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 2zy9_1_B DATA FIRST_RESID 20 DATA SEQUENCE ALREVLEEIH PQDLLALWDE LKGEHRYVVL TLLPKAKAAE VLSHLSPEEQ DATA SEQUENCE AEYLKTLPPW RLREILEELS LDDLADALQA VRKEDPAYFQ RLKDLLDPRT DATA SEQUENCE RAEVEALARY EEDEAGGLMT PEYVAVREGM TVEEVLRFLR RAAPDAETIY DATA SEQUENCE YIYVVDEKGR LKGVLSLRDL IVADPRTRVA EIMNPKVVYV RTDTDQEEVA DATA SEQUENCE RLMADYDFTV LPVVDEEGRL VGIVTVDDVL DVLEAEATED IHKLGAVDVP DATA SEQUENCE DLVYSEAGPV ALWLARVRWL VILILTGMVT SSILQGFESV LEAVTALAFY DATA SEQUENCE VPVLLGTGGN TGNQSATLII RALATRDLDL RDWRRVFLKE MGVGLLLGLT DATA SEQUENCE LSFLLVGKVY WDGHPLLLPV VGVSLVLIVF FANLVGAMLP FLLRRLGVDP DATA SEQUENCE ALVSNPLVAT LSDVTGLLIY LSVARLLLE 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.601 177.584 0.029 0.000 1.274 20 A CA 0.000 52.051 52.037 0.024 0.000 0.836 20 A CB 0.000 19.014 19.000 0.023 0.000 0.831 21 L N -0.269 120.974 121.223 0.033 0.000 2.109 21 L HA 0.060 4.405 4.340 0.008 0.000 0.207 21 L C 1.952 178.845 176.870 0.038 0.000 1.086 21 L CA 1.030 55.894 54.840 0.040 0.000 0.760 21 L CB -0.156 41.930 42.059 0.045 0.000 0.910 21 L HN 0.323 nan 8.230 nan 0.000 0.437 22 R N -0.349 120.171 120.500 0.033 0.000 2.978 22 R HA 0.106 4.451 4.340 0.008 0.000 0.298 22 R C 0.407 176.720 176.300 0.023 0.000 1.296 22 R CA -0.012 56.105 56.100 0.029 0.000 1.181 22 R CB 0.299 30.616 30.300 0.028 0.000 1.348 22 R HN 0.426 nan 8.270 nan 0.000 0.585 23 E N -0.841 119.373 120.200 0.024 0.000 3.863 23 E HA -0.066 4.289 4.350 0.008 0.000 0.197 23 E C 1.480 178.092 176.600 0.021 0.000 1.299 23 E CA 0.375 56.786 56.400 0.019 0.000 1.522 23 E CB 0.093 29.803 29.700 0.017 0.000 1.732 23 E HN 0.115 nan 8.360 nan 0.000 0.560 24 V N 0.735 120.663 119.914 0.024 0.000 2.828 24 V HA -0.143 3.982 4.120 0.008 0.000 0.260 24 V C 1.699 177.811 176.094 0.030 0.000 1.101 24 V CA 1.580 63.896 62.300 0.026 0.000 1.123 24 V CB -0.626 31.213 31.823 0.026 0.000 0.704 24 V HN 0.176 nan 8.190 nan 0.000 0.493 25 L N -0.369 120.874 121.223 0.033 0.000 2.470 25 L HA 0.297 4.642 4.340 0.008 0.000 0.219 25 L C 3.050 179.939 176.870 0.032 0.000 1.071 25 L CA 0.862 55.726 54.840 0.039 0.000 0.850 25 L CB -0.967 41.120 42.059 0.047 0.000 1.040 25 L HN 0.408 nan 8.230 nan 0.000 0.475 26 E N 1.320 121.535 120.200 0.025 0.000 2.086 26 E HA -0.318 4.037 4.350 0.008 0.000 0.200 26 E C 1.884 178.488 176.600 0.007 0.000 1.012 26 E CA 2.094 58.503 56.400 0.015 0.000 0.812 26 E CB -0.711 28.996 29.700 0.012 0.000 0.743 26 E HN 0.617 nan 8.360 nan 0.000 0.453 27 E N -0.570 119.636 120.200 0.011 0.000 2.051 27 E HA -0.042 4.313 4.350 0.008 0.000 0.192 27 E C 1.381 177.990 176.600 0.013 0.000 0.991 27 E CA 0.646 57.051 56.400 0.008 0.000 0.799 27 E CB -0.702 29.008 29.700 0.016 0.000 0.748 27 E HN 0.755 nan 8.360 nan 0.000 0.449 28 I N 0.760 121.350 120.570 0.034 0.000 2.996 28 I HA -0.134 4.041 4.170 0.008 0.000 0.311 28 I C 0.372 176.533 176.117 0.074 0.000 1.219 28 I CA 0.397 61.734 61.300 0.061 0.000 1.452 28 I CB 0.257 38.296 38.000 0.065 0.000 1.319 28 I HN -0.011 nan 8.210 nan 0.000 0.564 29 H N 8.997 128.074 119.070 0.010 0.000 2.652 29 H HA 0.265 4.826 4.556 0.008 0.000 0.349 29 H C -1.852 173.475 175.328 -0.003 0.000 1.099 29 H CA -2.129 53.920 56.048 0.001 0.000 1.417 29 H CB 1.455 31.214 29.762 -0.005 0.000 1.457 29 H HN 0.524 nan 8.280 nan 0.000 0.568 30 P HA -0.171 nan 4.420 nan 0.000 0.219 30 P C 1.126 178.506 177.300 0.134 0.000 1.146 30 P CA 1.057 64.261 63.100 0.174 0.000 0.808 30 P CB 0.571 32.340 31.700 0.116 0.000 0.779 31 Q N 0.092 119.990 119.800 0.164 0.000 2.049 31 Q HA -0.107 4.238 4.340 0.008 0.000 0.198 31 Q C 1.871 177.827 176.000 -0.073 0.000 0.971 31 Q CA 1.249 56.975 55.803 -0.128 0.000 0.833 31 Q CB -0.793 27.680 28.738 -0.442 0.000 0.896 31 Q HN 0.338 nan 8.270 nan 0.000 0.434 32 D N 0.723 121.106 120.400 -0.028 0.000 2.133 32 D HA -0.165 4.480 4.640 0.008 0.000 0.195 32 D C 1.991 178.328 176.300 0.061 0.000 0.997 32 D CA 0.730 54.742 54.000 0.020 0.000 0.840 32 D CB -0.141 40.696 40.800 0.061 0.000 0.947 32 D HN 0.102 nan 8.370 nan 0.000 0.452 33 L N 0.491 121.766 121.223 0.087 0.000 2.093 33 L HA -0.040 4.305 4.340 0.008 0.000 0.208 33 L C 2.276 179.244 176.870 0.163 0.000 1.085 33 L CA 1.042 55.961 54.840 0.132 0.000 0.755 33 L CB -0.392 41.739 42.059 0.120 0.000 0.904 33 L HN 0.007 nan 8.230 nan 0.000 0.435 34 L N -1.204 120.049 121.223 0.050 0.000 2.056 34 L HA -0.160 4.185 4.340 0.008 0.000 0.207 34 L C 2.581 179.518 176.870 0.111 0.000 1.078 34 L CA 1.137 55.979 54.840 0.005 0.000 0.749 34 L CB -0.745 41.249 42.059 -0.108 0.000 0.901 34 L HN 0.312 nan 8.230 nan 0.000 0.433 35 A N -0.109 122.750 122.820 0.065 0.000 1.972 35 A HA -0.122 4.203 4.320 0.008 0.000 0.219 35 A C 2.018 179.668 177.584 0.111 0.000 1.169 35 A CA 1.207 53.284 52.037 0.067 0.000 0.635 35 A CB -0.559 18.454 19.000 0.021 0.000 0.810 35 A HN 0.428 nan 8.150 nan 0.000 0.446 36 L N -1.822 119.485 121.223 0.140 0.000 2.612 36 L HA -0.021 4.324 4.340 0.008 0.000 0.230 36 L C 2.059 179.039 176.870 0.183 0.000 1.140 36 L CA -0.260 54.657 54.840 0.129 0.000 0.896 36 L CB -0.413 41.708 42.059 0.103 0.000 1.065 36 L HN 0.682 nan 8.230 nan 0.000 0.447 37 W N 2.025 123.334 121.300 0.015 0.000 2.380 37 W HA -0.202 4.463 4.660 0.009 0.000 0.317 37 W C 1.700 178.242 176.519 0.039 0.000 1.196 37 W CA 1.353 58.714 57.345 0.028 0.000 1.307 37 W CB 0.139 29.617 29.460 0.031 0.000 1.157 37 W HN 0.271 nan 8.180 nan 0.000 0.483 38 D N 0.157 120.651 120.400 0.156 0.000 2.309 38 D HA -0.174 4.471 4.640 0.008 0.000 0.212 38 D C 1.099 177.384 176.300 -0.025 0.000 0.968 38 D CA 1.354 55.385 54.000 0.051 0.000 0.882 38 D CB -0.193 40.669 40.800 0.103 0.000 0.918 38 D HN 0.230 nan 8.370 nan 0.000 0.503 39 E N -0.229 119.954 120.200 -0.028 0.000 2.444 39 E HA 0.200 4.555 4.350 0.008 0.000 0.191 39 E C -0.287 176.242 176.600 -0.119 0.000 1.041 39 E CA -0.034 56.335 56.400 -0.053 0.000 0.883 39 E CB 0.224 29.910 29.700 -0.023 0.000 1.024 39 E HN 0.151 nan 8.360 nan 0.000 0.470 40 L N 0.497 121.606 121.223 -0.189 0.000 2.341 40 L HA 0.488 4.833 4.340 0.008 0.000 0.278 40 L C 0.489 177.222 176.870 -0.228 0.000 1.005 40 L CA -0.939 53.750 54.840 -0.252 0.000 0.818 40 L CB 1.467 43.328 42.059 -0.330 0.000 1.259 40 L HN -0.098 nan 8.230 nan 0.000 0.418 41 K N 1.287 121.615 120.400 -0.119 0.000 2.285 41 K HA 0.248 4.573 4.320 0.008 0.000 0.255 41 K C 1.193 177.784 176.600 -0.015 0.000 1.000 41 K CA 0.360 56.639 56.287 -0.013 0.000 0.887 41 K CB -0.181 32.402 32.500 0.138 0.000 0.997 41 K HN 0.900 nan 8.250 nan 0.000 0.510 42 G N -0.820 107.982 108.800 0.004 0.000 2.776 42 G HA2 0.209 4.174 3.960 0.008 0.000 0.209 42 G HA3 0.209 4.174 3.960 0.008 0.000 0.209 42 G C 1.250 176.195 174.900 0.075 0.000 1.145 42 G CA 1.386 46.505 45.100 0.033 0.000 0.791 42 G HN 1.020 nan 8.290 nan 0.000 0.530 43 E N -0.345 119.894 120.200 0.065 0.000 2.364 43 E HA 0.162 4.517 4.350 0.008 0.000 0.203 43 E C 1.856 178.478 176.600 0.037 0.000 0.888 43 E CA 0.389 56.804 56.400 0.024 0.000 0.989 43 E CB -0.465 29.199 29.700 -0.060 0.000 0.985 43 E HN 0.580 nan 8.360 nan 0.000 0.499 44 H N 0.318 119.395 119.070 0.011 0.000 2.363 44 H HA 0.170 4.731 4.556 0.008 0.000 0.301 44 H C 2.280 177.592 175.328 -0.027 0.000 1.074 44 H CA 1.499 57.544 56.048 -0.004 0.000 1.354 44 H CB 0.241 29.970 29.762 -0.054 0.000 1.397 44 H HN 0.217 nan 8.280 nan 0.000 0.516 45 R N -0.444 120.032 120.500 -0.040 0.000 2.200 45 R HA -0.185 4.160 4.340 0.008 0.000 0.234 45 R C 1.555 177.883 176.300 0.048 0.000 1.127 45 R CA 1.286 57.205 56.100 -0.303 0.000 0.989 45 R CB -0.247 29.535 30.300 -0.864 0.000 0.869 45 R HN 0.433 nan 8.270 nan 0.000 0.459 46 Y N 1.083 121.442 120.300 0.099 0.000 2.176 46 Y HA -0.193 4.362 4.550 0.008 0.000 0.291 46 Y C 2.336 178.281 175.900 0.076 0.000 1.122 46 Y CA 1.387 59.594 58.100 0.179 0.000 1.128 46 Y CB -0.115 38.471 38.460 0.210 0.000 1.005 46 Y HN -0.127 nan 8.280 nan 0.000 0.509 47 V N -2.370 117.691 119.914 0.245 0.000 2.490 47 V HA -0.184 3.941 4.120 0.008 0.000 0.250 47 V C 1.901 178.032 176.094 0.062 0.000 1.061 47 V CA 1.717 64.097 62.300 0.133 0.000 1.064 47 V CB -1.458 30.426 31.823 0.102 0.000 0.670 47 V HN 0.269 nan 8.190 nan 0.000 0.461 48 V N -0.209 119.754 119.914 0.081 0.000 2.453 48 V HA -0.105 4.019 4.120 0.008 0.000 0.247 48 V C 2.485 178.606 176.094 0.045 0.000 1.048 48 V CA 1.867 64.222 62.300 0.092 0.000 1.049 48 V CB -0.598 31.323 31.823 0.162 0.000 0.672 48 V HN 0.506 nan 8.190 nan 0.000 0.457 49 L N -0.193 121.029 121.223 -0.002 0.000 2.465 49 L HA -0.025 4.320 4.340 0.008 0.000 0.224 49 L C 2.207 178.968 176.870 -0.181 0.000 1.145 49 L CA 1.992 56.767 54.840 -0.109 0.000 0.834 49 L CB -0.618 41.299 42.059 -0.237 0.000 0.944 49 L HN 0.360 nan 8.230 nan 0.000 0.451 50 T N -2.451 111.991 114.554 -0.186 0.000 3.001 50 T HA 0.114 4.469 4.350 0.008 0.000 0.251 50 T C 1.392 176.081 174.700 -0.020 0.000 1.040 50 T CA 0.153 62.129 62.100 -0.206 0.000 0.985 50 T CB 0.243 68.936 68.868 -0.292 0.000 1.011 50 T HN 0.065 nan 8.240 nan 0.000 0.509 51 L N 0.635 121.871 121.223 0.021 0.000 2.433 51 L HA 0.545 4.890 4.340 0.008 0.000 0.200 51 L C 0.677 177.586 176.870 0.065 0.000 1.059 51 L CA 0.483 55.368 54.840 0.075 0.000 0.835 51 L CB -0.504 41.599 42.059 0.074 0.000 1.076 51 L HN 0.224 nan 8.230 nan 0.000 0.481 52 L N 1.938 123.186 121.223 0.041 0.000 2.640 52 L HA -0.098 4.247 4.340 0.008 0.000 0.300 52 L C -1.721 175.169 176.870 0.035 0.000 1.259 52 L CA -0.951 53.909 54.840 0.033 0.000 0.879 52 L CB -0.431 41.638 42.059 0.016 0.000 1.125 52 L HN 0.046 nan 8.230 nan 0.000 0.507 53 P HA -0.096 nan 4.420 nan 0.000 0.259 53 P C 0.639 177.952 177.300 0.021 0.000 1.163 53 P CA 0.756 63.872 63.100 0.026 0.000 0.760 53 P CB 0.489 32.195 31.700 0.010 0.000 0.762 54 K N 3.929 124.351 120.400 0.035 0.000 2.148 54 K HA -0.314 4.011 4.320 0.008 0.000 0.213 54 K C 2.050 178.652 176.600 0.004 0.000 1.050 54 K CA 2.740 59.044 56.287 0.028 0.000 0.932 54 K CB -1.810 30.716 32.500 0.043 0.000 0.717 54 K HN 0.574 nan 8.250 nan 0.000 0.462 55 A N 0.772 123.593 122.820 0.001 0.000 1.858 55 A HA -0.154 4.171 4.320 0.008 0.000 0.216 55 A C 2.459 180.032 177.584 -0.018 0.000 1.190 55 A CA 2.147 54.178 52.037 -0.010 0.000 0.617 55 A CB -0.331 18.662 19.000 -0.012 0.000 0.827 55 A HN 0.635 nan 8.150 nan 0.000 0.443 56 K N -0.326 120.061 120.400 -0.020 0.000 2.026 56 K HA -0.022 4.303 4.320 0.008 0.000 0.208 56 K C 2.317 178.897 176.600 -0.034 0.000 1.048 56 K CA 1.093 57.365 56.287 -0.025 0.000 0.929 56 K CB -0.379 32.108 32.500 -0.021 0.000 0.713 56 K HN 0.427 nan 8.250 nan 0.000 0.439 57 A N 1.480 124.279 122.820 -0.035 0.000 1.927 57 A HA -0.239 4.086 4.320 0.008 0.000 0.220 57 A C 2.334 179.867 177.584 -0.084 0.000 1.185 57 A CA 2.249 54.249 52.037 -0.062 0.000 0.639 57 A CB -0.828 18.140 19.000 -0.053 0.000 0.820 57 A HN 0.382 nan 8.150 nan 0.000 0.451 58 A N -0.989 121.796 122.820 -0.059 0.000 2.016 58 A HA 0.034 4.359 4.320 0.008 0.000 0.217 58 A C 1.894 179.438 177.584 -0.067 0.000 1.162 58 A CA 1.770 53.770 52.037 -0.062 0.000 0.662 58 A CB -0.311 18.663 19.000 -0.043 0.000 0.812 58 A HN 0.547 nan 8.150 nan 0.000 0.450 59 E N -0.176 120.000 120.200 -0.041 0.000 2.152 59 E HA -0.073 4.282 4.350 0.008 0.000 0.192 59 E C 1.706 178.319 176.600 0.021 0.000 0.983 59 E CA 1.268 57.671 56.400 0.004 0.000 0.818 59 E CB -0.278 29.449 29.700 0.045 0.000 0.758 59 E HN 0.207 nan 8.360 nan 0.000 0.467 60 V N 0.324 120.192 119.914 -0.076 0.000 2.270 60 V HA -0.189 3.936 4.120 0.008 0.000 0.245 60 V C 2.387 178.316 176.094 -0.276 0.000 1.043 60 V CA 1.641 63.815 62.300 -0.210 0.000 1.014 60 V CB -0.447 31.184 31.823 -0.320 0.000 0.645 60 V HN 0.335 nan 8.190 nan 0.000 0.447 61 L N 0.018 121.104 121.223 -0.229 0.000 2.079 61 L HA -0.199 4.146 4.340 0.008 0.000 0.210 61 L C 2.696 179.484 176.870 -0.137 0.000 1.081 61 L CA 2.248 56.984 54.840 -0.174 0.000 0.752 61 L CB -0.526 41.471 42.059 -0.104 0.000 0.896 61 L HN 0.406 nan 8.230 nan 0.000 0.433 62 S N -1.253 114.354 115.700 -0.155 0.000 2.380 62 S HA -0.266 4.209 4.470 0.008 0.000 0.229 62 S C 1.870 176.258 174.600 -0.353 0.000 1.043 62 S CA 1.780 59.822 58.200 -0.263 0.000 1.038 62 S CB -0.430 62.554 63.200 -0.360 0.000 0.872 62 S HN 0.681 nan 8.310 nan 0.000 0.456 63 H N -0.167 118.843 119.070 -0.100 0.000 2.622 63 H HA 0.341 4.902 4.556 0.008 0.000 0.269 63 H C 0.917 176.195 175.328 -0.083 0.000 0.977 63 H CA -0.153 55.846 56.048 -0.082 0.000 1.179 63 H CB 0.029 29.738 29.762 -0.088 0.000 1.458 63 H HN 0.346 nan 8.280 nan 0.000 0.531 64 L N 1.619 122.824 121.223 -0.031 0.000 2.371 64 L HA -0.020 4.325 4.340 0.008 0.000 0.234 64 L C 0.856 177.752 176.870 0.043 0.000 1.230 64 L CA 0.171 54.998 54.840 -0.021 0.000 0.825 64 L CB 0.145 42.181 42.059 -0.039 0.000 1.157 64 L HN 0.146 nan 8.230 nan 0.000 0.565 65 S N -0.702 115.051 115.700 0.088 0.000 2.585 65 S HA 0.271 4.746 4.470 0.008 0.000 0.277 65 S C -1.792 172.862 174.600 0.091 0.000 1.241 65 S CA -1.400 56.855 58.200 0.090 0.000 1.041 65 S CB 1.274 64.540 63.200 0.110 0.000 0.987 65 S HN 0.409 nan 8.310 nan 0.000 0.512 66 P HA -0.244 nan 4.420 nan 0.000 0.218 66 P C 1.150 178.500 177.300 0.083 0.000 1.150 66 P CA 1.437 64.580 63.100 0.071 0.000 0.841 66 P CB 0.204 31.939 31.700 0.057 0.000 0.784 67 E N -0.175 120.077 120.200 0.087 0.000 2.107 67 E HA -0.156 4.199 4.350 0.008 0.000 0.191 67 E C 2.112 178.773 176.600 0.103 0.000 0.982 67 E CA 0.710 57.159 56.400 0.082 0.000 0.809 67 E CB -0.064 29.680 29.700 0.072 0.000 0.756 67 E HN 0.254 nan 8.360 nan 0.000 0.459 68 E N 0.107 120.400 120.200 0.155 0.000 2.076 68 E HA -0.169 4.186 4.350 0.008 0.000 0.190 68 E C 2.211 178.994 176.600 0.305 0.000 0.979 68 E CA 0.713 57.262 56.400 0.249 0.000 0.807 68 E CB 0.102 30.026 29.700 0.373 0.000 0.761 68 E HN 0.306 nan 8.360 nan 0.000 0.454 69 Q N 0.372 120.310 119.800 0.230 0.000 1.985 69 Q HA -0.207 4.138 4.340 0.008 0.000 0.207 69 Q C 2.188 178.301 176.000 0.189 0.000 0.996 69 Q CA 1.790 57.714 55.803 0.202 0.000 0.851 69 Q CB -0.331 28.474 28.738 0.112 0.000 0.921 69 Q HN 0.214 nan 8.270 nan 0.000 0.418 70 A N 0.602 123.504 122.820 0.137 0.000 2.186 70 A HA -0.214 4.111 4.320 0.008 0.000 0.219 70 A C 2.019 179.661 177.584 0.096 0.000 1.159 70 A CA 1.851 53.962 52.037 0.124 0.000 0.680 70 A CB -0.870 18.193 19.000 0.104 0.000 0.787 70 A HN 0.537 nan 8.150 nan 0.000 0.467 71 E N -1.246 118.986 120.200 0.054 0.000 2.051 71 E HA -0.132 4.222 4.350 0.008 0.000 0.189 71 E C 1.764 178.312 176.600 -0.086 0.000 0.979 71 E CA 1.228 57.582 56.400 -0.076 0.000 0.803 71 E CB -0.861 28.709 29.700 -0.217 0.000 0.761 71 E HN 0.780 nan 8.360 nan 0.000 0.451 72 Y N 0.322 120.697 120.300 0.125 0.000 2.457 72 Y HA 0.188 4.743 4.550 0.008 0.000 0.292 72 Y C 2.171 178.120 175.900 0.081 0.000 1.125 72 Y CA 0.626 58.795 58.100 0.115 0.000 1.254 72 Y CB 0.119 38.644 38.460 0.109 0.000 1.012 72 Y HN 0.114 nan 8.280 nan 0.000 0.555 73 L N -0.254 121.104 121.223 0.224 0.000 2.610 73 L HA -0.038 4.307 4.340 0.008 0.000 0.232 73 L C 2.060 179.116 176.870 0.310 0.000 1.149 73 L CA 1.077 56.036 54.840 0.199 0.000 0.872 73 L CB -0.547 41.611 42.059 0.166 0.000 0.992 73 L HN 0.259 nan 8.230 nan 0.000 0.447 74 K N -0.600 119.931 120.400 0.217 0.000 2.424 74 K HA 0.088 4.413 4.320 0.008 0.000 0.200 74 K C 1.842 178.464 176.600 0.036 0.000 1.279 74 K CA 0.820 57.164 56.287 0.096 0.000 0.918 74 K CB -0.575 31.867 32.500 -0.097 0.000 1.287 74 K HN 0.199 nan 8.250 nan 0.000 0.502 75 T N 1.162 115.772 114.554 0.093 0.000 2.978 75 T HA 0.203 4.558 4.350 0.008 0.000 0.262 75 T C 0.774 175.663 174.700 0.315 0.000 1.063 75 T CA -0.142 62.060 62.100 0.170 0.000 1.140 75 T CB -0.093 68.895 68.868 0.199 0.000 0.886 75 T HN 0.104 nan 8.240 nan 0.000 0.470 76 L N 3.027 124.374 121.223 0.206 0.000 2.485 76 L HA 0.270 4.615 4.340 0.008 0.000 0.275 76 L C -2.126 174.693 176.870 -0.084 0.000 1.207 76 L CA -2.261 52.547 54.840 -0.054 0.000 0.855 76 L CB -0.278 41.682 42.059 -0.165 0.000 1.114 76 L HN 0.039 nan 8.230 nan 0.000 0.485 77 P HA 0.052 nan 4.420 nan 0.000 0.268 77 P C -1.795 175.313 177.300 -0.320 0.000 1.208 77 P CA -0.875 62.048 63.100 -0.296 0.000 0.777 77 P CB -0.087 31.255 31.700 -0.596 0.000 0.875 78 P HA -0.192 nan 4.420 nan 0.000 0.217 78 P C 1.333 178.644 177.300 0.017 0.000 1.148 78 P CA 1.892 64.991 63.100 -0.001 0.000 0.828 78 P CB -0.431 31.324 31.700 0.091 0.000 0.783 79 W N 1.679 122.998 121.300 0.032 0.000 2.418 79 W HA -0.002 4.663 4.660 0.008 0.000 0.319 79 W C 2.150 178.675 176.519 0.009 0.000 1.183 79 W CA 0.660 58.015 57.345 0.017 0.000 1.327 79 W CB -1.922 27.548 29.460 0.016 0.000 1.163 79 W HN -0.143 nan 8.180 nan 0.000 0.479 80 R N 1.295 121.568 120.500 -0.378 0.000 2.185 80 R HA -0.192 4.153 4.340 0.008 0.000 0.247 80 R C 2.353 178.548 176.300 -0.175 0.000 1.159 80 R CA 1.663 57.568 56.100 -0.324 0.000 0.988 80 R CB -0.816 28.990 30.300 -0.822 0.000 0.871 80 R HN 0.238 nan 8.270 nan 0.000 0.458 81 L N 0.760 121.871 121.223 -0.187 0.000 1.994 81 L HA -0.172 4.173 4.340 0.008 0.000 0.208 81 L C 2.558 179.407 176.870 -0.034 0.000 1.071 81 L CA 2.300 57.088 54.840 -0.087 0.000 0.745 81 L CB -0.900 41.124 42.059 -0.058 0.000 0.892 81 L HN 0.419 nan 8.230 nan 0.000 0.431 82 R N 0.227 120.729 120.500 0.004 0.000 2.082 82 R HA -0.217 4.128 4.340 0.008 0.000 0.234 82 R C 2.009 178.328 176.300 0.033 0.000 1.136 82 R CA 2.045 58.160 56.100 0.026 0.000 0.935 82 R CB -0.260 30.081 30.300 0.069 0.000 0.842 82 R HN 0.457 nan 8.270 nan 0.000 0.430 83 E N 0.584 120.826 120.200 0.071 0.000 2.045 83 E HA -0.276 4.079 4.350 0.008 0.000 0.212 83 E C 2.209 178.823 176.600 0.025 0.000 1.039 83 E CA 2.094 58.534 56.400 0.066 0.000 0.860 83 E CB -0.434 29.337 29.700 0.119 0.000 0.776 83 E HN 0.429 nan 8.360 nan 0.000 0.467 84 I N 0.618 121.191 120.570 0.005 0.000 2.087 84 I HA -0.315 3.860 4.170 0.008 0.000 0.240 84 I C 2.654 178.760 176.117 -0.018 0.000 1.054 84 I CA 0.935 62.225 61.300 -0.018 0.000 1.311 84 I CB -0.403 37.572 38.000 -0.041 0.000 1.024 84 I HN 0.138 nan 8.210 nan 0.000 0.402 85 L N 1.187 122.398 121.223 -0.020 0.000 2.034 85 L HA -0.307 4.038 4.340 0.008 0.000 0.217 85 L C 2.834 179.692 176.870 -0.019 0.000 1.077 85 L CA 2.833 57.658 54.840 -0.024 0.000 0.769 85 L CB -1.190 40.847 42.059 -0.037 0.000 0.890 85 L HN 0.425 nan 8.230 nan 0.000 0.435 86 E N -0.820 119.374 120.200 -0.011 0.000 2.033 86 E HA -0.038 4.317 4.350 0.008 0.000 0.189 86 E C 1.856 178.453 176.600 -0.004 0.000 0.979 86 E CA 1.018 57.414 56.400 -0.006 0.000 0.802 86 E CB -1.235 28.466 29.700 0.001 0.000 0.763 86 E HN 0.630 nan 8.360 nan 0.000 0.449 87 E N -0.296 119.903 120.200 -0.002 0.000 2.385 87 E HA 0.437 4.792 4.350 0.008 0.000 0.201 87 E C 0.320 176.914 176.600 -0.011 0.000 1.250 87 E CA 0.520 56.918 56.400 -0.004 0.000 1.104 87 E CB -1.114 28.586 29.700 0.000 0.000 1.174 87 E HN 0.421 nan 8.360 nan 0.000 0.461 88 L N -0.100 121.114 121.223 -0.014 0.000 2.362 88 L HA 0.506 4.851 4.340 0.008 0.000 0.275 88 L C 0.338 177.198 176.870 -0.017 0.000 0.998 88 L CA -0.701 54.125 54.840 -0.023 0.000 0.820 88 L CB 2.167 44.209 42.059 -0.028 0.000 1.270 88 L HN 0.050 nan 8.230 nan 0.000 0.415 89 S N 3.668 119.355 115.700 -0.021 0.000 2.558 89 S HA -0.026 4.448 4.470 0.008 0.000 0.297 89 S C 1.452 176.049 174.600 -0.005 0.000 1.283 89 S CA 0.093 58.285 58.200 -0.012 0.000 1.044 89 S CB 0.177 63.363 63.200 -0.024 0.000 0.789 89 S HN 0.755 nan 8.310 nan 0.000 0.500 90 L N 2.695 123.924 121.223 0.011 0.000 1.994 90 L HA -0.112 4.233 4.340 0.008 0.000 0.208 90 L C 2.462 179.344 176.870 0.020 0.000 1.071 90 L CA 2.137 56.990 54.840 0.021 0.000 0.745 90 L CB -0.878 41.203 42.059 0.038 0.000 0.892 90 L HN 0.885 nan 8.230 nan 0.000 0.431 91 D N -0.845 119.565 120.400 0.016 0.000 2.182 91 D HA -0.247 4.398 4.640 0.008 0.000 0.201 91 D C 1.456 177.757 176.300 0.001 0.000 0.986 91 D CA 1.320 55.327 54.000 0.012 0.000 0.847 91 D CB -0.449 40.352 40.800 0.002 0.000 0.942 91 D HN 0.273 nan 8.370 nan 0.000 0.467 92 D N 0.171 120.561 120.400 -0.017 0.000 2.123 92 D HA -0.071 4.574 4.640 0.008 0.000 0.200 92 D C 2.217 178.507 176.300 -0.016 0.000 0.976 92 D CA 0.319 54.296 54.000 -0.037 0.000 0.831 92 D CB -0.377 40.378 40.800 -0.075 0.000 0.974 92 D HN 0.192 nan 8.370 nan 0.000 0.469 93 L N 1.166 122.385 121.223 -0.006 0.000 2.012 93 L HA -0.146 4.199 4.340 0.008 0.000 0.210 93 L C 2.136 179.023 176.870 0.028 0.000 1.073 93 L CA 1.957 56.800 54.840 0.004 0.000 0.748 93 L CB -0.726 41.334 42.059 0.002 0.000 0.891 93 L HN -0.024 nan 8.230 nan 0.000 0.431 94 A N -0.769 122.074 122.820 0.039 0.000 1.908 94 A HA -0.256 4.069 4.320 0.008 0.000 0.218 94 A C 1.954 179.581 177.584 0.071 0.000 1.181 94 A CA 2.026 54.103 52.037 0.067 0.000 0.627 94 A CB -0.934 18.107 19.000 0.068 0.000 0.818 94 A HN 0.556 nan 8.150 nan 0.000 0.445 95 D N 0.034 120.461 120.400 0.045 0.000 2.095 95 D HA -0.077 4.568 4.640 0.008 0.000 0.192 95 D C 2.288 178.621 176.300 0.054 0.000 0.990 95 D CA 1.920 55.944 54.000 0.040 0.000 0.836 95 D CB -0.758 40.051 40.800 0.015 0.000 0.979 95 D HN 0.382 nan 8.370 nan 0.000 0.447 96 A N 0.685 123.531 122.820 0.044 0.000 2.042 96 A HA -0.201 4.124 4.320 0.008 0.000 0.222 96 A C 2.337 179.977 177.584 0.095 0.000 1.167 96 A CA 1.130 53.202 52.037 0.059 0.000 0.649 96 A CB -0.749 18.273 19.000 0.038 0.000 0.809 96 A HN 0.242 nan 8.150 nan 0.000 0.457 97 L N -1.367 119.924 121.223 0.114 0.000 2.007 97 L HA -0.225 4.120 4.340 0.008 0.000 0.205 97 L C 2.887 179.913 176.870 0.260 0.000 1.073 97 L CA 1.918 56.888 54.840 0.215 0.000 0.744 97 L CB -0.905 41.299 42.059 0.242 0.000 0.898 97 L HN 0.530 nan 8.230 nan 0.000 0.435 98 Q N -0.150 119.737 119.800 0.145 0.000 2.170 98 Q HA -0.158 4.187 4.340 0.008 0.000 0.203 98 Q C 2.212 178.235 176.000 0.037 0.000 0.976 98 Q CA 1.470 57.297 55.803 0.039 0.000 0.858 98 Q CB -0.291 28.459 28.738 0.020 0.000 0.907 98 Q HN 0.516 nan 8.270 nan 0.000 0.433 99 A N 0.181 123.043 122.820 0.069 0.000 2.125 99 A HA -0.080 4.245 4.320 0.008 0.000 0.219 99 A C 2.109 179.744 177.584 0.085 0.000 1.156 99 A CA 0.995 53.072 52.037 0.067 0.000 0.671 99 A CB -0.112 18.932 19.000 0.072 0.000 0.794 99 A HN 0.231 nan 8.150 nan 0.000 0.459 100 V N -1.271 118.717 119.914 0.123 0.000 2.949 100 V HA -0.007 4.118 4.120 0.008 0.000 0.245 100 V C 2.365 178.538 176.094 0.131 0.000 1.086 100 V CA 0.904 63.301 62.300 0.162 0.000 1.097 100 V CB -0.449 31.515 31.823 0.235 0.000 0.762 100 V HN 0.517 nan 8.190 nan 0.000 0.470 101 R N 0.641 121.167 120.500 0.044 0.000 2.127 101 R HA -0.199 4.146 4.340 0.008 0.000 0.238 101 R C 2.463 178.710 176.300 -0.089 0.000 1.134 101 R CA 2.023 58.023 56.100 -0.166 0.000 0.975 101 R CB -0.181 29.815 30.300 -0.505 0.000 0.865 101 R HN 0.570 nan 8.270 nan 0.000 0.447 102 K N 0.281 120.657 120.400 -0.039 0.000 2.021 102 K HA -0.070 4.255 4.320 0.008 0.000 0.205 102 K C 2.158 178.761 176.600 0.006 0.000 1.047 102 K CA 1.645 57.920 56.287 -0.020 0.000 0.943 102 K CB -1.217 31.279 32.500 -0.006 0.000 0.725 102 K HN 0.474 nan 8.250 nan 0.000 0.439 103 E N 0.668 120.886 120.200 0.029 0.000 2.047 103 E HA -0.038 4.317 4.350 0.008 0.000 0.191 103 E C 0.657 177.283 176.600 0.043 0.000 0.987 103 E CA 1.299 57.721 56.400 0.035 0.000 0.799 103 E CB -0.077 29.650 29.700 0.044 0.000 0.752 103 E HN 0.680 nan 8.360 nan 0.000 0.449 104 D N -1.629 118.816 120.400 0.076 0.000 2.429 104 D HA 0.308 4.953 4.640 0.008 0.000 0.255 104 D C -2.318 174.068 176.300 0.143 0.000 1.257 104 D CA -1.563 52.496 54.000 0.099 0.000 0.890 104 D CB 1.686 42.556 40.800 0.116 0.000 1.267 104 D HN -0.102 nan 8.370 nan 0.000 0.521 105 P HA -0.194 nan 4.420 nan 0.000 0.218 105 P C 1.070 178.481 177.300 0.184 0.000 1.146 105 P CA 0.942 64.093 63.100 0.086 0.000 0.820 105 P CB 0.321 32.035 31.700 0.022 0.000 0.778 106 A N -1.333 121.586 122.820 0.164 0.000 1.841 106 A HA -0.224 4.101 4.320 0.008 0.000 0.214 106 A C 2.280 180.008 177.584 0.240 0.000 1.195 106 A CA 1.422 53.563 52.037 0.173 0.000 0.611 106 A CB -1.878 17.201 19.000 0.132 0.000 0.835 106 A HN 0.171 nan 8.150 nan 0.000 0.443 107 Y N -1.153 119.204 120.300 0.096 0.000 2.256 107 Y HA -0.263 4.292 4.550 0.008 0.000 0.288 107 Y C 2.093 178.048 175.900 0.092 0.000 1.155 107 Y CA 1.581 59.726 58.100 0.075 0.000 1.203 107 Y CB -0.258 38.240 38.460 0.063 0.000 0.980 107 Y HN 0.436 nan 8.280 nan 0.000 0.530 108 F N 1.215 121.196 119.950 0.051 0.000 2.085 108 F HA -0.387 4.145 4.527 0.008 0.000 0.299 108 F C 2.273 178.030 175.800 -0.072 0.000 1.096 108 F CA 2.563 60.548 58.000 -0.025 0.000 1.227 108 F CB -0.601 38.407 39.000 0.013 0.000 0.983 108 F HN 0.111 nan 8.300 nan 0.000 0.482 109 Q N -0.248 119.450 119.800 -0.171 0.000 2.402 109 Q HA 0.095 4.440 4.340 0.008 0.000 0.206 109 Q C 2.122 177.991 176.000 -0.218 0.000 0.919 109 Q CA 0.844 56.464 55.803 -0.306 0.000 0.923 109 Q CB 0.035 28.774 28.738 0.002 0.000 1.048 109 Q HN 0.446 nan 8.270 nan 0.000 0.515 110 R N 0.253 120.654 120.500 -0.166 0.000 2.299 110 R HA 0.147 4.492 4.340 0.008 0.000 0.197 110 R C 1.423 177.550 176.300 -0.288 0.000 0.971 110 R CA 0.882 56.891 56.100 -0.152 0.000 1.030 110 R CB -0.666 29.616 30.300 -0.029 0.000 0.932 110 R HN 0.428 nan 8.270 nan 0.000 0.477 111 L N -1.240 119.729 121.223 -0.422 0.000 2.575 111 L HA 0.286 4.631 4.340 0.008 0.000 0.228 111 L C 1.554 178.227 176.870 -0.328 0.000 1.075 111 L CA 0.369 54.936 54.840 -0.455 0.000 0.867 111 L CB 0.441 42.133 42.059 -0.612 0.000 1.097 111 L HN 0.154 nan 8.230 nan 0.000 0.485 112 K N 0.413 120.588 120.400 -0.375 0.000 2.555 112 K HA -0.023 4.301 4.320 0.008 0.000 0.193 112 K C 1.273 177.757 176.600 -0.193 0.000 1.032 112 K CA 0.892 56.996 56.287 -0.306 0.000 1.004 112 K CB -0.237 32.018 32.500 -0.409 0.000 0.804 112 K HN 0.603 nan 8.250 nan 0.000 0.496 113 D N 0.941 121.236 120.400 -0.175 0.000 2.333 113 D HA 0.063 4.708 4.640 0.008 0.000 0.208 113 D C 1.560 177.810 176.300 -0.083 0.000 0.984 113 D CA 0.203 54.138 54.000 -0.109 0.000 0.873 113 D CB -0.246 40.499 40.800 -0.092 0.000 0.935 113 D HN 0.084 nan 8.370 nan 0.000 0.521 114 L N -0.407 120.757 121.223 -0.099 0.000 2.612 114 L HA 0.252 4.597 4.340 0.008 0.000 0.230 114 L C -0.219 176.620 176.870 -0.052 0.000 1.140 114 L CA -0.152 54.650 54.840 -0.063 0.000 0.896 114 L CB 0.136 42.154 42.059 -0.069 0.000 1.065 114 L HN 0.176 nan 8.230 nan 0.000 0.447 115 L N 0.056 121.240 121.223 -0.065 0.000 2.334 115 L HA 0.293 4.637 4.340 0.008 0.000 0.270 115 L C 0.023 176.872 176.870 -0.035 0.000 1.018 115 L CA -0.580 54.230 54.840 -0.051 0.000 0.811 115 L CB 1.327 43.346 42.059 -0.067 0.000 1.271 115 L HN 0.038 nan 8.230 nan 0.000 0.443 116 D N 2.090 122.477 120.400 -0.022 0.000 2.225 116 D HA 0.195 4.840 4.640 0.008 0.000 0.248 116 D C -2.112 174.181 176.300 -0.012 0.000 1.096 116 D CA -1.589 52.403 54.000 -0.013 0.000 0.863 116 D CB 1.512 42.309 40.800 -0.006 0.000 1.156 116 D HN 0.297 nan 8.370 nan 0.000 0.450 117 P HA -0.295 nan 4.420 nan 0.000 0.219 117 P C 1.304 178.604 177.300 0.000 0.000 1.149 117 P CA 2.060 65.156 63.100 -0.007 0.000 0.835 117 P CB -0.002 31.696 31.700 -0.003 0.000 0.778 118 R N -0.393 120.109 120.500 0.004 0.000 2.066 118 R HA 0.032 4.377 4.340 0.008 0.000 0.224 118 R C 2.455 178.764 176.300 0.014 0.000 1.122 118 R CA 1.939 58.046 56.100 0.012 0.000 0.974 118 R CB -2.146 28.162 30.300 0.013 0.000 0.871 118 R HN 0.164 nan 8.270 nan 0.000 0.435 119 T N 0.196 114.755 114.554 0.007 0.000 2.684 119 T HA -0.101 4.254 4.350 0.008 0.000 0.267 119 T C 2.535 177.237 174.700 0.004 0.000 1.036 119 T CA 2.512 64.616 62.100 0.007 0.000 1.148 119 T CB -0.383 68.484 68.868 -0.001 0.000 0.863 119 T HN 0.682 nan 8.240 nan 0.000 0.436 120 R N 0.710 121.205 120.500 -0.010 0.000 2.328 120 R HA 0.392 4.737 4.340 0.008 0.000 0.207 120 R C 2.321 178.621 176.300 -0.000 0.000 1.056 120 R CA 1.556 57.644 56.100 -0.020 0.000 1.016 120 R CB -1.299 28.975 30.300 -0.042 0.000 0.872 120 R HN 0.557 nan 8.270 nan 0.000 0.471 121 A N 1.317 124.144 122.820 0.012 0.000 1.843 121 A HA -0.061 4.264 4.320 0.008 0.000 0.213 121 A C 2.057 179.666 177.584 0.040 0.000 1.202 121 A CA 1.065 53.117 52.037 0.024 0.000 0.607 121 A CB -0.126 18.889 19.000 0.026 0.000 0.847 121 A HN 0.517 nan 8.150 nan 0.000 0.445 122 E N 0.172 120.402 120.200 0.049 0.000 2.160 122 E HA -0.136 4.219 4.350 0.008 0.000 0.195 122 E C 2.106 178.749 176.600 0.072 0.000 0.991 122 E CA 1.246 57.688 56.400 0.069 0.000 0.810 122 E CB -0.711 29.032 29.700 0.073 0.000 0.742 122 E HN 0.352 nan 8.360 nan 0.000 0.466 123 V N 2.276 122.223 119.914 0.055 0.000 2.270 123 V HA -0.226 3.899 4.120 0.008 0.000 0.245 123 V C 2.325 178.465 176.094 0.076 0.000 1.043 123 V CA 1.756 64.094 62.300 0.062 0.000 1.014 123 V CB -0.370 31.476 31.823 0.037 0.000 0.645 123 V HN 0.189 nan 8.190 nan 0.000 0.447 124 E N 0.509 120.744 120.200 0.059 0.000 2.097 124 E HA -0.265 4.090 4.350 0.008 0.000 0.196 124 E C 2.215 178.839 176.600 0.040 0.000 1.000 124 E CA 1.747 58.183 56.400 0.061 0.000 0.804 124 E CB -0.516 29.207 29.700 0.039 0.000 0.740 124 E HN 0.609 nan 8.360 nan 0.000 0.454 125 A N 0.668 123.516 122.820 0.047 0.000 2.067 125 A HA 0.012 4.337 4.320 0.008 0.000 0.217 125 A C 2.246 179.891 177.584 0.101 0.000 1.156 125 A CA 0.461 52.522 52.037 0.040 0.000 0.683 125 A CB -0.249 18.802 19.000 0.085 0.000 0.808 125 A HN 0.123 nan 8.150 nan 0.000 0.455 126 L N -1.315 119.994 121.223 0.143 0.000 2.168 126 L HA -0.022 4.323 4.340 0.008 0.000 0.203 126 L C 3.014 179.991 176.870 0.179 0.000 1.078 126 L CA 0.950 55.923 54.840 0.222 0.000 0.780 126 L CB -0.465 41.681 42.059 0.145 0.000 0.939 126 L HN 0.427 nan 8.230 nan 0.000 0.451 127 A N 0.601 123.483 122.820 0.103 0.000 1.933 127 A HA -0.254 4.071 4.320 0.008 0.000 0.218 127 A C 2.615 180.205 177.584 0.011 0.000 1.175 127 A CA 1.986 54.067 52.037 0.072 0.000 0.628 127 A CB -0.828 18.227 19.000 0.092 0.000 0.814 127 A HN 0.405 nan 8.150 nan 0.000 0.444 128 R N -1.291 119.168 120.500 -0.069 0.000 2.226 128 R HA -0.112 4.233 4.340 0.008 0.000 0.246 128 R C 0.738 176.889 176.300 -0.247 0.000 1.161 128 R CA 1.590 57.571 56.100 -0.199 0.000 0.997 128 R CB -1.447 28.659 30.300 -0.322 0.000 0.870 128 R HN 0.640 nan 8.270 nan 0.000 0.465 129 Y N 0.713 121.013 120.300 0.001 0.000 2.307 129 Y HA 0.352 4.907 4.550 0.009 0.000 0.324 129 Y C 0.631 176.526 175.900 -0.008 0.000 1.238 129 Y CA -1.268 56.829 58.100 -0.005 0.000 1.280 129 Y CB 1.053 39.508 38.460 -0.007 0.000 1.248 129 Y HN 0.155 nan 8.280 nan 0.000 0.508 130 E N 2.135 122.437 120.200 0.170 0.000 2.290 130 E HA 0.012 4.367 4.350 0.008 0.000 0.277 130 E C 0.638 177.278 176.600 0.065 0.000 1.035 130 E CA 0.081 56.530 56.400 0.082 0.000 0.873 130 E CB 0.757 30.492 29.700 0.058 0.000 1.029 130 E HN 0.762 nan 8.360 nan 0.000 0.419 131 E N 1.801 122.027 120.200 0.044 0.000 2.169 131 E HA -0.248 4.107 4.350 0.008 0.000 0.202 131 E C 0.536 177.148 176.600 0.021 0.000 1.016 131 E CA 1.600 58.020 56.400 0.033 0.000 0.817 131 E CB 0.126 29.840 29.700 0.024 0.000 0.736 131 E HN 0.436 nan 8.360 nan 0.000 0.462 132 D N 0.047 120.458 120.400 0.018 0.000 2.388 132 D HA 0.050 4.695 4.640 0.008 0.000 0.221 132 D C 0.259 176.560 176.300 0.001 0.000 1.133 132 D CA 0.041 54.045 54.000 0.007 0.000 0.831 132 D CB 0.085 40.889 40.800 0.006 0.000 0.962 132 D HN -0.040 nan 8.370 nan 0.000 0.502 133 E N 0.072 120.277 120.200 0.008 0.000 2.239 133 E HA 0.497 4.852 4.350 0.008 0.000 0.261 133 E C 0.999 177.579 176.600 -0.035 0.000 1.016 133 E CA -0.600 55.798 56.400 -0.004 0.000 0.882 133 E CB 1.537 31.252 29.700 0.025 0.000 1.190 133 E HN 0.039 nan 8.360 nan 0.000 0.415 134 A N 1.397 124.178 122.820 -0.064 0.000 1.873 134 A HA -0.186 4.139 4.320 0.008 0.000 0.218 134 A C 2.011 179.505 177.584 -0.150 0.000 1.193 134 A CA 2.448 54.424 52.037 -0.102 0.000 0.629 134 A CB -1.305 17.625 19.000 -0.116 0.000 0.826 134 A HN 0.695 nan 8.150 nan 0.000 0.447 135 G N -0.926 107.735 108.800 -0.232 0.000 2.462 135 G HA2 -0.004 3.961 3.960 0.008 0.000 0.220 135 G HA3 -0.004 3.961 3.960 0.008 0.000 0.220 135 G C 1.455 176.260 174.900 -0.158 0.000 1.121 135 G CA 1.356 46.203 45.100 -0.421 0.000 0.758 135 G HN 0.772 nan 8.290 nan 0.000 0.559 136 G N 1.336 110.114 108.800 -0.037 0.000 2.433 136 G HA2 -0.124 3.841 3.960 0.008 0.000 0.216 136 G HA3 -0.124 3.841 3.960 0.008 0.000 0.216 136 G C 1.677 176.575 174.900 -0.004 0.000 1.186 136 G CA 1.022 46.135 45.100 0.022 0.000 0.779 136 G HN 0.696 nan 8.290 nan 0.000 0.543 137 L N -0.398 120.806 121.223 -0.031 0.000 2.611 137 L HA 0.504 4.849 4.340 0.008 0.000 0.229 137 L C 1.314 178.159 176.870 -0.041 0.000 1.137 137 L CA -0.374 54.449 54.840 -0.029 0.000 0.901 137 L CB -0.393 41.649 42.059 -0.029 0.000 1.098 137 L HN 0.290 nan 8.230 nan 0.000 0.456 138 M N -0.290 119.271 119.600 -0.065 0.000 2.368 138 M HA 0.605 5.090 4.480 0.008 0.000 0.311 138 M C -0.212 176.061 176.300 -0.044 0.000 1.168 138 M CA -0.091 55.161 55.300 -0.079 0.000 1.044 138 M CB 1.718 34.227 32.600 -0.150 0.000 1.506 138 M HN -0.014 nan 8.290 nan 0.000 0.475 139 T N 0.186 114.721 114.554 -0.031 0.000 2.900 139 T HA 0.648 5.003 4.350 0.008 0.000 0.295 139 T C -2.513 172.219 174.700 0.053 0.000 1.044 139 T CA -1.628 60.483 62.100 0.019 0.000 0.995 139 T CB 1.866 70.758 68.868 0.040 0.000 1.072 139 T HN 0.626 nan 8.240 nan 0.000 0.473 140 P HA 0.270 nan 4.420 nan 0.000 0.257 140 P C -0.048 177.507 177.300 0.425 0.000 1.325 140 P CA 0.098 63.365 63.100 0.278 0.000 0.850 140 P CB 0.014 31.839 31.700 0.207 0.000 1.324 141 E N 0.267 120.631 120.200 0.274 0.000 2.320 141 E HA 0.065 4.420 4.350 0.008 0.000 0.234 141 E C -0.283 176.444 176.600 0.212 0.000 1.290 141 E CA -0.528 55.976 56.400 0.172 0.000 1.545 141 E CB -0.516 29.241 29.700 0.095 0.000 1.379 141 E HN 0.460 nan 8.360 nan 0.000 0.437 142 Y N -2.383 117.961 120.300 0.073 0.000 2.320 142 Y HA 0.509 5.063 4.550 0.007 0.000 0.324 142 Y C 0.051 176.024 175.900 0.122 0.000 1.190 142 Y CA -1.579 56.595 58.100 0.122 0.000 1.215 142 Y CB 0.676 39.225 38.460 0.149 0.000 1.221 142 Y HN -0.303 nan 8.280 nan 0.000 0.486 143 V N 3.688 123.634 119.914 0.053 0.000 2.432 143 V HA 0.675 4.800 4.120 0.008 0.000 0.275 143 V C 0.147 176.295 176.094 0.090 0.000 1.043 143 V CA -0.277 61.999 62.300 -0.041 0.000 0.925 143 V CB 0.410 32.204 31.823 -0.049 0.000 0.985 143 V HN 1.007 nan 8.190 nan 0.000 0.466 144 A N 5.095 127.958 122.820 0.073 0.000 2.413 144 A HA 0.996 5.321 4.320 0.008 0.000 0.307 144 A C -0.641 177.067 177.584 0.207 0.000 1.087 144 A CA -0.493 51.652 52.037 0.179 0.000 0.750 144 A CB 2.127 21.224 19.000 0.161 0.000 1.296 144 A HN 1.292 nan 8.150 nan 0.000 0.423 145 V N -3.523 116.474 119.914 0.139 0.000 3.182 145 V HA 1.026 5.151 4.120 0.008 0.000 0.308 145 V C -0.055 176.045 176.094 0.009 0.000 1.240 145 V CA -0.542 61.781 62.300 0.039 0.000 1.063 145 V CB 0.789 32.649 31.823 0.060 0.000 1.076 145 V HN 1.702 nan 8.190 nan 0.000 0.446 146 R N 0.373 120.847 120.500 -0.044 0.000 2.668 146 R HA 0.696 5.041 4.340 0.008 0.000 0.279 146 R C 0.924 177.213 176.300 -0.019 0.000 0.976 146 R CA 0.044 56.127 56.100 -0.028 0.000 0.978 146 R CB 0.546 30.814 30.300 -0.053 0.000 1.133 146 R HN 1.054 nan 8.270 nan 0.000 0.484 147 E N 0.925 121.121 120.200 -0.006 0.000 2.204 147 E HA -0.067 4.288 4.350 0.008 0.000 0.194 147 E C 1.119 177.712 176.600 -0.012 0.000 0.989 147 E CA 1.261 57.660 56.400 -0.002 0.000 0.824 147 E CB -0.160 29.543 29.700 0.006 0.000 0.756 147 E HN 0.758 nan 8.360 nan 0.000 0.477 148 G N 1.687 110.474 108.800 -0.021 0.000 3.263 148 G HA2 0.263 4.228 3.960 0.008 0.000 0.246 148 G HA3 0.263 4.228 3.960 0.008 0.000 0.246 148 G C 0.067 174.946 174.900 -0.036 0.000 0.982 148 G CA -0.099 44.985 45.100 -0.026 0.000 1.897 148 G HN 0.069 nan 8.290 nan 0.000 0.624 149 M N -0.073 119.509 119.600 -0.030 0.000 2.664 149 M HA 0.463 4.948 4.480 0.008 0.000 0.279 149 M C -0.344 175.943 176.300 -0.021 0.000 1.275 149 M CA -0.777 54.503 55.300 -0.034 0.000 0.829 149 M CB 2.723 35.297 32.600 -0.043 0.000 1.727 149 M HN 0.155 nan 8.290 nan 0.000 0.459 150 T N -2.200 112.344 114.554 -0.018 0.000 2.906 150 T HA 0.459 4.814 4.350 0.008 0.000 0.295 150 T C 0.723 175.417 174.700 -0.010 0.000 1.061 150 T CA -0.851 61.241 62.100 -0.013 0.000 1.000 150 T CB 1.513 70.373 68.868 -0.013 0.000 1.103 150 T HN 0.352 nan 8.240 nan 0.000 0.486 151 V N 1.655 121.561 119.914 -0.013 0.000 2.311 151 V HA -0.263 3.862 4.120 0.008 0.000 0.256 151 V C 2.745 178.833 176.094 -0.010 0.000 1.077 151 V CA 2.511 64.802 62.300 -0.015 0.000 1.067 151 V CB -0.982 30.827 31.823 -0.022 0.000 0.659 151 V HN 1.008 nan 8.190 nan 0.000 0.451 152 E N -0.517 119.678 120.200 -0.009 0.000 2.070 152 E HA -0.271 4.084 4.350 0.008 0.000 0.197 152 E C 2.275 178.880 176.600 0.007 0.000 1.004 152 E CA 1.780 58.177 56.400 -0.005 0.000 0.805 152 E CB -0.129 29.567 29.700 -0.006 0.000 0.744 152 E HN 0.726 nan 8.360 nan 0.000 0.451 153 E N -0.132 120.074 120.200 0.010 0.000 2.170 153 E HA -0.082 4.273 4.350 0.008 0.000 0.191 153 E C 2.175 178.820 176.600 0.076 0.000 0.981 153 E CA 0.507 56.922 56.400 0.026 0.000 0.830 153 E CB 0.325 30.021 29.700 -0.007 0.000 0.775 153 E HN 0.072 nan 8.360 nan 0.000 0.470 154 V N 1.782 121.734 119.914 0.063 0.000 2.358 154 V HA -0.249 3.876 4.120 0.008 0.000 0.246 154 V C 2.325 178.476 176.094 0.096 0.000 1.047 154 V CA 1.368 63.736 62.300 0.113 0.000 1.035 154 V CB -0.547 31.307 31.823 0.052 0.000 0.658 154 V HN 0.272 nan 8.190 nan 0.000 0.452 155 L N -0.101 121.140 121.223 0.031 0.000 2.017 155 L HA -0.183 4.162 4.340 0.008 0.000 0.208 155 L C 2.763 179.640 176.870 0.012 0.000 1.073 155 L CA 2.167 57.004 54.840 -0.005 0.000 0.745 155 L CB -0.784 41.260 42.059 -0.025 0.000 0.894 155 L HN 0.284 nan 8.230 nan 0.000 0.432 156 R N -0.002 120.522 120.500 0.039 0.000 2.117 156 R HA -0.243 4.102 4.340 0.008 0.000 0.243 156 R C 2.341 178.704 176.300 0.104 0.000 1.143 156 R CA 1.774 57.905 56.100 0.052 0.000 0.968 156 R CB -0.372 29.959 30.300 0.051 0.000 0.863 156 R HN 0.300 nan 8.270 nan 0.000 0.444 157 F N 0.461 120.391 119.950 -0.034 0.000 2.187 157 F HA -0.072 4.459 4.527 0.007 0.000 0.295 157 F C 1.761 177.539 175.800 -0.036 0.000 1.091 157 F CA 0.840 58.820 58.000 -0.033 0.000 1.308 157 F CB 0.017 38.997 39.000 -0.033 0.000 1.030 157 F HN -0.030 nan 8.300 nan 0.000 0.487 158 L N 0.391 121.501 121.223 -0.189 0.000 1.971 158 L HA -0.302 4.042 4.340 0.008 0.000 0.215 158 L C 2.568 179.301 176.870 -0.227 0.000 1.072 158 L CA 1.848 56.523 54.840 -0.274 0.000 0.758 158 L CB -0.909 41.062 42.059 -0.147 0.000 0.889 158 L HN 0.105 nan 8.230 nan 0.000 0.433 159 R N 0.147 120.569 120.500 -0.129 0.000 2.153 159 R HA -0.238 4.107 4.340 0.008 0.000 0.252 159 R C 2.110 178.349 176.300 -0.102 0.000 1.158 159 R CA 2.081 58.125 56.100 -0.094 0.000 0.975 159 R CB -0.350 29.918 30.300 -0.053 0.000 0.871 159 R HN 0.449 nan 8.270 nan 0.000 0.450 160 R N -0.952 119.474 120.500 -0.123 0.000 2.317 160 R HA 0.236 4.581 4.340 0.008 0.000 0.208 160 R C 0.948 177.148 176.300 -0.168 0.000 0.914 160 R CA 1.035 57.076 56.100 -0.098 0.000 1.060 160 R CB 0.516 30.805 30.300 -0.018 0.000 1.015 160 R HN 0.101 nan 8.270 nan 0.000 0.498 161 A N -0.275 122.374 122.820 -0.284 0.000 2.551 161 A HA 0.604 4.929 4.320 0.008 0.000 0.252 161 A C 1.826 179.284 177.584 -0.210 0.000 1.199 161 A CA 0.186 52.033 52.037 -0.317 0.000 0.972 161 A CB 0.229 18.839 19.000 -0.650 0.000 1.153 161 A HN 0.309 nan 8.150 nan 0.000 0.559 162 A N 1.774 124.496 122.820 -0.164 0.000 1.873 162 A HA 0.040 4.365 4.320 0.008 0.000 0.215 162 A C 0.212 177.764 177.584 -0.053 0.000 1.186 162 A CA 1.775 53.755 52.037 -0.096 0.000 0.616 162 A CB -1.406 17.547 19.000 -0.078 0.000 0.823 162 A HN 0.407 nan 8.150 nan 0.000 0.442 163 P HA -0.059 nan 4.420 nan 0.000 0.231 163 P C -0.661 176.626 177.300 -0.022 0.000 1.158 163 P CA 1.193 64.277 63.100 -0.027 0.000 0.763 163 P CB -0.175 31.509 31.700 -0.028 0.000 0.805 164 D N -0.721 119.659 120.400 -0.033 0.000 2.788 164 D HA 0.406 5.051 4.640 0.008 0.000 0.289 164 D C 0.114 176.404 176.300 -0.017 0.000 1.340 164 D CA -0.121 53.866 54.000 -0.022 0.000 0.831 164 D CB 0.398 41.183 40.800 -0.026 0.000 1.103 164 D HN 0.087 nan 8.370 nan 0.000 0.476 165 A N -0.123 122.692 122.820 -0.008 0.000 2.435 165 A HA 0.585 4.910 4.320 0.008 0.000 0.296 165 A C 0.776 178.384 177.584 0.040 0.000 1.147 165 A CA -0.480 51.565 52.037 0.013 0.000 0.775 165 A CB 1.702 20.701 19.000 -0.002 0.000 1.340 165 A HN -0.033 nan 8.150 nan 0.000 0.427 166 E N -0.289 119.951 120.200 0.066 0.000 2.190 166 E HA 0.134 4.489 4.350 0.008 0.000 0.191 166 E C 0.218 176.860 176.600 0.069 0.000 0.978 166 E CA 1.588 58.026 56.400 0.063 0.000 0.839 166 E CB 0.347 30.091 29.700 0.074 0.000 0.787 166 E HN 0.688 nan 8.360 nan 0.000 0.473 167 T N -0.871 113.748 114.554 0.110 0.000 3.709 167 T HA 0.257 4.612 4.350 0.008 0.000 0.378 167 T C -0.246 174.585 174.700 0.220 0.000 1.352 167 T CA -0.431 61.766 62.100 0.163 0.000 1.144 167 T CB 0.216 69.153 68.868 0.115 0.000 1.289 167 T HN 0.217 nan 8.240 nan 0.000 0.476 168 I N 1.474 122.220 120.570 0.293 0.000 3.941 168 I HA 0.368 4.543 4.170 0.008 0.000 0.335 168 I C 0.545 176.719 176.117 0.095 0.000 1.402 168 I CA -0.308 61.068 61.300 0.126 0.000 1.112 168 I CB -0.124 37.873 38.000 -0.005 0.000 1.043 168 I HN 0.470 nan 8.210 nan 0.000 0.395 169 Y N 0.817 121.111 120.300 -0.010 0.000 2.516 169 Y HA 0.169 4.724 4.550 0.008 0.000 0.291 169 Y C -0.008 175.656 175.900 -0.394 0.000 1.131 169 Y CA 0.139 58.170 58.100 -0.116 0.000 1.281 169 Y CB -0.322 38.167 38.460 0.049 0.000 1.013 169 Y HN 0.188 nan 8.280 nan 0.000 0.554 170 Y N 0.179 120.484 120.300 0.009 0.000 2.329 170 Y HA 0.427 4.981 4.550 0.008 0.000 0.328 170 Y C -0.531 175.147 175.900 -0.371 0.000 0.992 170 Y CA -1.746 56.221 58.100 -0.222 0.000 1.151 170 Y CB 1.141 39.455 38.460 -0.243 0.000 1.150 170 Y HN -0.294 nan 8.280 nan 0.000 0.450 171 I N 3.775 124.143 120.570 -0.338 0.000 2.412 171 I HA 0.354 4.529 4.170 0.008 0.000 0.296 171 I C -0.918 174.966 176.117 -0.388 0.000 0.987 171 I CA -1.464 59.691 61.300 -0.241 0.000 1.180 171 I CB 0.876 38.818 38.000 -0.097 0.000 1.340 171 I HN 0.532 nan 8.210 nan 0.000 0.455 172 Y N 3.990 124.382 120.300 0.154 0.000 2.364 172 Y HA 0.513 5.068 4.550 0.009 0.000 0.340 172 Y C 0.315 176.290 175.900 0.125 0.000 0.975 172 Y CA -1.194 56.993 58.100 0.145 0.000 1.089 172 Y CB 2.082 40.648 38.460 0.177 0.000 1.192 172 Y HN 0.398 nan 8.280 nan 0.000 0.454 173 V N 2.716 122.764 119.914 0.225 0.000 2.465 173 V HA 0.764 4.889 4.120 0.008 0.000 0.279 173 V C -0.056 176.115 176.094 0.128 0.000 1.045 173 V CA -0.845 61.539 62.300 0.141 0.000 0.938 173 V CB 0.690 32.563 31.823 0.084 0.000 0.986 173 V HN 0.639 nan 8.190 nan 0.000 0.467 174 V N 1.759 121.734 119.914 0.101 0.000 3.177 174 V HA 0.852 4.977 4.120 0.008 0.000 0.319 174 V C -0.307 175.811 176.094 0.041 0.000 1.125 174 V CA -0.323 62.023 62.300 0.076 0.000 1.029 174 V CB 1.996 33.875 31.823 0.094 0.000 1.119 174 V HN 1.076 nan 8.190 nan 0.000 0.452 175 D N 0.245 120.662 120.400 0.028 0.000 2.595 175 D HA 0.487 5.132 4.640 0.008 0.000 0.268 175 D C 1.042 177.348 176.300 0.011 0.000 1.181 175 D CA 0.337 54.345 54.000 0.014 0.000 1.085 175 D CB 0.667 41.472 40.800 0.008 0.000 1.186 175 D HN 0.752 nan 8.370 nan 0.000 0.621 176 E N -0.423 119.780 120.200 0.004 0.000 2.204 176 E HA -0.164 4.191 4.350 0.008 0.000 0.195 176 E C 1.789 178.393 176.600 0.007 0.000 0.990 176 E CA 1.579 57.981 56.400 0.002 0.000 0.821 176 E CB -0.617 29.082 29.700 -0.001 0.000 0.750 176 E HN 0.366 nan 8.360 nan 0.000 0.477 177 K N -2.274 118.132 120.400 0.009 0.000 2.242 177 K HA 0.320 4.645 4.320 0.008 0.000 0.200 177 K C 1.600 178.212 176.600 0.019 0.000 1.050 177 K CA 0.960 57.254 56.287 0.011 0.000 0.981 177 K CB 0.917 33.420 32.500 0.006 0.000 0.795 177 K HN 0.511 nan 8.250 nan 0.000 0.477 178 G N -1.750 107.063 108.800 0.022 0.000 2.425 178 G HA2 -0.143 3.822 3.960 0.008 0.000 0.177 178 G HA3 -0.143 3.822 3.960 0.008 0.000 0.177 178 G C 0.434 175.350 174.900 0.027 0.000 0.999 178 G CA -0.065 45.058 45.100 0.037 0.000 0.723 178 G HN 0.465 nan 8.290 nan 0.000 0.491 179 R N -0.369 120.135 120.500 0.006 0.000 2.944 179 R HA 0.743 5.087 4.340 0.008 0.000 0.279 179 R C 0.358 176.651 176.300 -0.012 0.000 1.048 179 R CA 0.912 57.001 56.100 -0.020 0.000 1.196 179 R CB -0.127 30.155 30.300 -0.031 0.000 1.134 179 R HN 1.186 nan 8.270 nan 0.000 0.525 180 L N -0.932 120.261 121.223 -0.049 0.000 2.322 180 L HA 0.645 4.990 4.340 0.008 0.000 0.279 180 L C 1.071 177.934 176.870 -0.013 0.000 1.036 180 L CA 0.983 55.805 54.840 -0.030 0.000 0.807 180 L CB 1.796 43.796 42.059 -0.098 0.000 1.226 180 L HN 0.923 nan 8.230 nan 0.000 0.433 181 K N 2.393 122.817 120.400 0.040 0.000 2.585 181 K HA 0.726 5.051 4.320 0.008 0.000 0.210 181 K C 0.345 176.990 176.600 0.075 0.000 1.504 181 K CA 0.470 56.784 56.287 0.044 0.000 1.029 181 K CB 0.359 32.882 32.500 0.040 0.000 1.332 181 K HN 1.131 nan 8.250 nan 0.000 0.569 182 G N -1.076 107.797 108.800 0.122 0.000 2.328 182 G HA2 0.466 4.431 3.960 0.008 0.000 0.295 182 G HA3 0.466 4.431 3.960 0.008 0.000 0.295 182 G C -1.933 173.086 174.900 0.199 0.000 1.413 182 G CA 0.302 45.487 45.100 0.142 0.000 0.817 182 G HN 0.874 nan 8.290 nan 0.000 0.546 183 V N -0.075 119.935 119.914 0.160 0.000 2.789 183 V HA 0.870 4.994 4.120 0.008 0.000 0.311 183 V C -1.025 175.062 176.094 -0.011 0.000 1.073 183 V CA -0.856 61.498 62.300 0.089 0.000 0.921 183 V CB 1.666 33.599 31.823 0.183 0.000 1.009 183 V HN 0.758 nan 8.190 nan 0.000 0.426 184 L N 5.388 126.539 121.223 -0.119 0.000 2.365 184 L HA 0.673 5.018 4.340 0.008 0.000 0.273 184 L C -0.056 176.650 176.870 -0.274 0.000 1.000 184 L CA -0.526 54.230 54.840 -0.140 0.000 0.819 184 L CB 2.399 44.388 42.059 -0.117 0.000 1.284 184 L HN 0.768 nan 8.230 nan 0.000 0.418 185 S N 1.849 117.361 115.700 -0.314 0.000 2.480 185 S HA 0.267 4.742 4.470 0.008 0.000 0.286 185 S C 0.690 175.055 174.600 -0.392 0.000 1.180 185 S CA -0.781 57.073 58.200 -0.577 0.000 1.075 185 S CB 1.615 64.519 63.200 -0.494 0.000 0.996 185 S HN 0.643 nan 8.310 nan 0.000 0.487 186 L N 3.212 124.178 121.223 -0.428 0.000 2.129 186 L HA -0.130 4.215 4.340 0.008 0.000 0.212 186 L C 2.662 179.387 176.870 -0.243 0.000 1.087 186 L CA 1.998 56.654 54.840 -0.306 0.000 0.757 186 L CB -0.622 41.214 42.059 -0.372 0.000 0.896 186 L HN 0.960 nan 8.230 nan 0.000 0.434 187 R N -0.451 119.907 120.500 -0.236 0.000 2.113 187 R HA -0.232 4.113 4.340 0.008 0.000 0.244 187 R C 1.772 178.000 176.300 -0.121 0.000 1.142 187 R CA 2.285 58.294 56.100 -0.151 0.000 0.953 187 R CB -0.630 29.602 30.300 -0.113 0.000 0.860 187 R HN 0.429 nan 8.270 nan 0.000 0.438 188 D N 0.939 121.263 120.400 -0.127 0.000 2.097 188 D HA -0.137 4.508 4.640 0.008 0.000 0.195 188 D C 1.877 178.126 176.300 -0.085 0.000 0.989 188 D CA 1.091 55.036 54.000 -0.091 0.000 0.827 188 D CB -0.301 40.448 40.800 -0.086 0.000 0.966 188 D HN 0.297 nan 8.370 nan 0.000 0.456 189 L N 0.499 121.658 121.223 -0.106 0.000 2.721 189 L HA -0.020 4.325 4.340 0.008 0.000 0.241 189 L C 1.539 178.359 176.870 -0.083 0.000 1.168 189 L CA 0.376 55.163 54.840 -0.089 0.000 0.866 189 L CB -0.110 41.889 42.059 -0.101 0.000 0.996 189 L HN 0.076 nan 8.230 nan 0.000 0.451 190 I N -1.600 118.919 120.570 -0.085 0.000 4.592 190 I HA -0.051 4.124 4.170 0.008 0.000 0.329 190 I C 1.622 177.705 176.117 -0.056 0.000 1.309 190 I CA 0.234 61.489 61.300 -0.075 0.000 1.243 190 I CB 0.968 38.912 38.000 -0.093 0.000 1.241 190 I HN 0.065 nan 8.210 nan 0.000 0.434 191 V N -1.913 117.970 119.914 -0.052 0.000 3.643 191 V HA 0.514 4.639 4.120 0.008 0.000 0.280 191 V C 0.957 177.031 176.094 -0.032 0.000 1.351 191 V CA -0.124 62.153 62.300 -0.038 0.000 1.073 191 V CB -0.394 31.409 31.823 -0.035 0.000 0.863 191 V HN 0.095 nan 8.190 nan 0.000 0.436 192 A N 0.641 123.439 122.820 -0.036 0.000 2.246 192 A HA 0.590 4.915 4.320 0.008 0.000 0.291 192 A C -0.409 177.159 177.584 -0.026 0.000 1.103 192 A CA -0.198 51.821 52.037 -0.029 0.000 0.844 192 A CB 0.494 19.474 19.000 -0.032 0.000 1.136 192 A HN 0.390 nan 8.150 nan 0.000 0.500 193 D N -0.140 120.247 120.400 -0.021 0.000 2.225 193 D HA 0.378 5.023 4.640 0.008 0.000 0.248 193 D C -1.418 174.871 176.300 -0.018 0.000 1.096 193 D CA -1.787 52.202 54.000 -0.018 0.000 0.863 193 D CB 1.191 41.983 40.800 -0.014 0.000 1.156 193 D HN 0.129 nan 8.370 nan 0.000 0.450 194 P HA -0.200 nan 4.420 nan 0.000 0.218 194 P C 1.055 178.347 177.300 -0.014 0.000 1.146 194 P CA 1.263 64.352 63.100 -0.017 0.000 0.813 194 P CB 0.186 31.876 31.700 -0.016 0.000 0.778 195 R N 0.320 120.812 120.500 -0.013 0.000 2.210 195 R HA 0.056 4.401 4.340 0.008 0.000 0.203 195 R C 1.594 177.888 176.300 -0.011 0.000 1.010 195 R CA 1.230 57.323 56.100 -0.011 0.000 1.008 195 R CB -1.883 28.412 30.300 -0.010 0.000 0.923 195 R HN 0.475 nan 8.270 nan 0.000 0.469 196 T N -1.325 113.222 114.554 -0.012 0.000 2.926 196 T HA 0.461 4.816 4.350 0.008 0.000 0.307 196 T C 0.854 175.548 174.700 -0.011 0.000 1.059 196 T CA 0.236 62.330 62.100 -0.011 0.000 1.122 196 T CB 0.577 69.439 68.868 -0.011 0.000 0.972 196 T HN 0.836 nan 8.240 nan 0.000 0.545 197 R N 1.894 122.389 120.500 -0.009 0.000 2.893 197 R HA 0.404 4.749 4.340 0.008 0.000 0.279 197 R C 1.602 177.897 176.300 -0.009 0.000 1.076 197 R CA 0.400 56.495 56.100 -0.009 0.000 1.203 197 R CB -0.854 29.442 30.300 -0.006 0.000 1.137 197 R HN 0.718 nan 8.270 nan 0.000 0.541 198 V N -0.114 119.795 119.914 -0.008 0.000 2.575 198 V HA 0.103 4.228 4.120 0.008 0.000 0.242 198 V C 2.621 178.715 176.094 -0.001 0.000 1.045 198 V CA 1.599 63.895 62.300 -0.006 0.000 1.065 198 V CB -0.159 31.661 31.823 -0.006 0.000 0.717 198 V HN 1.014 nan 8.190 nan 0.000 0.467 199 A N -0.022 122.800 122.820 0.003 0.000 2.264 199 A HA 0.067 4.392 4.320 0.008 0.000 0.207 199 A C 1.940 179.529 177.584 0.009 0.000 1.196 199 A CA 1.430 53.473 52.037 0.009 0.000 0.778 199 A CB -0.631 18.375 19.000 0.010 0.000 0.779 199 A HN 0.638 nan 8.150 nan 0.000 0.483 200 E N 0.334 120.536 120.200 0.004 0.000 2.075 200 E HA 0.019 4.374 4.350 0.008 0.000 0.190 200 E C 1.670 178.273 176.600 0.005 0.000 0.969 200 E CA 1.139 57.541 56.400 0.004 0.000 0.815 200 E CB -0.511 29.188 29.700 -0.001 0.000 0.776 200 E HN 0.836 nan 8.360 nan 0.000 0.457 201 I N -0.911 119.659 120.570 -0.001 0.000 3.860 201 I HA 0.247 4.422 4.170 0.008 0.000 0.319 201 I C 1.576 177.694 176.117 0.001 0.000 1.279 201 I CA 0.207 61.505 61.300 -0.004 0.000 1.220 201 I CB -1.218 36.771 38.000 -0.018 0.000 1.027 201 I HN 0.438 nan 8.210 nan 0.000 0.428 202 M N 1.637 121.242 119.600 0.008 0.000 1.801 202 M HA 0.327 4.812 4.480 0.008 0.000 0.211 202 M C -0.258 176.066 176.300 0.041 0.000 1.304 202 M CA 0.240 55.553 55.300 0.021 0.000 0.912 202 M CB -0.106 32.511 32.600 0.029 0.000 1.257 202 M HN 0.014 nan 8.290 nan 0.000 0.458 203 N N 0.230 118.969 118.700 0.065 0.000 2.558 203 N HA 0.409 5.154 4.740 0.008 0.000 0.285 203 N C -2.425 173.147 175.510 0.103 0.000 1.112 203 N CA -1.780 51.322 53.050 0.086 0.000 0.857 203 N CB 1.798 40.348 38.487 0.106 0.000 1.376 203 N HN 0.381 nan 8.380 nan 0.000 0.526 204 P HA -0.055 nan 4.420 nan 0.000 0.226 204 P C 0.552 177.914 177.300 0.103 0.000 1.153 204 P CA 0.808 63.959 63.100 0.084 0.000 0.777 204 P CB 0.120 31.857 31.700 0.062 0.000 0.794 205 K N 1.215 121.683 120.400 0.115 0.000 2.878 205 K HA 0.145 4.470 4.320 0.008 0.000 0.242 205 K C 0.546 177.252 176.600 0.176 0.000 0.985 205 K CA -0.002 56.366 56.287 0.136 0.000 1.168 205 K CB -1.696 30.884 32.500 0.133 0.000 0.993 205 K HN 0.137 nan 8.250 nan 0.000 0.476 206 V N 1.793 121.815 119.914 0.180 0.000 2.446 206 V HA 0.278 4.403 4.120 0.008 0.000 0.276 206 V C 0.428 176.664 176.094 0.236 0.000 1.030 206 V CA -0.418 62.017 62.300 0.225 0.000 1.033 206 V CB 0.656 32.610 31.823 0.218 0.000 0.993 206 V HN 0.554 nan 8.190 nan 0.000 0.477 207 V N 7.893 127.926 119.914 0.198 0.000 2.530 207 V HA 0.586 4.711 4.120 0.008 0.000 0.282 207 V C -0.408 175.727 176.094 0.068 0.000 1.048 207 V CA -0.073 62.235 62.300 0.012 0.000 0.997 207 V CB 0.396 31.977 31.823 -0.403 0.000 0.987 207 V HN 0.956 nan 8.190 nan 0.000 0.477 208 Y N 3.470 123.707 120.300 -0.106 0.000 2.773 208 Y HA 0.933 5.487 4.550 0.006 0.000 0.323 208 Y C -0.775 175.045 175.900 -0.134 0.000 1.183 208 Y CA -1.834 56.197 58.100 -0.115 0.000 1.144 208 Y CB 1.624 40.026 38.460 -0.098 0.000 1.340 208 Y HN 0.510 nan 8.280 nan 0.000 0.531 209 V N 1.467 121.360 119.914 -0.035 0.000 2.733 209 V HA 0.453 4.578 4.120 0.008 0.000 0.306 209 V C -0.509 175.595 176.094 0.016 0.000 1.084 209 V CA -0.920 61.302 62.300 -0.129 0.000 0.905 209 V CB 1.797 33.538 31.823 -0.138 0.000 1.010 209 V HN 0.775 nan 8.190 nan 0.000 0.424 210 R N 1.353 121.853 120.500 0.002 0.000 2.738 210 R HA 0.248 4.593 4.340 0.008 0.000 0.268 210 R C 1.525 177.798 176.300 -0.046 0.000 1.062 210 R CA 0.973 57.092 56.100 0.031 0.000 1.158 210 R CB 0.723 31.044 30.300 0.035 0.000 1.046 210 R HN 0.839 nan 8.270 nan 0.000 0.493 211 T N -0.153 114.362 114.554 -0.065 0.000 2.962 211 T HA -0.119 4.236 4.350 0.008 0.000 0.270 211 T C 0.599 175.256 174.700 -0.071 0.000 1.088 211 T CA 1.639 63.645 62.100 -0.157 0.000 1.127 211 T CB -0.238 68.490 68.868 -0.233 0.000 0.883 211 T HN 0.753 nan 8.240 nan 0.000 0.493 212 D N 0.072 120.469 120.400 -0.005 0.000 2.325 212 D HA 0.106 4.751 4.640 0.008 0.000 0.225 212 D C 0.531 176.827 176.300 -0.006 0.000 1.096 212 D CA -0.093 53.919 54.000 0.020 0.000 0.844 212 D CB -0.404 40.419 40.800 0.038 0.000 0.925 212 D HN 0.164 nan 8.370 nan 0.000 0.513 213 T N 0.485 115.020 114.554 -0.032 0.000 2.860 213 T HA 0.081 4.436 4.350 0.008 0.000 0.299 213 T C -0.267 174.409 174.700 -0.039 0.000 1.045 213 T CA -0.236 61.837 62.100 -0.045 0.000 1.071 213 T CB 0.940 69.764 68.868 -0.073 0.000 0.985 213 T HN 0.104 nan 8.240 nan 0.000 0.537 214 D N 0.940 121.318 120.400 -0.038 0.000 2.312 214 D HA 0.080 4.725 4.640 0.008 0.000 0.252 214 D C 1.304 177.583 176.300 -0.035 0.000 1.150 214 D CA 0.042 54.024 54.000 -0.030 0.000 0.870 214 D CB 0.807 41.592 40.800 -0.025 0.000 1.153 214 D HN 0.544 nan 8.370 nan 0.000 0.457 215 Q N 2.439 122.222 119.800 -0.028 0.000 2.165 215 Q HA -0.397 3.948 4.340 0.008 0.000 0.215 215 Q C 1.688 177.669 176.000 -0.031 0.000 1.010 215 Q CA 2.818 58.605 55.803 -0.028 0.000 0.896 215 Q CB 0.039 28.767 28.738 -0.017 0.000 0.956 215 Q HN 0.718 nan 8.270 nan 0.000 0.413 216 E N 0.219 120.402 120.200 -0.029 0.000 2.112 216 E HA -0.165 4.190 4.350 0.008 0.000 0.190 216 E C 1.530 178.108 176.600 -0.036 0.000 0.979 216 E CA 1.266 57.648 56.400 -0.030 0.000 0.814 216 E CB -0.528 29.156 29.700 -0.027 0.000 0.762 216 E HN 0.511 nan 8.360 nan 0.000 0.460 217 E N 0.242 120.418 120.200 -0.040 0.000 2.106 217 E HA -0.090 4.265 4.350 0.008 0.000 0.192 217 E C 2.030 178.592 176.600 -0.063 0.000 0.984 217 E CA 1.166 57.537 56.400 -0.049 0.000 0.806 217 E CB -0.320 29.349 29.700 -0.051 0.000 0.750 217 E HN 0.334 nan 8.360 nan 0.000 0.458 218 V N 0.929 120.804 119.914 -0.065 0.000 2.233 218 V HA -0.309 3.816 4.120 0.008 0.000 0.247 218 V C 2.342 178.398 176.094 -0.062 0.000 1.050 218 V CA 2.089 64.343 62.300 -0.075 0.000 1.010 218 V CB -1.085 30.697 31.823 -0.068 0.000 0.637 218 V HN 0.455 nan 8.190 nan 0.000 0.444 219 A N -0.224 122.569 122.820 -0.044 0.000 2.178 219 A HA -0.129 4.196 4.320 0.008 0.000 0.218 219 A C 2.391 179.957 177.584 -0.029 0.000 1.157 219 A CA 2.041 54.059 52.037 -0.032 0.000 0.689 219 A CB -0.644 18.341 19.000 -0.026 0.000 0.787 219 A HN 0.572 nan 8.150 nan 0.000 0.465 220 R N -0.028 120.450 120.500 -0.036 0.000 2.055 220 R HA 0.207 4.551 4.340 0.008 0.000 0.226 220 R C 2.080 178.369 176.300 -0.019 0.000 1.135 220 R CA 1.282 57.365 56.100 -0.028 0.000 0.959 220 R CB -1.308 28.973 30.300 -0.031 0.000 0.854 220 R HN 0.516 nan 8.270 nan 0.000 0.431 221 L N -0.145 121.052 121.223 -0.043 0.000 1.955 221 L HA -0.167 4.178 4.340 0.008 0.000 0.213 221 L C 3.039 179.883 176.870 -0.043 0.000 1.072 221 L CA 2.232 57.041 54.840 -0.051 0.000 0.755 221 L CB -0.448 41.480 42.059 -0.218 0.000 0.888 221 L HN 0.454 nan 8.230 nan 0.000 0.432 222 M N -0.669 118.889 119.600 -0.071 0.000 2.426 222 M HA -0.230 4.255 4.480 0.008 0.000 0.261 222 M C 1.932 178.255 176.300 0.038 0.000 1.068 222 M CA 1.796 57.092 55.300 -0.006 0.000 1.066 222 M CB -0.038 32.570 32.600 0.014 0.000 1.399 222 M HN 0.353 nan 8.290 nan 0.000 0.449 223 A N -0.387 122.444 122.820 0.017 0.000 1.911 223 A HA -0.053 4.272 4.320 0.008 0.000 0.212 223 A C 1.600 179.194 177.584 0.017 0.000 1.189 223 A CA 1.174 53.222 52.037 0.018 0.000 0.639 223 A CB -0.385 18.616 19.000 0.000 0.000 0.839 223 A HN 0.456 nan 8.150 nan 0.000 0.449 224 D N -0.477 119.932 120.400 0.014 0.000 2.077 224 D HA -0.138 4.507 4.640 0.008 0.000 0.193 224 D C 1.274 177.527 176.300 -0.079 0.000 0.989 224 D CA 1.444 55.420 54.000 -0.040 0.000 0.831 224 D CB -0.590 40.181 40.800 -0.049 0.000 0.979 224 D HN 0.521 nan 8.370 nan 0.000 0.449 225 Y N 1.087 121.267 120.300 -0.201 0.000 2.632 225 Y HA -0.041 4.513 4.550 0.005 0.000 0.301 225 Y C 0.154 176.104 175.900 0.084 0.000 1.172 225 Y CA 0.384 58.337 58.100 -0.245 0.000 1.328 225 Y CB -0.348 37.522 38.460 -0.984 0.000 1.016 225 Y HN -0.088 nan 8.280 nan 0.000 0.529 226 D N -1.637 118.882 120.400 0.198 0.000 2.882 226 D HA -0.229 4.416 4.640 0.008 0.000 0.229 226 D C -0.632 175.887 176.300 0.364 0.000 1.167 226 D CA 0.705 54.837 54.000 0.220 0.000 0.759 226 D CB -1.743 39.157 40.800 0.167 0.000 1.088 226 D HN 0.094 nan 8.370 nan 0.000 0.425 227 F N 0.025 120.007 119.950 0.052 0.000 2.471 227 F HA 0.265 4.796 4.527 0.007 0.000 0.353 227 F C 2.131 177.882 175.800 -0.083 0.000 1.113 227 F CA -0.159 57.819 58.000 -0.036 0.000 1.262 227 F CB 1.084 40.052 39.000 -0.054 0.000 1.146 227 F HN -0.159 nan 8.300 nan 0.000 0.578 228 T N 1.248 115.754 114.554 -0.080 0.000 3.040 228 T HA 0.395 4.750 4.350 0.008 0.000 0.250 228 T C -0.184 174.431 174.700 -0.142 0.000 1.058 228 T CA 0.276 62.317 62.100 -0.099 0.000 0.988 228 T CB -0.276 68.529 68.868 -0.105 0.000 0.993 228 T HN 0.191 nan 8.240 nan 0.000 0.519 229 V N 0.934 120.722 119.914 -0.210 0.000 3.147 229 V HA 0.616 4.741 4.120 0.008 0.000 0.306 229 V C -1.250 174.858 176.094 0.024 0.000 1.209 229 V CA -1.092 61.141 62.300 -0.113 0.000 1.023 229 V CB 2.450 34.184 31.823 -0.147 0.000 1.059 229 V HN 0.195 nan 8.190 nan 0.000 0.435 230 L N 2.788 124.036 121.223 0.043 0.000 2.493 230 L HA 0.550 4.894 4.340 0.008 0.000 0.265 230 L C -2.839 173.961 176.870 -0.117 0.000 0.954 230 L CA -1.485 53.377 54.840 0.035 0.000 0.844 230 L CB 3.558 45.622 42.059 0.008 0.000 1.302 230 L HN 0.461 nan 8.230 nan 0.000 0.405 231 P HA 0.277 nan 4.420 nan 0.000 0.274 231 P C -1.259 175.903 177.300 -0.229 0.000 1.237 231 P CA -0.379 62.469 63.100 -0.420 0.000 0.793 231 P CB 1.207 32.602 31.700 -0.509 0.000 0.977 232 V N 2.056 121.812 119.914 -0.264 0.000 2.569 232 V HA 0.389 4.513 4.120 0.008 0.000 0.301 232 V C 0.212 176.196 176.094 -0.183 0.000 1.044 232 V CA -0.641 61.542 62.300 -0.194 0.000 0.874 232 V CB 1.916 33.594 31.823 -0.241 0.000 1.002 232 V HN 0.469 nan 8.190 nan 0.000 0.424 233 V N 1.789 121.647 119.914 -0.093 0.000 3.096 233 V HA 0.856 4.981 4.120 0.008 0.000 0.319 233 V C -0.108 175.951 176.094 -0.059 0.000 1.103 233 V CA -0.502 61.742 62.300 -0.093 0.000 1.016 233 V CB 2.087 33.838 31.823 -0.119 0.000 1.090 233 V HN 0.822 nan 8.190 nan 0.000 0.449 234 D N 1.007 121.384 120.400 -0.038 0.000 2.446 234 D HA 0.178 4.823 4.640 0.008 0.000 0.288 234 D C 0.841 177.149 176.300 0.014 0.000 1.195 234 D CA 0.411 54.415 54.000 0.007 0.000 1.095 234 D CB -0.058 40.763 40.800 0.035 0.000 1.153 234 D HN 0.844 nan 8.370 nan 0.000 0.568 235 E N -1.082 119.134 120.200 0.026 0.000 2.502 235 E HA -0.025 4.330 4.350 0.008 0.000 0.194 235 E C 0.454 177.056 176.600 0.005 0.000 1.062 235 E CA 0.707 57.120 56.400 0.023 0.000 0.867 235 E CB -0.142 29.575 29.700 0.029 0.000 0.888 235 E HN 0.520 nan 8.360 nan 0.000 0.510 236 E N -0.785 119.409 120.200 -0.011 0.000 2.572 236 E HA 0.249 4.604 4.350 0.008 0.000 0.220 236 E C 0.864 177.429 176.600 -0.058 0.000 0.945 236 E CA 0.116 56.502 56.400 -0.024 0.000 1.070 236 E CB 1.198 30.891 29.700 -0.011 0.000 1.090 236 E HN 0.296 nan 8.360 nan 0.000 0.506 237 G N 2.196 110.942 108.800 -0.090 0.000 2.141 237 G HA2 -0.279 3.686 3.960 0.008 0.000 0.231 237 G HA3 -0.279 3.686 3.960 0.008 0.000 0.231 237 G C 0.329 175.147 174.900 -0.137 0.000 0.984 237 G CA -0.020 44.977 45.100 -0.171 0.000 0.660 237 G HN 0.074 nan 8.290 nan 0.000 0.525 238 R N -1.176 119.276 120.500 -0.081 0.000 2.783 238 R HA 0.619 4.963 4.340 0.008 0.000 0.276 238 R C -0.145 176.108 176.300 -0.079 0.000 1.223 238 R CA -0.307 55.761 56.100 -0.054 0.000 1.173 238 R CB 0.288 30.577 30.300 -0.017 0.000 1.157 238 R HN 0.311 nan 8.270 nan 0.000 0.600 239 L N 0.997 122.189 121.223 -0.051 0.000 2.345 239 L HA 0.187 4.532 4.340 0.008 0.000 0.274 239 L C 0.016 176.783 176.870 -0.171 0.000 0.999 239 L CA -0.101 54.666 54.840 -0.121 0.000 0.849 239 L CB 1.796 43.836 42.059 -0.031 0.000 1.220 239 L HN 0.536 nan 8.230 nan 0.000 0.422 240 V N 1.509 121.264 119.914 -0.264 0.000 3.528 240 V HA 0.906 5.031 4.120 0.008 0.000 0.294 240 V C 0.655 176.513 176.094 -0.394 0.000 1.404 240 V CA 0.439 62.605 62.300 -0.223 0.000 1.065 240 V CB -0.304 31.461 31.823 -0.097 0.000 0.904 240 V HN 0.837 nan 8.190 nan 0.000 0.435 241 G N 0.717 109.136 108.800 -0.636 0.000 2.313 241 G HA2 0.541 4.506 3.960 0.008 0.000 0.296 241 G HA3 0.541 4.506 3.960 0.008 0.000 0.296 241 G C -1.651 172.972 174.900 -0.462 0.000 1.356 241 G CA -0.207 44.540 45.100 -0.589 0.000 0.833 241 G HN 0.827 nan 8.290 nan 0.000 0.552 242 I N -2.804 117.610 120.570 -0.260 0.000 3.074 242 I HA 0.914 5.089 4.170 0.008 0.000 0.310 242 I C -0.884 175.182 176.117 -0.085 0.000 1.153 242 I CA -1.503 59.701 61.300 -0.160 0.000 0.993 242 I CB 2.251 40.226 38.000 -0.042 0.000 1.237 242 I HN 0.440 nan 8.210 nan 0.000 0.443 243 V N 1.568 121.442 119.914 -0.066 0.000 2.604 243 V HA 0.551 4.676 4.120 0.008 0.000 0.305 243 V C -0.039 176.044 176.094 -0.018 0.000 1.043 243 V CA -0.258 62.015 62.300 -0.044 0.000 0.888 243 V CB 2.124 33.912 31.823 -0.058 0.000 0.995 243 V HN 0.968 nan 8.190 nan 0.000 0.429 244 T N 2.584 117.131 114.554 -0.012 0.000 2.934 244 T HA 0.292 4.647 4.350 0.008 0.000 0.283 244 T C 0.882 175.576 174.700 -0.010 0.000 1.005 244 T CA -0.350 61.744 62.100 -0.010 0.000 1.041 244 T CB 2.127 70.991 68.868 -0.006 0.000 1.042 244 T HN 0.355 nan 8.240 nan 0.000 0.505 245 V N 1.468 121.375 119.914 -0.012 0.000 3.041 245 V HA -0.093 4.032 4.120 0.008 0.000 0.260 245 V C 2.040 178.132 176.094 -0.002 0.000 1.105 245 V CA 1.810 64.108 62.300 -0.004 0.000 1.125 245 V CB -0.714 31.110 31.823 0.002 0.000 0.730 245 V HN 0.964 nan 8.190 nan 0.000 0.479 246 D N -0.880 119.519 120.400 -0.002 0.000 2.144 246 D HA -0.188 4.457 4.640 0.008 0.000 0.200 246 D C 1.463 177.774 176.300 0.018 0.000 0.978 246 D CA 1.380 55.386 54.000 0.010 0.000 0.833 246 D CB -0.336 40.474 40.800 0.018 0.000 0.961 246 D HN 0.410 nan 8.370 nan 0.000 0.470 247 D N -0.030 120.375 120.400 0.009 0.000 2.271 247 D HA -0.021 4.624 4.640 0.008 0.000 0.206 247 D C 1.939 178.239 176.300 -0.000 0.000 0.967 247 D CA 0.160 54.163 54.000 0.006 0.000 0.867 247 D CB 0.157 40.954 40.800 -0.005 0.000 0.960 247 D HN 0.096 nan 8.370 nan 0.000 0.509 248 V N 0.721 120.633 119.914 -0.005 0.000 3.217 248 V HA -0.067 4.058 4.120 0.008 0.000 0.264 248 V C 1.879 177.969 176.094 -0.006 0.000 1.135 248 V CA 0.573 62.867 62.300 -0.009 0.000 1.142 248 V CB 0.052 31.867 31.823 -0.012 0.000 0.754 248 V HN 0.081 nan 8.190 nan 0.000 0.484 249 L N 0.013 121.235 121.223 -0.001 0.000 2.068 249 L HA -0.021 4.324 4.340 0.008 0.000 0.204 249 L C 2.072 178.941 176.870 -0.002 0.000 1.076 249 L CA 2.008 56.847 54.840 -0.002 0.000 0.753 249 L CB -0.772 41.288 42.059 0.001 0.000 0.910 249 L HN 0.279 nan 8.230 nan 0.000 0.439 250 D N -0.836 119.567 120.400 0.007 0.000 2.104 250 D HA -0.180 4.465 4.640 0.008 0.000 0.194 250 D C 2.360 178.660 176.300 -0.001 0.000 0.994 250 D CA 1.575 55.581 54.000 0.009 0.000 0.830 250 D CB -0.373 40.443 40.800 0.026 0.000 0.959 250 D HN 0.183 nan 8.370 nan 0.000 0.452 251 V N 1.211 121.123 119.914 -0.004 0.000 2.220 251 V HA -0.276 3.849 4.120 0.008 0.000 0.250 251 V C 2.710 178.793 176.094 -0.018 0.000 1.056 251 V CA 1.364 63.657 62.300 -0.011 0.000 1.016 251 V CB -0.630 31.184 31.823 -0.014 0.000 0.639 251 V HN 0.292 nan 8.190 nan 0.000 0.446 252 L N -0.404 120.808 121.223 -0.019 0.000 2.064 252 L HA -0.324 4.021 4.340 0.008 0.000 0.216 252 L C 2.599 179.452 176.870 -0.030 0.000 1.077 252 L CA 2.439 57.265 54.840 -0.024 0.000 0.766 252 L CB -0.624 41.423 42.059 -0.020 0.000 0.890 252 L HN 0.577 nan 8.230 nan 0.000 0.435 253 E N -0.390 119.794 120.200 -0.027 0.000 2.001 253 E HA -0.235 4.120 4.350 0.008 0.000 0.195 253 E C 2.107 178.679 176.600 -0.047 0.000 1.002 253 E CA 1.181 57.560 56.400 -0.034 0.000 0.819 253 E CB -0.037 29.648 29.700 -0.024 0.000 0.769 253 E HN 0.438 nan 8.360 nan 0.000 0.454 254 A N 1.934 124.732 122.820 -0.036 0.000 1.879 254 A HA -0.337 3.988 4.320 0.008 0.000 0.222 254 A C 1.965 179.516 177.584 -0.056 0.000 1.368 254 A CA 2.483 54.495 52.037 -0.041 0.000 0.707 254 A CB -1.214 17.775 19.000 -0.019 0.000 0.846 254 A HN 0.436 nan 8.150 nan 0.000 0.468 255 E N -0.499 119.676 120.200 -0.042 0.000 2.136 255 E HA -0.278 4.077 4.350 0.008 0.000 0.202 255 E C 2.305 178.869 176.600 -0.060 0.000 1.019 255 E CA 1.595 57.968 56.400 -0.044 0.000 0.819 255 E CB -0.684 28.995 29.700 -0.035 0.000 0.739 255 E HN 0.664 nan 8.360 nan 0.000 0.458 256 A N 0.512 123.293 122.820 -0.064 0.000 1.840 256 A HA -0.082 4.243 4.320 0.008 0.000 0.214 256 A C 2.424 179.944 177.584 -0.107 0.000 1.198 256 A CA 1.747 53.740 52.037 -0.074 0.000 0.608 256 A CB -0.862 18.101 19.000 -0.062 0.000 0.839 256 A HN 0.214 nan 8.150 nan 0.000 0.443 257 T N -0.371 114.106 114.554 -0.129 0.000 3.077 257 T HA -0.083 4.272 4.350 0.008 0.000 0.269 257 T C 1.668 176.148 174.700 -0.367 0.000 1.146 257 T CA 1.359 63.328 62.100 -0.218 0.000 1.091 257 T CB -0.167 68.593 68.868 -0.180 0.000 0.892 257 T HN 0.631 nan 8.240 nan 0.000 0.533 258 E N 0.505 120.572 120.200 -0.221 0.000 2.127 258 E HA -0.081 4.274 4.350 0.008 0.000 0.191 258 E C 1.376 177.914 176.600 -0.102 0.000 0.964 258 E CA 0.600 56.899 56.400 -0.168 0.000 0.832 258 E CB 0.020 29.681 29.700 -0.066 0.000 0.790 258 E HN 0.279 nan 8.360 nan 0.000 0.465 259 D N 1.019 121.364 120.400 -0.093 0.000 2.190 259 D HA -0.177 4.468 4.640 0.008 0.000 0.200 259 D C 1.934 178.189 176.300 -0.075 0.000 0.992 259 D CA 1.107 55.062 54.000 -0.075 0.000 0.854 259 D CB -0.009 40.747 40.800 -0.073 0.000 0.936 259 D HN 0.289 nan 8.370 nan 0.000 0.462 260 I N -0.274 120.238 120.570 -0.096 0.000 2.193 260 I HA -0.190 3.985 4.170 0.008 0.000 0.240 260 I C 2.071 178.198 176.117 0.016 0.000 1.084 260 I CA 1.282 62.543 61.300 -0.064 0.000 1.365 260 I CB -1.431 36.517 38.000 -0.086 0.000 1.064 260 I HN 0.235 nan 8.210 nan 0.000 0.410 261 H N 1.591 120.629 119.070 -0.052 0.000 2.390 261 H HA -0.173 4.389 4.556 0.009 0.000 0.298 261 H C 2.265 177.537 175.328 -0.092 0.000 1.106 261 H CA 1.754 57.770 56.048 -0.054 0.000 1.297 261 H CB -0.053 29.694 29.762 -0.024 0.000 1.375 261 H HN 0.408 nan 8.280 nan 0.000 0.509 262 K N 1.441 121.855 120.400 0.023 0.000 2.504 262 K HA 0.031 4.356 4.320 0.008 0.000 0.195 262 K C 1.803 178.313 176.600 -0.151 0.000 1.036 262 K CA 0.522 56.756 56.287 -0.089 0.000 0.984 262 K CB -0.411 32.042 32.500 -0.078 0.000 0.788 262 K HN 0.311 nan 8.250 nan 0.000 0.488 263 L N -0.928 120.233 121.223 -0.104 0.000 2.162 263 L HA 0.100 4.445 4.340 0.008 0.000 0.205 263 L C 2.272 179.061 176.870 -0.135 0.000 1.086 263 L CA 1.004 55.772 54.840 -0.121 0.000 0.778 263 L CB 0.188 42.197 42.059 -0.083 0.000 0.928 263 L HN 0.486 nan 8.230 nan 0.000 0.446 264 G N -1.570 107.168 108.800 -0.104 0.000 3.591 264 G HA2 0.333 4.298 3.960 0.008 0.000 0.282 264 G HA3 0.333 4.298 3.960 0.008 0.000 0.282 264 G C 1.001 175.819 174.900 -0.136 0.000 1.238 264 G CA 0.412 45.453 45.100 -0.099 0.000 0.993 264 G HN 0.376 nan 8.290 nan 0.000 0.542 265 A N -1.587 121.084 122.820 -0.247 0.000 2.829 265 A HA -0.188 4.137 4.320 0.008 0.000 0.267 265 A C 0.639 178.111 177.584 -0.186 0.000 1.370 265 A CA 1.055 52.876 52.037 -0.360 0.000 0.900 265 A CB -2.137 16.741 19.000 -0.203 0.000 1.044 265 A HN 0.900 nan 8.150 nan 0.000 0.691 266 V N 0.353 120.193 119.914 -0.125 0.000 2.432 266 V HA 0.556 4.681 4.120 0.008 0.000 0.275 266 V C 0.299 176.389 176.094 -0.007 0.000 1.043 266 V CA 0.105 62.374 62.300 -0.051 0.000 0.925 266 V CB 1.631 33.384 31.823 -0.116 0.000 0.985 266 V HN 0.393 nan 8.190 nan 0.000 0.466 267 D N 3.444 123.893 120.400 0.082 0.000 2.552 267 D HA 0.447 5.092 4.640 0.008 0.000 0.285 267 D C -1.031 175.343 176.300 0.123 0.000 1.206 267 D CA 0.136 54.211 54.000 0.125 0.000 0.826 267 D CB 1.293 42.247 40.800 0.256 0.000 1.179 267 D HN 0.307 nan 8.370 nan 0.000 0.508 268 V N 2.510 122.488 119.914 0.106 0.000 2.709 268 V HA 0.369 4.494 4.120 0.008 0.000 0.308 268 V C -1.415 174.749 176.094 0.118 0.000 1.062 268 V CA -1.423 60.937 62.300 0.100 0.000 0.901 268 V CB 2.025 33.898 31.823 0.084 0.000 1.003 268 V HN 0.131 nan 8.190 nan 0.000 0.425 269 P HA -0.120 nan 4.420 nan 0.000 0.212 269 P C -0.063 177.292 177.300 0.092 0.000 0.907 269 P CA 1.104 64.251 63.100 0.077 0.000 0.993 269 P CB 0.120 31.856 31.700 0.059 0.000 0.646 270 D N -0.529 119.921 120.400 0.083 0.000 2.943 270 D HA 0.211 4.856 4.640 0.008 0.000 0.249 270 D C -0.206 176.165 176.300 0.118 0.000 1.231 270 D CA -0.039 54.012 54.000 0.085 0.000 0.979 270 D CB -1.040 39.797 40.800 0.061 0.000 1.053 270 D HN 0.028 nan 8.370 nan 0.000 0.504 271 L N 1.246 122.575 121.223 0.176 0.000 2.433 271 L HA 0.145 4.490 4.340 0.008 0.000 0.275 271 L C -0.535 176.463 176.870 0.213 0.000 1.128 271 L CA -0.202 54.746 54.840 0.179 0.000 0.875 271 L CB 0.488 42.645 42.059 0.164 0.000 1.171 271 L HN -0.034 nan 8.230 nan 0.000 0.463 272 V N 6.852 126.860 119.914 0.156 0.000 2.259 272 V HA -0.017 4.108 4.120 0.008 0.000 0.267 272 V C 0.649 176.843 176.094 0.167 0.000 1.051 272 V CA -0.356 62.045 62.300 0.167 0.000 0.830 272 V CB 0.449 32.351 31.823 0.132 0.000 1.080 272 V HN 0.783 nan 8.190 nan 0.000 0.467 273 Y N 3.909 124.256 120.300 0.079 0.000 2.102 273 Y HA -0.338 4.217 4.550 0.008 0.000 0.280 273 Y C 2.650 178.582 175.900 0.054 0.000 1.178 273 Y CA 2.516 60.646 58.100 0.050 0.000 1.146 273 Y CB 0.061 38.545 38.460 0.040 0.000 0.968 273 Y HN 0.574 nan 8.280 nan 0.000 0.504 274 S N -0.420 115.432 115.700 0.253 0.000 2.420 274 S HA -0.248 4.227 4.470 0.008 0.000 0.237 274 S C 1.550 176.169 174.600 0.033 0.000 1.023 274 S CA 2.047 60.339 58.200 0.154 0.000 0.991 274 S CB -0.330 62.976 63.200 0.177 0.000 0.792 274 S HN 0.737 nan 8.310 nan 0.000 0.488 275 E N -0.350 119.868 120.200 0.031 0.000 2.490 275 E HA 0.361 4.716 4.350 0.008 0.000 0.209 275 E C 0.224 176.810 176.600 -0.023 0.000 0.971 275 E CA 0.107 56.522 56.400 0.024 0.000 0.988 275 E CB 0.691 30.437 29.700 0.077 0.000 1.029 275 E HN 0.423 nan 8.360 nan 0.000 0.496 276 A N 1.491 124.269 122.820 -0.070 0.000 2.276 276 A HA 0.604 4.929 4.320 0.008 0.000 0.300 276 A C 0.536 178.028 177.584 -0.153 0.000 1.235 276 A CA -0.147 51.841 52.037 -0.082 0.000 0.867 276 A CB 0.578 19.549 19.000 -0.049 0.000 1.137 276 A HN 0.182 nan 8.150 nan 0.000 0.527 277 G N 2.275 111.022 108.800 -0.089 0.000 2.543 277 G HA2 0.479 4.444 3.960 0.008 0.000 0.290 277 G HA3 0.479 4.444 3.960 0.008 0.000 0.290 277 G C -1.604 173.265 174.900 -0.052 0.000 1.310 277 G CA -1.202 43.846 45.100 -0.087 0.000 1.025 277 G HN 0.421 nan 8.290 nan 0.000 0.502 278 P HA -0.173 nan 4.420 nan 0.000 0.208 278 P C 2.332 179.678 177.300 0.078 0.000 1.180 278 P CA 2.571 65.684 63.100 0.022 0.000 0.935 278 P CB -0.366 31.335 31.700 0.002 0.000 0.785 279 V N -1.327 118.603 119.914 0.027 0.000 2.277 279 V HA -0.342 3.783 4.120 0.008 0.000 0.253 279 V C 2.303 178.480 176.094 0.139 0.000 1.067 279 V CA 2.397 64.718 62.300 0.035 0.000 1.047 279 V CB -2.388 29.409 31.823 -0.043 0.000 0.649 279 V HN 0.134 nan 8.190 nan 0.000 0.447 280 A N 1.009 123.876 122.820 0.078 0.000 1.858 280 A HA -0.094 4.231 4.320 0.008 0.000 0.216 280 A C 2.276 179.922 177.584 0.104 0.000 1.190 280 A CA 2.316 54.400 52.037 0.077 0.000 0.617 280 A CB -0.728 18.288 19.000 0.026 0.000 0.827 280 A HN 0.569 nan 8.150 nan 0.000 0.443 281 L N -2.773 118.499 121.223 0.082 0.000 2.046 281 L HA -0.201 4.144 4.340 0.008 0.000 0.208 281 L C 2.520 179.468 176.870 0.130 0.000 1.077 281 L CA 1.640 56.528 54.840 0.079 0.000 0.747 281 L CB -0.587 41.504 42.059 0.052 0.000 0.896 281 L HN 0.736 nan 8.230 nan 0.000 0.432 282 W N 0.824 122.123 121.300 -0.001 0.000 2.318 282 W HA -0.252 4.412 4.660 0.008 0.000 0.313 282 W C 2.319 178.845 176.519 0.012 0.000 1.221 282 W CA 1.492 58.841 57.345 0.007 0.000 1.266 282 W CB -0.109 29.351 29.460 0.000 0.000 1.150 282 W HN -0.027 nan 8.180 nan 0.000 0.496 283 L N 0.181 121.663 121.223 0.433 0.000 2.191 283 L HA -0.193 4.152 4.340 0.008 0.000 0.212 283 L C 2.536 179.448 176.870 0.070 0.000 1.103 283 L CA 1.245 56.262 54.840 0.295 0.000 0.769 283 L CB -0.877 41.335 42.059 0.256 0.000 0.908 283 L HN 0.170 nan 8.230 nan 0.000 0.438 284 A N -0.104 122.744 122.820 0.046 0.000 1.903 284 A HA -0.079 4.245 4.320 0.008 0.000 0.213 284 A C 2.296 179.872 177.584 -0.014 0.000 1.185 284 A CA 0.701 52.751 52.037 0.023 0.000 0.628 284 A CB -0.157 18.858 19.000 0.024 0.000 0.830 284 A HN 0.311 nan 8.150 nan 0.000 0.446 285 R N -0.769 119.684 120.500 -0.079 0.000 2.140 285 R HA 0.102 4.447 4.340 0.008 0.000 0.213 285 R C 1.883 178.080 176.300 -0.172 0.000 1.059 285 R CA 0.901 56.945 56.100 -0.093 0.000 1.000 285 R CB -0.624 29.618 30.300 -0.096 0.000 0.910 285 R HN 0.306 nan 8.270 nan 0.000 0.455 286 V N 2.081 121.758 119.914 -0.395 0.000 2.332 286 V HA -0.341 3.784 4.120 0.008 0.000 0.248 286 V C 3.178 179.099 176.094 -0.289 0.000 1.055 286 V CA 2.626 64.600 62.300 -0.543 0.000 1.038 286 V CB -0.765 30.356 31.823 -1.169 0.000 0.651 286 V HN 0.484 nan 8.190 nan 0.000 0.450 287 R N -1.305 119.074 120.500 -0.201 0.000 2.094 287 R HA -0.281 4.064 4.340 0.008 0.000 0.239 287 R C 1.895 178.072 176.300 -0.205 0.000 1.137 287 R CA 2.442 58.431 56.100 -0.186 0.000 0.943 287 R CB -1.808 28.399 30.300 -0.154 0.000 0.850 287 R HN 0.750 nan 8.270 nan 0.000 0.433 288 W N -0.657 120.583 121.300 -0.100 0.000 2.770 288 W HA 0.204 4.869 4.660 0.008 0.000 0.256 288 W C 1.862 178.334 176.519 -0.078 0.000 1.291 288 W CA -0.004 57.297 57.345 -0.073 0.000 1.396 288 W CB 0.035 29.460 29.460 -0.059 0.000 1.114 288 W HN 0.205 nan 8.180 nan 0.000 0.637 289 L N -0.420 120.851 121.223 0.080 0.000 1.994 289 L HA -0.192 4.153 4.340 0.008 0.000 0.208 289 L C 2.270 179.130 176.870 -0.016 0.000 1.071 289 L CA 1.539 56.386 54.840 0.011 0.000 0.745 289 L CB -1.538 40.480 42.059 -0.068 0.000 0.892 289 L HN -0.182 nan 8.230 nan 0.000 0.431 290 V N -0.382 119.489 119.914 -0.070 0.000 2.214 290 V HA -0.347 3.778 4.120 0.008 0.000 0.245 290 V C 2.467 178.521 176.094 -0.066 0.000 1.047 290 V CA 1.803 64.059 62.300 -0.074 0.000 0.998 290 V CB -0.523 31.239 31.823 -0.102 0.000 0.633 290 V HN 0.296 nan 8.190 nan 0.000 0.446 291 I N -0.572 119.922 120.570 -0.128 0.000 2.161 291 I HA -0.343 3.831 4.170 0.008 0.000 0.246 291 I C 2.355 178.458 176.117 -0.023 0.000 1.048 291 I CA 2.077 63.287 61.300 -0.150 0.000 1.314 291 I CB -0.765 37.005 38.000 -0.383 0.000 1.014 291 I HN 0.316 nan 8.210 nan 0.000 0.418 292 L N -0.293 120.962 121.223 0.053 0.000 2.095 292 L HA -0.051 4.293 4.340 0.008 0.000 0.204 292 L C 2.341 179.236 176.870 0.042 0.000 1.080 292 L CA 1.332 56.223 54.840 0.086 0.000 0.759 292 L CB -0.755 41.382 42.059 0.129 0.000 0.914 292 L HN 0.137 nan 8.230 nan 0.000 0.439 293 I N -0.011 120.572 120.570 0.021 0.000 2.179 293 I HA -0.268 3.907 4.170 0.008 0.000 0.242 293 I C 1.809 177.932 176.117 0.010 0.000 1.088 293 I CA 1.160 62.468 61.300 0.013 0.000 1.357 293 I CB 0.104 38.107 38.000 0.004 0.000 1.051 293 I HN 0.209 nan 8.210 nan 0.000 0.409 294 L N -2.219 119.004 121.223 0.000 0.000 2.682 294 L HA 0.143 4.488 4.340 0.008 0.000 0.240 294 L C 1.049 177.921 176.870 0.004 0.000 1.178 294 L CA 0.267 55.107 54.840 -0.000 0.000 0.970 294 L CB -0.529 41.524 42.059 -0.010 0.000 1.179 294 L HN 0.055 nan 8.230 nan 0.000 0.435 295 T N -0.551 114.012 114.554 0.014 0.000 2.999 295 T HA 0.180 4.535 4.350 0.008 0.000 0.247 295 T C 1.704 176.421 174.700 0.029 0.000 1.012 295 T CA 0.715 62.830 62.100 0.025 0.000 1.048 295 T CB 0.524 69.417 68.868 0.042 0.000 1.020 295 T HN 0.549 nan 8.240 nan 0.000 0.478 296 G N 0.986 109.802 108.800 0.027 0.000 2.494 296 G HA2 0.003 3.968 3.960 0.008 0.000 0.216 296 G HA3 0.003 3.968 3.960 0.008 0.000 0.216 296 G C 1.483 176.395 174.900 0.020 0.000 1.140 296 G CA 0.036 45.150 45.100 0.025 0.000 0.801 296 G HN 0.355 nan 8.290 nan 0.000 0.536 297 M N 0.703 120.314 119.600 0.018 0.000 2.337 297 M HA -0.109 4.376 4.480 0.008 0.000 0.261 297 M C 2.374 178.686 176.300 0.020 0.000 1.067 297 M CA 0.785 56.095 55.300 0.017 0.000 1.074 297 M CB -0.197 32.411 32.600 0.014 0.000 1.395 297 M HN 0.107 nan 8.290 nan 0.000 0.431 298 V N 0.158 120.085 119.914 0.021 0.000 2.828 298 V HA -0.231 3.894 4.120 0.008 0.000 0.260 298 V C 2.421 178.528 176.094 0.022 0.000 1.101 298 V CA 2.089 64.404 62.300 0.025 0.000 1.123 298 V CB -1.668 30.171 31.823 0.027 0.000 0.704 298 V HN 0.660 nan 8.190 nan 0.000 0.493 299 T N -4.060 110.503 114.554 0.016 0.000 2.978 299 T HA -0.087 4.268 4.350 0.008 0.000 0.262 299 T C 2.032 176.739 174.700 0.013 0.000 1.063 299 T CA 1.244 63.347 62.100 0.006 0.000 1.140 299 T CB -0.131 68.739 68.868 0.003 0.000 0.886 299 T HN 0.338 nan 8.240 nan 0.000 0.470 300 S N 1.776 117.488 115.700 0.020 0.000 2.351 300 S HA -0.103 4.372 4.470 0.008 0.000 0.220 300 S C 2.428 177.051 174.600 0.038 0.000 1.035 300 S CA 1.603 59.818 58.200 0.025 0.000 1.031 300 S CB -0.697 62.516 63.200 0.022 0.000 0.928 300 S HN 0.616 nan 8.310 nan 0.000 0.433 301 S N 0.832 116.557 115.700 0.042 0.000 2.447 301 S HA 0.012 4.487 4.470 0.008 0.000 0.233 301 S C 1.654 176.312 174.600 0.097 0.000 1.006 301 S CA 0.525 58.760 58.200 0.059 0.000 0.957 301 S CB -0.238 62.992 63.200 0.049 0.000 0.773 301 S HN 0.302 nan 8.310 nan 0.000 0.507 302 I N 1.331 121.947 120.570 0.078 0.000 2.439 302 I HA -0.003 4.172 4.170 0.008 0.000 0.251 302 I C 1.776 177.959 176.117 0.109 0.000 1.139 302 I CA 0.887 62.239 61.300 0.087 0.000 1.438 302 I CB -0.208 37.772 38.000 -0.033 0.000 1.085 302 I HN 0.260 nan 8.210 nan 0.000 0.427 303 L N -0.724 120.540 121.223 0.069 0.000 2.131 303 L HA -0.128 4.217 4.340 0.008 0.000 0.206 303 L C 2.062 179.014 176.870 0.136 0.000 1.087 303 L CA 1.323 56.208 54.840 0.074 0.000 0.767 303 L CB -0.550 41.530 42.059 0.035 0.000 0.917 303 L HN 0.333 nan 8.230 nan 0.000 0.441 304 Q N -0.985 118.884 119.800 0.115 0.000 2.424 304 Q HA 0.017 4.362 4.340 0.008 0.000 0.204 304 Q C 1.710 177.763 176.000 0.089 0.000 0.933 304 Q CA 0.522 56.377 55.803 0.086 0.000 0.929 304 Q CB 0.333 29.102 28.738 0.051 0.000 1.037 304 Q HN 0.467 nan 8.270 nan 0.000 0.511 305 G N -1.123 107.771 108.800 0.157 0.000 3.088 305 G HA2 -0.015 3.950 3.960 0.008 0.000 0.212 305 G HA3 -0.015 3.950 3.960 0.008 0.000 0.212 305 G C 0.417 175.272 174.900 -0.075 0.000 1.173 305 G CA 0.062 45.203 45.100 0.067 0.000 0.779 305 G HN 0.190 nan 8.290 nan 0.000 0.540 306 F N -0.454 119.485 119.950 -0.018 0.000 2.880 306 F HA 0.179 4.711 4.527 0.008 0.000 0.328 306 F C 1.850 177.631 175.800 -0.031 0.000 1.146 306 F CA -0.532 57.452 58.000 -0.028 0.000 1.135 306 F CB 0.537 39.519 39.000 -0.031 0.000 1.151 306 F HN 0.312 nan 8.300 nan 0.000 0.523 307 E N -0.825 119.433 120.200 0.098 0.000 2.268 307 E HA -0.144 4.211 4.350 0.008 0.000 0.195 307 E C 2.015 178.624 176.600 0.016 0.000 0.995 307 E CA 1.415 57.844 56.400 0.049 0.000 0.836 307 E CB -0.192 29.526 29.700 0.029 0.000 0.763 307 E HN 0.153 nan 8.360 nan 0.000 0.491 308 S N -0.333 115.361 115.700 -0.010 0.000 2.447 308 S HA -0.059 4.416 4.470 0.008 0.000 0.233 308 S C 1.733 176.321 174.600 -0.020 0.000 1.006 308 S CA 0.980 59.163 58.200 -0.029 0.000 0.957 308 S CB 0.038 63.202 63.200 -0.060 0.000 0.773 308 S HN 0.297 nan 8.310 nan 0.000 0.507 309 V N 0.756 120.671 119.914 0.001 0.000 2.825 309 V HA 0.124 4.249 4.120 0.008 0.000 0.246 309 V C 2.075 178.175 176.094 0.011 0.000 1.068 309 V CA 0.745 63.053 62.300 0.013 0.000 1.088 309 V CB -0.278 31.581 31.823 0.060 0.000 0.733 309 V HN 0.364 nan 8.190 nan 0.000 0.468 310 L N 1.148 122.385 121.223 0.023 0.000 2.156 310 L HA -0.121 4.224 4.340 0.008 0.000 0.208 310 L C 2.603 179.465 176.870 -0.013 0.000 1.095 310 L CA 2.014 56.854 54.840 0.000 0.000 0.770 310 L CB -0.469 41.596 42.059 0.010 0.000 0.914 310 L HN 0.598 nan 8.230 nan 0.000 0.439 311 E N -0.873 119.323 120.200 -0.007 0.000 2.110 311 E HA -0.213 4.141 4.350 0.008 0.000 0.193 311 E C 1.966 178.563 176.600 -0.005 0.000 0.988 311 E CA 1.206 57.601 56.400 -0.009 0.000 0.804 311 E CB -0.533 29.163 29.700 -0.006 0.000 0.745 311 E HN 0.433 nan 8.360 nan 0.000 0.458 312 A N 1.294 124.113 122.820 -0.002 0.000 2.014 312 A HA 0.076 4.401 4.320 0.008 0.000 0.218 312 A C 1.117 178.709 177.584 0.014 0.000 1.163 312 A CA 0.682 52.721 52.037 0.004 0.000 0.652 312 A CB 0.187 19.187 19.000 0.001 0.000 0.808 312 A HN 0.135 nan 8.150 nan 0.000 0.449 313 V N 0.482 120.401 119.914 0.009 0.000 2.357 313 V HA 0.180 4.305 4.120 0.008 0.000 0.281 313 V C 0.900 176.999 176.094 0.009 0.000 1.015 313 V CA -0.136 62.180 62.300 0.027 0.000 0.827 313 V CB 0.693 32.531 31.823 0.026 0.000 1.018 313 V HN 0.396 nan 8.190 nan 0.000 0.432 314 T N 2.975 117.547 114.554 0.029 0.000 2.708 314 T HA -0.146 4.209 4.350 0.008 0.000 0.266 314 T C 1.994 176.635 174.700 -0.098 0.000 1.037 314 T CA 1.800 63.878 62.100 -0.036 0.000 1.146 314 T CB -0.022 68.892 68.868 0.077 0.000 0.865 314 T HN 0.790 nan 8.240 nan 0.000 0.435 315 A N 0.500 123.434 122.820 0.191 0.000 2.259 315 A HA 0.089 4.414 4.320 0.008 0.000 0.212 315 A C 2.055 179.806 177.584 0.280 0.000 1.178 315 A CA 0.676 52.932 52.037 0.365 0.000 0.734 315 A CB -0.653 18.526 19.000 0.298 0.000 0.774 315 A HN 0.345 nan 8.150 nan 0.000 0.481 316 L N -0.821 120.467 121.223 0.108 0.000 2.034 316 L HA 0.104 4.449 4.340 0.008 0.000 0.203 316 L C 2.719 179.722 176.870 0.221 0.000 1.074 316 L CA 1.962 56.906 54.840 0.173 0.000 0.748 316 L CB -0.705 41.383 42.059 0.048 0.000 0.905 316 L HN 0.302 nan 8.230 nan 0.000 0.439 317 A N -1.517 121.292 122.820 -0.018 0.000 2.172 317 A HA -0.153 4.172 4.320 0.008 0.000 0.216 317 A C 2.077 179.632 177.584 -0.047 0.000 1.154 317 A CA 0.898 52.918 52.037 -0.029 0.000 0.701 317 A CB -1.098 17.816 19.000 -0.143 0.000 0.789 317 A HN 0.469 nan 8.150 nan 0.000 0.465 318 F N -2.059 117.902 119.950 0.018 0.000 2.307 318 F HA -0.201 4.331 4.527 0.008 0.000 0.301 318 F C 1.618 177.235 175.800 -0.305 0.000 1.076 318 F CA 1.060 58.946 58.000 -0.189 0.000 1.383 318 F CB -0.179 38.589 39.000 -0.386 0.000 1.055 318 F HN 0.364 nan 8.300 nan 0.000 0.526 319 Y N -2.622 117.753 120.300 0.126 0.000 2.444 319 Y HA 0.091 4.646 4.550 0.008 0.000 0.249 319 Y C 1.877 177.732 175.900 -0.074 0.000 1.134 319 Y CA -0.230 57.886 58.100 0.027 0.000 1.261 319 Y CB -0.468 37.995 38.460 0.004 0.000 1.143 319 Y HN -0.240 nan 8.280 nan 0.000 0.523 320 V N 1.696 121.659 119.914 0.080 0.000 2.278 320 V HA -0.298 3.827 4.120 0.008 0.000 0.251 320 V C -0.441 175.634 176.094 -0.033 0.000 1.062 320 V CA 2.359 64.654 62.300 -0.008 0.000 1.038 320 V CB -1.531 30.328 31.823 0.059 0.000 0.646 320 V HN 0.286 nan 8.190 nan 0.000 0.447 321 P HA -0.101 nan 4.420 nan 0.000 0.213 321 P C 1.870 179.162 177.300 -0.013 0.000 1.170 321 P CA 1.621 64.717 63.100 -0.007 0.000 0.893 321 P CB -0.251 31.449 31.700 0.001 0.000 0.784 322 V N -0.683 119.232 119.914 0.001 0.000 2.546 322 V HA -0.208 3.917 4.120 0.008 0.000 0.254 322 V C 2.332 178.416 176.094 -0.017 0.000 1.076 322 V CA 1.501 63.809 62.300 0.012 0.000 1.087 322 V CB -1.319 30.541 31.823 0.063 0.000 0.674 322 V HN 0.097 nan 8.190 nan 0.000 0.470 323 L N -1.138 120.042 121.223 -0.073 0.000 2.202 323 L HA 0.104 4.449 4.340 0.008 0.000 0.205 323 L C 2.307 179.121 176.870 -0.094 0.000 1.083 323 L CA 1.254 56.007 54.840 -0.145 0.000 0.790 323 L CB -0.460 41.362 42.059 -0.395 0.000 0.942 323 L HN 0.325 nan 8.230 nan 0.000 0.452 324 L N -0.512 120.668 121.223 -0.071 0.000 2.102 324 L HA 0.047 4.392 4.340 0.008 0.000 0.202 324 L C 2.245 179.109 176.870 -0.011 0.000 1.076 324 L CA 1.571 56.392 54.840 -0.031 0.000 0.761 324 L CB -1.434 40.613 42.059 -0.020 0.000 0.921 324 L HN 0.255 nan 8.230 nan 0.000 0.444 325 G N -1.623 107.170 108.800 -0.011 0.000 3.026 325 G HA2 -0.036 3.929 3.960 0.008 0.000 0.208 325 G HA3 -0.036 3.929 3.960 0.008 0.000 0.208 325 G C 1.363 176.261 174.900 -0.003 0.000 1.169 325 G CA 0.498 45.596 45.100 -0.005 0.000 0.788 325 G HN 0.268 nan 8.290 nan 0.000 0.533 326 T N 0.041 114.593 114.554 -0.003 0.000 2.980 326 T HA 0.097 4.452 4.350 0.008 0.000 0.239 326 T C 2.560 177.265 174.700 0.007 0.000 1.011 326 T CA 0.890 62.992 62.100 0.003 0.000 1.171 326 T CB -0.315 68.556 68.868 0.005 0.000 0.873 326 T HN 0.235 nan 8.240 nan 0.000 0.431 327 G N 0.874 109.682 108.800 0.014 0.000 2.462 327 G HA2 -0.068 3.896 3.960 0.008 0.000 0.220 327 G HA3 -0.068 3.896 3.960 0.008 0.000 0.220 327 G C 1.614 176.523 174.900 0.015 0.000 1.121 327 G CA 1.057 46.173 45.100 0.026 0.000 0.758 327 G HN 0.552 nan 8.290 nan 0.000 0.559 328 G N 0.480 109.285 108.800 0.010 0.000 2.422 328 G HA2 -0.171 3.794 3.960 0.008 0.000 0.218 328 G HA3 -0.171 3.794 3.960 0.008 0.000 0.218 328 G C 1.635 176.529 174.900 -0.010 0.000 1.140 328 G CA 0.918 46.019 45.100 0.002 0.000 0.775 328 G HN 0.566 nan 8.290 nan 0.000 0.545 329 N N -0.211 118.484 118.700 -0.009 0.000 2.135 329 N HA -0.076 4.669 4.740 0.008 0.000 0.186 329 N C 2.268 177.767 175.510 -0.019 0.000 1.027 329 N CA 1.213 54.255 53.050 -0.014 0.000 0.849 329 N CB -0.166 38.315 38.487 -0.010 0.000 1.002 329 N HN 0.127 nan 8.380 nan 0.000 0.425 330 T N 0.174 114.721 114.554 -0.013 0.000 2.665 330 T HA -0.150 4.205 4.350 0.008 0.000 0.268 330 T C 1.928 176.606 174.700 -0.037 0.000 1.035 330 T CA 1.533 63.622 62.100 -0.019 0.000 1.151 330 T CB -0.677 68.187 68.868 -0.007 0.000 0.862 330 T HN 0.446 nan 8.240 nan 0.000 0.438 331 G N 1.224 110.000 108.800 -0.039 0.000 2.422 331 G HA2 -0.214 3.751 3.960 0.008 0.000 0.218 331 G HA3 -0.214 3.751 3.960 0.008 0.000 0.218 331 G C 1.643 176.508 174.900 -0.058 0.000 1.140 331 G CA 0.600 45.665 45.100 -0.058 0.000 0.775 331 G HN 0.399 nan 8.290 nan 0.000 0.545 332 N N 0.391 119.063 118.700 -0.047 0.000 2.188 332 N HA -0.047 4.697 4.740 0.008 0.000 0.184 332 N C 2.358 177.836 175.510 -0.052 0.000 1.018 332 N CA 0.868 53.888 53.050 -0.051 0.000 0.858 332 N CB -0.240 38.221 38.487 -0.042 0.000 0.989 332 N HN 0.492 nan 8.380 nan 0.000 0.426 333 Q N 0.137 119.910 119.800 -0.046 0.000 1.965 333 Q HA -0.081 4.264 4.340 0.008 0.000 0.200 333 Q C 2.203 178.172 176.000 -0.051 0.000 0.981 333 Q CA 1.792 57.569 55.803 -0.044 0.000 0.834 333 Q CB -0.308 28.409 28.738 -0.035 0.000 0.900 333 Q HN 0.480 nan 8.270 nan 0.000 0.426 334 S N 0.911 116.577 115.700 -0.056 0.000 2.392 334 S HA -0.240 4.235 4.470 0.008 0.000 0.232 334 S C 2.116 176.676 174.600 -0.067 0.000 1.041 334 S CA 1.244 59.408 58.200 -0.061 0.000 1.026 334 S CB -0.452 62.701 63.200 -0.078 0.000 0.845 334 S HN 0.403 nan 8.310 nan 0.000 0.465 335 A N 1.681 124.456 122.820 -0.075 0.000 1.858 335 A HA -0.026 4.299 4.320 0.008 0.000 0.216 335 A C 2.498 180.026 177.584 -0.093 0.000 1.190 335 A CA 2.200 54.185 52.037 -0.087 0.000 0.617 335 A CB -1.823 17.126 19.000 -0.085 0.000 0.827 335 A HN 0.576 nan 8.150 nan 0.000 0.443 336 T N 0.812 115.318 114.554 -0.080 0.000 2.555 336 T HA -0.200 4.155 4.350 0.008 0.000 0.264 336 T C 1.837 176.489 174.700 -0.079 0.000 1.083 336 T CA 1.867 63.920 62.100 -0.078 0.000 1.179 336 T CB -0.740 68.090 68.868 -0.064 0.000 0.863 336 T HN 0.359 nan 8.240 nan 0.000 0.412 337 L N 0.705 121.888 121.223 -0.066 0.000 2.030 337 L HA -0.202 4.143 4.340 0.008 0.000 0.222 337 L C 2.581 179.405 176.870 -0.077 0.000 1.082 337 L CA 1.455 56.260 54.840 -0.059 0.000 0.785 337 L CB -0.924 41.109 42.059 -0.043 0.000 0.895 337 L HN 0.278 nan 8.230 nan 0.000 0.439 338 I N -0.436 120.075 120.570 -0.098 0.000 2.226 338 I HA -0.266 3.909 4.170 0.008 0.000 0.245 338 I C 2.605 178.593 176.117 -0.216 0.000 1.100 338 I CA 1.767 62.967 61.300 -0.167 0.000 1.374 338 I CB -0.810 37.063 38.000 -0.212 0.000 1.057 338 I HN 0.261 nan 8.210 nan 0.000 0.413 339 I N 0.428 120.890 120.570 -0.179 0.000 2.163 339 I HA -0.336 3.839 4.170 0.008 0.000 0.243 339 I C 2.822 178.861 176.117 -0.129 0.000 1.085 339 I CA 1.320 62.522 61.300 -0.164 0.000 1.347 339 I CB -0.405 37.517 38.000 -0.131 0.000 1.044 339 I HN 0.175 nan 8.210 nan 0.000 0.408 340 R N 1.688 122.126 120.500 -0.103 0.000 2.062 340 R HA -0.050 4.295 4.340 0.008 0.000 0.231 340 R C 2.194 178.448 176.300 -0.076 0.000 1.136 340 R CA 1.843 57.894 56.100 -0.080 0.000 0.948 340 R CB -0.996 29.265 30.300 -0.065 0.000 0.845 340 R HN 0.313 nan 8.270 nan 0.000 0.430 341 A N 0.191 122.964 122.820 -0.078 0.000 2.194 341 A HA -0.116 4.209 4.320 0.008 0.000 0.220 341 A C 2.039 179.581 177.584 -0.070 0.000 1.162 341 A CA 1.415 53.415 52.037 -0.062 0.000 0.674 341 A CB -0.562 18.408 19.000 -0.050 0.000 0.789 341 A HN 0.378 nan 8.150 nan 0.000 0.470 342 L N -2.148 119.012 121.223 -0.106 0.000 2.286 342 L HA 0.078 4.423 4.340 0.008 0.000 0.203 342 L C 2.854 179.684 176.870 -0.067 0.000 1.068 342 L CA 0.802 55.581 54.840 -0.102 0.000 0.811 342 L CB -0.372 41.587 42.059 -0.167 0.000 0.989 342 L HN 0.336 nan 8.230 nan 0.000 0.467 343 A N -0.864 121.914 122.820 -0.070 0.000 2.119 343 A HA -0.078 4.247 4.320 0.008 0.000 0.217 343 A C 1.943 179.501 177.584 -0.044 0.000 1.153 343 A CA 1.354 53.358 52.037 -0.055 0.000 0.692 343 A CB -0.508 18.457 19.000 -0.060 0.000 0.799 343 A HN 0.304 nan 8.150 nan 0.000 0.458 344 T N -0.549 113.980 114.554 -0.042 0.000 3.144 344 T HA 0.327 4.682 4.350 0.008 0.000 0.249 344 T C 1.371 176.056 174.700 -0.026 0.000 1.089 344 T CA 1.167 63.247 62.100 -0.034 0.000 0.989 344 T CB -0.219 68.629 68.868 -0.033 0.000 0.992 344 T HN 1.054 nan 8.240 nan 0.000 0.540 345 R N 0.961 121.446 120.500 -0.025 0.000 4.000 345 R HA -0.260 4.085 4.340 0.008 0.000 0.362 345 R C 1.097 177.393 176.300 -0.006 0.000 1.183 345 R CA 1.785 57.876 56.100 -0.014 0.000 1.011 345 R CB -3.128 27.163 30.300 -0.015 0.000 1.501 345 R HN 0.549 nan 8.270 nan 0.000 0.553 346 D N -0.649 119.745 120.400 -0.010 0.000 2.149 346 D HA 0.095 4.740 4.640 0.008 0.000 0.201 346 D C 0.710 177.022 176.300 0.019 0.000 0.972 346 D CA 1.335 55.334 54.000 -0.002 0.000 0.835 346 D CB 0.116 40.910 40.800 -0.009 0.000 0.966 346 D HN 0.719 nan 8.370 nan 0.000 0.476 347 L N 1.145 122.384 121.223 0.027 0.000 2.313 347 L HA 0.242 4.587 4.340 0.008 0.000 0.283 347 L C -0.064 176.873 176.870 0.111 0.000 1.013 347 L CA -0.952 53.937 54.840 0.081 0.000 0.816 347 L CB 1.809 43.925 42.059 0.095 0.000 1.236 347 L HN -0.052 nan 8.230 nan 0.000 0.419 348 D N 2.179 122.659 120.400 0.134 0.000 2.382 348 D HA -0.014 4.631 4.640 0.008 0.000 0.245 348 D C 0.854 177.302 176.300 0.246 0.000 1.120 348 D CA -0.264 53.819 54.000 0.138 0.000 0.890 348 D CB 1.635 42.491 40.800 0.094 0.000 1.201 348 D HN 0.394 nan 8.370 nan 0.000 0.433 349 L N 4.087 125.443 121.223 0.222 0.000 2.349 349 L HA -0.157 4.188 4.340 0.008 0.000 0.220 349 L C 1.994 179.083 176.870 0.364 0.000 1.130 349 L CA 2.015 57.038 54.840 0.305 0.000 0.791 349 L CB -0.445 41.727 42.059 0.189 0.000 0.918 349 L HN 0.509 nan 8.230 nan 0.000 0.444 350 R N -0.907 119.738 120.500 0.241 0.000 2.586 350 R HA 0.242 4.587 4.340 0.008 0.000 0.306 350 R C 0.810 177.102 176.300 -0.014 0.000 1.079 350 R CA 0.623 56.819 56.100 0.160 0.000 1.083 350 R CB -1.228 29.121 30.300 0.082 0.000 1.306 350 R HN 0.419 nan 8.270 nan 0.000 0.567 351 D N -0.732 119.699 120.400 0.051 0.000 2.398 351 D HA -0.039 4.606 4.640 0.008 0.000 0.210 351 D C 1.707 177.849 176.300 -0.263 0.000 1.094 351 D CA -0.141 53.834 54.000 -0.042 0.000 0.839 351 D CB -0.041 40.845 40.800 0.145 0.000 0.963 351 D HN 0.760 nan 8.370 nan 0.000 0.506 352 W N 1.793 122.701 121.300 -0.653 0.000 2.402 352 W HA -0.089 4.576 4.660 0.008 0.000 0.286 352 W C 1.112 177.352 176.519 -0.465 0.000 1.221 352 W CA 0.270 56.882 57.345 -1.220 0.000 1.257 352 W CB -0.754 27.914 29.460 -1.320 0.000 1.120 352 W HN -0.064 nan 8.180 nan 0.000 0.551 353 R N 0.807 120.570 120.500 -1.229 0.000 2.189 353 R HA -0.029 4.316 4.340 0.008 0.000 0.218 353 R C 2.735 178.793 176.300 -0.404 0.000 1.074 353 R CA 1.793 57.291 56.100 -1.002 0.000 0.991 353 R CB -0.903 28.669 30.300 -1.214 0.000 0.883 353 R HN 0.305 nan 8.270 nan 0.000 0.457 354 R N 0.942 121.252 120.500 -0.317 0.000 2.173 354 R HA 0.087 4.432 4.340 0.008 0.000 0.208 354 R C 2.117 178.393 176.300 -0.041 0.000 1.035 354 R CA 0.896 56.911 56.100 -0.142 0.000 1.004 354 R CB -0.886 29.346 30.300 -0.113 0.000 0.917 354 R HN 0.064 nan 8.270 nan 0.000 0.462 355 V N -0.573 119.330 119.914 -0.018 0.000 2.535 355 V HA 0.032 4.157 4.120 0.008 0.000 0.246 355 V C 2.143 178.287 176.094 0.084 0.000 1.045 355 V CA 1.105 63.455 62.300 0.084 0.000 1.058 355 V CB -0.579 31.399 31.823 0.260 0.000 0.689 355 V HN 0.535 nan 8.190 nan 0.000 0.461 356 F N 0.399 120.317 119.950 -0.053 0.000 2.161 356 F HA -0.191 4.341 4.527 0.008 0.000 0.300 356 F C 1.979 177.754 175.800 -0.042 0.000 1.089 356 F CA 1.687 59.670 58.000 -0.029 0.000 1.282 356 F CB 0.077 39.079 39.000 0.002 0.000 1.010 356 F HN 0.047 nan 8.300 nan 0.000 0.485 357 L N -0.611 120.727 121.223 0.190 0.000 2.162 357 L HA -0.103 4.242 4.340 0.008 0.000 0.205 357 L C 2.389 179.287 176.870 0.047 0.000 1.086 357 L CA 0.869 55.781 54.840 0.119 0.000 0.778 357 L CB -0.627 41.466 42.059 0.057 0.000 0.928 357 L HN 0.022 nan 8.230 nan 0.000 0.446 358 K N 0.399 120.813 120.400 0.023 0.000 1.967 358 K HA -0.158 4.167 4.320 0.008 0.000 0.212 358 K C 2.023 178.617 176.600 -0.010 0.000 1.044 358 K CA 1.211 57.503 56.287 0.010 0.000 0.942 358 K CB 0.090 32.598 32.500 0.014 0.000 0.726 358 K HN 0.075 nan 8.250 nan 0.000 0.440 359 E N 0.793 120.970 120.200 -0.039 0.000 2.219 359 E HA -0.248 4.107 4.350 0.008 0.000 0.198 359 E C 1.783 178.305 176.600 -0.130 0.000 0.998 359 E CA 1.065 57.413 56.400 -0.086 0.000 0.818 359 E CB -0.240 29.385 29.700 -0.124 0.000 0.741 359 E HN 0.447 nan 8.360 nan 0.000 0.477 360 M N -0.126 119.394 119.600 -0.134 0.000 2.144 360 M HA -0.150 4.335 4.480 0.008 0.000 0.260 360 M C 1.918 178.283 176.300 0.108 0.000 1.067 360 M CA 2.204 57.438 55.300 -0.109 0.000 1.095 360 M CB -0.143 32.466 32.600 0.014 0.000 1.365 360 M HN 0.089 nan 8.290 nan 0.000 0.406 361 G N -1.449 107.400 108.800 0.083 0.000 2.539 361 G HA2 0.022 3.987 3.960 0.008 0.000 0.215 361 G HA3 0.022 3.987 3.960 0.008 0.000 0.215 361 G C 1.206 176.156 174.900 0.082 0.000 1.141 361 G CA 0.478 45.642 45.100 0.108 0.000 0.806 361 G HN 0.400 nan 8.290 nan 0.000 0.533 362 V N 1.409 121.346 119.914 0.039 0.000 2.548 362 V HA 0.035 4.160 4.120 0.008 0.000 0.249 362 V C 2.974 179.090 176.094 0.038 0.000 1.055 362 V CA 1.753 64.067 62.300 0.025 0.000 1.065 362 V CB -0.690 31.131 31.823 -0.002 0.000 0.681 362 V HN 0.367 nan 8.190 nan 0.000 0.462 363 G N -0.373 108.447 108.800 0.034 0.000 2.484 363 G HA2 -0.120 3.845 3.960 0.008 0.000 0.218 363 G HA3 -0.120 3.845 3.960 0.008 0.000 0.218 363 G C 1.494 176.524 174.900 0.216 0.000 1.130 363 G CA 0.433 45.569 45.100 0.058 0.000 0.784 363 G HN 0.399 nan 8.290 nan 0.000 0.543 364 L N 0.023 121.421 121.223 0.291 0.000 2.209 364 L HA 0.327 4.672 4.340 0.008 0.000 0.207 364 L C 2.259 179.194 176.870 0.108 0.000 1.094 364 L CA 0.918 55.900 54.840 0.237 0.000 0.790 364 L CB -0.371 41.804 42.059 0.194 0.000 0.932 364 L HN 0.190 nan 8.230 nan 0.000 0.447 365 L N -0.692 120.582 121.223 0.086 0.000 2.240 365 L HA -0.114 4.231 4.340 0.008 0.000 0.211 365 L C 2.422 179.315 176.870 0.040 0.000 1.106 365 L CA 0.511 55.378 54.840 0.046 0.000 0.793 365 L CB 0.153 42.231 42.059 0.032 0.000 0.927 365 L HN 0.291 nan 8.230 nan 0.000 0.446 366 L N -1.206 120.048 121.223 0.051 0.000 2.095 366 L HA -0.033 4.312 4.340 0.008 0.000 0.204 366 L C 2.554 179.458 176.870 0.057 0.000 1.080 366 L CA 1.044 55.910 54.840 0.043 0.000 0.759 366 L CB -0.889 41.191 42.059 0.034 0.000 0.914 366 L HN 0.274 nan 8.230 nan 0.000 0.439 367 G N 0.415 109.264 108.800 0.081 0.000 2.491 367 G HA2 -0.289 3.676 3.960 0.008 0.000 0.218 367 G HA3 -0.289 3.676 3.960 0.008 0.000 0.218 367 G C 1.514 176.457 174.900 0.071 0.000 1.180 367 G CA 0.761 45.913 45.100 0.087 0.000 0.774 367 G HN 0.117 nan 8.290 nan 0.000 0.562 368 L N 1.277 122.536 121.223 0.061 0.000 1.976 368 L HA -0.074 4.271 4.340 0.008 0.000 0.209 368 L C 3.433 180.348 176.870 0.074 0.000 1.071 368 L CA 2.472 57.347 54.840 0.058 0.000 0.746 368 L CB -1.116 40.962 42.059 0.032 0.000 0.890 368 L HN 0.463 nan 8.230 nan 0.000 0.432 369 T N -2.920 111.662 114.554 0.046 0.000 2.778 369 T HA -0.229 4.126 4.350 0.008 0.000 0.269 369 T C 1.920 176.681 174.700 0.102 0.000 1.050 369 T CA 1.536 63.661 62.100 0.043 0.000 1.137 369 T CB -0.641 68.234 68.868 0.011 0.000 0.860 369 T HN 0.261 nan 8.240 nan 0.000 0.468 370 L N 0.446 121.721 121.223 0.087 0.000 2.095 370 L HA 0.024 4.369 4.340 0.008 0.000 0.204 370 L C 3.176 180.106 176.870 0.100 0.000 1.080 370 L CA 0.929 55.821 54.840 0.086 0.000 0.759 370 L CB -0.576 41.519 42.059 0.060 0.000 0.914 370 L HN 0.271 nan 8.230 nan 0.000 0.439 371 S N 0.114 115.874 115.700 0.101 0.000 2.359 371 S HA -0.230 4.245 4.470 0.008 0.000 0.224 371 S C 1.825 176.489 174.600 0.107 0.000 1.035 371 S CA 1.473 59.725 58.200 0.086 0.000 1.018 371 S CB -0.458 62.787 63.200 0.074 0.000 0.876 371 S HN 0.397 nan 8.310 nan 0.000 0.448 372 F N 1.776 121.730 119.950 0.007 0.000 2.225 372 F HA -0.143 4.389 4.527 0.008 0.000 0.302 372 F C 1.648 177.455 175.800 0.012 0.000 1.068 372 F CA 1.147 59.149 58.000 0.004 0.000 1.327 372 F CB -0.145 38.855 39.000 -0.002 0.000 1.043 372 F HN 0.134 nan 8.300 nan 0.000 0.506 373 L N -1.051 120.240 121.223 0.114 0.000 2.102 373 L HA -0.093 4.252 4.340 0.008 0.000 0.202 373 L C 2.263 179.123 176.870 -0.017 0.000 1.076 373 L CA 0.534 55.392 54.840 0.029 0.000 0.761 373 L CB -0.584 41.533 42.059 0.097 0.000 0.921 373 L HN 0.223 nan 8.230 nan 0.000 0.444 374 L N -0.623 120.612 121.223 0.020 0.000 2.005 374 L HA -0.145 4.200 4.340 0.008 0.000 0.207 374 L C 2.398 179.284 176.870 0.026 0.000 1.072 374 L CA 1.537 56.401 54.840 0.039 0.000 0.744 374 L CB -0.358 41.725 42.059 0.040 0.000 0.895 374 L HN -0.094 nan 8.230 nan 0.000 0.433 375 V N 0.448 120.352 119.914 -0.017 0.000 2.317 375 V HA -0.350 3.775 4.120 0.008 0.000 0.251 375 V C 2.600 178.690 176.094 -0.007 0.000 1.065 375 V CA 1.983 64.264 62.300 -0.031 0.000 1.049 375 V CB -1.769 30.015 31.823 -0.066 0.000 0.651 375 V HN 0.696 nan 8.190 nan 0.000 0.450 376 G N -0.772 107.969 108.800 -0.098 0.000 2.491 376 G HA2 -0.361 3.604 3.960 0.008 0.000 0.218 376 G HA3 -0.361 3.604 3.960 0.008 0.000 0.218 376 G C 1.660 176.655 174.900 0.158 0.000 1.180 376 G CA 1.310 46.375 45.100 -0.059 0.000 0.774 376 G HN 0.498 nan 8.290 nan 0.000 0.562 377 K N -0.032 120.451 120.400 0.138 0.000 2.025 377 K HA -0.019 4.306 4.320 0.008 0.000 0.207 377 K C 2.687 179.519 176.600 0.386 0.000 1.049 377 K CA 1.204 57.648 56.287 0.262 0.000 0.933 377 K CB -0.349 32.271 32.500 0.201 0.000 0.714 377 K HN 0.165 nan 8.250 nan 0.000 0.438 378 V N 1.308 121.417 119.914 0.324 0.000 2.277 378 V HA -0.319 3.806 4.120 0.008 0.000 0.253 378 V C 2.215 178.497 176.094 0.312 0.000 1.067 378 V CA 2.296 64.750 62.300 0.256 0.000 1.047 378 V CB -0.815 30.934 31.823 -0.124 0.000 0.649 378 V HN 0.408 nan 8.190 nan 0.000 0.447 379 Y N -0.526 119.860 120.300 0.143 0.000 2.090 379 Y HA -0.283 4.272 4.550 0.008 0.000 0.274 379 Y C 2.361 178.363 175.900 0.170 0.000 1.110 379 Y CA 1.732 59.906 58.100 0.123 0.000 1.092 379 Y CB -0.951 37.553 38.460 0.073 0.000 0.992 379 Y HN 0.297 nan 8.280 nan 0.000 0.479 380 W N 2.064 123.301 121.300 -0.104 0.000 2.305 380 W HA -0.309 4.356 4.660 0.008 0.000 0.308 380 W C 2.279 178.724 176.519 -0.123 0.000 1.226 380 W CA 2.466 59.695 57.345 -0.194 0.000 1.253 380 W CB -0.611 28.837 29.460 -0.021 0.000 1.146 380 W HN 0.278 nan 8.180 nan 0.000 0.507 381 D N -0.379 120.201 120.400 0.299 0.000 2.203 381 D HA -0.150 4.495 4.640 0.008 0.000 0.199 381 D C 1.683 177.905 176.300 -0.130 0.000 0.997 381 D CA 2.401 56.532 54.000 0.217 0.000 0.863 381 D CB -0.591 40.477 40.800 0.446 0.000 0.928 381 D HN 0.339 nan 8.370 nan 0.000 0.458 382 G N -0.747 107.913 108.800 -0.234 0.000 2.189 382 G HA2 -0.140 3.825 3.960 0.008 0.000 0.113 382 G HA3 -0.140 3.825 3.960 0.008 0.000 0.113 382 G C -0.087 174.372 174.900 -0.735 0.000 1.038 382 G CA -0.169 44.626 45.100 -0.508 0.000 0.704 382 G HN 0.470 nan 8.290 nan 0.000 0.490 383 H N -0.525 118.543 119.070 -0.003 0.000 2.823 383 H HA 0.166 4.727 4.556 0.008 0.000 0.222 383 H C -2.111 173.262 175.328 0.076 0.000 1.414 383 H CA -0.461 55.631 56.048 0.074 0.000 1.289 383 H CB 1.476 31.357 29.762 0.198 0.000 1.970 383 H HN 0.262 nan 8.280 nan 0.000 0.517 384 P HA -0.100 nan 4.420 nan 0.000 0.231 384 P C 1.561 178.942 177.300 0.136 0.000 1.158 384 P CA 0.116 63.320 63.100 0.174 0.000 0.763 384 P CB 0.436 32.222 31.700 0.143 0.000 0.805 385 L N -0.950 120.345 121.223 0.121 0.000 2.095 385 L HA -0.161 4.184 4.340 0.008 0.000 0.229 385 L C 1.550 178.466 176.870 0.076 0.000 1.097 385 L CA 1.981 56.879 54.840 0.097 0.000 0.813 385 L CB -1.168 40.963 42.059 0.120 0.000 0.907 385 L HN 0.084 nan 8.230 nan 0.000 0.445 386 L N -1.791 119.477 121.223 0.074 0.000 2.973 386 L HA 0.033 4.378 4.340 0.008 0.000 0.254 386 L C -0.212 176.679 176.870 0.034 0.000 0.947 386 L CA -0.528 54.341 54.840 0.049 0.000 1.064 386 L CB 1.332 43.412 42.059 0.034 0.000 1.534 386 L HN -0.127 nan 8.230 nan 0.000 0.504 387 L N 4.551 125.793 121.223 0.032 0.000 2.156 387 L HA 0.018 4.362 4.340 0.008 0.000 0.208 387 L C -0.479 176.391 176.870 0.001 0.000 1.095 387 L CA 1.474 56.320 54.840 0.009 0.000 0.770 387 L CB -1.476 40.590 42.059 0.012 0.000 0.914 387 L HN 0.404 nan 8.230 nan 0.000 0.439 388 P HA -0.186 nan 4.420 nan 0.000 0.216 388 P C 1.945 179.261 177.300 0.026 0.000 1.150 388 P CA 1.988 65.096 63.100 0.013 0.000 0.843 388 P CB -0.262 31.444 31.700 0.010 0.000 0.787 389 V N -2.335 117.594 119.914 0.025 0.000 2.453 389 V HA -0.184 3.941 4.120 0.008 0.000 0.252 389 V C 2.063 178.236 176.094 0.132 0.000 1.068 389 V CA 2.084 64.407 62.300 0.038 0.000 1.070 389 V CB -1.476 30.351 31.823 0.006 0.000 0.664 389 V HN -0.029 nan 8.190 nan 0.000 0.461 390 V N 0.970 120.935 119.914 0.086 0.000 2.602 390 V HA 0.296 4.421 4.120 0.008 0.000 0.235 390 V C 2.908 179.014 176.094 0.020 0.000 1.087 390 V CA 1.386 63.730 62.300 0.074 0.000 1.117 390 V CB -1.079 30.651 31.823 -0.154 0.000 0.820 390 V HN 0.502 nan 8.190 nan 0.000 0.490 391 G N 0.168 108.962 108.800 -0.011 0.000 2.469 391 G HA2 -0.227 3.738 3.960 0.008 0.000 0.220 391 G HA3 -0.227 3.738 3.960 0.008 0.000 0.220 391 G C 1.630 176.544 174.900 0.023 0.000 1.136 391 G CA 1.533 46.634 45.100 0.001 0.000 0.759 391 G HN 0.322 nan 8.290 nan 0.000 0.562 392 V N 0.663 120.595 119.914 0.030 0.000 2.453 392 V HA -0.125 4.000 4.120 0.008 0.000 0.247 392 V C 3.075 179.199 176.094 0.049 0.000 1.048 392 V CA 2.027 64.345 62.300 0.031 0.000 1.049 392 V CB -0.156 31.681 31.823 0.023 0.000 0.672 392 V HN 0.367 nan 8.190 nan 0.000 0.457 393 S N 0.239 115.989 115.700 0.084 0.000 2.368 393 S HA -0.195 4.280 4.470 0.008 0.000 0.225 393 S C 1.905 176.547 174.600 0.071 0.000 1.030 393 S CA 1.714 59.985 58.200 0.118 0.000 0.999 393 S CB -0.430 62.940 63.200 0.283 0.000 0.844 393 S HN 0.451 nan 8.310 nan 0.000 0.459 394 L N 2.098 123.342 121.223 0.036 0.000 2.013 394 L HA -0.088 4.257 4.340 0.008 0.000 0.212 394 L C 2.164 179.070 176.870 0.059 0.000 1.073 394 L CA 1.667 56.521 54.840 0.024 0.000 0.753 394 L CB -0.808 41.258 42.059 0.011 0.000 0.890 394 L HN 0.146 nan 8.230 nan 0.000 0.432 395 V N -0.354 119.596 119.914 0.060 0.000 2.343 395 V HA -0.296 3.829 4.120 0.008 0.000 0.247 395 V C 2.530 178.693 176.094 0.115 0.000 1.051 395 V CA 1.952 64.296 62.300 0.073 0.000 1.036 395 V CB -0.587 31.255 31.823 0.032 0.000 0.654 395 V HN 0.455 nan 8.190 nan 0.000 0.451 396 L N -0.983 120.297 121.223 0.095 0.000 2.291 396 L HA -0.062 4.283 4.340 0.008 0.000 0.214 396 L C 2.163 179.159 176.870 0.211 0.000 1.120 396 L CA 1.183 56.105 54.840 0.137 0.000 0.799 396 L CB -0.337 41.766 42.059 0.072 0.000 0.925 396 L HN 0.326 nan 8.230 nan 0.000 0.446 397 I N -1.277 119.390 120.570 0.161 0.000 2.385 397 I HA -0.158 4.017 4.170 0.008 0.000 0.244 397 I C 2.381 178.608 176.117 0.183 0.000 1.089 397 I CA 0.540 61.940 61.300 0.167 0.000 1.410 397 I CB -0.157 37.897 38.000 0.089 0.000 1.117 397 I HN -0.090 nan 8.210 nan 0.000 0.429 398 V N 1.029 121.029 119.914 0.143 0.000 2.568 398 V HA -0.300 3.825 4.120 0.008 0.000 0.253 398 V C 2.236 178.418 176.094 0.147 0.000 1.072 398 V CA 1.883 64.252 62.300 0.115 0.000 1.084 398 V CB -0.697 31.183 31.823 0.095 0.000 0.676 398 V HN 0.344 nan 8.190 nan 0.000 0.469 399 F N 0.040 120.026 119.950 0.060 0.000 2.074 399 F HA -0.132 4.400 4.527 0.008 0.000 0.293 399 F C 2.078 177.916 175.800 0.064 0.000 1.116 399 F CA 1.755 59.786 58.000 0.052 0.000 1.212 399 F CB -0.542 38.500 39.000 0.070 0.000 0.998 399 F HN 0.178 nan 8.300 nan 0.000 0.471 400 F N 0.939 120.927 119.950 0.062 0.000 2.075 400 F HA -0.095 4.437 4.527 0.009 0.000 0.297 400 F C 2.414 178.153 175.800 -0.102 0.000 1.113 400 F CA 1.851 59.823 58.000 -0.046 0.000 1.218 400 F CB -1.089 37.955 39.000 0.073 0.000 0.984 400 F HN 0.019 nan 8.300 nan 0.000 0.472 401 A N 0.074 122.919 122.820 0.042 0.000 1.948 401 A HA -0.303 4.022 4.320 0.008 0.000 0.220 401 A C 2.008 179.486 177.584 -0.176 0.000 1.177 401 A CA 2.131 54.131 52.037 -0.062 0.000 0.636 401 A CB -1.297 17.728 19.000 0.042 0.000 0.815 401 A HN 0.588 nan 8.150 nan 0.000 0.449 402 N N 0.057 118.651 118.700 -0.177 0.000 2.039 402 N HA -0.119 4.626 4.740 0.008 0.000 0.193 402 N C 1.460 176.794 175.510 -0.293 0.000 1.044 402 N CA 1.605 54.534 53.050 -0.201 0.000 0.847 402 N CB -0.320 38.053 38.487 -0.190 0.000 1.030 402 N HN 0.280 nan 8.380 nan 0.000 0.422 403 L N 0.335 121.283 121.223 -0.457 0.000 2.450 403 L HA -0.066 4.279 4.340 0.008 0.000 0.224 403 L C 1.803 178.401 176.870 -0.453 0.000 1.149 403 L CA 0.748 55.258 54.840 -0.550 0.000 0.816 403 L CB -0.887 40.690 42.059 -0.803 0.000 0.932 403 L HN 0.174 nan 8.230 nan 0.000 0.449 404 V N -0.508 119.135 119.914 -0.451 0.000 2.426 404 V HA 0.010 4.135 4.120 0.008 0.000 0.242 404 V C 2.489 178.474 176.094 -0.182 0.000 1.036 404 V CA 1.440 63.521 62.300 -0.364 0.000 1.044 404 V CB -0.512 31.045 31.823 -0.443 0.000 0.688 404 V HN 0.475 nan 8.190 nan 0.000 0.462 405 G N -0.532 108.173 108.800 -0.158 0.000 2.509 405 G HA2 -0.040 3.925 3.960 0.008 0.000 0.218 405 G HA3 -0.040 3.925 3.960 0.008 0.000 0.218 405 G C 1.565 176.418 174.900 -0.079 0.000 1.124 405 G CA 1.018 46.057 45.100 -0.102 0.000 0.776 405 G HN 0.560 nan 8.290 nan 0.000 0.547 406 A N 0.545 123.323 122.820 -0.070 0.000 1.878 406 A HA 0.252 4.577 4.320 0.008 0.000 0.213 406 A C 2.208 179.903 177.584 0.185 0.000 1.192 406 A CA 1.128 53.178 52.037 0.021 0.000 0.619 406 A CB -0.115 18.888 19.000 0.006 0.000 0.837 406 A HN 0.258 nan 8.150 nan 0.000 0.446 407 M N -0.655 119.042 119.600 0.162 0.000 2.556 407 M HA 0.172 4.657 4.480 0.008 0.000 0.245 407 M C 1.629 178.029 176.300 0.168 0.000 1.128 407 M CA 0.473 55.950 55.300 0.295 0.000 1.069 407 M CB -0.806 31.924 32.600 0.217 0.000 1.469 407 M HN 0.344 nan 8.290 nan 0.000 0.494 408 L N 2.273 123.528 121.223 0.054 0.000 2.072 408 L HA 0.014 4.359 4.340 0.008 0.000 0.205 408 L C -0.602 176.267 176.870 -0.003 0.000 1.079 408 L CA 2.083 56.929 54.840 0.010 0.000 0.752 408 L CB -1.629 40.416 42.059 -0.023 0.000 0.906 408 L HN 0.074 nan 8.230 nan 0.000 0.436 409 P HA -0.164 nan 4.420 nan 0.000 0.221 409 P C 1.757 178.987 177.300 -0.117 0.000 1.150 409 P CA 1.393 64.424 63.100 -0.116 0.000 0.800 409 P CB -0.065 31.511 31.700 -0.206 0.000 0.787 410 F N 0.227 120.163 119.950 -0.023 0.000 2.039 410 F HA -0.145 4.387 4.527 0.008 0.000 0.294 410 F C 2.637 178.382 175.800 -0.092 0.000 1.130 410 F CA 0.768 58.753 58.000 -0.026 0.000 1.189 410 F CB -1.178 37.834 39.000 0.020 0.000 0.983 410 F HN -0.216 nan 8.300 nan 0.000 0.471 411 L N 0.141 121.419 121.223 0.090 0.000 1.997 411 L HA -0.257 4.088 4.340 0.008 0.000 0.216 411 L C 2.154 179.015 176.870 -0.016 0.000 1.074 411 L CA 1.576 56.395 54.840 -0.035 0.000 0.763 411 L CB -0.875 41.157 42.059 -0.046 0.000 0.890 411 L HN 0.158 nan 8.230 nan 0.000 0.434 412 L N 0.166 121.389 121.223 -0.001 0.000 2.261 412 L HA -0.192 4.153 4.340 0.008 0.000 0.216 412 L C 2.880 179.746 176.870 -0.006 0.000 1.114 412 L CA 2.352 57.190 54.840 -0.005 0.000 0.777 412 L CB -1.181 40.872 42.059 -0.010 0.000 0.910 412 L HN 0.446 nan 8.230 nan 0.000 0.440 413 R N -0.451 120.048 120.500 -0.001 0.000 2.052 413 R HA 0.047 4.392 4.340 0.008 0.000 0.226 413 R C 2.426 178.730 176.300 0.007 0.000 1.145 413 R CA 1.612 57.715 56.100 0.005 0.000 0.952 413 R CB -1.621 28.691 30.300 0.020 0.000 0.847 413 R HN 0.399 nan 8.270 nan 0.000 0.431 414 R N 1.098 121.600 120.500 0.003 0.000 2.211 414 R HA 0.121 4.466 4.340 0.008 0.000 0.240 414 R C 2.388 178.678 176.300 -0.016 0.000 1.144 414 R CA 1.789 57.882 56.100 -0.012 0.000 0.992 414 R CB -1.326 28.941 30.300 -0.055 0.000 0.869 414 R HN 0.574 nan 8.270 nan 0.000 0.462 415 L N -1.419 119.795 121.223 -0.016 0.000 2.418 415 L HA 0.245 4.590 4.340 0.008 0.000 0.218 415 L C 1.573 178.442 176.870 -0.002 0.000 1.125 415 L CA 0.812 55.645 54.840 -0.011 0.000 0.835 415 L CB 0.304 42.357 42.059 -0.009 0.000 0.953 415 L HN 0.617 nan 8.230 nan 0.000 0.454 416 G N 0.372 109.173 108.800 0.001 0.000 2.215 416 G HA2 -0.162 3.803 3.960 0.008 0.000 0.198 416 G HA3 -0.162 3.803 3.960 0.008 0.000 0.198 416 G C -0.379 174.525 174.900 0.007 0.000 1.047 416 G CA -0.204 44.899 45.100 0.004 0.000 0.747 416 G HN 0.045 nan 8.290 nan 0.000 0.495 417 V N -0.075 119.843 119.914 0.006 0.000 2.823 417 V HA 0.548 4.673 4.120 0.008 0.000 0.312 417 V C -0.060 176.035 176.094 0.003 0.000 1.072 417 V CA -1.111 61.197 62.300 0.012 0.000 0.937 417 V CB 2.023 33.860 31.823 0.023 0.000 1.013 417 V HN 0.309 nan 8.190 nan 0.000 0.430 418 D N 5.899 126.302 120.400 0.005 0.000 2.368 418 D HA 0.088 4.733 4.640 0.008 0.000 0.268 418 D C -1.204 175.079 176.300 -0.028 0.000 1.298 418 D CA -1.515 52.477 54.000 -0.012 0.000 0.938 418 D CB 1.510 42.306 40.800 -0.007 0.000 1.101 418 D HN 0.277 nan 8.370 nan 0.000 0.509 419 P HA -0.102 nan 4.420 nan 0.000 0.231 419 P C 0.582 177.828 177.300 -0.090 0.000 1.158 419 P CA 0.447 63.503 63.100 -0.073 0.000 0.763 419 P CB 0.133 31.772 31.700 -0.101 0.000 0.805 420 A N -0.968 121.802 122.820 -0.084 0.000 2.276 420 A HA 0.066 4.391 4.320 0.008 0.000 0.212 420 A C 1.690 179.196 177.584 -0.130 0.000 1.230 420 A CA 0.315 52.291 52.037 -0.100 0.000 0.844 420 A CB -0.952 17.998 19.000 -0.083 0.000 0.860 420 A HN 0.085 nan 8.150 nan 0.000 0.486 421 L N -1.121 120.029 121.223 -0.120 0.000 2.556 421 L HA 0.176 4.521 4.340 0.008 0.000 0.226 421 L C 1.127 177.862 176.870 -0.225 0.000 1.089 421 L CA 0.976 55.715 54.840 -0.169 0.000 0.864 421 L CB 0.374 42.416 42.059 -0.029 0.000 1.067 421 L HN 0.122 nan 8.230 nan 0.000 0.477 422 V N 1.382 121.207 119.914 -0.148 0.000 2.085 422 V HA 0.010 4.135 4.120 0.008 0.000 0.282 422 V C 1.021 177.009 176.094 -0.176 0.000 1.787 422 V CA 0.078 62.297 62.300 -0.134 0.000 1.715 422 V CB -2.031 29.735 31.823 -0.096 0.000 1.501 422 V HN 0.478 nan 8.190 nan 0.000 0.506 423 S N 1.088 116.623 115.700 -0.275 0.000 2.573 423 S HA 0.091 4.566 4.470 0.008 0.000 0.277 423 S C 1.275 175.767 174.600 -0.180 0.000 1.346 423 S CA -0.420 57.618 58.200 -0.270 0.000 1.034 423 S CB 0.752 63.693 63.200 -0.431 0.000 0.879 423 S HN 0.521 nan 8.310 nan 0.000 0.528 424 N N 3.106 121.723 118.700 -0.139 0.000 2.018 424 N HA -0.058 4.687 4.740 0.008 0.000 0.196 424 N C -0.986 174.478 175.510 -0.077 0.000 1.043 424 N CA 1.526 54.520 53.050 -0.094 0.000 0.856 424 N CB -2.218 36.223 38.487 -0.077 0.000 1.042 424 N HN 0.512 nan 8.380 nan 0.000 0.423 425 P HA -0.163 nan 4.420 nan 0.000 0.217 425 P C 1.927 179.213 177.300 -0.024 0.000 1.158 425 P CA 0.944 64.016 63.100 -0.046 0.000 0.887 425 P CB -0.094 31.576 31.700 -0.050 0.000 0.792 426 L N -0.856 120.336 121.223 -0.052 0.000 2.079 426 L HA -0.163 4.182 4.340 0.008 0.000 0.210 426 L C 1.976 178.847 176.870 0.002 0.000 1.081 426 L CA 1.591 56.434 54.840 0.003 0.000 0.752 426 L CB -0.536 41.500 42.059 -0.039 0.000 0.896 426 L HN -0.160 nan 8.230 nan 0.000 0.433 427 V N 0.050 119.945 119.914 -0.032 0.000 2.427 427 V HA -0.227 3.898 4.120 0.008 0.000 0.248 427 V C 2.741 178.831 176.094 -0.006 0.000 1.051 427 V CA 1.529 63.814 62.300 -0.025 0.000 1.048 427 V CB -1.127 30.667 31.823 -0.048 0.000 0.666 427 V HN 0.591 nan 8.190 nan 0.000 0.456 428 A N 0.049 122.865 122.820 -0.007 0.000 1.840 428 A HA -0.186 4.139 4.320 0.008 0.000 0.214 428 A C 2.413 180.009 177.584 0.019 0.000 1.198 428 A CA 2.304 54.344 52.037 0.004 0.000 0.608 428 A CB -1.210 17.788 19.000 -0.003 0.000 0.839 428 A HN 0.433 nan 8.150 nan 0.000 0.443 429 T N 0.327 114.896 114.554 0.025 0.000 2.721 429 T HA -0.174 4.181 4.350 0.008 0.000 0.268 429 T C 1.741 176.468 174.700 0.045 0.000 1.038 429 T CA 1.581 63.703 62.100 0.037 0.000 1.145 429 T CB -0.355 68.545 68.868 0.053 0.000 0.858 429 T HN 0.325 nan 8.240 nan 0.000 0.459 430 L N 0.205 121.458 121.223 0.049 0.000 2.240 430 L HA 0.040 4.385 4.340 0.008 0.000 0.211 430 L C 2.283 179.196 176.870 0.071 0.000 1.106 430 L CA 0.836 55.712 54.840 0.061 0.000 0.793 430 L CB -0.101 41.993 42.059 0.058 0.000 0.927 430 L HN 0.204 nan 8.230 nan 0.000 0.446 431 S N -0.611 115.124 115.700 0.058 0.000 2.527 431 S HA -0.075 4.400 4.470 0.008 0.000 0.222 431 S C 1.101 175.737 174.600 0.061 0.000 0.985 431 S CA 0.251 58.495 58.200 0.073 0.000 0.921 431 S CB -0.004 63.225 63.200 0.049 0.000 0.772 431 S HN 0.442 nan 8.310 nan 0.000 0.529 432 D N 1.350 121.775 120.400 0.043 0.000 2.106 432 D HA -0.012 4.633 4.640 0.008 0.000 0.203 432 D C 1.984 178.299 176.300 0.025 0.000 0.977 432 D CA 0.865 54.882 54.000 0.028 0.000 0.844 432 D CB -0.609 40.203 40.800 0.021 0.000 1.002 432 D HN 0.134 nan 8.370 nan 0.000 0.461 433 V N 1.380 121.313 119.914 0.032 0.000 2.764 433 V HA -0.225 3.899 4.120 0.008 0.000 0.261 433 V C 2.304 178.413 176.094 0.025 0.000 1.108 433 V CA 2.226 64.541 62.300 0.026 0.000 1.129 433 V CB -1.154 30.693 31.823 0.040 0.000 0.701 433 V HN 0.384 nan 8.190 nan 0.000 0.495 434 T N -3.537 111.047 114.554 0.050 0.000 3.038 434 T HA 0.160 4.515 4.350 0.008 0.000 0.244 434 T C 2.006 176.710 174.700 0.005 0.000 1.016 434 T CA 0.741 62.865 62.100 0.039 0.000 1.098 434 T CB -0.122 68.854 68.868 0.180 0.000 0.954 434 T HN 0.362 nan 8.240 nan 0.000 0.469 435 G N 2.371 111.196 108.800 0.041 0.000 2.491 435 G HA2 -0.141 3.824 3.960 0.008 0.000 0.218 435 G HA3 -0.141 3.824 3.960 0.008 0.000 0.218 435 G C 1.461 176.373 174.900 0.020 0.000 1.180 435 G CA 1.072 46.192 45.100 0.034 0.000 0.774 435 G HN 0.473 nan 8.290 nan 0.000 0.562 436 L N -0.072 121.148 121.223 -0.006 0.000 1.970 436 L HA -0.074 4.271 4.340 0.008 0.000 0.212 436 L C 3.000 179.792 176.870 -0.130 0.000 1.071 436 L CA 0.886 55.704 54.840 -0.037 0.000 0.751 436 L CB -0.557 41.445 42.059 -0.094 0.000 0.889 436 L HN 0.199 nan 8.230 nan 0.000 0.432 437 L N -0.478 120.646 121.223 -0.165 0.000 2.064 437 L HA -0.322 4.023 4.340 0.008 0.000 0.216 437 L C 2.551 179.346 176.870 -0.125 0.000 1.077 437 L CA 1.320 56.048 54.840 -0.187 0.000 0.766 437 L CB -0.674 41.316 42.059 -0.114 0.000 0.890 437 L HN 0.305 nan 8.230 nan 0.000 0.435 438 I N -1.325 119.197 120.570 -0.081 0.000 2.163 438 I HA -0.306 3.869 4.170 0.008 0.000 0.240 438 I C 2.529 178.667 176.117 0.035 0.000 1.081 438 I CA 1.676 62.953 61.300 -0.038 0.000 1.353 438 I CB -1.308 36.674 38.000 -0.030 0.000 1.054 438 I HN 0.233 nan 8.210 nan 0.000 0.407 439 Y N 2.203 122.453 120.300 -0.083 0.000 2.114 439 Y HA -0.136 4.419 4.550 0.008 0.000 0.284 439 Y C 2.419 178.279 175.900 -0.068 0.000 1.143 439 Y CA 1.502 59.565 58.100 -0.062 0.000 1.135 439 Y CB -0.619 37.809 38.460 -0.054 0.000 0.980 439 Y HN 0.014 nan 8.280 nan 0.000 0.499 440 L N -0.501 120.578 121.223 -0.239 0.000 2.633 440 L HA -0.107 4.237 4.340 0.008 0.000 0.235 440 L C 1.925 178.744 176.870 -0.084 0.000 1.163 440 L CA 0.951 55.598 54.840 -0.322 0.000 0.859 440 L CB -0.510 41.211 42.059 -0.564 0.000 0.973 440 L HN 0.193 nan 8.230 nan 0.000 0.451 441 S N -1.049 114.617 115.700 -0.056 0.000 2.497 441 S HA 0.013 4.488 4.470 0.008 0.000 0.221 441 S C 1.707 176.302 174.600 -0.009 0.000 1.037 441 S CA 0.067 58.288 58.200 0.036 0.000 0.920 441 S CB 0.504 63.728 63.200 0.040 0.000 0.800 441 S HN 0.161 nan 8.310 nan 0.000 0.505 442 V N 1.575 121.463 119.914 -0.043 0.000 3.510 442 V HA 0.198 4.323 4.120 0.008 0.000 0.270 442 V C 1.669 177.711 176.094 -0.087 0.000 1.201 442 V CA 1.170 63.449 62.300 -0.036 0.000 1.166 442 V CB -0.545 31.286 31.823 0.014 0.000 0.825 442 V HN 0.478 nan 8.190 nan 0.000 0.484 443 A N 0.134 122.864 122.820 -0.150 0.000 2.419 443 A HA 0.246 4.571 4.320 0.008 0.000 0.233 443 A C 2.065 179.608 177.584 -0.068 0.000 1.217 443 A CA 0.233 52.172 52.037 -0.164 0.000 0.944 443 A CB 0.072 18.866 19.000 -0.343 0.000 1.025 443 A HN 0.398 nan 8.150 nan 0.000 0.524 444 R N -0.583 119.905 120.500 -0.020 0.000 2.189 444 R HA 0.330 4.675 4.340 0.008 0.000 0.203 444 R C 1.577 177.874 176.300 -0.004 0.000 1.012 444 R CA 0.938 57.045 56.100 0.011 0.000 1.015 444 R CB -0.270 30.067 30.300 0.062 0.000 0.938 444 R HN 0.427 nan 8.270 nan 0.000 0.472 445 L N -0.601 120.618 121.223 -0.006 0.000 2.200 445 L HA 0.090 4.435 4.340 0.008 0.000 0.200 445 L C 1.366 178.230 176.870 -0.010 0.000 1.072 445 L CA 0.436 55.272 54.840 -0.006 0.000 0.787 445 L CB -0.086 41.972 42.059 -0.002 0.000 0.957 445 L HN 0.247 nan 8.230 nan 0.000 0.459 446 L N 0.381 121.595 121.223 -0.015 0.000 2.465 446 L HA -0.129 4.216 4.340 0.008 0.000 0.224 446 L C 2.005 178.869 176.870 -0.010 0.000 1.145 446 L CA 1.282 56.115 54.840 -0.011 0.000 0.834 446 L CB -0.572 41.480 42.059 -0.013 0.000 0.944 446 L HN 0.350 nan 8.230 nan 0.000 0.451 447 L N -0.543 120.671 121.223 -0.015 0.000 2.189 447 L HA 0.118 4.463 4.340 0.008 0.000 0.199 447 L C 1.507 178.372 176.870 -0.007 0.000 1.074 447 L CA 0.847 55.681 54.840 -0.011 0.000 0.783 447 L CB -0.389 41.660 42.059 -0.017 0.000 0.955 447 L HN 0.165 nan 8.230 nan 0.000 0.460 448 E N 0.000 120.194 120.200 -0.010 0.000 2.725 448 E HA 0.000 4.355 4.350 0.008 0.000 0.291 448 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 448 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440