39.000 -0.308 0.000 1.275 3 F HN 0.168 nan 8.300 nan 0.000 0.457 4 E N 1.955 122.240 120.200 0.141 0.000 2.232 4 E HA 0.462 -1.514 4.350 -10.543 0.000 0.264 4 E C -1.414 175.294 176.600 0.180 0.000 0.973 4 E CA -1.325 55.135 56.400 0.099 0.000 0.849 4 E CB 2.357 32.069 29.700 0.020 0.000 1.198 4 E HN 0.699 nan 8.360 nan 0.000 0.407 5 K N 2.117 122.612 120.400 0.158 0.000 2.227 5 K HA 0.265 -1.741 4.320 -10.543 0.000 0.280 5 K C -0.085 176.465 176.600 -0.082 0.000 1.041 5 K CA -0.374 55.940 56.287 0.046 0.000 0.905 5 K CB 0.634 33.184 32.500 0.082 0.000 1.068 5 K HN 0.707 nan 8.250 nan 0.000 0.470 6 I N 2.545 123.010 120.570 -0.176 0.000 4.181 6 I HA 0.204 -1.952 4.170 -10.543 0.000 0.331 6 I C 0.171 176.208 176.117 -0.133 0.000 1.312 6 I CA -0.099 61.122 61.300 -0.131 0.000 1.146 6 I CB 0.933 38.857 38.000 -0.126 0.000 1.074 6 I HN 0.665 nan 8.210 nan 0.000 0.402 7 A N 0.262 122.968 122.820 -0.190 0.000 2.566 7 A HA 0.573 -1.432 4.320 -10.543 0.000 0.290 7 A C -2.834 174.649 177.584 -0.169 0.000 1.071 7 A CA -0.895 51.064 52.037 -0.131 0.000 0.658 7 A CB 0.291 19.246 19.000 -0.076 0.000 1.285 7 A HN -0.232 nan 8.150 nan 0.000 0.427 8 P HA 0.294 nan 4.420 nan 0.000 0.264 8 P C -0.631 176.705 177.300 0.059 0.000 1.183 8 P CA 1.108 64.193 63.100 -0.026 0.000 0.763 8 P CB -0.210 31.580 31.700 0.151 0.000 0.807 9 Y N -0.491 119.688 120.300 -0.202 0.000 4.396 9 Y HA -0.255 -2.030 4.550 -10.541 0.000 0.216 9 Y C 0.321 176.032 175.900 -0.316 0.000 1.080 9 Y CA 1.125 59.118 58.100 -0.178 0.000 1.811 9 Y CB -2.814 35.640 38.460 -0.010 0.000 1.591 9 Y HN 0.237 nan 8.280 nan 0.000 0.626 10 T N -0.148 114.081 114.554 -0.542 0.000 2.840 10 T HA 0.640 -1.336 4.350 -10.543 0.000 0.287 10 T C -0.819 173.255 174.700 -1.043 0.000 0.991 10 T CA -0.633 61.096 62.100 -0.618 0.000 0.964 10 T CB 0.939 69.653 68.868 -0.257 0.000 0.954 10 T HN 0.017 nan 8.240 nan 0.000 0.438 11 Y N 1.234 121.077 120.300 -0.761 0.000 2.485 11 Y HA 0.654 -1.122 4.550 -10.543 0.000 0.345 11 Y C 0.408 175.862 175.900 -0.742 0.000 0.998 11 Y CA -1.319 56.266 58.100 -0.858 0.000 1.059 11 Y CB 1.603 39.166 38.460 -1.494 0.000 1.234 11 Y HN 0.392 nan 8.280 nan 0.000 0.461 12 R N 3.209 123.590 120.500 -0.198 0.000 2.562 12 R HA 0.633 -1.353 4.340 -10.543 0.000 0.298 12 R C -1.687 174.664 176.300 0.085 0.000 0.961 12 R CA -0.615 55.436 56.100 -0.081 0.000 0.881 12 R CB 0.931 31.192 30.300 -0.065 0.000 1.159 12 R HN 0.868 nan 8.270 nan 0.000 0.450 13 I N 7.145 127.797 120.570 0.136 0.000 2.337 13 I HA 0.280 -1.875 4.170 -10.543 0.000 0.285 13 I C -1.885 174.316 176.117 0.141 0.000 1.041 13 I CA -2.313 59.121 61.300 0.224 0.000 1.199 13 I CB 1.691 39.863 38.000 0.286 0.000 1.370 13 I HN 0.375 nan 8.210 nan 0.000 0.470 14 P HA -0.017 nan 4.420 nan 0.000 0.269 14 P C -0.251 177.093 177.300 0.073 0.000 1.209 14 P CA -0.351 62.793 63.100 0.074 0.000 0.776 14 P CB 0.674 32.408 31.700 0.057 0.000 0.876 15 R N 2.879 123.408 120.500 0.047 0.000 2.504 15 R HA -0.031 -2.016 4.340 -10.543 0.000 0.291 15 R C 0.371 176.692 176.300 0.035 0.000 0.974 15 R CA 0.808 56.930 56.100 0.036 0.000 1.077 15 R CB 0.005 30.319 30.300 0.023 0.000 0.926 15 R HN 0.622 nan 8.270 nan 0.000 0.407 16 Q N 2.909 122.728 119.800 0.031 0.000 2.391 16 Q HA 0.460 -1.526 4.340 -10.543 0.000 0.279 16 Q C 0.017 176.022 176.000 0.007 0.000 1.028 16 Q CA -0.522 55.294 55.803 0.022 0.000 0.836 16 Q CB 1.704 30.461 28.738 0.033 0.000 1.414 16 Q HN 0.702 nan 8.270 nan 0.000 0.397 17 G N 2.326 111.128 108.800 0.002 0.000 2.561 17 G HA2 -0.304 -2.670 3.960 -10.543 0.000 0.289 17 G HA3 -0.304 -2.670 3.960 -10.543 0.000 0.289 17 G C -0.355 174.543 174.900 -0.004 0.000 1.169 17 G CA 0.387 45.484 45.100 -0.005 0.000 0.980 17 G HN 0.728 nan 8.290 nan 0.000 0.550 21 V N -1.867 118.044 119.914 -0.004 0.000 3.202 21 V HA 0.607 -1.599 4.120 -10.543 0.000 0.306 21 V C -1.093 175.006 176.094 0.007 0.000 1.283 21 V CA -1.186 61.114 62.300 0.000 0.000 1.065 21 V CB 2.161 33.979 31.823 -0.009 0.000 1.079 21 V HN -0.151 nan 8.190 nan 0.000 0.448 22 D N 0.957 121.366 120.400 0.014 0.000 2.360 22 D HA 0.681 -1.004 4.640 -10.543 0.000 0.242 22 D C 0.124 176.439 176.300 0.024 0.000 1.184 22 D CA 0.701 54.714 54.000 0.023 0.000 0.930 22 D CB 1.544 42.352 40.800 0.014 0.000 1.161 22 D HN 1.162 nan 8.370 nan 0.000 0.447 23 A N 0.366 123.212 122.820 0.043 0.000 2.380 23 A HA 0.664 -1.341 4.320 -10.543 0.000 0.315 23 A C -0.969 176.639 177.584 0.041 0.000 1.101 23 A CA -0.583 51.485 52.037 0.051 0.000 0.771 23 A CB 1.466 20.512 19.000 0.077 0.000 1.287 23 A HN 0.285 nan 8.150 nan 0.000 0.436 24 V N 1.863 121.778 119.914 0.001 0.000 2.686 24 V HA 0.675 -1.531 4.120 -10.543 0.000 0.306 24 V C -1.205 174.783 176.094 -0.176 0.000 1.065 24 V CA -0.358 61.849 62.300 -0.155 0.000 0.894 24 V CB 1.426 33.090 31.823 -0.266 0.000 1.004 24 V HN 0.943 nan 8.190 nan 0.000 0.424 25 F N 2.514 122.229 119.950 -0.392 0.000 2.576 25 F HA 0.882 -0.917 4.527 -10.543 0.000 0.313 25 F C -1.431 174.101 175.800 -0.446 0.000 1.078 25 F CA -1.544 56.244 58.000 -0.352 0.000 0.921 25 F CB 1.351 40.270 39.000 -0.135 0.000 1.232 25 F HN 0.271 nan 8.300 nan 0.000 0.459 26 F N 2.038 122.103 119.950 0.192 0.000 2.420 26 F HA 0.859 -0.939 4.527 -10.541 0.000 0.342 26 F C 0.346 176.313 175.800 0.279 0.000 1.113 26 F CA -0.535 57.531 58.000 0.110 0.000 1.059 26 F CB 1.630 40.675 39.000 0.074 0.000 1.128 26 F HN 0.974 nan 8.300 nan 0.000 0.475 27 A N 1.236 124.327 122.820 0.452 0.000 2.564 27 A HA 0.751 -1.255 4.320 -10.543 0.000 0.291 27 A C -1.137 176.730 177.584 0.471 0.000 1.102 27 A CA -0.759 51.565 52.037 0.477 0.000 0.660 27 A CB 1.008 20.325 19.000 0.528 0.000 1.283 27 A HN 0.528 nan 8.150 nan 0.000 0.430 28 S N -0.075 115.845 115.700 0.366 0.000 2.713 28 S HA 0.365 -1.490 4.470 -10.543 0.000 0.283 28 S C 0.849 175.555 174.600 0.176 0.000 1.161 28 S CA -0.702 57.659 58.200 0.268 0.000 0.999 28 S CB 1.199 64.553 63.200 0.256 0.000 1.039 28 S HN 0.589 nan 8.310 nan 0.000 0.548 29 K N 1.351 121.799 120.400 0.080 0.000 2.148 29 K HA -0.010 -2.016 4.320 -10.543 0.000 0.204 29 K C 1.555 178.204 176.600 0.081 0.000 1.050 29 K CA 1.225 57.555 56.287 0.071 0.000 0.942 29 K CB -0.170 32.346 32.500 0.027 0.000 0.724 29 K HN 0.473 nan 8.250 nan 0.000 0.446 30 E N 0.511 120.765 120.200 0.091 0.000 2.112 30 E HA -0.004 -1.979 4.350 -10.543 0.000 0.190 30 E C 2.201 178.857 176.600 0.094 0.000 0.979 30 E CA 0.515 56.965 56.400 0.083 0.000 0.814 30 E CB -0.149 29.600 29.700 0.081 0.000 0.762 30 E HN 0.296 nan 8.360 nan 0.000 0.460 31 I N 0.932 121.577 120.570 0.125 0.000 2.315 31 I HA -0.235 -2.390 4.170 -10.543 0.000 0.248 31 I C 2.411 178.603 176.117 0.126 0.000 1.117 31 I CA 0.716 62.096 61.300 0.132 0.000 1.404 31 I CB -0.226 37.881 38.000 0.179 0.000 1.071 31 I HN 0.037 nan 8.210 nan 0.000 0.419 32 L N 0.662 121.963 121.223 0.131 0.000 2.127 32 L HA -0.253 -2.239 4.340 -10.543 0.000 0.211 32 L C 2.613 179.562 176.870 0.131 0.000 1.089 32 L CA 1.433 56.347 54.840 0.124 0.000 0.757 32 L CB -0.475 41.620 42.059 0.061 0.000 0.899 32 L HN 0.238 nan 8.230 nan 0.000 0.434 33 K N -0.290 120.165 120.400 0.091 0.000 2.148 33 K HA -0.223 -2.229 4.320 -10.543 0.000 0.204 33 K C 1.848 178.466 176.600 0.031 0.000 1.050 33 K CA 1.400 57.723 56.287 0.059 0.000 0.942 33 K CB -0.013 32.516 32.500 0.048 0.000 0.724 33 K HN 0.240 nan 8.250 nan 0.000 0.446 34 D N 0.314 120.741 120.400 0.045 0.000 2.117 34 D HA -0.127 -1.813 4.640 -10.543 0.000 0.198 34 D C 1.846 178.152 176.300 0.011 0.000 0.982 34 D CA 0.815 54.833 54.000 0.030 0.000 0.828 34 D CB 0.239 41.069 40.800 0.049 0.000 0.967 34 D HN 0.078 nan 8.370 nan 0.000 0.464 35 L N 1.420 122.666 121.223 0.039 0.000 2.093 35 L HA -0.080 -2.066 4.340 -10.543 0.000 0.208 35 L C 2.325 179.075 176.870 -0.201 0.000 1.085 35 L CA 1.143 56.005 54.840 0.036 0.000 0.755 35 L CB -1.027 41.120 42.059 0.147 0.000 0.904 35 L HN 0.064 nan 8.230 nan 0.000 0.435 36 E N 0.256 120.298 120.200 -0.264 0.000 2.085 36 E HA -0.205 -2.181 4.350 -10.543 0.000 0.194 36 E C 2.065 178.393 176.600 -0.453 0.000 0.994 36 E CA 1.417 57.397 56.400 -0.701 0.000 0.801 36 E CB 0.106 29.710 29.700 -0.159 0.000 0.743 36 E HN 0.396 nan 8.360 nan 0.000 0.453 37 A N 0.480 123.176 122.820 -0.207 0.000 2.121 37 A HA -0.113 -2.118 4.320 -10.543 0.000 0.218 37 A C 1.855 179.366 177.584 -0.121 0.000 1.154 37 A CA 1.334 53.294 52.037 -0.128 0.000 0.679 37 A CB -0.239 18.724 19.000 -0.062 0.000 0.795 37 A HN 0.134 nan 8.150 nan 0.000 0.458 38 E N -0.604 119.512 120.200 -0.139 0.000 2.465 38 E HA 0.091 -1.885 4.350 -10.543 0.000 0.191 38 E C 0.182 176.732 176.600 -0.084 0.000 1.053 38 E CA 0.108 56.467 56.400 -0.069 0.000 0.869 38 E CB -0.475 29.225 29.700 -0.001 0.000 0.977 38 E HN 0.516 nan 8.360 nan 0.000 0.483 39 N N -1.267 117.311 118.700 -0.203 0.000 2.828 39 N HA -0.289 -1.875 4.740 -10.543 0.000 0.248 39 N C -0.782 174.727 175.510 -0.001 0.000 1.044 39 N CA 1.066 54.029 53.050 -0.144 0.000 0.851 39 N CB -1.578 36.894 38.487 -0.026 0.000 1.136 39 N HN 0.404 nan 8.380 nan 0.000 0.572 40 Y N -4.076 116.282 120.300 0.097 0.000 4.032 40 Y HA -0.320 -2.096 4.550 -10.543 0.000 0.230 40 Y C 1.618 177.557 175.900 0.065 0.000 1.202 40 Y CA 0.276 58.440 58.100 0.107 0.000 1.878 40 Y CB -1.887 36.732 38.460 0.264 0.000 1.586 40 Y HN 0.352 nan 8.280 nan 0.000 0.673 41 A N 0.452 123.377 122.820 0.176 0.000 1.873 41 A HA -0.299 -2.305 4.320 -10.543 0.000 0.218 41 A C 2.211 179.883 177.584 0.147 0.000 1.193 41 A CA 2.545 54.685 52.037 0.170 0.000 0.629 41 A CB -0.975 18.154 19.000 0.215 0.000 0.826 41 A HN 0.847 nan 8.150 nan 0.000 0.447 42 S N 0.002 115.786 115.700 0.140 0.000 2.399 42 S HA -0.089 -1.945 4.470 -10.543 0.000 0.231 42 S C 1.832 176.425 174.600 -0.012 0.000 1.022 42 S CA 1.480 59.715 58.200 0.058 0.000 0.983 42 S CB -0.719 62.532 63.200 0.085 0.000 0.803 42 S HN 0.463 nan 8.310 nan 0.000 0.480 43 L N 0.759 121.980 121.223 -0.003 0.000 2.109 43 L HA -0.066 -2.052 4.340 -10.543 0.000 0.207 43 L C 3.081 179.942 176.870 -0.015 0.000 1.086 43 L CA 1.528 56.332 54.840 -0.059 0.000 0.760 43 L CB -0.668 41.358 42.059 -0.054 0.000 0.910 43 L HN 0.392 nan 8.230 nan 0.000 0.437 44 Q N 0.496 120.299 119.800 0.004 0.000 2.124 44 Q HA -0.236 -2.222 4.340 -10.543 0.000 0.202 44 Q C 2.139 178.101 176.000 -0.064 0.000 0.977 44 Q CA 1.707 57.487 55.803 -0.038 0.000 0.850 44 Q CB -0.107 28.619 28.738 -0.020 0.000 0.901 44 Q HN 0.449 nan 8.270 nan 0.000 0.429 45 Q N -0.454 119.301 119.800 -0.075 0.000 2.084 45 Q HA -0.076 -2.062 4.340 -10.543 0.000 0.202 45 Q C 0.694 176.592 176.000 -0.170 0.000 0.978 45 Q CA 0.526 56.242 55.803 -0.146 0.000 0.844 45 Q CB -0.227 28.392 28.738 -0.199 0.000 0.898 45 Q HN 0.357 nan 8.270 nan 0.000 0.426 49 V N 2.142 121.859 119.914 -0.327 0.000 2.332 49 V HA -0.208 -2.414 4.120 -10.543 0.000 0.248 49 V C 2.373 178.347 176.094 -0.200 0.000 1.055 49 V CA 2.467 64.487 62.300 -0.467 0.000 1.038 49 V CB -0.690 30.771 31.823 -0.604 0.000 0.651 49 V HN 0.492 nan 8.190 nan 0.000 0.450 50 A N 0.371 123.107 122.820 -0.139 0.000 2.225 50 A HA -0.160 -2.166 4.320 -10.543 0.000 0.215 50 A C 2.291 179.849 177.584 -0.043 0.000 1.164 50 A CA 1.876 53.865 52.037 -0.079 0.000 0.710 50 A CB -0.736 18.234 19.000 -0.050 0.000 0.780 50 A HN 0.686 nan 8.150 nan 0.000 0.473 51 T N -2.447 112.080 114.554 -0.044 0.000 3.081 51 T HA 0.327 -1.649 4.350 -10.543 0.000 0.255 51 T C 0.574 175.288 174.700 0.024 0.000 1.113 51 T CA -0.188 61.903 62.100 -0.016 0.000 1.082 51 T CB -0.491 68.359 68.868 -0.030 0.000 0.939 51 T HN 0.244 nan 8.240 nan 0.000 0.506 52 L N 2.245 123.508 121.223 0.066 0.000 2.426 52 L HA 0.339 -1.647 4.340 -10.543 0.000 0.271 52 L C -2.294 174.717 176.870 0.235 0.000 1.169 52 L CA -2.379 52.561 54.840 0.166 0.000 0.836 52 L CB 0.145 42.371 42.059 0.279 0.000 1.112 52 L HN -0.026 nan 8.230 nan 0.000 0.465 53 P HA 0.021 nan 4.420 nan 0.000 0.265 53 P C 0.683 178.140 177.300 0.263 0.000 1.193 53 P CA 0.494 63.688 63.100 0.157 0.000 0.765 53 P CB 0.656 32.408 31.700 0.088 0.000 0.823 54 G N 2.683 111.590 108.800 0.179 0.000 2.166 54 G HA2 -0.309 -2.675 3.960 -10.543 0.000 0.260 54 G HA3 -0.309 -2.675 3.960 -10.543 0.000 0.260 54 G C 0.248 175.225 174.900 0.129 0.000 0.986 54 G CA -0.054 45.157 45.100 0.184 0.000 0.683 54 G HN 0.630 nan 8.290 nan 0.000 0.527 55 I N 0.686 121.246 120.570 -0.018 0.000 2.692 55 I HA 0.400 -1.756 4.170 -10.543 0.000 0.284 55 I C 0.633 176.589 176.117 -0.268 0.000 1.159 55 I CA -0.475 60.513 61.300 -0.521 0.000 1.423 55 I CB 0.804 38.498 38.000 -0.509 0.000 1.380 55 I HN -0.047 nan 8.210 nan 0.000 0.580 56 V N 7.337 127.063 119.914 -0.313 0.000 2.439 56 V HA 0.208 -1.997 4.120 -10.543 0.000 0.282 56 V C 0.181 176.298 176.094 0.038 0.000 1.039 56 V CA -0.614 61.643 62.300 -0.072 0.000 0.913 56 V CB 1.322 33.128 31.823 -0.029 0.000 0.983 56 V HN 0.745 nan 8.190 nan 0.000 0.460 57 E N 7.146 127.397 120.200 0.085 0.000 2.376 57 E HA 0.247 -1.729 4.350 -10.543 0.000 0.266 57 E C -2.314 174.387 176.600 0.167 0.000 1.009 57 E CA -1.043 55.411 56.400 0.090 0.000 0.902 57 E CB 1.002 30.728 29.700 0.043 0.000 0.972 57 E HN 0.513 nan 8.360 nan 0.000 0.439 58 P HA 0.303 nan 4.420 nan 0.000 0.289 58 P C -1.590 175.797 177.300 0.145 0.000 1.302 58 P CA -0.750 62.405 63.100 0.092 0.000 0.923 58 P CB 1.583 33.298 31.700 0.026 0.000 1.238 59 A N 1.523 124.374 122.820 0.052 0.000 2.388 59 A HA 0.546 -1.460 4.320 -10.543 0.000 0.257 59 A C -0.150 177.487 177.584 0.090 0.000 1.095 59 A CA -0.067 51.990 52.037 0.034 0.000 0.791 59 A CB -0.561 18.418 19.000 -0.035 0.000 1.029 59 A HN 0.495 nan 8.150 nan 0.000 0.489 60 L N 0.851 122.157 121.223 0.139 0.000 2.333 60 L HA 0.861 -1.125 4.340 -10.543 0.000 0.263 60 L C 0.353 177.334 176.870 0.186 0.000 1.014 60 L CA -0.283 54.659 54.840 0.170 0.000 0.820 60 L CB 2.238 44.459 42.059 0.270 0.000 1.352 60 L HN 0.904 nan 8.230 nan 0.000 0.421 64 D N 1.214 121.735 120.400 0.201 0.000 2.460 64 D HA 0.086 -1.600 4.640 -10.543 0.000 0.229 64 D C 0.575 177.063 176.300 0.314 0.000 1.170 64 D CA -0.340 53.779 54.000 0.197 0.000 0.827 64 D CB -0.240 40.662 40.800 0.169 0.000 0.973 64 D HN 0.384 nan 8.370 nan 0.000 0.496 65 I N 1.426 122.167 120.570 0.285 0.000 2.752 65 I HA 0.140 -2.016 4.170 -10.543 0.000 0.287 65 I C -0.369 175.971 176.117 0.372 0.000 1.188 65 I CA 0.342 61.816 61.300 0.290 0.000 1.427 65 I CB 0.224 38.319 38.000 0.159 0.000 1.365 65 I HN 0.306 nan 8.210 nan 0.000 0.585 66 H N 2.993 122.135 119.070 0.121 0.000 2.967 66 H HA 0.207 -1.563 4.556 -10.543 0.000 0.318 66 H C -1.520 173.906 175.328 0.163 0.000 1.375 66 H CA -1.163 54.976 56.048 0.151 0.000 1.132 66 H CB 0.102 29.970 29.762 0.178 0.000 1.848 66 H HN 0.705 nan 8.280 nan 0.000 0.524 67 W N 1.800 123.164 121.300 0.107 0.000 2.409 67 W HA 0.365 -1.301 4.660 -10.543 0.000 0.338 67 W C 0.253 176.759 176.519 -0.021 0.000 1.273 67 W CA 2.179 59.549 57.345 0.042 0.000 1.299 67 W CB 0.314 29.820 29.460 0.077 0.000 1.192 67 W HN 0.888 nan 8.180 nan 0.000 0.565 68 G N 3.646 111.897 108.800 -0.914 0.000 2.921 68 G HA2 0.272 -2.094 3.960 -10.543 0.000 0.291 68 G HA3 0.272 -2.094 3.960 -10.543 0.000 0.291 68 G C -2.207 172.054 174.900 -1.065 0.000 1.370 68 G CA -1.094 43.595 45.100 -0.684 0.000 0.847 68 G HN 0.417 nan 8.290 nan 0.000 0.532 69 Y N 1.475 121.495 120.300 -0.466 0.000 2.556 69 Y HA 0.423 -1.353 4.550 -10.543 0.000 0.352 69 Y C 1.308 177.129 175.900 -0.132 0.000 1.006 69 Y CA 1.165 59.117 58.100 -0.246 0.000 1.277 69 Y CB 0.253 38.747 38.460 0.056 0.000 1.136 69 Y HN 1.339 nan 8.280 nan 0.000 0.523 70 G N 4.682 113.196 108.800 -0.476 0.000 5.452 70 G HA2 -0.372 -2.738 3.960 -10.543 0.000 0.310 70 G HA3 -0.372 -2.738 3.960 -10.543 0.000 0.310 70 G C 0.002 174.831 174.900 -0.118 0.000 1.392 70 G CA 0.383 45.330 45.100 -0.253 0.000 0.942 70 G HN 0.483 nan 8.290 nan 0.000 0.776 71 F N 5.097 124.922 119.950 -0.209 0.000 2.382 71 F HA 0.535 -1.264 4.527 -10.543 0.000 0.331 71 F C -1.120 174.554 175.800 -0.211 0.000 1.121 71 F CA -1.757 56.149 58.000 -0.158 0.000 1.183 71 F CB 0.942 39.890 39.000 -0.088 0.000 1.207 71 F HN 0.138 nan 8.300 nan 0.000 0.555 72 P HA 0.228 nan 4.420 nan 0.000 0.276 72 P C -0.387 176.875 177.300 -0.063 0.000 1.244 72 P CA -0.143 62.888 63.100 -0.114 0.000 0.801 72 P CB 1.130 32.783 31.700 -0.078 0.000 1.006 73 I N 0.734 121.194 120.570 -0.183 0.000 2.529 73 I HA 0.255 -1.900 4.170 -10.543 0.000 0.284 73 I C 1.564 177.675 176.117 -0.009 0.000 1.082 73 I CA 0.862 62.055 61.300 -0.179 0.000 1.406 73 I CB -0.115 37.566 38.000 -0.533 0.000 1.405 73 I HN 0.753 nan 8.210 nan 0.000 0.548 74 G N 4.017 112.855 108.800 0.063 0.000 2.159 74 G HA2 -0.157 -2.523 3.960 -10.543 0.000 0.227 74 G HA3 -0.157 -2.523 3.960 -10.543 0.000 0.227 74 G C 0.338 175.322 174.900 0.141 0.000 0.986 74 G CA -0.257 44.934 45.100 0.151 0.000 0.651 74 G HN 1.009 nan 8.290 nan 0.000 0.523 75 G N -0.962 107.909 108.800 0.119 0.000 2.425 75 G HA2 0.684 -1.682 3.960 -10.543 0.000 0.302 75 G HA3 0.684 -1.682 3.960 -10.543 0.000 0.302 75 G C -0.592 174.414 174.900 0.177 0.000 1.159 75 G CA -0.096 45.101 45.100 0.161 0.000 0.865 75 G HN 1.001 nan 8.290 nan 0.000 0.515 76 V N 0.463 120.496 119.914 0.199 0.000 2.577 76 V HA 0.753 -1.452 4.120 -10.543 0.000 0.303 76 V C -0.101 176.099 176.094 0.177 0.000 1.042 76 V CA -0.602 61.812 62.300 0.190 0.000 0.872 76 V CB 1.496 33.448 31.823 0.215 0.000 0.998 76 V HN 1.243 nan 8.190 nan 0.000 0.423 77 A N 3.786 126.701 122.820 0.159 0.000 2.442 77 A HA 0.912 -1.093 4.320 -10.543 0.000 0.284 77 A C -0.356 177.188 177.584 -0.067 0.000 1.058 77 A CA -0.114 51.953 52.037 0.049 0.000 0.738 77 A CB 1.438 20.621 19.000 0.304 0.000 1.242 77 A HN 1.378 nan 8.150 nan 0.000 0.421 78 A N 1.886 124.392 122.820 -0.524 0.000 2.301 78 A HA 0.859 -1.146 4.320 -10.543 0.000 0.312 78 A C -1.020 176.253 177.584 -0.518 0.000 1.182 78 A CA -0.204 51.505 52.037 -0.547 0.000 0.826 78 A CB 0.157 18.410 19.000 -1.246 0.000 1.134 78 A HN 0.758 nan 8.150 nan 0.000 0.501 79 F N 0.927 120.847 119.950 -0.051 0.000 2.529 79 F HA 0.324 -1.475 4.527 -10.543 0.000 0.320 79 F C -0.036 175.789 175.800 0.042 0.000 1.118 79 F CA -0.558 57.454 58.000 0.021 0.000 0.915 79 F CB 2.207 41.259 39.000 0.087 0.000 1.161 79 F HN 0.549 nan 8.300 nan 0.000 0.445 80 D N 5.009 125.527 120.400 0.198 0.000 2.359 80 D HA 0.279 -1.407 4.640 -10.543 0.000 0.230 80 D C -1.927 174.484 176.300 0.184 0.000 1.118 80 D CA -2.352 51.752 54.000 0.174 0.000 0.844 80 D CB 1.943 42.816 40.800 0.122 0.000 1.059 80 D HN 0.139 nan 8.370 nan 0.000 0.493 81 P HA -0.123 nan 4.420 nan 0.000 0.216 81 P C 0.838 178.203 177.300 0.108 0.000 1.150 81 P CA 0.884 64.085 63.100 0.170 0.000 0.837 81 P CB 0.425 32.253 31.700 0.214 0.000 0.786 82 E N -0.681 119.580 120.200 0.103 0.000 2.418 82 E HA -0.123 -2.099 4.350 -10.543 0.000 0.197 82 E C 1.058 177.698 176.600 0.066 0.000 1.026 82 E CA 0.835 57.278 56.400 0.072 0.000 0.862 82 E CB -0.277 29.465 29.700 0.069 0.000 0.799 82 E HN 0.271 nan 8.360 nan 0.000 0.518 83 E N -0.583 119.665 120.200 0.081 0.000 2.499 83 E HA 0.219 -1.757 4.350 -10.543 0.000 0.199 83 E C 0.439 177.084 176.600 0.075 0.000 1.016 83 E CA 0.162 56.606 56.400 0.073 0.000 0.933 83 E CB 0.361 30.109 29.700 0.080 0.000 1.050 83 E HN 0.210 nan 8.360 nan 0.000 0.462 84 G N 0.045 108.886 108.800 0.067 0.000 2.160 84 G HA2 -0.234 -2.600 3.960 -10.543 0.000 0.244 84 G HA3 -0.234 -2.600 3.960 -10.543 0.000 0.244 84 G C 0.619 175.562 174.900 0.072 0.000 1.022 84 G CA -0.006 45.123 45.100 0.049 0.000 0.741 84 G HN 0.527 nan 8.290 nan 0.000 0.508 85 G N -1.196 107.678 108.800 0.124 0.000 2.614 85 G HA2 0.638 -1.728 3.960 -10.543 0.000 0.239 85 G HA3 0.638 -1.728 3.960 -10.543 0.000 0.239 85 G C 0.582 175.516 174.900 0.056 0.000 1.240 85 G CA 0.515 45.739 45.100 0.206 0.000 0.842 85 G HN 1.663 nan 8.290 nan 0.000 0.584 86 V N -1.098 118.760 119.914 -0.093 0.000 3.103 86 V HA 0.827 -1.379 4.120 -10.543 0.000 0.318 86 V C -0.172 175.707 176.094 -0.359 0.000 1.114 86 V CA -1.148 60.992 62.300 -0.267 0.000 1.020 86 V CB 1.595 33.236 31.823 -0.303 0.000 1.085 86 V HN 0.877 nan 8.190 nan 0.000 0.446 87 V N 1.315 121.136 119.914 -0.156 0.000 2.588 87 V HA 0.801 -1.404 4.120 -10.543 0.000 0.304 87 V C -0.374 175.790 176.094 0.117 0.000 1.042 87 V CA 0.345 62.699 62.300 0.090 0.000 0.877 87 V CB 1.873 33.807 31.823 0.184 0.000 0.996 87 V HN 1.373 nan 8.190 nan 0.000 0.425 88 S N 6.732 122.487 115.700 0.092 0.000 2.659 88 S HA 0.623 -1.233 4.470 -10.543 0.000 0.312 88 S C -2.069 172.359 174.600 -0.287 0.000 1.114 88 S CA -1.335 56.790 58.200 -0.125 0.000 1.063 88 S CB 2.106 65.179 63.200 -0.212 0.000 0.996 88 S HN 0.680 nan 8.310 nan 0.000 0.478 89 P HA -0.019 nan 4.420 nan 0.000 0.217 89 P C 1.475 178.547 177.300 -0.380 0.000 1.148 89 P CA 1.177 63.881 63.100 -0.660 0.000 0.828 89 P CB -0.018 31.122 31.700 -0.932 0.000 0.783 90 G N -0.730 107.931 108.800 -0.232 0.000 2.509 90 G HA2 -0.133 -2.499 3.960 -10.543 0.000 0.218 90 G HA3 -0.133 -2.499 3.960 -10.543 0.000 0.218 90 G C 1.568 176.268 174.900 -0.333 0.000 1.124 90 G CA 0.701 45.786 45.100 -0.025 0.000 0.776 90 G HN 0.386 nan 8.290 nan 0.000 0.547 91 G N -0.409 107.873 108.800 -0.863 0.000 2.813 91 G HA2 0.156 -2.209 3.960 -10.543 0.000 0.209 91 G HA3 0.156 -2.209 3.960 -10.543 0.000 0.209 91 G C 1.277 175.928 174.900 -0.414 0.000 1.150 91 G CA 0.859 45.109 45.100 -1.417 0.000 0.785 91 G HN 0.311 nan 8.290 nan 0.000 0.535 92 V N -0.408 119.370 119.914 -0.227 0.000 3.048 92 V HA 0.522 -1.684 4.120 -10.543 0.000 0.241 92 V C 1.316 177.350 176.094 -0.100 0.000 1.129 92 V CA 1.011 63.242 62.300 -0.115 0.000 1.128 92 V CB -0.169 31.615 31.823 -0.064 0.000 0.849 92 V HN 0.751 nan 8.190 nan 0.000 0.475 93 G N -0.786 107.938 108.800 -0.126 0.000 2.629 93 G HA2 -0.141 -2.507 3.960 -10.543 0.000 0.686 93 G HA3 -0.141 -2.507 3.960 -10.543 0.000 0.686 93 G C -0.212 174.609 174.900 -0.131 0.000 1.232 93 G CA -0.217 44.858 45.100 -0.043 0.000 0.803 93 G HN -0.024 nan 8.290 nan 0.000 0.638 94 F N 0.346 120.240 119.950 -0.093 0.000 2.146 94 F HA 0.094 -1.705 4.527 -10.543 0.000 0.298 94 F C 1.966 177.761 175.800 -0.009 0.000 1.096 94 F CA 1.643 59.556 58.000 -0.146 0.000 1.275 94 F CB 0.183 38.996 39.000 -0.311 0.000 1.008 94 F HN 0.452 nan 8.300 nan 0.000 0.480 95 D N 1.232 121.761 120.400 0.214 0.000 2.517 95 D HA 0.109 -1.577 4.640 -10.543 0.000 0.220 95 D C -0.065 176.271 176.300 0.060 0.000 1.158 95 D CA -0.023 54.083 54.000 0.178 0.000 0.992 95 D CB -0.509 40.437 40.800 0.242 0.000 1.058 95 D HN 0.047 nan 8.370 nan 0.000 0.516 96 I N 3.053 123.622 120.570 -0.002 0.000 2.741 96 I HA -0.141 -2.296 4.170 -10.543 0.000 0.288 96 I C 1.316 177.367 176.117 -0.110 0.000 1.192 96 I CA 0.084 61.341 61.300 -0.072 0.000 1.426 96 I CB 0.097 38.037 38.000 -0.100 0.000 1.367 96 I HN 0.397 nan 8.210 nan 0.000 0.563 97 N N 3.856 122.463 118.700 -0.155 0.000 2.725 97 N HA -0.216 -1.801 4.740 -10.543 0.000 0.249 97 N C -0.259 175.126 175.510 -0.208 0.000 1.103 97 N CA 0.462 53.360 53.050 -0.253 0.000 0.707 97 N CB -1.226 36.982 38.487 -0.465 0.000 1.043 97 N HN 0.747 nan 8.380 nan 0.000 0.553 98 C N -0.178 119.075 119.300 -0.078 0.000 2.634 98 C HA 0.653 -1.213 4.460 -10.543 0.000 0.418 98 C C 1.328 176.255 174.990 -0.106 0.000 1.373 98 C CA 0.717 59.727 59.018 -0.014 0.000 1.756 98 C CB -0.494 27.351 27.740 0.174 0.000 2.589 98 C HN 0.645 nan 8.230 nan 0.000 0.602 99 G N 3.844 112.504 108.800 -0.234 0.000 2.731 99 G HA2 0.674 -1.692 3.960 -10.543 0.000 0.309 99 G HA3 0.674 -1.692 3.960 -10.543 0.000 0.309 99 G C -1.730 172.845 174.900 -0.541 0.000 1.273 99 G CA -0.172 44.709 45.100 -0.365 0.000 0.798 99 G HN 0.935 nan 8.290 nan 0.000 0.509 100 V N -0.033 119.635 119.914 -0.409 0.000 2.760 100 V HA 0.744 -1.462 4.120 -10.543 0.000 0.309 100 V C -0.347 175.652 176.094 -0.159 0.000 1.077 100 V CA -0.824 61.268 62.300 -0.348 0.000 0.910 100 V CB 1.873 33.483 31.823 -0.355 0.000 1.008 100 V HN 0.906 nan 8.190 nan 0.000 0.424 101 R N 3.151 123.571 120.500 -0.135 0.000 2.599 101 R HA 0.794 -1.192 4.340 -10.543 0.000 0.295 101 R C -2.019 174.243 176.300 -0.062 0.000 0.963 101 R CA -0.707 55.341 56.100 -0.087 0.000 0.883 101 R CB 1.815 32.060 30.300 -0.092 0.000 1.171 101 R HN 0.607 nan 8.270 nan 0.000 0.450 102 L N 5.751 126.952 121.223 -0.036 0.000 2.325 102 L HA 0.468 -1.517 4.340 -10.543 0.000 0.281 102 L C -1.529 175.312 176.870 -0.048 0.000 1.004 102 L CA -0.452 54.370 54.840 -0.030 0.000 0.823 102 L CB 1.630 43.683 42.059 -0.011 0.000 1.236 102 L HN 0.618 nan 8.230 nan 0.000 0.415 103 L N 4.853 126.035 121.223 -0.069 0.000 2.325 103 L HA 0.833 -1.153 4.340 -10.543 0.000 0.279 103 L C 0.012 176.819 176.870 -0.105 0.000 1.054 103 L CA -0.695 54.082 54.840 -0.105 0.000 0.804 103 L CB 1.615 43.580 42.059 -0.157 0.000 1.200 103 L HN 0.773 nan 8.230 nan 0.000 0.436 104 A N 1.996 124.751 122.820 -0.108 0.000 2.330 104 A HA 0.707 -1.299 4.320 -10.543 0.000 0.313 104 A C -0.205 177.312 177.584 -0.113 0.000 1.124 104 A CA -0.445 51.535 52.037 -0.095 0.000 0.774 104 A CB 1.528 20.497 19.000 -0.053 0.000 1.198 104 A HN 0.726 nan 8.150 nan 0.000 0.465 105 S N 1.098 116.731 115.700 -0.111 0.000 2.766 105 S HA 0.481 -1.374 4.470 -10.543 0.000 0.307 105 S C 0.367 175.010 174.600 0.072 0.000 1.121 105 S CA -0.451 57.686 58.200 -0.106 0.000 0.980 105 S CB 0.611 63.721 63.200 -0.150 0.000 1.159 105 S HN 0.714 nan 8.310 nan 0.000 0.546 106 H N -0.705 118.433 119.070 0.113 0.000 2.548 106 H HA 0.367 -1.416 4.556 -10.564 0.000 0.265 106 H C -0.144 175.315 175.328 0.219 0.000 0.969 106 H CA -0.219 55.943 56.048 0.190 0.000 1.155 106 H CB 0.024 29.859 29.762 0.122 0.000 1.394 106 H HN 0.198 nan 8.280 nan 0.000 0.570 107 L N 1.514 122.882 121.223 0.241 0.000 2.395 107 L HA 0.156 -1.830 4.340 -10.543 0.000 0.269 107 L C 0.846 177.821 176.870 0.175 0.000 1.133 107 L CA -0.445 54.497 54.840 0.171 0.000 0.812 107 L CB 1.132 43.199 42.059 0.014 0.000 1.125 107 L HN 0.163 nan 8.230 nan 0.000 0.452 108 T N -1.530 113.129 114.554 0.175 0.000 2.950 108 T HA 0.309 -1.666 4.350 -10.543 0.000 0.288 108 T C 1.098 175.839 174.700 0.068 0.000 1.035 108 T CA -0.880 61.313 62.100 0.156 0.000 1.028 108 T CB 1.369 70.362 68.868 0.208 0.000 1.109 108 T HN 0.530 nan 8.240 nan 0.000 0.514 109 L N 0.435 121.661 121.223 0.005 0.000 2.021 109 L HA -0.197 -2.183 4.340 -10.543 0.000 0.215 109 L C 2.606 179.455 176.870 -0.035 0.000 1.074 109 L CA 2.073 56.862 54.840 -0.085 0.000 0.760 109 L CB -0.546 41.339 42.059 -0.292 0.000 0.889 109 L HN 0.814 nan 8.230 nan 0.000 0.433 110 E N 0.016 120.213 120.200 -0.006 0.000 2.130 110 E HA -0.239 -2.215 4.350 -10.543 0.000 0.196 110 E C 1.729 178.370 176.600 0.069 0.000 0.998 110 E CA 1.533 57.945 56.400 0.020 0.000 0.806 110 E CB -0.229 29.489 29.700 0.030 0.000 0.738 110 E HN 0.533 nan 8.360 nan 0.000 0.459 111 D N -0.493 119.973 120.400 0.109 0.000 2.224 111 D HA -0.070 -1.755 4.640 -10.543 0.000 0.205 111 D C 1.826 178.288 176.300 0.270 0.000 0.965 111 D CA 0.469 54.587 54.000 0.197 0.000 0.852 111 D CB 0.013 40.953 40.800 0.233 0.000 0.947 111 D HN 0.132 nan 8.370 nan 0.000 0.494 112 L N -0.039 121.277 121.223 0.155 0.000 2.145 112 L HA 0.010 -1.976 4.340 -10.543 0.000 0.201 112 L C 1.947 178.889 176.870 0.121 0.000 1.075 112 L CA 0.557 55.486 54.840 0.148 0.000 0.773 112 L CB -0.276 41.800 42.059 0.027 0.000 0.936 112 L HN -0.137 nan 8.230 nan 0.000 0.451 113 L N 0.957 122.214 121.223 0.057 0.000 2.034 113 L HA -0.209 -2.194 4.340 -10.543 0.000 0.217 113 L C -0.504 176.391 176.870 0.041 0.000 1.077 113 L CA 2.524 57.382 54.840 0.029 0.000 0.769 113 L CB -2.018 40.039 42.059 -0.003 0.000 0.890 113 L HN 0.294 nan 8.230 nan 0.000 0.435 114 P HA -0.152 nan 4.420 nan 0.000 0.228 114 P C 0.659 177.981 177.300 0.036 0.000 1.151 114 P CA 1.308 64.431 63.100 0.038 0.000 0.770 114 P CB -0.037 31.685 31.700 0.035 0.000 0.786 115 R N -0.627 119.915 120.500 0.070 0.000 2.577 115 R HA 0.180 -1.806 4.340 -10.543 0.000 0.344 115 R C 2.065 178.391 176.300 0.044 0.000 1.037 115 R CA -0.197 55.936 56.100 0.056 0.000 1.102 115 R CB -0.121 30.232 30.300 0.089 0.000 1.313 115 R HN 0.175 nan 8.270 nan 0.000 0.561 116 Q N 1.917 121.736 119.800 0.032 0.000 2.112 116 Q HA -0.218 -2.204 4.340 -10.543 0.000 0.206 116 Q C 2.005 178.001 176.000 -0.007 0.000 0.987 116 Q CA 1.644 57.451 55.803 0.007 0.000 0.858 116 Q CB 0.187 28.930 28.738 0.009 0.000 0.905 116 Q HN 0.055 nan 8.270 nan 0.000 0.420 117 K N 0.270 120.668 120.400 -0.003 0.000 2.001 117 K HA -0.176 -2.182 4.320 -10.543 0.000 0.208 117 K C 1.819 178.415 176.600 -0.008 0.000 1.048 117 K CA 1.797 58.080 56.287 -0.008 0.000 0.932 117 K CB -0.011 32.485 32.500 -0.008 0.000 0.715 117 K HN 0.180 nan 8.250 nan 0.000 0.437 118 E N 1.270 121.466 120.200 -0.007 0.000 2.097 118 E HA -0.205 -2.180 4.350 -10.543 0.000 0.196 118 E C 1.838 178.429 176.600 -0.015 0.000 1.000 118 E CA 1.095 57.490 56.400 -0.009 0.000 0.804 118 E CB -0.386 29.306 29.700 -0.013 0.000 0.740 118 E HN 0.184 nan 8.360 nan 0.000 0.454 119 L N 0.370 121.570 121.223 -0.038 0.000 2.027 119 L HA -0.055 -2.040 4.340 -10.543 0.000 0.206 119 L C 2.066 178.903 176.870 -0.056 0.000 1.074 119 L CA 2.078 56.857 54.840 -0.101 0.000 0.745 119 L CB -0.996 40.930 42.059 -0.222 0.000 0.898 119 L HN 0.118 nan 8.230 nan 0.000 0.433 120 A N -0.524 122.280 122.820 -0.026 0.000 1.873 120 A HA -0.268 -2.273 4.320 -10.543 0.000 0.218 120 A C 2.011 179.628 177.584 0.056 0.000 1.193 120 A CA 2.135 54.180 52.037 0.013 0.000 0.629 120 A CB -1.017 17.985 19.000 0.003 0.000 0.826 120 A HN 0.561 nan 8.150 nan 0.000 0.447 121 D N -0.064 120.362 120.400 0.042 0.000 2.117 121 D HA -0.055 -1.740 4.640 -10.543 0.000 0.197 121 D C 2.192 178.546 176.300 0.090 0.000 0.987 121 D CA 1.564 55.611 54.000 0.078 0.000 0.829 121 D CB -0.484 40.342 40.800 0.043 0.000 0.961 121 D HN 0.455 nan 8.370 nan 0.000 0.460 122 A N 0.511 123.357 122.820 0.044 0.000 1.930 122 A HA -0.071 -2.077 4.320 -10.543 0.000 0.217 122 A C 2.381 179.989 177.584 0.040 0.000 1.175 122 A CA 0.707 52.763 52.037 0.032 0.000 0.627 122 A CB -0.654 18.355 19.000 0.015 0.000 0.815 122 A HN 0.181 nan 8.150 nan 0.000 0.443 123 L N -2.195 119.062 121.223 0.057 0.000 2.056 123 L HA -0.169 -2.155 4.340 -10.543 0.000 0.207 123 L C 2.570 179.493 176.870 0.087 0.000 1.078 123 L CA 1.611 56.498 54.840 0.079 0.000 0.749 123 L CB -0.552 41.562 42.059 0.091 0.000 0.901 123 L HN 0.585 nan 8.230 nan 0.000 0.433 124 Y N 0.535 120.843 120.300 0.013 0.000 2.293 124 Y HA -0.221 -1.998 4.550 -10.544 0.000 0.291 124 Y C 2.749 178.646 175.900 -0.005 0.000 1.137 124 Y CA 1.451 59.558 58.100 0.011 0.000 1.202 124 Y CB -0.159 38.305 38.460 0.007 0.000 0.990 124 Y HN 0.000 nan 8.280 nan 0.000 0.537 125 R N -0.392 120.050 120.500 -0.095 0.000 2.080 125 R HA 0.032 -1.954 4.340 -10.543 0.000 0.222 125 R C 1.823 178.008 176.300 -0.192 0.000 1.107 125 R CA 1.141 57.145 56.100 -0.160 0.000 0.980 125 R CB -0.174 30.105 30.300 -0.035 0.000 0.879 125 R HN 0.394 nan 8.270 nan 0.000 0.439 126 L N 0.789 121.927 121.223 -0.142 0.000 2.492 126 L HA 0.139 -1.847 4.340 -10.543 0.000 0.223 126 L C -0.020 176.677 176.870 -0.289 0.000 1.132 126 L CA 0.051 54.764 54.840 -0.212 0.000 0.850 126 L CB 0.773 42.771 42.059 -0.101 0.000 0.966 126 L HN -0.076 nan 8.230 nan 0.000 0.454 127 V N 1.032 120.857 119.914 -0.148 0.000 2.293 127 V HA 0.294 -1.911 4.120 -10.543 0.000 0.275 127 V C -2.028 174.001 176.094 -0.109 0.000 1.021 127 V CA -1.652 60.627 62.300 -0.036 0.000 0.815 127 V CB 0.915 32.793 31.823 0.092 0.000 1.025 127 V HN 0.007 nan 8.190 nan 0.000 0.448 128 P HA 0.021 nan 4.420 nan 0.000 0.269 128 P C 0.009 177.268 177.300 -0.068 0.000 1.185 128 P CA 0.603 63.642 63.100 -0.102 0.000 0.769 128 P CB 0.408 32.092 31.700 -0.027 0.000 0.809 137 D N 1.596 121.942 120.400 -0.089 0.000 2.514 137 D HA 0.398 -1.288 4.640 -10.543 0.000 0.267 137 D C -1.164 175.121 176.300 -0.026 0.000 1.165 137 D CA 0.047 54.020 54.000 -0.045 0.000 0.958 137 D CB 1.015 41.794 40.800 -0.035 0.000 0.992 137 D HN 0.045 nan 8.370 nan 0.000 0.506 138 V N 3.196 123.098 119.914 -0.020 0.000 2.569 138 V HA 0.519 -1.687 4.120 -10.543 0.000 0.301 138 V C -0.106 175.892 176.094 -0.160 0.000 1.044 138 V CA -0.769 61.506 62.300 -0.041 0.000 0.874 138 V CB 2.107 34.012 31.823 0.137 0.000 1.002 138 V HN 0.230 nan 8.190 nan 0.000 0.424 139 R N 3.480 123.790 120.500 -0.317 0.000 2.725 139 R HA 0.778 -1.207 4.340 -10.543 0.000 0.277 139 R C -1.757 174.241 176.300 -0.504 0.000 0.987 139 R CA -0.580 55.348 56.100 -0.287 0.000 0.901 139 R CB 2.578 32.826 30.300 -0.086 0.000 1.207 139 R HN 0.522 nan 8.270 nan 0.000 0.463 140 F N 0.060 120.037 119.950 0.045 0.000 2.538 140 F HA 0.432 -1.367 4.527 -10.544 0.000 0.325 140 F C 0.812 176.640 175.800 0.046 0.000 1.066 140 F CA -0.763 57.264 58.000 0.046 0.000 0.946 140 F CB 1.982 40.962 39.000 -0.033 0.000 1.199 140 F HN 0.501 nan 8.300 nan 0.000 0.473 141 S N 0.788 116.638 115.700 0.250 0.000 2.632 141 S HA 0.230 -1.625 4.470 -10.543 0.000 0.267 141 S C 0.958 175.661 174.600 0.172 0.000 1.276 141 S CA -0.658 57.644 58.200 0.171 0.000 0.998 141 S CB 1.039 64.329 63.200 0.149 0.000 0.953 141 S HN 0.794 nan 8.310 nan 0.000 0.547 142 K N 0.837 121.338 120.400 0.167 0.000 2.147 142 K HA -0.151 -2.157 4.320 -10.543 0.000 0.205 142 K C 2.106 178.817 176.600 0.185 0.000 1.049 142 K CA 1.013 57.447 56.287 0.244 0.000 0.936 142 K CB -0.285 32.292 32.500 0.127 0.000 0.722 142 K HN 0.619 nan 8.250 nan 0.000 0.446 143 R N 1.502 122.064 120.500 0.103 0.000 2.090 143 R HA -0.091 -2.077 4.340 -10.543 0.000 0.228 143 R C 1.754 178.077 176.300 0.038 0.000 1.110 143 R CA 1.416 57.560 56.100 0.073 0.000 0.973 143 R CB 0.066 30.414 30.300 0.079 0.000 0.869 143 R HN 0.393 nan 8.270 nan 0.000 0.440 144 E N 0.591 120.813 120.200 0.035 0.000 2.047 144 E HA -0.191 -2.167 4.350 -10.543 0.000 0.191 144 E C 2.002 178.300 176.600 -0.503 0.000 0.987 144 E CA 1.400 57.704 56.400 -0.160 0.000 0.799 144 E CB -0.185 29.557 29.700 0.070 0.000 0.752 144 E HN 0.349 nan 8.360 nan 0.000 0.449 145 L N -0.026 121.043 121.223 -0.258 0.000 2.362 145 L HA 0.035 -1.951 4.340 -10.543 0.000 0.219 145 L C 2.050 178.779 176.870 -0.236 0.000 1.134 145 L CA 1.385 56.020 54.840 -0.341 0.000 0.807 145 L CB -0.071 41.843 42.059 -0.242 0.000 0.927 145 L HN -0.160 nan 8.230 nan 0.000 0.447 146 K N 0.714 121.087 120.400 -0.045 0.000 2.062 146 K HA -0.070 -2.075 4.320 -10.543 0.000 0.205 146 K C 2.033 178.580 176.600 -0.088 0.000 1.051 146 K CA 1.585 57.908 56.287 0.061 0.000 0.941 146 K CB -0.092 32.469 32.500 0.102 0.000 0.719 146 K HN 0.546 nan 8.250 nan 0.000 0.440 147 E N -0.015 120.062 120.200 -0.205 0.000 2.106 147 E HA -0.137 -2.112 4.350 -10.543 0.000 0.192 147 E C 1.954 178.317 176.600 -0.395 0.000 0.984 147 E CA 1.092 57.355 56.400 -0.229 0.000 0.806 147 E CB -0.086 29.513 29.700 -0.169 0.000 0.750 147 E HN 0.297 nan 8.360 nan 0.000 0.458 148 I N 1.198 121.366 120.570 -0.669 0.000 2.226 148 I HA -0.287 -2.442 4.170 -10.543 0.000 0.245 148 I C 2.256 178.253 176.117 -0.200 0.000 1.100 148 I CA 1.044 62.027 61.300 -0.528 0.000 1.374 148 I CB -0.218 37.407 38.000 -0.625 0.000 1.057 148 I HN 0.146 nan 8.210 nan 0.000 0.413 149 L N 0.277 121.412 121.223 -0.146 0.000 2.191 149 L HA -0.208 -2.194 4.340 -10.543 0.000 0.212 149 L C 2.328 179.188 176.870 -0.018 0.000 1.103 149 L CA 1.431 56.239 54.840 -0.052 0.000 0.769 149 L CB -0.532 41.496 42.059 -0.051 0.000 0.908 149 L HN 0.259 nan 8.230 nan 0.000 0.438 150 K N -0.419 119.967 120.400 -0.023 0.000 2.202 150 K HA -0.076 -2.081 4.320 -10.543 0.000 0.201 150 K C 1.920 178.537 176.600 0.029 0.000 1.051 150 K CA 0.558 56.856 56.287 0.018 0.000 0.977 150 K CB 0.198 32.717 32.500 0.031 0.000 0.792 150 K HN 0.176 nan 8.250 nan 0.000 0.469 151 E N 0.162 120.381 120.200 0.030 0.000 2.340 151 E HA 0.029 -1.946 4.350 -10.543 0.000 0.194 151 E C 0.540 177.170 176.600 0.049 0.000 0.996 151 E CA 0.517 56.959 56.400 0.070 0.000 0.869 151 E CB 0.418 30.228 29.700 0.184 0.000 0.835 151 E HN 0.299 nan 8.360 nan 0.000 0.493 152 G N 0.224 109.043 108.800 0.031 0.000 2.584 152 G HA2 -0.350 -2.715 3.960 -10.543 0.000 0.229 152 G HA3 -0.350 -2.715 3.960 -10.543 0.000 0.229 152 G C 0.809 175.719 174.900 0.018 0.000 1.320 152 G CA 0.106 45.225 45.100 0.031 0.000 0.891 152 G HN 0.448 nan 8.290 nan 0.000 0.573 153 A N -0.681 122.125 122.820 -0.024 0.000 1.978 153 A HA 0.205 -1.800 4.320 -10.543 0.000 0.220 153 A C 2.982 180.559 177.584 -0.012 0.000 1.170 153 A CA 2.946 54.955 52.037 -0.046 0.000 0.636 153 A CB -1.150 17.785 19.000 -0.108 0.000 0.810 153 A HN 2.419 nan 8.150 nan 0.000 0.448 154 G N -1.739 107.049 108.800 -0.021 0.000 2.450 154 G HA2 -0.312 -2.678 3.960 -10.543 0.000 0.220 154 G HA3 -0.312 -2.678 3.960 -10.543 0.000 0.220 154 G C 1.341 176.275 174.900 0.057 0.000 1.130 154 G CA 1.050 46.147 45.100 -0.004 0.000 0.760 154 G HN 0.720 nan 8.290 nan 0.000 0.557 155 W N 0.941 122.197 121.300 -0.074 0.000 2.335 155 W HA -0.046 -1.713 4.660 -10.544 0.000 0.311 155 W C 2.371 178.867 176.519 -0.039 0.000 1.213 155 W CA 1.342 58.652 57.345 -0.058 0.000 1.274 155 W CB -0.193 29.214 29.460 -0.087 0.000 1.148 155 W HN 0.136 nan 8.180 nan 0.000 0.498 156 L N -0.603 120.808 121.223 0.314 0.000 2.056 156 L HA -0.237 -2.223 4.340 -10.543 0.000 0.207 156 L C 2.243 179.198 176.870 0.142 0.000 1.078 156 L CA 1.105 56.092 54.840 0.245 0.000 0.749 156 L CB -1.241 40.863 42.059 0.075 0.000 0.901 156 L HN -0.132 nan 8.230 nan 0.000 0.433 157 V N 0.022 119.965 119.914 0.048 0.000 2.343 157 V HA -0.293 -2.499 4.120 -10.543 0.000 0.247 157 V C 2.332 178.406 176.094 -0.032 0.000 1.051 157 V CA 1.778 64.084 62.300 0.011 0.000 1.036 157 V CB -0.530 31.292 31.823 -0.002 0.000 0.654 157 V HN 0.419 nan 8.190 nan 0.000 0.451 158 K N -0.246 120.105 120.400 -0.082 0.000 2.360 158 K HA -0.106 -2.112 4.320 -10.543 0.000 0.201 158 K C 1.781 178.271 176.600 -0.183 0.000 1.046 158 K CA 0.866 57.071 56.287 -0.136 0.000 0.945 158 K CB -0.081 32.309 32.500 -0.183 0.000 0.750 158 K HN 0.237 nan 8.250 nan 0.000 0.464 159 R N -0.821 119.567 120.500 -0.187 0.000 2.466 159 R HA 0.120 -1.865 4.340 -10.543 0.000 0.279 159 R C 0.606 176.787 176.300 -0.198 0.000 0.976 159 R CA 0.454 56.446 56.100 -0.180 0.000 1.081 159 R CB 0.790 30.984 30.300 -0.177 0.000 1.215 159 R HN 0.318 nan 8.270 nan 0.000 0.546 160 G N -0.710 107.980 108.800 -0.184 0.000 2.176 160 G HA2 -0.316 -2.682 3.960 -10.543 0.000 0.232 160 G HA3 -0.316 -2.682 3.960 -10.543 0.000 0.232 160 G C -0.104 174.529 174.900 -0.444 0.000 0.986 160 G CA -0.275 44.660 45.100 -0.274 0.000 0.643 160 G HN 0.372 nan 8.290 nan 0.000 0.522 161 Y N 1.703 121.840 120.300 -0.272 0.000 2.960 161 Y HA 0.493 -1.283 4.550 -10.544 0.000 0.393 161 Y C 1.374 177.100 175.900 -0.290 0.000 1.118 161 Y CA 0.675 58.412 58.100 -0.605 0.000 1.850 161 Y CB 0.201 38.431 38.460 -0.382 0.000 1.827 161 Y HN 0.769 nan 8.280 nan 0.000 0.463 162 G N -1.216 107.583 108.800 -0.001 0.000 2.341 162 G HA2 0.142 -2.224 3.960 -10.543 0.000 0.293 162 G HA3 0.142 -2.224 3.960 -10.543 0.000 0.293 162 G C -2.071 172.894 174.900 0.108 0.000 1.298 162 G CA -1.137 43.968 45.100 0.008 0.000 0.868 162 G HN -0.143 nan 8.290 nan 0.000 0.540 163 Y N 0.078 120.418 120.300 0.066 0.000 2.376 163 Y HA 0.515 -1.264 4.550 -10.548 0.000 0.325 163 Y C -1.227 174.691 175.900 0.030 0.000 1.199 163 Y CA -2.473 55.656 58.100 0.047 0.000 1.206 163 Y CB 1.223 39.714 38.460 0.050 0.000 1.229 163 Y HN 0.250 nan 8.280 nan 0.000 0.480 164 P HA -0.216 nan 4.420 nan 0.000 0.216 164 P C 0.894 178.245 177.300 0.086 0.000 1.153 164 P CA 2.217 65.370 63.100 0.088 0.000 0.858 164 P CB 0.226 31.957 31.700 0.051 0.000 0.789 165 E N -1.071 119.212 120.200 0.139 0.000 2.478 165 E HA -0.143 -2.119 4.350 -10.543 0.000 0.198 165 E C 1.125 177.853 176.600 0.213 0.000 1.046 165 E CA 0.571 57.068 56.400 0.163 0.000 0.870 165 E CB -0.852 28.993 29.700 0.241 0.000 0.818 165 E HN 0.154 nan 8.360 nan 0.000 0.527 166 D N 1.305 121.815 120.400 0.183 0.000 2.133 166 D HA -0.177 -1.862 4.640 -10.543 0.000 0.195 166 D C 1.984 178.326 176.300 0.071 0.000 0.997 166 D CA 1.411 55.500 54.000 0.149 0.000 0.840 166 D CB -0.249 40.580 40.800 0.048 0.000 0.947 166 D HN 0.149 nan 8.370 nan 0.000 0.452 167 V N 1.319 121.219 119.914 -0.024 0.000 2.469 167 V HA -0.227 -2.433 4.120 -10.543 0.000 0.251 167 V C 2.394 178.363 176.094 -0.208 0.000 1.064 167 V CA 1.383 63.608 62.300 -0.124 0.000 1.066 167 V CB -0.361 31.390 31.823 -0.119 0.000 0.667 167 V HN 0.207 nan 8.190 nan 0.000 0.461 168 R N -0.588 119.744 120.500 -0.280 0.000 2.152 168 R HA -0.097 -2.082 4.340 -10.543 0.000 0.232 168 R C 1.388 177.206 176.300 -0.804 0.000 1.117 168 R CA 1.290 57.031 56.100 -0.599 0.000 0.981 168 R CB -0.348 29.411 30.300 -0.901 0.000 0.870 168 R HN 0.539 nan 8.270 nan 0.000 0.451 169 F N 0.254 120.173 119.950 -0.051 0.000 2.750 169 F HA 0.367 -1.423 4.527 -10.528 0.000 0.297 169 F C 0.464 176.101 175.800 -0.272 0.000 1.138 169 F CA -0.292 57.716 58.000 0.013 0.000 1.346 169 F CB 0.290 39.355 39.000 0.107 0.000 0.965 169 F HN -0.222 nan 8.300 nan 0.000 0.514 170 I N 0.085 120.478 120.570 -0.295 0.000 2.493 170 I HA 0.176 -1.980 4.170 -10.543 0.000 0.298 170 I C 0.356 176.152 176.117 -0.535 0.000 0.998 170 I CA -1.041 59.954 61.300 -0.509 0.000 1.137 170 I CB 1.700 39.395 38.000 -0.507 0.000 1.310 170 I HN 0.031 nan 8.210 nan 0.000 0.445 171 E N 4.064 123.920 120.200 -0.573 0.000 2.452 171 E HA -0.036 -2.012 4.350 -10.543 0.000 0.261 171 E C 0.229 176.640 176.600 -0.315 0.000 0.987 171 E CA 0.407 56.647 56.400 -0.267 0.000 0.926 171 E CB 0.446 30.101 29.700 -0.076 0.000 0.934 171 E HN 0.743 nan 8.360 nan 0.000 0.452 172 S N 3.356 118.951 115.700 -0.176 0.000 3.473 172 S HA -0.257 -2.112 4.470 -10.543 0.000 0.339 172 S C 0.192 174.621 174.600 -0.285 0.000 1.148 172 S CA 1.103 59.198 58.200 -0.176 0.000 0.969 172 S CB -1.175 61.955 63.200 -0.117 0.000 0.936 172 S HN 0.826 nan 8.310 nan 0.000 0.530 173 Q N -2.260 117.347 119.800 -0.322 0.000 2.461 173 Q HA -0.288 -2.273 4.340 -10.543 0.000 0.264 173 Q C 0.903 176.622 176.000 -0.468 0.000 1.085 173 Q CA 1.077 56.679 55.803 -0.335 0.000 1.006 173 Q CB -2.214 26.392 28.738 -0.221 0.000 1.437 173 Q HN 1.747 nan 8.270 nan 0.000 0.514 174 G N 0.575 108.852 108.800 -0.871 0.000 2.198 174 G HA2 -0.347 -2.713 3.960 -10.543 0.000 0.260 174 G HA3 -0.347 -2.713 3.960 -10.543 0.000 0.260 174 G C -0.104 174.426 174.900 -0.617 0.000 1.025 174 G CA 0.705 45.006 45.100 -1.332 0.000 0.769 174 G HN 0.396 nan 8.290 nan 0.000 0.507 175 R N -0.634 119.646 120.500 -0.366 0.000 2.531 175 R HA 0.527 -1.459 4.340 -10.543 0.000 0.293 175 R C -0.880 175.394 176.300 -0.043 0.000 1.124 175 R CA -0.985 55.062 56.100 -0.089 0.000 0.945 175 R CB 0.541 30.780 30.300 -0.101 0.000 1.195 175 R HN 0.068 nan 8.270 nan 0.000 0.433 176 L N 6.838 128.086 121.223 0.043 0.000 2.331 176 L HA 0.365 -1.620 4.340 -10.543 0.000 0.278 176 L C -1.185 175.619 176.870 -0.110 0.000 1.106 176 L CA -1.831 52.992 54.840 -0.029 0.000 0.824 176 L CB 1.293 43.358 42.059 0.010 0.000 1.142 176 L HN 0.568 nan 8.230 nan 0.000 0.443 177 P HA -0.167 nan 4.420 nan 0.000 0.222 177 P C 0.863 178.042 177.300 -0.201 0.000 1.147 177 P CA 1.442 64.281 63.100 -0.435 0.000 0.790 177 P CB 0.065 31.236 31.700 -0.882 0.000 0.780 178 W N 0.183 121.488 121.300 0.007 0.000 3.278 178 W HA 0.433 -1.232 4.660 -10.541 0.000 0.308 178 W C 0.872 177.376 176.519 -0.024 0.000 1.253 178 W CA -0.844 56.494 57.345 -0.011 0.000 1.759 178 W CB 0.100 29.559 29.460 -0.001 0.000 1.093 178 W HN -0.140 nan 8.180 nan 0.000 0.648 179 A N 2.435 125.366 122.820 0.185 0.000 2.587 179 A HA -0.072 -2.078 4.320 -10.543 0.000 0.235 179 A C 0.118 177.756 177.584 0.091 0.000 1.044 179 A CA 0.711 52.803 52.037 0.093 0.000 0.754 179 A CB -0.101 18.930 19.000 0.051 0.000 0.968 179 A HN 0.264 nan 8.150 nan 0.000 0.509 180 N N 2.917 121.649 118.700 0.054 0.000 2.594 180 N HA 0.334 -1.252 4.740 -10.543 0.000 0.280 180 N C -2.628 172.907 175.510 0.041 0.000 1.156 180 N CA -1.793 51.285 53.050 0.048 0.000 0.831 180 N CB 1.838 40.348 38.487 0.039 0.000 1.379 180 N HN 0.089 nan 8.380 nan 0.000 0.536 181 P HA -0.034 nan 4.420 nan 0.000 0.221 181 P C 0.430 177.765 177.300 0.060 0.000 1.145 181 P CA 0.881 64.020 63.100 0.066 0.000 0.795 181 P CB 0.464 32.216 31.700 0.086 0.000 0.775 182 D N -0.340 120.083 120.400 0.040 0.000 2.221 182 D HA -0.131 -1.817 4.640 -10.543 0.000 0.204 182 D C 1.459 177.792 176.300 0.054 0.000 0.982 182 D CA 1.047 55.065 54.000 0.030 0.000 0.857 182 D CB -0.235 40.578 40.800 0.021 0.000 0.934 182 D HN 0.196 nan 8.370 nan 0.000 0.475 183 K N 0.269 120.716 120.400 0.079 0.000 2.444 183 K HA 0.119 -1.887 4.320 -10.543 0.000 0.193 183 K C 0.220 176.931 176.600 0.185 0.000 1.024 183 K CA -0.030 56.342 56.287 0.142 0.000 1.077 183 K CB 0.678 33.256 32.500 0.131 0.000 0.833 183 K HN 0.043 nan 8.250 nan 0.000 0.517 184 V N 3.096 123.083 119.914 0.122 0.000 2.432 184 V HA 0.060 -2.146 4.120 -10.543 0.000 0.275 184 V C 0.702 176.855 176.094 0.098 0.000 1.043 184 V CA -0.749 61.625 62.300 0.123 0.000 0.925 184 V CB 1.207 33.089 31.823 0.098 0.000 0.985 184 V HN 0.262 nan 8.190 nan 0.000 0.466 185 S N 3.368 119.115 115.700 0.078 0.000 2.576 185 S HA 0.118 -1.737 4.470 -10.543 0.000 0.272 185 S C 0.955 175.587 174.600 0.054 0.000 1.352 185 S CA -0.194 58.027 58.200 0.035 0.000 1.021 185 S CB 0.622 63.822 63.200 0.001 0.000 0.887 185 S HN 0.753 nan 8.310 nan 0.000 0.542 186 E N 1.157 121.366 120.200 0.016 0.000 2.085 186 E HA -0.229 -2.205 4.350 -10.543 0.000 0.194 186 E C 2.222 178.860 176.600 0.065 0.000 0.994 186 E CA 1.324 57.730 56.400 0.011 0.000 0.801 186 E CB -0.190 29.493 29.700 -0.029 0.000 0.743 186 E HN 0.763 nan 8.360 nan 0.000 0.453 187 R N 0.843 121.367 120.500 0.040 0.000 2.091 187 R HA -0.164 -2.149 4.340 -10.543 0.000 0.238 187 R C 2.282 178.611 176.300 0.048 0.000 1.136 187 R CA 1.446 57.571 56.100 0.041 0.000 0.959 187 R CB -0.215 30.100 30.300 0.025 0.000 0.856 187 R HN 0.159 nan 8.270 nan 0.000 0.437 188 A N 0.360 123.209 122.820 0.048 0.000 1.898 188 A HA -0.172 -2.177 4.320 -10.543 0.000 0.216 188 A C 1.981 179.548 177.584 -0.028 0.000 1.181 188 A CA 1.207 53.252 52.037 0.014 0.000 0.620 188 A CB -0.788 18.224 19.000 0.019 0.000 0.819 188 A HN 0.516 nan 8.150 nan 0.000 0.442 189 F N 1.047 120.925 119.950 -0.119 0.000 2.069 189 F HA -0.177 -1.975 4.527 -10.542 0.000 0.298 189 F C 2.229 177.938 175.800 -0.152 0.000 1.113 189 F CA 2.329 60.231 58.000 -0.163 0.000 1.214 189 F CB -0.357 38.573 39.000 -0.116 0.000 0.978 189 F HN 0.366 nan 8.300 nan 0.000 0.474 190 E N -0.399 119.968 120.200 0.278 0.000 2.150 190 E HA -0.206 -2.182 4.350 -10.543 0.000 0.193 190 E C 2.297 178.907 176.600 0.016 0.000 0.985 190 E CA 0.803 57.303 56.400 0.168 0.000 0.814 190 E CB -0.252 29.531 29.700 0.137 0.000 0.752 190 E HN 0.382 nan 8.360 nan 0.000 0.466 191 R N 0.311 120.803 120.500 -0.013 0.000 2.115 191 R HA -0.079 -2.064 4.340 -10.543 0.000 0.230 191 R C 2.036 178.293 176.300 -0.072 0.000 1.111 191 R CA 1.488 57.571 56.100 -0.028 0.000 0.976 191 R CB -0.068 30.227 30.300 -0.008 0.000 0.870 191 R HN 0.184 nan 8.270 nan 0.000 0.445 192 G N -0.966 107.716 108.800 -0.195 0.000 2.762 192 G HA2 0.047 -2.319 3.960 -10.543 0.000 0.209 192 G HA3 0.047 -2.319 3.960 -10.543 0.000 0.209 192 G C 1.365 176.082 174.900 -0.304 0.000 1.134 192 G CA 0.353 45.293 45.100 -0.266 0.000 0.781 192 G HN 0.364 nan 8.290 nan 0.000 0.528 193 A N 2.171 124.740 122.820 -0.418 0.000 1.892 193 A HA -0.046 -2.052 4.320 -10.543 0.000 0.218 193 A C 0.761 178.332 177.584 -0.022 0.000 1.188 193 A CA 2.050 53.890 52.037 -0.329 0.000 0.631 193 A CB -1.183 17.598 19.000 -0.365 0.000 0.822 193 A HN 0.390 nan 8.150 nan 0.000 0.447 194 P HA -0.001 nan 4.420 nan 0.000 0.249 194 P C 0.443 177.794 177.300 0.085 0.000 1.229 194 P CA 0.634 63.771 63.100 0.061 0.000 0.788 194 P CB 0.160 31.885 31.700 0.043 0.000 1.072 195 Q N -0.608 119.264 119.800 0.119 0.000 2.356 195 Q HA 0.204 -1.781 4.340 -10.543 0.000 0.205 195 Q C 1.072 177.155 176.000 0.138 0.000 0.901 195 Q CA -0.434 55.445 55.803 0.127 0.000 0.938 195 Q CB 0.390 29.203 28.738 0.125 0.000 1.081 195 Q HN 0.297 nan 8.270 nan 0.000 0.517 196 I N 1.027 121.715 120.570 0.197 0.000 2.752 196 I HA -0.053 -2.209 4.170 -10.543 0.000 0.289 196 I C 0.770 176.898 176.117 0.018 0.000 1.197 196 I CA 1.303 62.598 61.300 -0.009 0.000 1.432 196 I CB 0.283 38.287 38.000 0.006 0.000 1.359 196 I HN 0.515 nan 8.210 nan 0.000 0.571 197 G N 3.559 112.315 108.800 -0.073 0.000 2.132 197 G HA2 -0.223 -2.589 3.960 -10.543 0.000 0.234 197 G HA3 -0.223 -2.589 3.960 -10.543 0.000 0.234 197 G C 0.086 175.067 174.900 0.135 0.000 0.989 197 G CA 0.214 45.355 45.100 0.068 0.000 0.676 197 G HN 1.035 nan 8.290 nan 0.000 0.522 198 T N -2.521 112.051 114.554 0.030 0.000 2.907 198 T HA 0.731 -1.245 4.350 -10.543 0.000 0.292 198 T C 1.307 175.996 174.700 -0.019 0.000 1.043 198 T CA -0.439 61.681 62.100 0.033 0.000 1.003 198 T CB 2.100 70.989 68.868 0.035 0.000 1.084 198 T HN 0.142 nan 8.240 nan 0.000 0.483 199 L N 1.488 122.713 121.223 0.004 0.000 2.095 199 L HA 0.405 -1.580 4.340 -10.543 0.000 0.204 199 L C 1.736 178.594 176.870 -0.020 0.000 1.080 199 L CA 1.209 56.039 54.840 -0.016 0.000 0.759 199 L CB -1.008 41.085 42.059 0.057 0.000 0.914 199 L HN 1.253 nan 8.230 nan 0.000 0.439 200 G N -0.958 107.869 108.800 0.046 0.000 2.660 200 G HA2 -0.180 -2.546 3.960 -10.543 0.000 0.247 200 G HA3 -0.180 -2.546 3.960 -10.543 0.000 0.247 200 G C -0.461 174.539 174.900 0.167 0.000 1.328 200 G CA -0.400 44.758 45.100 0.096 0.000 0.884 200 G HN 0.143 nan 8.290 nan 0.000 0.531 201 S N -0.809 114.995 115.700 0.174 0.000 2.713 201 S HA 0.949 -0.907 4.470 -10.543 0.000 0.296 201 S C 1.241 175.886 174.600 0.076 0.000 1.114 201 S CA 0.927 59.197 58.200 0.116 0.000 0.997 201 S CB 0.854 64.092 63.200 0.063 0.000 1.249 201 S HN 2.803 nan 8.310 nan 0.000 0.534 202 G N 1.659 110.463 108.800 0.006 0.000 2.509 202 G HA2 -0.241 -2.607 3.960 -10.543 0.000 0.259 202 G HA3 -0.241 -2.607 3.960 -10.543 0.000 0.259 202 G C -0.291 174.545 174.900 -0.105 0.000 1.169 202 G CA 0.155 45.213 45.100 -0.070 0.000 0.953 202 G HN 0.602 nan 8.290 nan 0.000 0.563 203 N N 1.673 120.229 118.700 -0.240 0.000 2.410 203 N HA 0.256 -1.330 4.740 -10.543 0.000 0.231 203 N C -0.065 175.299 175.510 -0.244 0.000 1.172 203 N CA 0.247 53.192 53.050 -0.174 0.000 0.849 203 N CB -0.107 38.290 38.487 -0.149 0.000 1.116 203 N HN 0.495 nan 8.380 nan 0.000 0.485 204 H N 0.385 119.461 119.070 0.010 0.000 2.463 204 H HA 0.454 -1.317 4.556 -10.544 0.000 0.332 204 H C 0.093 175.478 175.328 0.095 0.000 1.127 204 H CA -0.437 55.551 56.048 -0.099 0.000 1.238 204 H CB 0.729 30.461 29.762 -0.050 0.000 1.478 204 H HN 0.117 nan 8.280 nan 0.000 0.499 205 F N 0.114 120.133 119.950 0.115 0.000 3.122 205 F HA 0.522 -1.279 4.527 -10.546 0.000 0.325 205 F C -2.150 173.713 175.800 0.105 0.000 1.162 205 F CA -1.290 56.763 58.000 0.089 0.000 0.876 205 F CB 1.538 40.565 39.000 0.044 0.000 1.429 205 F HN 0.391 nan 8.300 nan 0.000 0.484 206 L N 1.459 122.869 121.223 0.312 0.000 2.431 206 L HA 0.776 -1.209 4.340 -10.543 0.000 0.266 206 L C -1.831 175.239 176.870 0.332 0.000 0.978 206 L CA -0.283 54.680 54.840 0.205 0.000 0.822 206 L CB 2.256 44.394 42.059 0.132 0.000 1.310 206 L HN 0.930 nan 8.230 nan 0.000 0.409 207 E N 3.661 124.035 120.200 0.290 0.000 2.331 207 E HA 0.536 -1.440 4.350 -10.543 0.000 0.275 207 E C -1.642 175.052 176.600 0.157 0.000 0.895 207 E CA -1.044 55.490 56.400 0.224 0.000 0.753 207 E CB 2.451 32.285 29.700 0.224 0.000 1.216 207 E HN 0.340 nan 8.360 nan 0.000 0.434 208 V N 2.618 122.611 119.914 0.132 0.000 2.432 208 V HA 0.244 -1.962 4.120 -10.543 0.000 0.275 208 V C -0.173 175.986 176.094 0.109 0.000 1.043 208 V CA -0.156 62.225 62.300 0.136 0.000 0.925 208 V CB 0.627 32.524 31.823 0.124 0.000 0.985 208 V HN 0.720 nan 8.190 nan 0.000 0.466 209 Q N 3.721 123.581 119.800 0.099 0.000 2.882 209 Q HA 0.741 -1.245 4.340 -10.543 0.000 0.315 209 Q C -1.556 174.516 176.000 0.120 0.000 1.004 209 Q CA -0.924 54.919 55.803 0.066 0.000 0.777 209 Q CB 2.559 31.288 28.738 -0.016 0.000 1.506 209 Q HN 0.778 nan 8.270 nan 0.000 0.489 210 Y N -3.074 117.217 120.300 -0.015 0.000 2.524 210 Y HA 0.720 -1.067 4.550 -10.562 0.000 0.347 210 Y C -1.032 174.831 175.900 -0.061 0.000 1.005 210 Y CA -1.594 56.477 58.100 -0.049 0.000 1.025 210 Y CB 0.890 39.331 38.460 -0.032 0.000 1.275 210 Y HN 0.328 nan 8.280 nan 0.000 0.460 211 V N 3.531 123.437 119.914 -0.014 0.000 2.439 211 V HA 0.052 -2.154 4.120 -10.543 0.000 0.271 211 V C 0.249 176.333 176.094 -0.018 0.000 1.040 211 V CA 0.406 62.646 62.300 -0.099 0.000 1.002 211 V CB 0.536 32.280 31.823 -0.131 0.000 1.000 211 V HN 0.981 nan 8.190 nan 0.000 0.477 212 D N 3.048 123.367 120.400 -0.135 0.000 2.407 212 D HA 0.095 -1.591 4.640 -10.543 0.000 0.208 212 D C 0.385 176.633 176.300 -0.087 0.000 1.083 212 D CA 0.060 54.048 54.000 -0.019 0.000 0.844 212 D CB 0.798 41.568 40.800 -0.051 0.000 0.967 212 D HN 0.621 nan 8.370 nan 0.000 0.506 213 E N -0.473 119.602 120.200 -0.208 0.000 2.354 213 E HA 0.449 -1.526 4.350 -10.543 0.000 0.283 213 E C -1.980 174.306 176.600 -0.522 0.000 0.938 213 E CA -0.751 55.432 56.400 -0.361 0.000 0.777 213 E CB 2.578 32.005 29.700 -0.454 0.000 1.222 213 E HN -0.158 nan 8.360 nan 0.000 0.423 214 V N 5.127 124.749 119.914 -0.486 0.000 2.444 214 V HA 0.266 -1.939 4.120 -10.543 0.000 0.294 214 V C -0.501 175.334 176.094 -0.432 0.000 1.022 214 V CA -0.296 61.773 62.300 -0.385 0.000 0.850 214 V CB 1.115 32.852 31.823 -0.144 0.000 0.992 214 V HN 0.784 nan 8.190 nan 0.000 0.426 215 Y N 0.973 121.269 120.300 -0.006 0.000 2.522 215 Y HA 0.279 -1.487 4.550 -10.527 0.000 0.277 215 Y C 1.197 177.082 175.900 -0.025 0.000 1.104 215 Y CA -0.039 58.054 58.100 -0.012 0.000 1.260 215 Y CB 0.796 39.252 38.460 -0.006 0.000 1.151 215 Y HN 0.483 nan 8.280 nan 0.000 0.539 216 D N 0.539 120.995 120.400 0.093 0.000 2.462 216 D HA 0.076 -1.610 4.640 -10.543 0.000 0.245 216 D C 0.175 176.455 176.300 -0.034 0.000 1.122 216 D CA 0.060 54.069 54.000 0.015 0.000 0.864 216 D CB 1.589 42.376 40.800 -0.020 0.000 1.098 216 D HN 0.069 nan 8.370 nan 0.000 0.541 217 E N 2.437 122.622 120.200 -0.025 0.000 2.077 217 E HA -0.196 -2.172 4.350 -10.543 0.000 0.193 217 E C 1.538 178.108 176.600 -0.050 0.000 0.989 217 E CA 1.200 57.583 56.400 -0.029 0.000 0.800 217 E CB 0.161 29.852 29.700 -0.015 0.000 0.746 217 E HN 0.671 nan 8.360 nan 0.000 0.452 218 E N -0.612 119.550 120.200 -0.063 0.000 2.047 218 E HA -0.179 -2.155 4.350 -10.543 0.000 0.191 218 E C 1.901 178.407 176.600 -0.156 0.000 0.987 218 E CA 1.069 57.421 56.400 -0.079 0.000 0.799 218 E CB -0.168 29.493 29.700 -0.065 0.000 0.752 218 E HN 0.266 nan 8.360 nan 0.000 0.449 219 A N 1.187 123.862 122.820 -0.243 0.000 1.930 219 A HA -0.006 -2.012 4.320 -10.543 0.000 0.217 219 A C 2.374 179.606 177.584 -0.586 0.000 1.175 219 A CA 1.576 53.292 52.037 -0.535 0.000 0.627 219 A CB -0.635 18.023 19.000 -0.569 0.000 0.815 219 A HN 0.410 nan 8.150 nan 0.000 0.443 220 A N -0.240 122.417 122.820 -0.271 0.000 1.877 220 A HA -0.052 -2.058 4.320 -10.543 0.000 0.216 220 A C 2.142 179.711 177.584 -0.026 0.000 1.186 220 A CA 1.737 53.709 52.037 -0.109 0.000 0.620 220 A CB -0.674 18.309 19.000 -0.028 0.000 0.822 220 A HN 0.727 nan 8.150 nan 0.000 0.443 221 L N -0.146 121.060 121.223 -0.028 0.000 2.012 221 L HA -0.100 -2.086 4.340 -10.543 0.000 0.210 221 L C 2.659 179.567 176.870 0.062 0.000 1.073 221 L CA 2.403 57.261 54.840 0.030 0.000 0.748 221 L CB -0.760 41.306 42.059 0.011 0.000 0.891 221 L HN 0.336 nan 8.230 nan 0.000 0.431 222 A N -0.988 121.834 122.820 0.003 0.000 1.933 222 A HA -0.187 -2.193 4.320 -10.543 0.000 0.218 222 A C 1.923 179.712 177.584 0.343 0.000 1.175 222 A CA 1.779 53.887 52.037 0.119 0.000 0.628 222 A CB -0.929 18.084 19.000 0.021 0.000 0.814 222 A HN 0.499 nan 8.150 nan 0.000 0.444 223 F N -0.565 119.395 119.950 0.018 0.000 2.811 223 F HA 0.297 -1.510 4.527 -10.556 0.000 0.301 223 F C 1.888 177.713 175.800 0.042 0.000 1.151 223 F CA -0.110 57.833 58.000 -0.095 0.000 1.412 223 F CB -0.991 37.862 39.000 -0.246 0.000 1.113 223 F HN 0.371 nan 8.300 nan 0.000 0.579 224 G N 1.366 110.324 108.800 0.263 0.000 2.225 224 G HA2 -0.284 -2.650 3.960 -10.543 0.000 0.264 224 G HA3 -0.284 -2.650 3.960 -10.543 0.000 0.264 224 G C -0.126 174.908 174.900 0.224 0.000 1.060 224 G CA -0.080 45.155 45.100 0.225 0.000 0.833 224 G HN 0.300 nan 8.290 nan 0.000 0.498 225 L N -0.391 120.950 121.223 0.196 0.000 2.325 225 L HA 0.921 -1.064 4.340 -10.543 0.000 0.278 225 L C 0.300 177.293 176.870 0.205 0.000 1.023 225 L CA -1.365 53.547 54.840 0.120 0.000 0.811 225 L CB 1.501 43.606 42.059 0.078 0.000 1.249 225 L HN 0.345 nan 8.230 nan 0.000 0.431 226 F N -0.105 119.866 119.950 0.034 0.000 2.654 226 F HA 0.501 5.051 4.527 0.038 0.000 0.308 226 F C -0.594 175.220 175.800 0.024 0.000 1.108 226 F CA -1.374 56.638 58.000 0.020 0.000 0.957 226 F CB 1.221 40.237 39.000 0.026 0.000 1.309 226 F HN 0.254 nan 8.300 nan 0.000 0.446 227 K N 1.383 121.886 120.400 0.171 0.000 2.448 227 K HA 0.428 -1.578 4.320 -10.543 0.000 0.278 227 K C 1.095 177.779 176.600 0.140 0.000 1.009 227 K CA 1.340 57.679 56.287 0.087 0.000 0.995 227 K CB 0.299 32.847 32.500 0.080 0.000 0.917 227 K HN 1.398 nan 8.250 nan 0.000 0.481 228 G N 2.137 110.991 108.800 0.091 0.000 2.225 228 G HA2 -0.328 -2.694 3.960 -10.543 0.000 0.254 228 G HA3 -0.328 -2.694 3.960 -10.543 0.000 0.254 228 G C 0.028 174.915 174.900 -0.022 0.000 0.988 228 G CA 0.437 45.594 45.100 0.096 0.000 0.625 228 G HN 0.694 nan 8.290 nan 0.000 0.527 229 Q N 0.777 120.351 119.800 -0.377 0.000 2.337 229 Q HA 0.464 -1.522 4.340 -10.543 0.000 0.270 229 Q C 0.214 176.077 176.000 -0.228 0.000 1.002 229 Q CA -0.276 55.119 55.803 -0.681 0.000 0.888 229 Q CB 0.910 28.681 28.738 -1.612 0.000 1.222 229 Q HN 0.246 nan 8.270 nan 0.000 0.400 230 V N 4.481 124.326 119.914 -0.115 0.000 2.530 230 V HA 0.274 -1.932 4.120 -10.543 0.000 0.282 230 V C 0.420 176.489 176.094 -0.042 0.000 1.048 230 V CA 0.089 62.387 62.300 -0.004 0.000 0.997 230 V CB 0.956 32.807 31.823 0.047 0.000 0.987 230 V HN 1.009 nan 8.190 nan 0.000 0.477 231 T N 2.052 116.603 114.554 -0.006 0.000 2.887 231 T HA 0.810 -1.165 4.350 -10.543 0.000 0.292 231 T C -0.987 173.726 174.700 0.021 0.000 1.087 231 T CA -0.795 61.287 62.100 -0.030 0.000 1.009 231 T CB 2.011 70.853 68.868 -0.044 0.000 1.203 231 T HN 0.280 nan 8.240 nan 0.000 0.518 232 V N 1.748 121.660 119.914 -0.002 0.000 2.525 232 V HA 0.544 -1.661 4.120 -10.543 0.000 0.299 232 V C -0.725 175.381 176.094 0.020 0.000 1.034 232 V CA -0.834 61.490 62.300 0.040 0.000 0.863 232 V CB 1.458 33.300 31.823 0.033 0.000 0.999 232 V HN 0.966 nan 8.190 nan 0.000 0.423 233 L N 6.258 127.516 121.223 0.058 0.000 2.287 233 L HA 0.678 -1.308 4.340 -10.543 0.000 0.287 233 L C -0.887 175.987 176.870 0.007 0.000 1.022 233 L CA -0.326 54.537 54.840 0.038 0.000 0.814 233 L CB 1.147 43.261 42.059 0.092 0.000 1.217 233 L HN 0.581 nan 8.230 nan 0.000 0.420 234 I N 4.785 125.316 120.570 -0.066 0.000 2.339 234 I HA 0.301 -1.855 4.170 -10.543 0.000 0.290 234 I C -0.722 175.277 176.117 -0.198 0.000 0.994 234 I CA -0.531 60.699 61.300 -0.116 0.000 1.191 234 I CB 1.075 39.018 38.000 -0.094 0.000 1.343 234 I HN 0.528 nan 8.210 nan 0.000 0.458 235 H N 5.384 124.191 119.070 -0.438 0.000 2.762 235 H HA 0.600 -1.170 4.556 -10.543 0.000 0.310 235 H C -1.058 174.098 175.328 -0.286 0.000 1.004 235 H CA -0.058 55.715 56.048 -0.459 0.000 1.267 235 H CB 1.513 30.749 29.762 -0.877 0.000 1.437 235 H HN 0.678 nan 8.280 nan 0.000 0.498 236 T N 2.071 116.629 114.554 0.007 0.000 2.686 236 T HA 0.541 -1.435 4.350 -10.543 0.000 0.308 236 T C -0.495 174.026 174.700 -0.298 0.000 1.667 236 T CA 0.125 62.045 62.100 -0.300 0.000 0.987 236 T CB 1.034 69.695 68.868 -0.344 0.000 1.652 236 T HN 0.690 nan 8.240 nan 0.000 0.496 237 G N 0.399 108.953 108.800 -0.410 0.000 3.291 237 G HA2 0.494 -1.872 3.960 -10.543 0.000 0.173 237 G HA3 0.494 -1.872 3.960 -10.543 0.000 0.173 237 G C 0.860 175.652 174.900 -0.180 0.000 1.099 237 G CA 0.374 45.337 45.100 -0.229 0.000 0.794 237 G HN 1.246 nan 8.290 nan 0.000 0.651 238 S N 0.178 115.846 115.700 -0.054 0.000 2.631 238 S HA 0.218 -1.638 4.470 -10.543 0.000 0.217 238 S C 1.325 176.052 174.600 0.210 0.000 0.958 238 S CA 0.483 58.758 58.200 0.126 0.000 0.920 238 S CB -0.133 63.136 63.200 0.114 0.000 0.776 238 S HN 0.636 nan 8.310 nan 0.000 0.517 239 R N 0.572 121.120 120.500 0.080 0.000 3.910 239 R HA -0.196 -2.182 4.340 -10.543 0.000 0.415 239 R C 1.502 177.864 176.300 0.103 0.000 0.241 239 R CA 1.595 57.747 56.100 0.087 0.000 1.327 239 R CB -2.108 28.271 30.300 0.131 0.000 1.012 239 R HN 0.520 nan 8.270 nan 0.000 0.557 240 G N 0.507 109.349 108.800 0.070 0.000 2.448 240 G HA2 -0.052 -2.418 3.960 -10.543 0.000 0.218 240 G HA3 -0.052 -2.418 3.960 -10.543 0.000 0.218 240 G C 1.613 176.542 174.900 0.050 0.000 1.135 240 G CA 0.871 46.002 45.100 0.051 0.000 0.784 240 G HN 0.345 nan 8.290 nan 0.000 0.543 241 L N 0.624 121.824 121.223 -0.037 0.000 2.017 241 L HA 0.063 -1.923 4.340 -10.543 0.000 0.208 241 L C 2.900 179.756 176.870 -0.023 0.000 1.073 241 L CA 1.735 56.498 54.840 -0.128 0.000 0.745 241 L CB -0.438 41.356 42.059 -0.442 0.000 0.894 241 L HN 0.250 nan 8.230 nan 0.000 0.432 242 G N -2.120 106.699 108.800 0.032 0.000 2.408 242 G HA2 -0.342 -2.708 3.960 -10.543 0.000 0.217 242 G HA3 -0.342 -2.708 3.960 -10.543 0.000 0.217 242 G C 1.301 176.250 174.900 0.082 0.000 1.150 242 G CA 0.971 46.094 45.100 0.037 0.000 0.776 242 G HN 0.551 nan 8.290 nan 0.000 0.542 243 H N -0.191 118.924 119.070 0.075 0.000 2.321 243 H HA -0.094 -1.864 4.556 -10.543 0.000 0.300 243 H C 2.633 178.062 175.328 0.167 0.000 1.087 243 H CA 2.151 58.306 56.048 0.179 0.000 1.319 243 H CB 0.055 29.921 29.762 0.174 0.000 1.379 243 H HN 0.340 nan 8.280 nan 0.000 0.501 244 Q N 0.101 120.037 119.800 0.226 0.000 2.084 244 Q HA -0.099 -2.084 4.340 -10.543 0.000 0.202 244 Q C 2.426 178.468 176.000 0.070 0.000 0.978 244 Q CA 1.762 57.650 55.803 0.141 0.000 0.844 244 Q CB -0.551 28.245 28.738 0.096 0.000 0.898 244 Q HN 0.412 nan 8.270 nan 0.000 0.426 245 V N -0.253 119.700 119.914 0.064 0.000 2.392 245 V HA -0.317 -2.522 4.120 -10.543 0.000 0.249 245 V C 2.488 178.652 176.094 0.117 0.000 1.059 245 V CA 1.720 64.095 62.300 0.125 0.000 1.051 245 V CB -0.723 31.154 31.823 0.089 0.000 0.658 245 V HN 0.663 nan 8.190 nan 0.000 0.455 246 C N -0.269 118.970 119.300 -0.102 0.000 2.453 246 C HA -0.170 -2.036 4.460 -10.543 0.000 0.277 246 C C 2.907 177.664 174.990 -0.388 0.000 1.262 246 C CA 1.735 60.494 59.018 -0.432 0.000 1.718 246 C CB -0.607 26.467 27.740 -1.111 0.000 2.031 246 C HN 0.663 nan 8.230 nan 0.000 0.480 247 Q N 1.052 120.777 119.800 -0.126 0.000 2.050 247 Q HA -0.160 -2.146 4.340 -10.543 0.000 0.202 247 Q C 1.697 177.673 176.000 -0.039 0.000 0.980 247 Q CA 2.564 58.405 55.803 0.063 0.000 0.840 247 Q CB -0.544 28.284 28.738 0.151 0.000 0.898 247 Q HN 0.640 nan 8.270 nan 0.000 0.424 248 D N -0.932 119.428 120.400 -0.067 0.000 2.123 248 D HA -0.183 -1.869 4.640 -10.543 0.000 0.196 248 D C 1.585 177.679 176.300 -0.344 0.000 0.992 248 D CA 1.411 55.298 54.000 -0.188 0.000 0.833 248 D CB -0.305 40.357 40.800 -0.230 0.000 0.954 248 D HN 0.420 nan 8.370 nan 0.000 0.455 249 Y N 0.152 120.321 120.300 -0.218 0.000 2.420 249 Y HA -0.025 -1.801 4.550 -10.543 0.000 0.292 249 Y C 2.421 177.950 175.900 -0.618 0.000 1.119 249 Y CA 0.083 57.911 58.100 -0.453 0.000 1.229 249 Y CB -0.154 37.913 38.460 -0.655 0.000 1.026 249 Y HN -0.194 nan 8.280 nan 0.000 0.554 250 V N 1.109 120.823 119.914 -0.333 0.000 2.255 250 V HA -0.326 -2.532 4.120 -10.543 0.000 0.247 250 V C 2.146 178.231 176.094 -0.015 0.000 1.051 250 V CA 2.470 64.658 62.300 -0.187 0.000 1.018 250 V CB -0.700 31.105 31.823 -0.030 0.000 0.641 250 V HN 0.544 nan 8.190 nan 0.000 0.445 251 E N 0.639 120.832 120.200 -0.012 0.000 2.150 251 E HA -0.287 -2.263 4.350 -10.543 0.000 0.193 251 E C 2.310 178.940 176.600 0.049 0.000 0.985 251 E CA 1.422 57.840 56.400 0.030 0.000 0.814 251 E CB -0.425 29.282 29.700 0.012 0.000 0.752 251 E HN 0.541 nan 8.360 nan 0.000 0.466 252 R N -0.035 120.475 120.500 0.017 0.000 2.092 252 R HA -0.095 -2.081 4.340 -10.543 0.000 0.231 252 R C 1.820 178.305 176.300 0.309 0.000 1.119 252 R CA 1.153 57.312 56.100 0.098 0.000 0.970 252 R CB -0.131 30.174 30.300 0.009 0.000 0.864 252 R HN 0.113 nan 8.270 nan 0.000 0.440 253 F N 0.816 120.795 119.950 0.048 0.000 2.325 253 F HA -0.031 -1.830 4.527 -10.543 0.000 0.299 253 F C 1.930 177.762 175.800 0.054 0.000 1.090 253 F CA 0.648 58.687 58.000 0.065 0.000 1.392 253 F CB -0.416 38.598 39.000 0.023 0.000 1.053 253 F HN 0.020 nan 8.300 nan 0.000 0.521 254 L N -0.532 120.831 121.223 0.233 0.000 2.072 254 L HA -0.136 -2.122 4.340 -10.543 0.000 0.205 254 L C 1.915 178.841 176.870 0.093 0.000 1.079 254 L CA 1.172 56.095 54.840 0.139 0.000 0.752 254 L CB -0.447 41.679 42.059 0.110 0.000 0.906 254 L HN -0.100 nan 8.230 nan 0.000 0.436 255 K N -0.440 120.013 120.400 0.088 0.000 2.665 255 K HA 0.056 -1.950 4.320 -10.543 0.000 0.214 255 K C 0.628 177.247 176.600 0.031 0.000 1.032 255 K CA 0.026 56.342 56.287 0.049 0.000 1.198 255 K CB 0.384 32.907 32.500 0.040 0.000 0.941 255 K HN 0.055 nan 8.250 nan 0.000 0.491 256 V N -1.498 118.436 119.914 0.033 0.000 3.623 256 V HA 0.163 -2.043 4.120 -10.543 0.000 0.283 256 V C 0.973 177.014 176.094 -0.088 0.000 1.643 256 V CA 0.639 62.917 62.300 -0.036 0.000 1.121 256 V CB 0.673 32.514 31.823 0.031 0.000 0.933 256 V HN 0.276 nan 8.190 nan 0.000 0.420 257 A N 1.165 123.987 122.820 0.004 0.000 2.070 257 A HA 0.016 -1.990 4.320 -10.543 0.000 0.220 257 A C -0.019 177.545 177.584 -0.033 0.000 1.159 257 A CA 2.030 54.084 52.037 0.029 0.000 0.656 257 A CB -1.280 17.752 19.000 0.054 0.000 0.800 257 A HN 0.600 nan 8.150 nan 0.000 0.453 258 P HA -0.137 nan 4.420 nan 0.000 0.213 258 P C 1.380 178.589 177.300 -0.152 0.000 1.170 258 P CA 1.101 64.149 63.100 -0.086 0.000 0.889 258 P CB -0.158 31.495 31.700 -0.078 0.000 0.782 259 R N -1.024 119.301 120.500 -0.292 0.000 2.140 259 R HA -0.212 -2.198 4.340 -10.543 0.000 0.250 259 R C 2.252 178.316 176.300 -0.394 0.000 1.150 259 R CA 1.873 57.713 56.100 -0.433 0.000 0.966 259 R CB -1.246 28.600 30.300 -0.758 0.000 0.869 259 R HN 0.383 nan 8.270 nan 0.000 0.445 260 Y N -0.692 119.586 120.300 -0.037 0.000 2.523 260 Y HA 0.170 -1.606 4.550 -10.543 0.000 0.279 260 Y C 1.625 177.507 175.900 -0.029 0.000 1.139 260 Y CA 0.007 58.082 58.100 -0.041 0.000 1.296 260 Y CB 0.461 38.880 38.460 -0.069 0.000 1.045 260 Y HN 0.297 nan 8.280 nan 0.000 0.538 261 G N 1.738 110.579 108.800 0.069 0.000 2.221 261 G HA2 -0.316 -2.682 3.960 -10.543 0.000 0.265 261 G HA3 -0.316 -2.682 3.960 -10.543 0.000 0.265 261 G C -0.145 174.787 174.900 0.054 0.000 1.041 261 G CA 0.023 45.150 45.100 0.046 0.000 0.807 261 G HN 0.388 nan 8.290 nan 0.000 0.502 262 I N 0.803 121.412 120.570 0.065 0.000 2.301 262 I HA 0.221 -1.935 4.170 -10.543 0.000 0.292 262 I C 0.799 176.934 176.117 0.030 0.000 1.046 262 I CA -0.362 60.965 61.300 0.046 0.000 1.282 262 I CB 1.114 39.139 38.000 0.042 0.000 1.409 262 I HN 0.292 nan 8.210 nan 0.000 0.484 263 E N 7.927 128.140 120.200 0.022 0.000 2.223 263 E HA 0.304 -1.672 4.350 -10.543 0.000 0.282 263 E C -1.218 175.387 176.600 0.007 0.000 1.046 263 E CA -0.492 55.916 56.400 0.013 0.000 0.857 263 E CB 0.734 30.439 29.700 0.010 0.000 1.055 263 E HN 0.538 nan 8.360 nan 0.000 0.409 264 L N 5.987 127.213 121.223 0.004 0.000 2.294 264 L HA 0.208 -1.778 4.340 -10.543 0.000 0.283 264 L C 1.227 178.088 176.870 -0.015 0.000 1.015 264 L CA -0.746 54.091 54.840 -0.006 0.000 0.831 264 L CB 1.423 43.484 42.059 0.004 0.000 1.217 264 L HN 0.587 nan 8.230 nan 0.000 0.420 265 V N -1.741 118.156 119.914 -0.028 0.000 2.913 265 V HA -0.008 -2.214 4.120 -10.543 0.000 0.260 265 V C 0.301 176.375 176.094 -0.034 0.000 1.098 265 V CA 1.166 63.447 62.300 -0.030 0.000 1.121 265 V CB -0.325 31.474 31.823 -0.040 0.000 0.714 265 V HN 0.838 nan 8.190 nan 0.000 0.487 266 D N -0.235 120.137 120.400 -0.047 0.000 2.788 266 D HA 0.285 -1.401 4.640 -10.543 0.000 0.247 266 D C 0.897 177.162 176.300 -0.059 0.000 1.236 266 D CA -0.448 53.518 54.000 -0.057 0.000 0.898 266 D CB 2.092 42.838 40.800 -0.091 0.000 1.401 266 D HN 0.317 nan 8.370 nan 0.000 0.549 267 K N 2.190 122.566 120.400 -0.041 0.000 2.281 267 K HA -0.165 -2.171 4.320 -10.543 0.000 0.203 267 K C 1.170 177.733 176.600 -0.063 0.000 1.046 267 K CA 1.280 57.554 56.287 -0.022 0.000 0.938 267 K CB -0.077 32.429 32.500 0.010 0.000 0.737 267 K HN 0.406 nan 8.250 nan 0.000 0.458 268 Q N 0.219 119.899 119.800 -0.200 0.000 2.488 268 Q HA -0.005 -1.990 4.340 -10.543 0.000 0.211 268 Q C 0.970 176.803 176.000 -0.279 0.000 0.967 268 Q CA 0.386 55.879 55.803 -0.516 0.000 0.926 268 Q CB 0.024 28.171 28.738 -0.985 0.000 0.992 268 Q HN 0.213 nan 8.270 nan 0.000 0.506 269 L N 0.542 121.705 121.223 -0.100 0.000 2.612 269 L HA 0.210 -1.776 4.340 -10.543 0.000 0.230 269 L C 0.259 177.181 176.870 0.087 0.000 1.140 269 L CA -0.125 54.736 54.840 0.036 0.000 0.896 269 L CB -0.547 41.492 42.059 -0.033 0.000 1.065 269 L HN -0.021 nan 8.230 nan 0.000 0.447 270 A N 0.493 123.358 122.820 0.076 0.000 2.581 270 A HA 0.346 -1.660 4.320 -10.543 0.000 0.257 270 A C 0.608 178.306 177.584 0.190 0.000 1.022 270 A CA 1.052 53.168 52.037 0.132 0.000 0.812 270 A CB -0.610 18.486 19.000 0.160 0.000 0.918 270 A HN 0.457 nan 8.150 nan 0.000 0.516 271 A N 2.015 124.932 122.820 0.161 0.000 2.569 271 A HA 0.977 -1.028 4.320 -10.543 0.000 0.290 271 A C -0.195 177.296 177.584 -0.156 0.000 1.136 271 A CA -0.057 52.043 52.037 0.106 0.000 0.710 271 A CB 1.355 20.332 19.000 -0.038 0.000 1.303 271 A HN 2.551 nan 8.150 nan 0.000 0.413 272 A N 0.290 122.847 122.820 -0.438 0.000 2.539 272 A HA 0.884 -1.122 4.320 -10.543 0.000 0.296 272 A C -3.160 174.142 177.584 -0.470 0.000 1.073 272 A CA -1.759 49.876 52.037 -0.669 0.000 0.700 272 A CB 1.200 19.340 19.000 -1.434 0.000 1.296 272 A HN 0.457 nan 8.150 nan 0.000 0.405 273 P HA 0.171 nan 4.420 nan 0.000 0.265 273 P C 0.755 177.903 177.300 -0.253 0.000 1.193 273 P CA 0.070 62.953 63.100 -0.362 0.000 0.765 273 P CB 0.354 31.768 31.700 -0.477 0.000 0.823 274 I N 2.618 123.124 120.570 -0.105 0.000 2.248 274 I HA -0.278 -2.434 4.170 -10.543 0.000 0.248 274 I C 1.747 177.857 176.117 -0.012 0.000 1.107 274 I CA 1.767 63.072 61.300 0.008 0.000 1.373 274 I CB -0.339 37.735 38.000 0.123 0.000 1.055 274 I HN 0.407 nan 8.210 nan 0.000 0.418 275 K N 0.536 120.901 120.400 -0.058 0.000 2.487 275 K HA 0.047 -1.958 4.320 -10.543 0.000 0.192 275 K C 0.759 177.292 176.600 -0.113 0.000 1.027 275 K CA 0.024 56.270 56.287 -0.070 0.000 1.054 275 K CB 0.041 32.511 32.500 -0.051 0.000 0.824 275 K HN 0.367 nan 8.250 nan 0.000 0.510 276 S N 0.089 115.674 115.700 -0.193 0.000 2.632 276 S HA 0.215 -1.641 4.470 -10.543 0.000 0.271 276 S C -2.060 172.486 174.600 -0.089 0.000 1.260 276 S CA -1.385 56.686 58.200 -0.216 0.000 1.010 276 S CB 1.497 64.366 63.200 -0.552 0.000 0.965 276 S HN -0.236 nan 8.310 nan 0.000 0.534 277 P HA -0.100 nan 4.420 nan 0.000 0.215 277 P C 1.026 178.382 177.300 0.094 0.000 1.157 277 P CA 1.368 64.495 63.100 0.045 0.000 0.874 277 P CB -0.005 31.741 31.700 0.077 0.000 0.790 278 E N -0.864 119.406 120.200 0.115 0.000 2.110 278 E HA -0.095 -2.070 4.350 -10.543 0.000 0.193 278 E C 2.254 179.012 176.600 0.265 0.000 0.988 278 E CA 1.525 58.073 56.400 0.246 0.000 0.804 278 E CB -1.387 28.420 29.700 0.179 0.000 0.745 278 E HN 0.222 nan 8.360 nan 0.000 0.458 279 G N 0.669 109.456 108.800 -0.021 0.000 2.433 279 G HA2 -0.279 -2.645 3.960 -10.543 0.000 0.216 279 G HA3 -0.279 -2.645 3.960 -10.543 0.000 0.216 279 G C 1.479 176.463 174.900 0.139 0.000 1.186 279 G CA 0.436 45.565 45.100 0.047 0.000 0.779 279 G HN 0.094 nan 8.290 nan 0.000 0.543 280 Q N 0.593 120.424 119.800 0.051 0.000 2.096 280 Q HA -0.115 -2.101 4.340 -10.543 0.000 0.204 280 Q C 2.241 178.249 176.000 0.014 0.000 0.982 280 Q CA 1.502 57.312 55.803 0.013 0.000 0.850 280 Q CB -0.358 28.356 28.738 -0.040 0.000 0.901 280 Q HN 0.393 nan 8.270 nan 0.000 0.422 281 D N -0.425 120.023 120.400 0.079 0.000 2.117 281 D HA -0.148 -1.834 4.640 -10.543 0.000 0.198 281 D C 1.751 177.939 176.300 -0.187 0.000 0.982 281 D CA 0.851 54.897 54.000 0.077 0.000 0.828 281 D CB -0.428 40.552 40.800 0.301 0.000 0.967 281 D HN 0.274 nan 8.370 nan 0.000 0.464 282 Y N 1.365 121.371 120.300 -0.491 0.000 2.181 282 Y HA -0.133 -1.909 4.550 -10.543 0.000 0.288 282 Y C 2.079 177.707 175.900 -0.454 0.000 1.146 282 Y CA 1.219 58.694 58.100 -1.040 0.000 1.164 282 Y CB -0.518 37.520 38.460 -0.704 0.000 0.982 282 Y HN -0.076 nan 8.280 nan 0.000 0.515 283 L N -0.066 120.936 121.223 -0.369 0.000 2.046 283 L HA -0.275 -2.261 4.340 -10.543 0.000 0.208 283 L C 2.538 179.278 176.870 -0.216 0.000 1.077 283 L CA 1.793 56.453 54.840 -0.300 0.000 0.747 283 L CB -0.534 41.550 42.059 0.041 0.000 0.896 283 L HN 0.297 nan 8.230 nan 0.000 0.432 284 Q N -0.325 119.392 119.800 -0.139 0.000 2.119 284 Q HA -0.020 -2.006 4.340 -10.543 0.000 0.201 284 Q C 1.154 177.090 176.000 -0.108 0.000 0.972 284 Q CA 0.849 56.622 55.803 -0.049 0.000 0.847 284 Q CB -0.082 28.645 28.738 -0.018 0.000 0.903 284 Q HN 0.539 nan 8.270 nan 0.000 0.433 288 A N 0.641 123.428 122.820 -0.056 0.000 1.898 288 A HA 0.318 -1.688 4.320 -10.543 0.000 0.216 288 A C 2.362 179.925 177.584 -0.034 0.000 1.181 288 A CA 2.443 54.462 52.037 -0.030 0.000 0.620 288 A CB -0.941 18.044 19.000 -0.026 0.000 0.819 288 A HN 1.597 nan 8.150 nan 0.000 0.442 289 A N -0.078 122.699 122.820 -0.071 0.000 1.902 289 A HA 0.167 -1.839 4.320 -10.543 0.000 0.217 289 A C 2.505 180.063 177.584 -0.043 0.000 1.181 289 A CA 2.059 54.067 52.037 -0.049 0.000 0.623 289 A CB -1.017 17.933 19.000 -0.083 0.000 0.818 289 A HN 1.042 nan 8.150 nan 0.000 0.443 290 A N 0.367 123.114 122.820 -0.121 0.000 1.902 290 A HA -0.234 -2.240 4.320 -10.543 0.000 0.217 290 A C 1.881 179.343 177.584 -0.203 0.000 1.181 290 A CA 1.751 53.643 52.037 -0.240 0.000 0.623 290 A CB -0.920 17.938 19.000 -0.237 0.000 0.818 290 A HN 0.734 nan 8.150 nan 0.000 0.443 291 N N -1.663 117.039 118.700 0.004 0.000 2.223 291 N HA -0.132 -1.717 4.740 -10.543 0.000 0.185 291 N C 1.514 177.061 175.510 0.061 0.000 1.016 291 N CA 1.296 54.421 53.050 0.124 0.000 0.863 291 N CB -0.236 38.302 38.487 0.085 0.000 0.983 291 N HN 0.540 nan 8.380 nan 0.000 0.429 292 F N 1.975 121.845 119.950 -0.133 0.000 2.146 292 F HA 0.003 -1.795 4.527 -10.541 0.000 0.298 292 F C 2.277 177.974 175.800 -0.173 0.000 1.096 292 F CA 1.000 58.895 58.000 -0.176 0.000 1.275 292 F CB -0.427 38.453 39.000 -0.200 0.000 1.008 292 F HN -0.055 nan 8.300 nan 0.000 0.480 293 A N -0.081 122.607 122.820 -0.221 0.000 1.902 293 A HA -0.162 -2.168 4.320 -10.543 0.000 0.217 293 A C 2.271 179.661 177.584 -0.324 0.000 1.181 293 A CA 1.597 53.423 52.037 -0.352 0.000 0.623 293 A CB -1.606 17.194 19.000 -0.333 0.000 0.818 293 A HN 0.479 nan 8.150 nan 0.000 0.443 294 F N 0.071 119.890 119.950 -0.218 0.000 2.126 294 F HA -0.200 -1.999 4.527 -10.544 0.000 0.299 294 F C 2.836 178.487 175.800 -0.249 0.000 1.096 294 F CA 0.786 58.661 58.000 -0.209 0.000 1.255 294 F CB -0.105 38.797 39.000 -0.164 0.000 0.997 294 F HN 0.305 nan 8.300 nan 0.000 0.479 295 A N -0.029 122.728 122.820 -0.104 0.000 1.930 295 A HA -0.244 -2.249 4.320 -10.543 0.000 0.217 295 A C 1.830 179.210 177.584 -0.341 0.000 1.175 295 A CA 1.955 53.855 52.037 -0.228 0.000 0.627 295 A CB -0.927 17.897 19.000 -0.293 0.000 0.815 295 A HN 0.425 nan 8.150 nan 0.000 0.443 296 N N -0.131 118.280 118.700 -0.482 0.000 2.120 296 N HA -0.158 -1.744 4.740 -10.543 0.000 0.188 296 N C 1.857 177.187 175.510 -0.300 0.000 1.024 296 N CA 1.803 54.569 53.050 -0.473 0.000 0.852 296 N CB -0.287 37.848 38.487 -0.588 0.000 1.003 296 N HN 0.494 nan 8.380 nan 0.000 0.424 297 R N -0.519 119.838 120.500 -0.238 0.000 2.092 297 R HA -0.098 -2.084 4.340 -10.543 0.000 0.231 297 R C 2.051 178.254 176.300 -0.162 0.000 1.119 297 R CA 1.133 57.129 56.100 -0.174 0.000 0.970 297 R CB -0.283 29.939 30.300 -0.131 0.000 0.864 297 R HN 0.336 nan 8.270 nan 0.000 0.440 298 Q N 1.313 121.019 119.800 -0.157 0.000 2.084 298 Q HA -0.105 -2.091 4.340 -10.543 0.000 0.202 298 Q C 1.914 177.799 176.000 -0.192 0.000 0.978 298 Q CA 1.443 57.159 55.803 -0.144 0.000 0.844 298 Q CB -0.299 28.368 28.738 -0.118 0.000 0.898 298 Q HN 0.324 nan 8.270 nan 0.000 0.426 299 L N -0.383 120.672 121.223 -0.281 0.000 2.046 299 L HA -0.147 -2.133 4.340 -10.543 0.000 0.208 299 L C 2.228 178.712 176.870 -0.642 0.000 1.077 299 L CA 1.264 55.824 54.840 -0.466 0.000 0.747 299 L CB -0.270 41.499 42.059 -0.482 0.000 0.896 299 L HN 0.366 nan 8.230 nan 0.000 0.432 300 I N -0.333 120.015 120.570 -0.370 0.000 2.226 300 I HA -0.296 -2.451 4.170 -10.543 0.000 0.245 300 I C 2.733 178.780 176.117 -0.118 0.000 1.100 300 I CA 1.152 62.344 61.300 -0.180 0.000 1.374 300 I CB -0.458 37.501 38.000 -0.069 0.000 1.057 300 I HN 0.251 nan 8.210 nan 0.000 0.413 301 A N 0.084 122.820 122.820 -0.140 0.000 1.933 301 A HA -0.308 -2.314 4.320 -10.543 0.000 0.218 301 A C 2.172 179.687 177.584 -0.116 0.000 1.175 301 A CA 2.115 54.080 52.037 -0.119 0.000 0.628 301 A CB -0.956 17.962 19.000 -0.136 0.000 0.814 301 A HN 0.530 nan 8.150 nan 0.000 0.444 302 H N -1.181 117.754 119.070 -0.225 0.000 2.321 302 H HA -0.126 -1.895 4.556 -10.543 0.000 0.300 302 H C 1.535 176.886 175.328 0.037 0.000 1.087 302 H CA 2.154 58.114 56.048 -0.148 0.000 1.319 302 H CB -0.306 29.376 29.762 -0.133 0.000 1.379 302 H HN 0.421 nan 8.280 nan 0.000 0.501 303 F N -0.455 119.509 119.950 0.023 0.000 2.234 303 F HA -0.102 -1.902 4.527 -10.544 0.000 0.299 303 F C 2.627 178.411 175.800 -0.027 0.000 1.087 303 F CA 0.693 58.686 58.000 -0.013 0.000 1.340 303 F CB -1.099 37.927 39.000 0.044 0.000 1.031 303 F HN 0.087 nan 8.300 nan 0.000 0.500 304 V N 0.184 120.187 119.914 0.149 0.000 2.295 304 V HA -0.270 -2.476 4.120 -10.543 0.000 0.246 304 V C 2.485 178.629 176.094 0.082 0.000 1.049 304 V CA 1.732 64.110 62.300 0.130 0.000 1.024 304 V CB -0.551 31.306 31.823 0.056 0.000 0.648 304 V HN 0.208 nan 8.190 nan 0.000 0.447 305 R N -0.097 120.336 120.500 -0.112 0.000 2.091 305 R HA -0.189 -2.175 4.340 -10.543 0.000 0.238 305 R C 2.272 178.568 176.300 -0.007 0.000 1.136 305 R CA 1.804 57.774 56.100 -0.217 0.000 0.959 305 R CB -0.329 29.831 30.300 -0.233 0.000 0.856 305 R HN 0.628 nan 8.270 nan 0.000 0.437 306 E N 0.240 120.437 120.200 -0.006 0.000 2.153 306 E HA -0.174 -2.150 4.350 -10.543 0.000 0.194 306 E C 1.993 178.664 176.600 0.117 0.000 0.988 306 E CA 1.089 57.520 56.400 0.052 0.000 0.811 306 E CB -0.076 29.645 29.700 0.035 0.000 0.746 306 E HN 0.387 nan 8.360 nan 0.000 0.466 307 A N 0.677 123.585 122.820 0.147 0.000 1.897 307 A HA -0.116 -2.122 4.320 -10.543 0.000 0.215 307 A C 1.876 179.563 177.584 0.172 0.000 1.181 307 A CA 0.865 52.981 52.037 0.133 0.000 0.620 307 A CB -0.664 18.407 19.000 0.117 0.000 0.821 307 A HN 0.165 nan 8.150 nan 0.000 0.443 308 F N 0.188 120.165 119.950 0.046 0.000 2.102 308 F HA -0.158 -1.959 4.527 -10.546 0.000 0.298 308 F C 2.507 178.485 175.800 0.297 0.000 1.105 308 F CA 1.793 59.888 58.000 0.157 0.000 1.239 308 F CB -0.179 38.790 39.000 -0.052 0.000 0.991 308 F HN 0.276 nan 8.300 nan 0.000 0.474 309 E N -0.045 120.411 120.200 0.427 0.000 2.110 309 E HA -0.222 -2.198 4.350 -10.543 0.000 0.193 309 E C 2.140 178.854 176.600 0.188 0.000 0.988 309 E CA 0.796 57.394 56.400 0.329 0.000 0.804 309 E CB -0.135 29.732 29.700 0.277 0.000 0.745 309 E HN 0.057 nan 8.360 nan 0.000 0.458 310 K N 1.154 121.641 120.400 0.145 0.000 2.152 310 K HA -0.121 -2.127 4.320 -10.543 0.000 0.206 310 K C 1.807 178.438 176.600 0.053 0.000 1.048 310 K CA 1.349 57.684 56.287 0.080 0.000 0.933 310 K CB -0.019 32.517 32.500 0.060 0.000 0.721 310 K HN 0.218 nan 8.250 nan 0.000 0.447 311 V N -3.666 116.287 119.914 0.065 0.000 3.577 311 V HA 0.365 -1.840 4.120 -10.543 0.000 0.294 311 V C 1.000 177.032 176.094 -0.103 0.000 1.317 311 V CA 0.612 62.911 62.300 -0.001 0.000 1.169 311 V CB 0.075 31.905 31.823 0.011 0.000 1.011 311 V HN 0.335 nan 8.190 nan 0.000 0.426 312 G N 0.021 108.784 108.800 -0.062 0.000 2.231 312 G HA2 -0.196 -2.562 3.960 -10.543 0.000 0.206 312 G HA3 -0.196 -2.562 3.960 -10.543 0.000 0.206 312 G C -0.260 174.535 174.900 -0.176 0.000 0.996 312 G CA -0.160 44.837 45.100 -0.172 0.000 0.645 312 G HN 0.484 nan 8.290 nan 0.000 0.498 313 F N 3.469 123.521 119.950 0.171 0.000 2.413 313 F HA 0.495 -1.298 4.527 -10.533 0.000 0.359 313 F C 1.514 177.460 175.800 0.244 0.000 1.122 313 F CA 0.186 58.329 58.000 0.238 0.000 1.160 313 F CB 1.043 40.279 39.000 0.393 0.000 1.146 313 F HN 0.169 nan 8.300 nan 0.000 0.514 314 T N 1.005 115.714 114.554 0.258 0.000 2.766 314 T HA 0.140 -1.836 4.350 -10.543 0.000 0.295 314 T C -1.867 172.781 174.700 -0.087 0.000 1.024 314 T CA -1.568 60.603 62.100 0.118 0.000 1.018 314 T CB 1.096 69.999 68.868 0.058 0.000 1.002 314 T HN 0.249 nan 8.240 nan 0.000 0.532 315 P HA -0.132 nan 4.420 nan 0.000 0.216 315 P C 1.667 178.718 177.300 -0.415 0.000 1.150 315 P CA 1.153 63.967 63.100 -0.477 0.000 0.837 315 P CB -0.030 31.598 31.700 -0.120 0.000 0.786 316 R N -1.109 119.297 120.500 -0.157 0.000 2.193 316 R HA -0.000 -1.986 4.340 -10.543 0.000 0.213 316 R C 1.163 177.496 176.300 0.054 0.000 1.055 316 R CA 1.133 57.211 56.100 -0.037 0.000 0.995 316 R CB -0.853 29.447 30.300 -0.001 0.000 0.893 316 R HN 0.116 nan 8.270 nan 0.000 0.459 317 D N 1.468 121.894 120.400 0.044 0.000 2.110 317 D HA -0.127 -1.813 4.640 -10.543 0.000 0.202 317 D C 1.880 178.309 176.300 0.216 0.000 0.975 317 D CA 1.762 55.877 54.000 0.191 0.000 0.839 317 D CB -0.301 40.698 40.800 0.331 0.000 0.996 317 D HN 0.602 nan 8.370 nan 0.000 0.464 318 H N -0.652 118.524 119.070 0.175 0.000 2.436 318 H HA 0.216 -1.557 4.556 -10.549 0.000 0.294 318 H C 1.357 176.601 175.328 -0.140 0.000 1.048 318 H CA 0.998 57.045 56.048 -0.002 0.000 1.353 318 H CB -0.770 28.950 29.762 -0.069 0.000 1.414 318 H HN 0.085 nan 8.280 nan 0.000 0.536 319 G N 1.288 110.017 108.800 -0.118 0.000 2.441 319 G HA2 -0.321 -2.687 3.960 -10.543 0.000 0.298 319 G HA3 -0.321 -2.687 3.960 -10.543 0.000 0.298 319 G C -0.124 174.702 174.900 -0.123 0.000 0.949 319 G CA 0.568 45.503 45.100 -0.275 0.000 1.072 319 G HN 0.519 nan 8.290 nan 0.000 0.512 320 L N 0.332 121.683 121.223 0.213 0.000 2.623 320 L HA 0.220 -1.766 4.340 -10.543 0.000 0.281 320 L C 1.374 178.242 176.870 -0.003 0.000 1.150 320 L CA 0.153 54.947 54.840 -0.078 0.000 0.965 320 L CB 0.065 41.891 42.059 -0.388 0.000 1.303 320 L HN 0.310 nan 8.230 nan 0.000 0.467 321 R N 2.096 122.566 120.500 -0.051 0.000 2.720 321 R HA 0.533 -1.453 4.340 -10.543 0.000 0.272 321 R C -0.777 175.474 176.300 -0.082 0.000 0.991 321 R CA -1.080 55.009 56.100 -0.019 0.000 1.010 321 R CB 1.904 32.169 30.300 -0.059 0.000 1.141 321 R HN 0.163 nan 8.270 nan 0.000 0.494 322 V N 3.777 123.653 119.914 -0.063 0.000 2.439 322 V HA -0.010 -2.216 4.120 -10.543 0.000 0.271 322 V C 1.390 177.418 176.094 -0.110 0.000 1.040 322 V CA 0.281 62.553 62.300 -0.047 0.000 1.002 322 V CB 0.770 32.623 31.823 0.050 0.000 1.000 322 V HN 0.720 nan 8.190 nan 0.000 0.477 323 L N 5.365 126.554 121.223 -0.058 0.000 2.049 323 L HA 0.156 -1.829 4.340 -10.543 0.000 0.203 323 L C 0.224 177.208 176.870 0.190 0.000 1.074 323 L CA 1.550 56.371 54.840 -0.032 0.000 0.749 323 L CB 0.214 42.237 42.059 -0.060 0.000 0.907 323 L HN 0.620 nan 8.230 nan 0.000 0.439 324 Y N -1.389 118.898 120.300 -0.022 0.000 2.713 324 Y HA 0.392 -1.385 4.550 -10.545 0.000 0.335 324 Y C -1.755 174.154 175.900 0.015 0.000 1.222 324 Y CA -1.791 56.335 58.100 0.044 0.000 1.061 324 Y CB 1.215 39.637 38.460 -0.064 0.000 1.314 324 Y HN -0.011 nan 8.280 nan 0.000 0.453 325 D N 3.159 123.247 120.400 -0.521 0.000 2.891 325 D HA 0.493 -1.192 4.640 -10.543 0.000 0.224 325 D C -1.904 174.191 176.300 -0.342 0.000 1.321 325 D CA -0.179 53.648 54.000 -0.288 0.000 0.929 325 D CB 1.369 42.053 40.800 -0.192 0.000 1.551 325 D HN 0.770 nan 8.370 nan 0.000 0.574 326 L N 0.190 121.377 121.223 -0.060 0.000 2.469 326 L HA 0.979 -1.007 4.340 -10.543 0.000 0.256 326 L C -1.030 175.898 176.870 0.096 0.000 1.006 326 L CA -1.003 53.872 54.840 0.059 0.000 0.832 326 L CB 1.773 43.930 42.059 0.162 0.000 1.421 326 L HN 0.344 nan 8.230 nan 0.000 0.410 327 A N 0.235 123.102 122.820 0.078 0.000 2.322 327 A HA 0.456 -1.549 4.320 -10.543 0.000 0.269 327 A C 0.191 177.882 177.584 0.178 0.000 1.094 327 A CA -0.191 51.856 52.037 0.016 0.000 0.807 327 A CB 0.067 19.006 19.000 -0.102 0.000 1.047 327 A HN 1.031 nan 8.150 nan 0.000 0.487 328 H N -0.010 119.011 119.070 -0.082 0.000 2.874 328 H HA 0.151 -1.619 4.556 -10.544 0.000 0.264 328 H C -0.596 174.663 175.328 -0.116 0.000 1.007 328 H CA -0.168 55.840 56.048 -0.066 0.000 1.207 328 H CB 0.650 30.408 29.762 -0.007 0.000 1.487 328 H HN 0.587 nan 8.280 nan 0.000 0.505 329 N N 1.197 119.902 118.700 0.009 0.000 2.480 329 N HA 0.271 -1.314 4.740 -10.543 0.000 0.289 329 N C -1.353 174.109 175.510 -0.079 0.000 1.073 329 N CA -0.214 52.811 53.050 -0.042 0.000 0.885 329 N CB 2.293 40.767 38.487 -0.022 0.000 1.421 329 N HN 0.336 nan 8.380 nan 0.000 0.503 330 N N -0.030 118.616 118.700 -0.089 0.000 3.521 330 N HA 0.445 -1.141 4.740 -10.543 0.000 0.228 330 N C -2.018 173.405 175.510 -0.145 0.000 1.328 330 N CA -0.546 52.430 53.050 -0.123 0.000 0.907 330 N CB 1.550 39.965 38.487 -0.121 0.000 1.487 330 N HN 0.455 nan 8.380 nan 0.000 0.503 331 A N 1.915 124.608 122.820 -0.212 0.000 2.343 331 A HA 0.733 -1.272 4.320 -10.543 0.000 0.316 331 A C -1.139 176.282 177.584 -0.271 0.000 1.104 331 A CA -0.389 51.448 52.037 -0.332 0.000 0.768 331 A CB 1.009 19.671 19.000 -0.564 0.000 1.213 331 A HN 0.514 nan 8.150 nan 0.000 0.456 332 K N 1.354 121.609 120.400 -0.241 0.000 2.502 332 K HA 0.486 -1.519 4.320 -10.543 0.000 0.257 332 K C -1.657 174.857 176.600 -0.143 0.000 0.938 332 K CA -0.461 55.745 56.287 -0.135 0.000 0.819 332 K CB 2.176 34.661 32.500 -0.025 0.000 1.333 332 K HN 0.540 nan 8.250 nan 0.000 0.434 333 F N 2.025 121.999 119.950 0.041 0.000 2.438 333 F HA 0.206 -1.593 4.527 -10.543 0.000 0.356 333 F C 0.541 176.403 175.800 0.103 0.000 1.099 333 F CA 0.299 58.353 58.000 0.090 0.000 1.185 333 F CB 0.867 39.937 39.000 0.117 0.000 1.115 333 F HN 0.355 nan 8.300 nan 0.000 0.526 334 E N 1.522 121.901 120.200 0.298 0.000 2.429 334 E HA 0.288 -1.687 4.350 -10.543 0.000 0.276 334 E C -1.193 175.476 176.600 0.116 0.000 0.953 334 E CA -1.162 55.369 56.400 0.220 0.000 0.787 334 E CB 1.814 31.699 29.700 0.309 0.000 1.307 334 E HN 0.339 nan 8.360 nan 0.000 0.458 335 E N 2.067 122.222 120.200 -0.074 0.000 2.130 335 E HA 0.286 -1.689 4.350 -10.543 0.000 0.284 335 E C -0.806 175.595 176.600 -0.332 0.000 1.018 335 E CA -0.055 56.286 56.400 -0.099 0.000 0.817 335 E CB 0.627 30.277 29.700 -0.083 0.000 1.078 335 E HN 0.367 nan 8.360 nan 0.000 0.396 336 H N 2.287 121.454 119.070 0.162 0.000 2.954 336 H HA 0.276 -1.494 4.556 -10.543 0.000 0.361 336 H C 0.109 175.534 175.328 0.162 0.000 1.122 336 H CA -0.568 55.599 56.048 0.198 0.000 1.217 336 H CB 1.429 31.415 29.762 0.374 0.000 1.776 336 H HN 0.389 nan 8.280 nan 0.000 0.533 337 R N 0.942 121.578 120.500 0.227 0.000 3.525 337 R HA -0.191 -2.177 4.340 -10.543 0.000 0.276 337 R C 0.857 177.220 176.300 0.105 0.000 1.116 337 R CA 0.849 57.037 56.100 0.146 0.000 0.745 337 R CB -2.253 28.150 30.300 0.171 0.000 1.185 337 R HN 1.165 nan 8.270 nan 0.000 0.454 338 G N -0.235 108.611 108.800 0.077 0.000 2.166 338 G HA2 -0.389 -2.754 3.960 -10.543 0.000 0.260 338 G HA3 -0.389 -2.754 3.960 -10.543 0.000 0.260 338 G C 0.236 175.174 174.900 0.064 0.000 0.986 338 G CA 1.144 46.274 45.100 0.050 0.000 0.683 338 G HN 0.518 nan 8.290 nan 0.000 0.527 339 R N -1.164 119.396 120.500 0.100 0.000 2.867 339 R HA 0.625 -1.361 4.340 -10.543 0.000 0.268 339 R C 0.113 176.497 176.300 0.139 0.000 1.014 339 R CA -1.083 55.083 56.100 0.111 0.000 0.946 339 R CB 1.329 31.702 30.300 0.122 0.000 1.208 339 R HN 0.185 nan 8.270 nan 0.000 0.477 340 R N 1.652 122.241 120.500 0.148 0.000 2.221 340 R HA 0.349 -1.637 4.340 -10.543 0.000 0.327 340 R C -0.648 175.813 176.300 0.268 0.000 1.033 340 R CA -0.349 55.873 56.100 0.202 0.000 0.887 340 R CB 0.627 31.035 30.300 0.179 0.000 1.057 340 R HN 0.478 nan 8.270 nan 0.000 0.455 341 V N 2.196 122.290 119.914 0.300 0.000 3.102 341 V HA 0.572 -1.634 4.120 -10.543 0.000 0.312 341 V C -1.178 175.021 176.094 0.176 0.000 1.135 341 V CA -1.346 61.103 62.300 0.248 0.000 1.022 341 V CB 1.795 33.715 31.823 0.162 0.000 1.056 341 V HN 0.661 nan 8.190 nan 0.000 0.436 342 L N 2.999 124.224 121.223 0.002 0.000 2.265 342 L HA 0.703 -1.282 4.340 -10.543 0.000 0.289 342 L C -0.458 176.334 176.870 -0.130 0.000 1.033 342 L CA 0.017 54.649 54.840 -0.346 0.000 0.814 342 L CB 1.232 42.951 42.059 -0.566 0.000 1.203 342 L HN 0.639 nan 8.230 nan 0.000 0.423 343 V N 5.187 125.010 119.914 -0.152 0.000 2.350 343 V HA 0.307 -1.898 4.120 -10.543 0.000 0.276 343 V C -0.391 175.651 176.094 -0.087 0.000 1.028 343 V CA -0.603 61.650 62.300 -0.078 0.000 0.860 343 V CB 0.643 32.448 31.823 -0.030 0.000 0.990 343 V HN 0.683 nan 8.190 nan 0.000 0.453 344 H N 4.280 123.343 119.070 -0.011 0.000 2.580 344 H HA 0.614 -1.156 4.556 -10.543 0.000 0.322 344 H C 0.124 175.445 175.328 -0.012 0.000 1.082 344 H CA -0.108 55.920 56.048 -0.034 0.000 1.383 344 H CB 0.644 30.386 29.762 -0.034 0.000 1.450 344 H HN 0.476 nan 8.280 nan 0.000 0.505 345 R N 2.845 123.375 120.500 0.051 0.000 2.500 345 R HA 0.270 -1.716 4.340 -10.543 0.000 0.299 345 R C -0.803 175.489 176.300 -0.013 0.000 1.038 345 R CA -0.724 55.395 56.100 0.031 0.000 0.903 345 R CB 1.878 32.179 30.300 0.001 0.000 1.177 345 R HN 0.455 nan 8.270 nan 0.000 0.455 346 K N 1.420 121.817 120.400 -0.004 0.000 2.425 346 K HA 0.275 -1.730 4.320 -10.543 0.000 0.259 346 K C 0.172 176.715 176.600 -0.094 0.000 0.978 346 K CA -0.071 56.190 56.287 -0.044 0.000 0.883 346 K CB 1.466 33.952 32.500 -0.023 0.000 1.110 346 K HN 0.798 nan 8.250 nan 0.000 0.436 347 G N 2.476 111.137 108.800 -0.232 0.000 2.272 347 G HA2 -0.177 -2.543 3.960 -10.543 0.000 0.280 347 G HA3 -0.177 -2.543 3.960 -10.543 0.000 0.280 347 G C -0.316 174.346 174.900 -0.395 0.000 1.067 347 G CA 0.397 45.120 45.100 -0.629 0.000 0.902 347 G HN 0.862 nan 8.290 nan 0.000 0.500 348 A N -1.217 121.462 122.820 -0.236 0.000 2.612 348 A HA 1.029 -0.976 4.320 -10.543 0.000 0.293 348 A C -0.039 177.467 177.584 -0.130 0.000 1.075 348 A CA 0.421 52.411 52.037 -0.078 0.000 0.680 348 A CB 1.199 20.211 19.000 0.020 0.000 1.279 348 A HN 1.839 nan 8.150 nan 0.000 0.411 349 T N -1.000 113.489 114.554 -0.109 0.000 2.932 349 T HA 0.719 -1.257 4.350 -10.543 0.000 0.289 349 T C 0.008 174.674 174.700 -0.057 0.000 1.039 349 T CA -0.777 61.260 62.100 -0.105 0.000 1.024 349 T CB 1.473 70.268 68.868 -0.122 0.000 1.090 349 T HN 0.828 nan 8.240 nan 0.000 0.496 350 R N 0.535 120.986 120.500 -0.081 0.000 2.490 350 R HA 0.561 -1.425 4.340 -10.543 0.000 0.280 350 R C -0.595 175.614 176.300 -0.152 0.000 1.077 350 R CA -0.336 55.665 56.100 -0.165 0.000 1.065 350 R CB 0.476 30.571 30.300 -0.342 0.000 1.003 350 R HN 0.910 nan 8.270 nan 0.000 0.470 351 A N 6.093 128.849 122.820 -0.107 0.000 3.409 351 A HA 0.275 -1.731 4.320 -10.543 0.000 0.282 351 A C -0.679 176.994 177.584 0.148 0.000 1.064 351 A CA -0.635 51.394 52.037 -0.014 0.000 0.889 351 A CB 0.067 19.071 19.000 0.007 0.000 1.251 351 A HN 0.712 nan 8.150 nan 0.000 0.538 352 F N 0.715 120.643 119.950 -0.038 0.000 2.553 352 F HA 0.345 -1.454 4.527 -10.544 0.000 0.356 352 F C 1.519 177.322 175.800 0.005 0.000 1.142 352 F CA 0.236 58.192 58.000 -0.073 0.000 1.322 352 F CB 1.014 39.825 39.000 -0.315 0.000 1.126 352 F HN 0.497 nan 8.300 nan 0.000 0.599 353 G N 2.078 111.026 108.800 0.247 0.000 2.613 353 G HA2 0.497 -1.869 3.960 -10.543 0.000 0.303 353 G HA3 0.497 -1.869 3.960 -10.543 0.000 0.303 353 G C -2.918 172.079 174.900 0.162 0.000 1.312 353 G CA -1.776 43.422 45.100 0.164 0.000 1.036 353 G HN 0.238 nan 8.290 nan 0.000 0.513 354 P HA 0.139 nan 4.420 nan 0.000 0.263 354 P C 0.979 178.332 177.300 0.089 0.000 1.175 354 P CA 1.875 65.034 63.100 0.099 0.000 0.761 354 P CB 0.776 32.513 31.700 0.061 0.000 0.794 355 G N 1.153 110.005 108.800 0.087 0.000 2.234 355 G HA2 -0.267 -2.633 3.960 -10.543 0.000 0.260 355 G HA3 -0.267 -2.633 3.960 -10.543 0.000 0.260 355 G C 0.370 175.293 174.900 0.039 0.000 0.987 355 G CA -0.124 45.005 45.100 0.049 0.000 0.625 355 G HN 0.747 nan 8.290 nan 0.000 0.532 356 H N 2.879 121.953 119.070 0.006 0.000 2.929 356 H HA 0.213 -1.557 4.556 -10.543 0.000 0.317 356 H C -0.512 174.822 175.328 0.010 0.000 1.031 356 H CA -0.522 55.507 56.048 -0.033 0.000 1.466 356 H CB 1.585 31.314 29.762 -0.056 0.000 1.482 356 H HN 0.189 nan 8.280 nan 0.000 0.561 357 P HA -0.146 nan 4.420 nan 0.000 0.219 357 P C 0.904 178.326 177.300 0.204 0.000 1.146 357 P CA 1.069 64.203 63.100 0.057 0.000 0.808 357 P CB 0.427 32.091 31.700 -0.061 0.000 0.779 358 E N -0.616 119.877 120.200 0.487 0.000 2.511 358 E HA 0.051 -1.925 4.350 -10.543 0.000 0.196 358 E C 0.116 176.886 176.600 0.282 0.000 1.066 358 E CA -0.038 56.582 56.400 0.367 0.000 0.871 358 E CB -0.018 29.966 29.700 0.473 0.000 0.863 358 E HN 0.035 nan 8.360 nan 0.000 0.520 359 V N 2.411 122.496 119.914 0.285 0.000 2.439 359 V HA 0.233 -1.973 4.120 -10.543 0.000 0.282 359 V C -2.205 173.971 176.094 0.137 0.000 1.039 359 V CA -2.188 60.244 62.300 0.220 0.000 0.913 359 V CB 1.382 33.353 31.823 0.246 0.000 0.983 359 V HN 0.049 nan 8.190 nan 0.000 0.460 360 P HA -0.007 nan 4.420 nan 0.000 0.264 360 P C 0.910 178.194 177.300 -0.026 0.000 1.183 360 P CA 0.337 63.388 63.100 -0.081 0.000 0.763 360 P CB 0.565 32.103 31.700 -0.271 0.000 0.807 361 E N 2.199 122.377 120.200 -0.037 0.000 2.147 361 E HA -0.305 -2.281 4.350 -10.543 0.000 0.199 361 E C 1.032 177.657 176.600 0.041 0.000 1.005 361 E CA 1.542 57.950 56.400 0.013 0.000 0.810 361 E CB 0.047 29.744 29.700 -0.004 0.000 0.736 361 E HN 0.440 nan 8.360 nan 0.000 0.460 362 E N -0.816 119.372 120.200 -0.020 0.000 2.209 362 E HA -0.176 -2.152 4.350 -10.543 0.000 0.196 362 E C 1.119 177.876 176.600 0.263 0.000 0.993 362 E CA 1.400 57.821 56.400 0.036 0.000 0.819 362 E CB -0.091 29.557 29.700 -0.086 0.000 0.745 362 E HN 0.584 nan 8.360 nan 0.000 0.477 363 Y N -1.688 118.749 120.300 0.228 0.000 2.445 363 Y HA 0.283 -1.495 4.550 -10.547 0.000 0.247 363 Y C 2.050 178.060 175.900 0.184 0.000 1.129 363 Y CA -0.632 57.629 58.100 0.269 0.000 1.251 363 Y CB 0.367 39.022 38.460 0.326 0.000 1.176 363 Y HN -0.126 nan 8.280 nan 0.000 0.522 364 R N 1.551 122.214 120.500 0.271 0.000 2.139 364 R HA -0.183 -2.169 4.340 -10.543 0.000 0.243 364 R C 1.881 178.268 176.300 0.146 0.000 1.145 364 R CA 1.580 57.792 56.100 0.187 0.000 0.976 364 R CB -0.017 30.358 30.300 0.125 0.000 0.866 364 R HN 0.319 nan 8.270 nan 0.000 0.449 365 R N -0.560 120.016 120.500 0.128 0.000 2.148 365 R HA -0.061 -2.046 4.340 -10.543 0.000 0.223 365 R C 2.058 178.395 176.300 0.063 0.000 1.088 365 R CA 1.445 57.593 56.100 0.080 0.000 0.985 365 R CB 0.145 30.481 30.300 0.060 0.000 0.880 365 R HN 0.274 nan 8.270 nan 0.000 0.451 366 V N -3.714 116.245 119.914 0.075 0.000 3.661 366 V HA 0.458 -1.747 4.120 -10.543 0.000 0.271 366 V C 0.627 176.754 176.094 0.056 0.000 1.315 366 V CA 0.338 62.642 62.300 0.006 0.000 1.072 366 V CB 0.298 32.034 31.823 -0.146 0.000 0.830 366 V HN 0.353 nan 8.190 nan 0.000 0.443 367 G N 0.256 109.147 108.800 0.152 0.000 2.570 367 G HA2 -0.078 -2.444 3.960 -10.543 0.000 0.686 367 G HA3 -0.078 -2.444 3.960 -10.543 0.000 0.686 367 G C -0.719 174.317 174.900 0.226 0.000 1.257 367 G CA -0.154 45.049 45.100 0.172 0.000 0.846 367 G HN 0.689 nan 8.290 nan 0.000 0.627 368 Q N 0.479 120.349 119.800 0.116 0.000 2.337 368 Q HA 0.380 -1.606 4.340 -10.543 0.000 0.270 368 Q C -2.039 173.823 176.000 -0.230 0.000 1.002 368 Q CA -1.232 54.508 55.803 -0.106 0.000 0.888 368 Q CB 0.671 29.337 28.738 -0.122 0.000 1.222 368 Q HN 0.300 nan 8.270 nan 0.000 0.400 369 P HA 0.049 nan 4.420 nan 0.000 0.271 369 P C -1.342 175.784 177.300 -0.291 0.000 1.218 369 P CA -0.124 62.549 63.100 -0.711 0.000 0.780 369 P CB 0.824 31.774 31.700 -1.250 0.000 0.901 370 V N 4.598 124.466 119.914 -0.078 0.000 2.443 370 V HA 0.289 -1.917 4.120 -10.543 0.000 0.293 370 V C -0.093 176.044 176.094 0.071 0.000 1.021 370 V CA -0.500 61.810 62.300 0.018 0.000 0.848 370 V CB 1.302 33.135 31.823 0.017 0.000 0.998 370 V HN 0.337 nan 8.190 nan 0.000 0.424 371 L N 5.582 126.883 121.223 0.130 0.000 2.257 371 L HA 0.564 -1.421 4.340 -10.543 0.000 0.290 371 L C -0.466 176.538 176.870 0.224 0.000 1.044 371 L CA -0.606 54.328 54.840 0.156 0.000 0.810 371 L CB 1.520 43.661 42.059 0.138 0.000 1.193 371 L HN 0.347 nan 8.230 nan 0.000 0.425 372 V N 5.381 125.420 119.914 0.208 0.000 2.257 372 V HA 0.283 -1.922 4.120 -10.543 0.000 0.269 372 V C -1.930 174.318 176.094 0.257 0.000 1.040 372 V CA -1.451 60.985 62.300 0.228 0.000 0.813 372 V CB 1.133 33.063 31.823 0.178 0.000 1.065 372 V HN 0.590 nan 8.190 nan 0.000 0.457 373 P HA 0.304 nan 4.420 nan 0.000 0.278 373 P C 0.247 177.713 177.300 0.277 0.000 1.238 373 P CA 0.288 63.557 63.100 0.283 0.000 0.794 373 P CB 2.059 33.961 31.700 0.337 0.000 0.955 374 G N 2.164 111.115 108.800 0.252 0.000 2.606 374 G HA2 0.291 -2.075 3.960 -10.543 0.000 0.262 374 G HA3 0.291 -2.075 3.960 -10.543 0.000 0.262 374 G C -0.595 174.389 174.900 0.140 0.000 1.394 374 G CA -0.529 44.683 45.100 0.187 0.000 1.044 374 G HN 0.399 nan 8.290 nan 0.000 0.553 378 R N -0.121 120.258 120.500 -0.203 0.000 2.923 378 R HA 0.530 -1.456 4.340 -10.543 0.000 0.252 378 R C -0.570 175.632 176.300 -0.164 0.000 1.130 378 R CA -0.947 55.034 56.100 -0.199 0.000 1.043 378 R CB 0.382 30.634 30.300 -0.082 0.000 1.205 378 R HN 0.179 nan 8.270 nan 0.000 0.495 379 Y N -0.015 120.247 120.300 -0.064 0.000 2.480 379 Y HA 0.036 -1.741 4.550 -10.545 0.000 0.338 379 Y C 0.989 176.804 175.900 -0.142 0.000 1.220 379 Y CA 0.709 58.704 58.100 -0.174 0.000 1.430 379 Y CB 0.748 39.042 38.460 -0.277 0.000 1.311 379 Y HN 0.291 nan 8.280 nan 0.000 0.575 380 S N 1.289 116.958 115.700 -0.051 0.000 2.607 380 S HA 0.618 -1.238 4.470 -10.543 0.000 0.303 380 S C -1.615 172.864 174.600 -0.202 0.000 1.086 380 S CA -0.731 57.481 58.200 0.020 0.000 0.995 380 S CB 0.944 64.188 63.200 0.073 0.000 1.084 380 S HN 0.415 nan 8.310 nan 0.000 0.507 381 Y N -0.132 120.228 120.300 0.099 0.000 2.576 381 Y HA 0.626 -1.148 4.550 -10.539 0.000 0.346 381 Y C -0.456 175.493 175.900 0.083 0.000 1.018 381 Y CA -0.974 57.179 58.100 0.087 0.000 1.050 381 Y CB 1.347 39.844 38.460 0.062 0.000 1.280 381 Y HN 0.288 nan 8.280 nan 0.000 0.474 382 V N 4.159 124.221 119.914 0.247 0.000 2.444 382 V HA 0.500 -1.705 4.120 -10.543 0.000 0.294 382 V C -0.378 175.841 176.094 0.208 0.000 1.022 382 V CA -0.704 61.708 62.300 0.186 0.000 0.850 382 V CB 1.119 33.040 31.823 0.163 0.000 0.992 382 V HN 0.579 nan 8.190 nan 0.000 0.426 383 L N 3.253 124.571 121.223 0.160 0.000 2.260 383 L HA 1.019 -0.967 4.340 -10.543 0.000 0.265 383 L C 0.104 177.076 176.870 0.169 0.000 1.015 383 L CA -0.916 53.998 54.840 0.122 0.000 0.826 383 L CB 1.777 43.863 42.059 0.044 0.000 1.373 383 L HN 0.667 nan 8.230 nan 0.000 0.450 384 A N -0.578 122.313 122.820 0.118 0.000 2.414 384 A HA 0.739 -1.267 4.320 -10.543 0.000 0.306 384 A C -0.239 177.385 177.584 0.066 0.000 1.054 384 A CA -0.315 51.813 52.037 0.153 0.000 0.724 384 A CB 1.404 20.469 19.000 0.108 0.000 1.267 384 A HN 0.727 nan 8.150 nan 0.000 0.418 385 G N 0.571 109.413 108.800 0.071 0.000 2.544 385 G HA2 0.494 -1.872 3.960 -10.543 0.000 0.242 385 G HA3 0.494 -1.872 3.960 -10.543 0.000 0.242 385 G C 0.277 175.213 174.900 0.059 0.000 1.247 385 G CA 0.681 45.817 45.100 0.060 0.000 0.840 385 G HN 1.396 nan 8.290 nan 0.000 0.578 386 T N -1.634 112.946 114.554 0.044 0.000 2.926 386 T HA 0.451 -1.525 4.350 -10.543 0.000 0.289 386 T C 0.766 175.493 174.700 0.045 0.000 1.054 386 T CA -0.640 61.478 62.100 0.029 0.000 1.015 386 T CB 2.366 71.227 68.868 -0.011 0.000 1.167 386 T HN 0.461 nan 8.240 nan 0.000 0.526 387 E N 0.093 120.312 120.200 0.031 0.000 2.106 387 E HA -0.088 -2.063 4.350 -10.543 0.000 0.192 387 E C 1.980 178.592 176.600 0.020 0.000 0.984 387 E CA 0.753 57.172 56.400 0.032 0.000 0.806 387 E CB -0.017 29.694 29.700 0.019 0.000 0.750 387 E HN 0.714 nan 8.360 nan 0.000 0.458 388 K N 1.244 121.645 120.400 0.002 0.000 2.103 388 K HA -0.093 -2.098 4.320 -10.543 0.000 0.207 388 K C 0.973 177.566 176.600 -0.011 0.000 1.048 388 K CA 0.829 57.110 56.287 -0.010 0.000 0.930 388 K CB -0.070 32.415 32.500 -0.024 0.000 0.716 388 K HN 0.046 nan 8.250 nan 0.000 0.444 392 V N 0.170 120.041 119.914 -0.073 0.000 3.660 392 V HA 0.312 -1.894 4.120 -10.543 0.000 0.276 392 V C 1.094 177.164 176.094 -0.039 0.000 1.317 392 V CA 1.343 63.608 62.300 -0.059 0.000 1.097 392 V CB 0.400 32.262 31.823 0.066 0.000 0.863 392 V HN 0.228 nan 8.190 nan 0.000 0.438 393 S N -1.620 114.036 115.700 -0.073 0.000 3.021 393 S HA 0.410 -1.446 4.470 -10.543 0.000 0.252 393 S C 0.156 174.796 174.600 0.066 0.000 0.996 393 S CA -0.222 58.001 58.200 0.038 0.000 1.084 393 S CB -0.851 62.404 63.200 0.091 0.000 1.021 393 S HN 0.599 nan 8.310 nan 0.000 0.566 394 F N 1.819 121.753 119.950 -0.027 0.000 3.067 394 F HA -0.150 -1.949 4.527 -10.544 0.000 0.279 394 F C 1.303 177.150 175.800 0.078 0.000 0.945 394 F CA 0.739 58.583 58.000 -0.260 0.000 0.948 394 F CB -1.797 36.942 39.000 -0.435 0.000 0.898 394 F HN 0.746 nan 8.300 nan 0.000 0.746 395 G N 0.963 109.943 108.800 0.300 0.000 2.371 395 G HA2 -0.129 -2.495 3.960 -10.543 0.000 0.299 395 G HA3 -0.129 -2.495 3.960 -10.543 0.000 0.299 395 G C -0.020 175.052 174.900 0.287 0.000 1.014 395 G CA 0.503 45.837 45.100 0.391 0.000 1.097 395 G HN 0.684 nan 8.290 nan 0.000 0.512 396 S N -1.105 114.689 115.700 0.157 0.000 2.566 396 S HA 0.890 -0.966 4.470 -10.543 0.000 0.298 396 S C 0.111 174.712 174.600 0.001 0.000 1.083 396 S CA 0.064 58.316 58.200 0.087 0.000 0.978 396 S CB 2.443 65.719 63.200 0.127 0.000 1.073 396 S HN 0.794 nan 8.310 nan 0.000 0.491 397 S N -0.349 115.338 115.700 -0.020 0.000 2.911 397 S HA 0.671 -1.185 4.470 -10.543 0.000 0.319 397 S C -0.274 174.307 174.600 -0.033 0.000 1.154 397 S CA -0.594 57.568 58.200 -0.064 0.000 0.857 397 S CB 0.308 63.469 63.200 -0.065 0.000 1.279 397 S HN 1.044 nan 8.310 nan 0.000 0.593 398 C N 0.454 119.733 119.300 -0.035 0.000 2.403 398 C HA 0.782 -1.083 4.460 -10.543 0.000 0.361 398 C C 1.257 176.251 174.990 0.006 0.000 1.274 398 C CA 0.556 59.586 59.018 0.021 0.000 2.433 398 C CB -0.670 27.076 27.740 0.011 0.000 2.323 398 C HN 1.192 nan 8.230 nan 0.000 0.614 399 H N -0.903 118.101 119.070 -0.109 0.000 3.091 399 H HA 0.463 -1.307 4.556 -10.543 0.000 0.249 399 H C 0.614 176.007 175.328 0.108 0.000 0.985 399 H CA 0.444 56.343 56.048 -0.248 0.000 1.177 399 H CB -0.077 29.349 29.762 -0.560 0.000 1.456 399 H HN 0.907 nan 8.280 nan 0.000 0.467 400 G N -0.413 108.088 108.800 -0.499 0.000 2.489 400 G HA2 0.547 -1.819 3.960 -10.543 0.000 0.327 400 G HA3 0.547 -1.819 3.960 -10.543 0.000 0.327 400 G C 0.182 175.032 174.900 -0.084 0.000 1.189 400 G CA -0.507 44.377 45.100 -0.360 0.000 0.962 400 G HN 0.441 nan 8.290 nan 0.000 0.486 401 A N -0.282 122.539 122.820 0.002 0.000 2.167 401 A HA 0.637 -1.368 4.320 -10.543 0.000 0.208 401 A C 1.290 178.894 177.584 0.033 0.000 1.198 401 A CA 1.317 53.374 52.037 0.032 0.000 0.863 401 A CB -0.029 19.089 19.000 0.197 0.000 0.904 401 A HN 1.130 nan 8.150 nan 0.000 0.484 402 G N -0.826 107.994 108.800 0.034 0.000 3.234 402 G HA2 0.585 -1.781 3.960 -10.543 0.000 0.159 402 G HA3 0.585 -1.781 3.960 -10.543 0.000 0.159 402 G C -0.432 174.466 174.900 -0.004 0.000 1.175 402 G CA -0.525 44.592 45.100 0.027 0.000 0.900 402 G HN 0.129 nan 8.290 nan 0.000 0.621 419 L N 1.132 122.335 121.223 -0.033 0.000 1.994 419 L HA 0.001 -1.985 4.340 -10.543 0.000 0.208 419 L C 1.990 178.831 176.870 -0.049 0.000 1.071 419 L CA 1.510 56.326 54.840 -0.040 0.000 0.745 419 L CB -0.289 41.747 42.059 -0.037 0.000 0.892 419 L HN 0.084 nan 8.230 nan 0.000 0.431 420 V N -1.125 118.762 119.914 -0.045 0.000 3.471 420 V HA -0.043 -2.249 4.120 -10.543 0.000 0.258 420 V C 2.190 178.258 176.094 -0.044 0.000 1.192 420 V CA 0.603 62.873 62.300 -0.049 0.000 1.116 420 V CB -0.084 31.711 31.823 -0.047 0.000 0.792 420 V HN 0.339 nan 8.190 nan 0.000 0.459 421 K N 0.758 121.135 120.400 -0.038 0.000 2.026 421 K HA -0.184 -2.190 4.320 -10.543 0.000 0.208 421 K C 1.881 178.461 176.600 -0.034 0.000 1.048 421 K CA 1.777 58.044 56.287 -0.033 0.000 0.929 421 K CB -0.124 32.359 32.500 -0.028 0.000 0.713 421 K HN 0.511 nan 8.250 nan 0.000 0.439 422 E N 0.688 120.867 120.200 -0.036 0.000 2.482 422 E HA -0.049 -2.024 4.350 -10.543 0.000 0.196 422 E C 1.759 178.332 176.600 -0.044 0.000 1.047 422 E CA 0.246 56.624 56.400 -0.037 0.000 0.869 422 E CB 0.079 29.757 29.700 -0.036 0.000 0.836 422 E HN 0.257 nan 8.360 nan 0.000 0.520 423 L N 0.121 121.314 121.223 -0.050 0.000 2.240 423 L HA -0.002 -1.988 4.340 -10.543 0.000 0.211 423 L C 2.267 179.109 176.870 -0.046 0.000 1.106 423 L CA 0.527 55.332 54.840 -0.058 0.000 0.793 423 L CB -0.103 41.916 42.059 -0.068 0.000 0.927 423 L HN 0.108 nan 8.230 nan 0.000 0.446 424 A N -0.707 122.089 122.820 -0.039 0.000 2.238 424 A HA -0.047 -2.053 4.320 -10.543 0.000 0.208 424 A C 1.907 179.475 177.584 -0.025 0.000 1.177 424 A CA 0.593 52.611 52.037 -0.031 0.000 0.804 424 A CB -0.174 18.807 19.000 -0.031 0.000 0.823 424 A HN 0.393 nan 8.150 nan 0.000 0.482 425 E N -0.330 119.854 120.200 -0.027 0.000 2.364 425 E HA -0.029 -2.005 4.350 -10.543 0.000 0.196 425 E C 1.274 177.862 176.600 -0.020 0.000 0.990 425 E CA 0.238 56.625 56.400 -0.021 0.000 0.886 425 E CB 0.125 29.812 29.700 -0.021 0.000 0.866 425 E HN 0.756 nan 8.360 nan 0.000 0.493 426 R N 0.023 120.506 120.500 -0.028 0.000 2.426 426 R HA 0.279 -1.706 4.340 -10.543 0.000 0.263 426 R C 0.700 176.990 176.300 -0.017 0.000 0.961 426 R CA 0.416 56.498 56.100 -0.029 0.000 1.086 426 R CB 0.085 30.353 30.300 -0.054 0.000 1.186 426 R HN 0.010 nan 8.270 nan 0.000 0.537 427 G N 1.753 110.546 108.800 -0.011 0.000 2.324 427 G HA2 -0.237 -2.603 3.960 -10.543 0.000 0.292 427 G HA3 -0.237 -2.603 3.960 -10.543 0.000 0.292 427 G C -0.264 174.636 174.900 0.001 0.000 1.079 427 G CA -0.038 45.062 45.100 0.000 0.000 1.026 427 G HN 0.412 nan 8.290 nan 0.000 0.506 428 I N 0.407 120.968 120.570 -0.015 0.000 2.468 428 I HA 0.333 -1.823 4.170 -10.543 0.000 0.285 428 I C 0.541 176.644 176.117 -0.023 0.000 1.039 428 I CA -0.971 60.318 61.300 -0.018 0.000 1.074 428 I CB 1.586 39.561 38.000 -0.042 0.000 1.228 428 I HN -0.029 nan 8.210 nan 0.000 0.436 429 L N 6.562 127.777 121.223 -0.014 0.000 2.367 429 L HA 0.446 -1.539 4.340 -10.543 0.000 0.275 429 L C -0.288 176.567 176.870 -0.024 0.000 1.129 429 L CA -0.568 54.259 54.840 -0.021 0.000 0.839 429 L CB 1.048 43.098 42.059 -0.014 0.000 1.133 429 L HN 0.288 nan 8.230 nan 0.000 0.453 430 V N 3.596 123.486 119.914 -0.039 0.000 2.581 430 V HA 0.521 -1.684 4.120 -10.543 0.000 0.303 430 V C -0.232 175.821 176.094 -0.068 0.000 1.041 430 V CA -0.777 61.497 62.300 -0.043 0.000 0.907 430 V CB 1.985 33.777 31.823 -0.051 0.000 0.994 430 V HN 0.603 nan 8.190 nan 0.000 0.442 431 R N 2.752 123.222 120.500 -0.050 0.000 2.468 431 R HA 0.791 -1.195 4.340 -10.543 0.000 0.302 431 R C -0.596 175.675 176.300 -0.049 0.000 1.041 431 R CA -0.158 55.866 56.100 -0.127 0.000 0.899 431 R CB 1.540 31.833 30.300 -0.012 0.000 1.167 431 R HN 0.955 nan 8.270 nan 0.000 0.483 432 A N 1.435 124.177 122.820 -0.131 0.000 2.380 432 A HA 0.912 -1.094 4.320 -10.543 0.000 0.315 432 A C -0.653 176.952 177.584 0.034 0.000 1.101 432 A CA -0.452 51.589 52.037 0.008 0.000 0.771 432 A CB 1.549 20.545 19.000 -0.007 0.000 1.287 432 A HN 0.683 nan 8.150 nan 0.000 0.436 450 S N 4.019 119.716 115.700 -0.005 0.000 2.481 450 S HA 0.463 -1.393 4.470 -10.543 0.000 0.276 450 S C 1.099 175.634 174.600 -0.108 0.000 1.247 450 S CA -0.394 57.756 58.200 -0.083 0.000 1.053 450 S CB 0.605 63.640 63.200 -0.275 0.000 0.925 450 S HN 0.598 nan 8.310 nan 0.000 0.491 451 L N 5.483 126.687 121.223 -0.032 0.000 2.109 451 L HA -0.054 -2.040 4.340 -10.543 0.000 0.207 451 L C 2.346 179.204 176.870 -0.020 0.000 1.086 451 L CA 0.728 55.567 54.840 -0.002 0.000 0.760 451 L CB -0.569 41.518 42.059 0.046 0.000 0.910 451 L HN 0.557 nan 8.230 nan 0.000 0.437 452 V N -0.518 119.376 119.914 -0.033 0.000 2.233 452 V HA -0.281 -2.486 4.120 -10.543 0.000 0.247 452 V C 2.441 178.468 176.094 -0.112 0.000 1.050 452 V CA 1.821 64.102 62.300 -0.031 0.000 1.010 452 V CB -0.455 31.354 31.823 -0.023 0.000 0.637 452 V HN 0.195 nan 8.190 nan 0.000 0.444 453 V N -0.035 119.745 119.914 -0.223 0.000 2.392 453 V HA -0.305 -2.511 4.120 -10.543 0.000 0.249 453 V C 2.472 178.394 176.094 -0.287 0.000 1.059 453 V CA 2.321 64.431 62.300 -0.317 0.000 1.051 453 V CB -0.638 30.823 31.823 -0.602 0.000 0.658 453 V HN 0.699 nan 8.190 nan 0.000 0.455 454 E N 0.295 120.347 120.200 -0.246 0.000 2.051 454 E HA -0.232 -2.208 4.350 -10.543 0.000 0.192 454 E C 2.258 178.652 176.600 -0.343 0.000 0.991 454 E CA 1.447 57.702 56.400 -0.240 0.000 0.799 454 E CB -0.194 29.434 29.700 -0.119 0.000 0.748 454 E HN 0.567 nan 8.360 nan 0.000 0.449 455 A N 0.592 123.292 122.820 -0.201 0.000 1.898 455 A HA -0.113 -2.118 4.320 -10.543 0.000 0.216 455 A C 2.427 179.844 177.584 -0.279 0.000 1.181 455 A CA 1.303 53.228 52.037 -0.187 0.000 0.620 455 A CB -0.711 18.375 19.000 0.143 0.000 0.819 455 A HN 0.233 nan 8.150 nan 0.000 0.442 456 V N 0.035 119.826 119.914 -0.207 0.000 2.287 456 V HA -0.295 -2.501 4.120 -10.543 0.000 0.248 456 V C 2.585 178.511 176.094 -0.280 0.000 1.053 456 V CA 2.519 64.680 62.300 -0.232 0.000 1.027 456 V CB -0.600 31.111 31.823 -0.186 0.000 0.646 456 V HN 0.807 nan 8.190 nan 0.000 0.447 457 E N -0.162 119.861 120.200 -0.296 0.000 2.106 457 E HA -0.150 -2.126 4.350 -10.543 0.000 0.192 457 E C 2.242 178.644 176.600 -0.330 0.000 0.984 457 E CA 1.238 57.473 56.400 -0.275 0.000 0.806 457 E CB -0.452 29.090 29.700 -0.262 0.000 0.750 457 E HN 0.579 nan 8.360 nan 0.000 0.458 458 G N 0.555 109.020 108.800 -0.558 0.000 2.422 458 G HA2 -0.246 -2.612 3.960 -10.543 0.000 0.218 458 G HA3 -0.246 -2.612 3.960 -10.543 0.000 0.218 458 G C 1.564 176.253 174.900 -0.351 0.000 1.146 458 G CA 0.724 45.373 45.100 -0.752 0.000 0.769 458 G HN 0.389 nan 8.290 nan 0.000 0.547 459 A N -0.295 122.362 122.820 -0.271 0.000 2.206 459 A HA 0.428 -1.578 4.320 -10.543 0.000 0.211 459 A C 2.103 179.625 177.584 -0.103 0.000 1.158 459 A CA 1.403 53.413 52.037 -0.045 0.000 0.761 459 A CB -0.519 18.485 19.000 0.008 0.000 0.801 459 A HN 1.643 nan 8.150 nan 0.000 0.473 460 G N -0.341 108.365 108.800 -0.156 0.000 2.143 460 G HA2 -0.270 -2.636 3.960 -10.543 0.000 0.249 460 G HA3 -0.270 -2.636 3.960 -10.543 0.000 0.249 460 G C 0.536 175.349 174.900 -0.145 0.000 0.981 460 G CA 0.424 45.450 45.100 -0.123 0.000 0.665 460 G HN 1.334 nan 8.290 nan 0.000 0.528 461 I N -2.821 117.615 120.570 -0.223 0.000 3.816 461 I HA 0.650 -1.506 4.170 -10.543 0.000 0.334 461 I C 0.650 176.664 176.117 -0.170 0.000 1.551 461 I CA -0.147 61.018 61.300 -0.226 0.000 1.153 461 I CB 0.527 38.281 38.000 -0.411 0.000 1.197 461 I HN 0.581 nan 8.210 nan 0.000 0.439 462 G N 2.084 110.800 108.800 -0.140 0.000 2.374 462 G HA2 0.096 -2.270 3.960 -10.543 0.000 0.298 462 G HA3 0.096 -2.270 3.960 -10.543 0.000 0.298 462 G C -1.291 173.551 174.900 -0.098 0.000 2.674 462 G CA -0.807 44.231 45.100 -0.103 0.000 0.775 462 G HN 0.224 nan 8.290 nan 0.000 0.437 463 K N 2.280 122.644 120.400 -0.060 0.000 2.339 463 K HA 0.297 -1.709 4.320 -10.543 0.000 0.286 463 K C 0.297 176.877 176.600 -0.033 0.000 1.050 463 K CA -0.412 55.841 56.287 -0.058 0.000 0.956 463 K CB 0.604 33.080 32.500 -0.041 0.000 0.990 463 K HN 0.332 nan 8.250 nan 0.000 0.475 464 K N 2.812 123.174 120.400 -0.063 0.000 2.412 464 K HA 0.029 -1.977 4.320 -10.543 0.000 0.281 464 K C 0.429 177.105 176.600 0.127 0.000 1.027 464 K CA -0.435 55.841 56.287 -0.019 0.000 0.989 464 K CB 1.188 33.538 32.500 -0.250 0.000 0.935 464 K HN 0.396 nan 8.250 nan 0.000 0.475 465 V N 1.221 121.270 119.914 0.224 0.000 2.948 465 V HA 0.248 -1.958 4.120 -10.543 0.000 0.234 465 V C 0.107 176.346 176.094 0.242 0.000 1.205 465 V CA 0.702 63.114 62.300 0.187 0.000 1.234 465 V CB 0.683 32.578 31.823 0.120 0.000 1.020 465 V HN 0.869 nan 8.190 nan 0.000 0.491 466 A N -0.084 122.908 122.820 0.286 0.000 2.599 466 A HA 0.826 -1.180 4.320 -10.543 0.000 0.290 466 A C -1.033 176.649 177.584 0.165 0.000 1.101 466 A CA -0.607 51.495 52.037 0.108 0.000 0.674 466 A CB 1.794 20.794 19.000 0.001 0.000 1.277 466 A HN 0.181 nan 8.150 nan 0.000 0.419 467 R N 0.260 120.726 120.500 -0.058 0.000 2.670 467 R HA 0.701 -1.285 4.340 -10.543 0.000 0.289 467 R C -1.956 174.194 176.300 -0.249 0.000 0.965 467 R CA -0.668 55.288 56.100 -0.240 0.000 0.899 467 R CB 1.118 31.210 30.300 -0.347 0.000 1.173 467 R HN 0.515 nan 8.270 nan 0.000 0.456 468 L N 3.544 124.618 121.223 -0.249 0.000 2.341 468 L HA 0.549 -1.436 4.340 -10.543 0.000 0.278 468 L C -0.218 176.561 176.870 -0.152 0.000 1.005 468 L CA -0.489 54.236 54.840 -0.192 0.000 0.818 468 L CB 1.489 43.482 42.059 -0.109 0.000 1.259 468 L HN 0.605 nan 8.230 nan 0.000 0.418 469 R N 4.819 125.116 120.500 -0.338 0.000 2.445 469 R HA 0.610 -1.376 4.340 -10.543 0.000 0.308 469 R C -2.517 173.605 176.300 -0.296 0.000 0.961 469 R CA -1.561 54.339 56.100 -0.334 0.000 0.862 469 R CB 1.829 31.814 30.300 -0.525 0.000 1.144 469 R HN 0.359 nan 8.270 nan 0.000 0.447 470 P HA 0.081 nan 4.420 nan 0.000 0.275 470 P C -0.434 176.870 177.300 0.006 0.000 1.228 470 P CA -0.074 62.989 63.100 -0.061 0.000 0.786 470 P CB 1.377 33.030 31.700 -0.079 0.000 0.927 471 L N 1.730 122.990 121.223 0.062 0.000 2.663 471 L HA 0.370 -1.615 4.340 -10.543 0.000 0.218 471 L C 0.838 177.734 176.870 0.043 0.000 1.043 471 L CA 0.353 55.246 54.840 0.088 0.000 0.876 471 L CB 0.257 42.397 42.059 0.136 0.000 1.263 471 L HN 0.260 nan 8.230 nan 0.000 0.486 472 I N 0.119 120.715 120.570 0.044 0.000 2.533 472 I HA 0.358 -1.798 4.170 -10.543 0.000 0.290 472 I C -1.222 174.922 176.117 0.047 0.000 1.056 472 I CA -0.677 60.644 61.300 0.034 0.000 1.057 472 I CB 2.800 40.822 38.000 0.037 0.000 1.240 472 I HN -0.340 nan 8.210 nan 0.000 0.423 473 V N 6.786 126.717 119.914 0.029 0.000 2.444 473 V HA 0.412 -1.794 4.120 -10.543 0.000 0.294 473 V C -0.332 175.808 176.094 0.077 0.000 1.022 473 V CA -0.657 61.668 62.300 0.041 0.000 0.850 473 V CB 2.190 33.982 31.823 -0.052 0.000 0.992 473 V HN 0.397 nan 8.190 nan 0.000 0.426 474 V N 6.062 126.067 119.914 0.151 0.000 2.378 474 V HA 0.457 -1.749 4.120 -10.543 0.000 0.288 474 V C -0.016 176.207 176.094 0.215 0.000 1.016 474 V CA -0.896 61.511 62.300 0.178 0.000 0.840 474 V CB 1.532 33.471 31.823 0.193 0.000 0.994 474 V HN 0.862 nan 8.190 nan 0.000 0.431 475 K N 3.057 123.569 120.400 0.186 0.000 2.118 475 K HA 0.728 -1.278 4.320 -10.543 0.000 0.254 475 K C 0.568 177.276 176.600 0.181 0.000 0.961 475 K CA -0.525 55.874 56.287 0.188 0.000 0.876 475 K CB 1.743 34.316 32.500 0.121 0.000 1.077 475 K HN 0.731 nan 8.250 nan 0.000 0.440 476 G N 0.000 108.899 108.800 0.165 0.000 5.446 476 G HA2 0.000 -2.366 3.960 -10.543 0.000 0.244 476 G HA3 0.000 -2.366 3.960 -10.543 0.000 0.244 476 G CA 0.000 45.180 45.100 0.133 0.000 0.502 476 G HN 0.000 nan 8.290 nan 0.000 0.925