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 2xdw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.642 32.600 0.070 0.000 1.302 2 L N 2.975 124.119 121.223 -0.131 0.000 2.454 2 L HA 0.237 4.577 4.340 0.001 0.000 0.284 2 L C 0.546 177.159 176.870 -0.428 0.000 1.139 2 L CA 0.799 55.377 54.840 -0.438 0.000 0.911 2 L CB 0.598 42.288 42.059 -0.615 0.000 1.262 2 L HN 0.255 nan 8.230 nan 0.000 0.453 3 S N 3.185 118.718 115.700 -0.278 0.000 2.572 3 S HA 0.269 4.740 4.470 0.001 0.000 0.228 3 S C -0.026 174.554 174.600 -0.033 0.000 0.963 3 S CA -0.406 57.736 58.200 -0.097 0.000 0.939 3 S CB -0.383 62.842 63.200 0.041 0.000 0.804 3 S HN 0.448 nan 8.310 nan 0.000 0.480 4 F N 0.885 120.797 119.950 -0.065 0.000 2.631 4 F HA 0.767 5.294 4.527 0.001 0.000 0.328 4 F C -0.613 175.072 175.800 -0.192 0.000 1.067 4 F CA -1.531 56.409 58.000 -0.101 0.000 0.969 4 F CB 0.881 39.826 39.000 -0.093 0.000 1.332 4 F HN -0.062 nan 8.300 nan 0.000 0.490 5 Q N 1.200 121.077 119.800 0.128 0.000 2.365 5 Q HA 0.417 4.758 4.340 0.001 0.000 0.269 5 Q C -1.946 174.115 176.000 0.102 0.000 1.061 5 Q CA -0.803 55.003 55.803 0.005 0.000 0.816 5 Q CB 1.772 30.520 28.738 0.018 0.000 1.325 5 Q HN 0.740 nan 8.270 nan 0.000 0.446 6 Y N 2.478 122.897 120.300 0.197 0.000 2.497 6 Y HA 0.221 4.772 4.550 0.001 0.000 0.334 6 Y C -1.748 174.196 175.900 0.073 0.000 1.199 6 Y CA -1.554 56.619 58.100 0.123 0.000 1.425 6 Y CB -0.074 38.442 38.460 0.093 0.000 1.291 6 Y HN 0.563 nan 8.280 nan 0.000 0.562 7 P HA 0.029 nan 4.420 nan 0.000 0.272 7 P C -0.790 176.613 177.300 0.172 0.000 1.223 7 P CA -0.305 62.870 63.100 0.125 0.000 0.784 7 P CB 0.703 32.421 31.700 0.029 0.000 0.923 8 D N 0.671 121.173 120.400 0.170 0.000 2.425 8 D HA 0.174 4.814 4.640 0.001 0.000 0.247 8 D C -0.270 176.190 176.300 0.267 0.000 1.147 8 D CA 0.402 54.526 54.000 0.205 0.000 0.879 8 D CB 0.684 41.587 40.800 0.172 0.000 1.179 8 D HN -0.009 nan 8.370 nan 0.000 0.456 9 V N 3.498 123.609 119.914 0.329 0.000 2.524 9 V HA 0.035 4.155 4.120 0.001 0.000 0.297 9 V C -0.434 175.972 176.094 0.521 0.000 1.035 9 V CA -1.052 61.540 62.300 0.488 0.000 0.867 9 V CB 1.267 33.370 31.823 0.467 0.000 1.004 9 V HN 0.424 nan 8.190 nan 0.000 0.426 10 Y N 5.544 126.081 120.300 0.396 0.000 2.717 10 Y HA 0.188 4.738 4.550 0.001 0.000 0.330 10 Y C 0.773 176.902 175.900 0.383 0.000 1.217 10 Y CA 0.267 58.502 58.100 0.225 0.000 1.506 10 Y CB 0.405 38.799 38.460 -0.110 0.000 1.268 10 Y HN 0.550 nan 8.280 nan 0.000 0.561 11 R N 4.715 124.843 120.500 -0.620 0.000 2.265 11 R HA 0.118 4.459 4.340 0.001 0.000 0.328 11 R C -1.086 174.670 176.300 -0.907 0.000 0.969 11 R CA -0.822 54.889 56.100 -0.647 0.000 0.832 11 R CB 0.613 30.543 30.300 -0.617 0.000 1.139 11 R HN 0.606 nan 8.270 nan 0.000 0.457 12 D N 3.116 123.274 120.400 -0.404 0.000 2.435 12 D HA -0.005 4.636 4.640 0.001 0.000 0.230 12 D C 0.491 176.696 176.300 -0.159 0.000 1.215 12 D CA 0.035 53.948 54.000 -0.145 0.000 0.947 12 D CB 0.757 41.668 40.800 0.184 0.000 1.048 12 D HN 0.391 nan 8.370 nan 0.000 0.512 13 E N 1.460 121.548 120.200 -0.186 0.000 2.478 13 E HA -0.098 4.253 4.350 0.001 0.000 0.198 13 E C 1.642 178.209 176.600 -0.056 0.000 1.046 13 E CA 0.589 56.911 56.400 -0.129 0.000 0.870 13 E CB -0.103 29.527 29.700 -0.117 0.000 0.818 13 E HN 0.622 nan 8.360 nan 0.000 0.527 14 T N -1.869 112.671 114.554 -0.024 0.000 3.088 14 T HA 0.207 4.557 4.350 0.001 0.000 0.259 14 T C 1.095 175.798 174.700 0.005 0.000 1.122 14 T CA 0.292 62.392 62.100 0.000 0.000 1.095 14 T CB 0.079 68.959 68.868 0.019 0.000 0.930 14 T HN 0.048 nan 8.240 nan 0.000 0.508 15 A N 1.842 124.664 122.820 0.004 0.000 2.666 15 A HA 0.625 4.945 4.320 0.001 0.000 0.301 15 A C -0.128 177.467 177.584 0.019 0.000 1.470 15 A CA -0.501 51.547 52.037 0.018 0.000 1.159 15 A CB -0.867 18.150 19.000 0.027 0.000 1.116 15 A HN 0.676 nan 8.150 nan 0.000 0.548 16 I N 1.549 122.130 120.570 0.018 0.000 2.499 16 I HA 0.365 4.536 4.170 0.001 0.000 0.288 16 I C -0.274 175.849 176.117 0.010 0.000 1.048 16 I CA -0.329 60.988 61.300 0.029 0.000 1.062 16 I CB 2.175 40.186 38.000 0.017 0.000 1.238 16 I HN 0.718 nan 8.210 nan 0.000 0.426 17 Q N 4.286 124.103 119.800 0.028 0.000 2.347 17 Q HA 0.349 4.689 4.340 0.001 0.000 0.271 17 Q C -1.623 174.327 176.000 -0.084 0.000 1.064 17 Q CA -0.769 54.989 55.803 -0.074 0.000 0.800 17 Q CB 2.751 31.407 28.738 -0.135 0.000 1.304 17 Q HN 0.647 nan 8.270 nan 0.000 0.438 18 D N 2.116 122.396 120.400 -0.199 0.000 2.280 18 D HA 0.193 4.833 4.640 0.001 0.000 0.243 18 D C -1.613 174.433 176.300 -0.422 0.000 1.129 18 D CA -0.001 53.885 54.000 -0.191 0.000 0.848 18 D CB 0.464 41.166 40.800 -0.164 0.000 1.107 18 D HN 0.366 nan 8.370 nan 0.000 0.471 19 Y N 4.154 124.215 120.300 -0.399 0.000 2.587 19 Y HA 0.232 4.783 4.550 0.001 0.000 0.328 19 Y C 0.115 175.564 175.900 -0.750 0.000 0.980 19 Y CA -0.654 56.977 58.100 -0.781 0.000 1.272 19 Y CB 0.328 38.116 38.460 -1.121 0.000 1.094 19 Y HN 0.558 nan 8.280 nan 0.000 0.503 20 H N 1.592 120.503 119.070 -0.265 0.000 2.741 20 H HA -0.227 4.330 4.556 0.001 0.000 0.305 20 H C 1.441 176.699 175.328 -0.116 0.000 1.169 20 H CA 1.005 56.940 56.048 -0.189 0.000 1.144 20 H CB -1.476 28.164 29.762 -0.204 0.000 1.397 20 H HN 1.073 nan 8.280 nan 0.000 0.409 21 G N -0.544 108.226 108.800 -0.049 0.000 2.194 21 G HA2 -0.309 3.652 3.960 0.001 0.000 0.236 21 G HA3 -0.309 3.652 3.960 0.001 0.000 0.236 21 G C -0.028 174.897 174.900 0.041 0.000 0.987 21 G CA 0.495 45.593 45.100 -0.004 0.000 0.635 21 G HN 0.884 nan 8.290 nan 0.000 0.520 22 H N 1.376 120.408 119.070 -0.063 0.000 2.556 22 H HA 0.592 5.149 4.556 0.001 0.000 0.310 22 H C -0.034 175.316 175.328 0.037 0.000 1.057 22 H CA -0.871 55.188 56.048 0.018 0.000 1.264 22 H CB 0.481 30.300 29.762 0.094 0.000 1.404 22 H HN -0.080 nan 8.280 nan 0.000 0.462 23 K N 4.429 124.973 120.400 0.240 0.000 2.276 23 K HA 0.246 4.566 4.320 0.001 0.000 0.283 23 K C -0.873 175.926 176.600 0.332 0.000 1.044 23 K CA -0.591 55.820 56.287 0.207 0.000 0.944 23 K CB 1.788 34.344 32.500 0.093 0.000 1.012 23 K HN 0.294 nan 8.250 nan 0.000 0.472 24 V N 3.111 123.202 119.914 0.294 0.000 2.531 24 V HA 0.207 4.327 4.120 0.001 0.000 0.301 24 V C -0.248 175.966 176.094 0.200 0.000 1.034 24 V CA -0.965 61.498 62.300 0.272 0.000 0.865 24 V CB 1.815 33.796 31.823 0.263 0.000 0.995 24 V HN 0.794 nan 8.190 nan 0.000 0.424 25 C N 3.227 122.621 119.300 0.157 0.000 2.388 25 C HA 0.503 4.963 4.460 0.001 0.000 0.362 25 C C 0.459 175.500 174.990 0.085 0.000 1.266 25 C CA -0.235 58.836 59.018 0.088 0.000 2.028 25 C CB 0.542 28.306 27.740 0.040 0.000 2.440 25 C HN 0.925 nan 8.230 nan 0.000 0.547 26 D N 2.663 123.087 120.400 0.039 0.000 2.613 26 D HA 0.274 4.914 4.640 0.001 0.000 0.312 26 D C -1.352 174.885 176.300 -0.106 0.000 1.202 26 D CA -1.238 52.771 54.000 0.015 0.000 0.825 26 D CB 0.702 41.558 40.800 0.093 0.000 1.113 26 D HN 0.297 nan 8.370 nan 0.000 0.502 27 P HA -0.106 nan 4.420 nan 0.000 0.226 27 P C 0.304 177.292 177.300 -0.520 0.000 1.153 27 P CA 0.681 63.505 63.100 -0.460 0.000 0.777 27 P CB 0.068 31.314 31.700 -0.757 0.000 0.794 28 Y N -0.924 119.266 120.300 -0.183 0.000 2.625 28 Y HA 0.482 5.033 4.550 0.001 0.000 0.285 28 Y C 2.272 177.824 175.900 -0.581 0.000 1.168 28 Y CA -0.517 57.257 58.100 -0.543 0.000 1.250 28 Y CB -1.034 37.094 38.460 -0.554 0.000 1.130 28 Y HN -0.073 nan 8.280 nan 0.000 0.526 29 A N 1.312 124.042 122.820 -0.151 0.000 1.986 29 A HA -0.202 4.119 4.320 0.001 0.000 0.220 29 A C 1.931 179.486 177.584 -0.048 0.000 1.171 29 A CA 1.751 53.753 52.037 -0.059 0.000 0.640 29 A CB -1.090 17.936 19.000 0.044 0.000 0.811 29 A HN 0.827 nan 8.150 nan 0.000 0.451 30 W N -0.424 120.883 121.300 0.011 0.000 2.421 30 W HA -0.056 4.604 4.660 0.001 0.000 0.270 30 W C 1.009 177.499 176.519 -0.048 0.000 1.233 30 W CA 0.691 58.036 57.345 0.001 0.000 1.226 30 W CB -1.057 28.426 29.460 0.038 0.000 1.121 30 W HN 0.245 nan 8.180 nan 0.000 0.579 31 L N 1.264 122.142 121.223 -0.575 0.000 2.549 31 L HA -0.098 4.242 4.340 0.001 0.000 0.229 31 L C 2.194 178.885 176.870 -0.297 0.000 1.158 31 L CA 1.104 55.609 54.840 -0.559 0.000 0.842 31 L CB -0.559 40.933 42.059 -0.946 0.000 0.952 31 L HN 0.000 nan 8.230 nan 0.000 0.452 32 E N -0.558 119.515 120.200 -0.212 0.000 2.338 32 E HA -0.149 4.202 4.350 0.001 0.000 0.197 32 E C 0.434 176.954 176.600 -0.134 0.000 1.007 32 E CA 0.333 56.608 56.400 -0.208 0.000 0.849 32 E CB 0.054 29.680 29.700 -0.122 0.000 0.774 32 E HN 0.235 nan 8.360 nan 0.000 0.506 33 D N 0.511 120.886 120.400 -0.041 0.000 2.396 33 D HA 0.038 4.678 4.640 0.001 0.000 0.225 33 D C -1.672 174.626 176.300 -0.004 0.000 1.121 33 D CA -2.585 51.416 54.000 0.000 0.000 0.853 33 D CB 1.180 42.015 40.800 0.058 0.000 1.043 33 D HN -0.116 nan 8.370 nan 0.000 0.500 34 P HA -0.014 nan 4.420 nan 0.000 0.229 34 P C 0.227 177.530 177.300 0.004 0.000 1.160 34 P CA 0.543 63.628 63.100 -0.026 0.000 0.777 34 P CB 0.667 32.336 31.700 -0.051 0.000 0.814 35 D N -0.349 120.058 120.400 0.012 0.000 2.360 35 D HA 0.008 4.649 4.640 0.001 0.000 0.210 35 D C 0.938 177.258 176.300 0.033 0.000 1.047 35 D CA 0.396 54.406 54.000 0.017 0.000 0.854 35 D CB 0.171 40.977 40.800 0.010 0.000 0.936 35 D HN 0.249 nan 8.370 nan 0.000 0.514 36 S N 0.651 116.383 115.700 0.053 0.000 2.592 36 S HA 0.098 4.569 4.470 0.001 0.000 0.271 36 S C 1.283 175.925 174.600 0.069 0.000 1.326 36 S CA -0.521 57.715 58.200 0.061 0.000 1.024 36 S CB 2.035 65.288 63.200 0.088 0.000 0.921 36 S HN -0.136 nan 8.310 nan 0.000 0.527 37 E N 1.899 122.125 120.200 0.044 0.000 2.110 37 E HA -0.183 4.168 4.350 0.001 0.000 0.193 37 E C 2.002 178.647 176.600 0.075 0.000 0.988 37 E CA 1.469 57.896 56.400 0.045 0.000 0.804 37 E CB -0.506 29.203 29.700 0.015 0.000 0.745 37 E HN 0.797 nan 8.360 nan 0.000 0.458 38 Q N 0.036 119.876 119.800 0.067 0.000 2.061 38 Q HA -0.099 4.242 4.340 0.001 0.000 0.204 38 Q C 2.277 178.492 176.000 0.357 0.000 0.984 38 Q CA 2.089 57.955 55.803 0.105 0.000 0.846 38 Q CB -0.622 28.064 28.738 -0.087 0.000 0.902 38 Q HN 0.197 nan 8.270 nan 0.000 0.421 39 T N 0.680 115.442 114.554 0.347 0.000 2.777 39 T HA -0.111 4.239 4.350 0.001 0.000 0.266 39 T C 1.540 176.392 174.700 0.253 0.000 1.040 39 T CA 1.302 63.585 62.100 0.305 0.000 1.141 39 T CB -0.127 68.834 68.868 0.156 0.000 0.868 39 T HN 0.212 nan 8.240 nan 0.000 0.444 40 K N 1.156 121.659 120.400 0.171 0.000 2.097 40 K HA 0.027 4.347 4.320 0.001 0.000 0.206 40 K C 2.619 179.307 176.600 0.148 0.000 1.049 40 K CA 1.195 57.560 56.287 0.131 0.000 0.933 40 K CB -0.248 32.302 32.500 0.084 0.000 0.717 40 K HN 0.275 nan 8.250 nan 0.000 0.442 41 A N 0.896 123.816 122.820 0.167 0.000 1.930 41 A HA -0.152 4.169 4.320 0.001 0.000 0.217 41 A C 1.958 179.658 177.584 0.193 0.000 1.175 41 A CA 0.958 53.083 52.037 0.148 0.000 0.627 41 A CB -0.615 18.463 19.000 0.129 0.000 0.815 41 A HN 0.359 nan 8.150 nan 0.000 0.443 42 F N 0.765 120.798 119.950 0.139 0.000 2.095 42 F HA -0.181 4.347 4.527 0.001 0.000 0.298 42 F C 2.210 178.043 175.800 0.055 0.000 1.104 42 F CA 2.138 60.215 58.000 0.128 0.000 1.232 42 F CB -0.330 38.773 39.000 0.171 0.000 0.987 42 F HN 0.030 nan 8.300 nan 0.000 0.475 43 V N 0.400 120.453 119.914 0.232 0.000 2.295 43 V HA -0.306 3.815 4.120 0.001 0.000 0.246 43 V C 2.346 178.426 176.094 -0.024 0.000 1.049 43 V CA 2.249 64.599 62.300 0.083 0.000 1.024 43 V CB -0.769 31.130 31.823 0.126 0.000 0.648 43 V HN 0.374 nan 8.190 nan 0.000 0.447 44 E N 0.729 120.938 120.200 0.014 0.000 2.077 44 E HA -0.181 4.170 4.350 0.001 0.000 0.193 44 E C 2.114 178.691 176.600 -0.038 0.000 0.989 44 E CA 1.693 58.094 56.400 0.002 0.000 0.800 44 E CB -0.488 29.229 29.700 0.027 0.000 0.746 44 E HN 0.515 nan 8.360 nan 0.000 0.452 45 A N 0.323 123.102 122.820 -0.068 0.000 1.930 45 A HA -0.184 4.137 4.320 0.001 0.000 0.217 45 A C 2.118 179.605 177.584 -0.161 0.000 1.175 45 A CA 1.454 53.436 52.037 -0.092 0.000 0.627 45 A CB -0.450 18.503 19.000 -0.079 0.000 0.815 45 A HN 0.235 nan 8.150 nan 0.000 0.443 46 Q N 0.077 119.712 119.800 -0.276 0.000 2.049 46 Q HA -0.112 4.228 4.340 0.001 0.000 0.198 46 Q C 1.716 177.626 176.000 -0.150 0.000 0.971 46 Q CA 1.327 56.961 55.803 -0.280 0.000 0.833 46 Q CB -0.569 27.918 28.738 -0.418 0.000 0.896 46 Q HN 0.633 nan 8.270 nan 0.000 0.434 47 N N 1.216 119.868 118.700 -0.080 0.000 2.205 47 N HA -0.158 4.582 4.740 0.001 0.000 0.186 47 N C 1.581 177.080 175.510 -0.018 0.000 1.015 47 N CA 0.970 54.027 53.050 0.013 0.000 0.862 47 N CB -0.191 38.336 38.487 0.067 0.000 0.986 47 N HN 0.291 nan 8.380 nan 0.000 0.429 48 K N 1.178 121.553 120.400 -0.042 0.000 2.147 48 K HA -0.075 4.245 4.320 0.001 0.000 0.205 48 K C 1.929 178.489 176.600 -0.066 0.000 1.049 48 K CA 0.924 57.191 56.287 -0.035 0.000 0.936 48 K CB 0.007 32.492 32.500 -0.025 0.000 0.722 48 K HN 0.351 nan 8.250 nan 0.000 0.446 49 I N -3.097 117.390 120.570 -0.138 0.000 2.867 49 I HA -0.002 4.168 4.170 0.001 0.000 0.265 49 I C 1.625 177.561 176.117 -0.303 0.000 1.162 49 I CA 0.555 61.691 61.300 -0.272 0.000 1.471 49 I CB -0.338 37.383 38.000 -0.466 0.000 1.123 49 I HN -0.134 nan 8.210 nan 0.000 0.440 50 T N 1.611 116.037 114.554 -0.214 0.000 2.812 50 T HA -0.031 4.319 4.350 0.001 0.000 0.264 50 T C 2.103 176.775 174.700 -0.047 0.000 1.042 50 T CA 1.638 63.652 62.100 -0.144 0.000 1.140 50 T CB -0.211 68.591 68.868 -0.108 0.000 0.870 50 T HN 0.191 nan 8.240 nan 0.000 0.445 51 V N 2.259 122.135 119.914 -0.063 0.000 2.343 51 V HA -0.088 4.032 4.120 0.001 0.000 0.247 51 V C -0.579 175.507 176.094 -0.013 0.000 1.051 51 V CA 1.616 63.872 62.300 -0.073 0.000 1.036 51 V CB -1.478 30.308 31.823 -0.062 0.000 0.654 51 V HN 0.359 nan 8.190 nan 0.000 0.451 52 P HA -0.143 nan 4.420 nan 0.000 0.218 52 P C 1.659 179.005 177.300 0.077 0.000 1.149 52 P CA 1.246 64.368 63.100 0.037 0.000 0.817 52 P CB -0.092 31.636 31.700 0.047 0.000 0.785 53 F N 0.186 120.123 119.950 -0.021 0.000 2.146 53 F HA -0.122 4.405 4.527 0.001 0.000 0.298 53 F C 1.892 177.725 175.800 0.055 0.000 1.096 53 F CA 1.429 59.456 58.000 0.044 0.000 1.275 53 F CB -0.683 38.342 39.000 0.042 0.000 1.008 53 F HN -0.265 nan 8.300 nan 0.000 0.480 54 L N -0.160 121.164 121.223 0.170 0.000 2.056 54 L HA -0.151 4.190 4.340 0.001 0.000 0.207 54 L C 2.109 178.963 176.870 -0.027 0.000 1.078 54 L CA 1.487 56.376 54.840 0.081 0.000 0.749 54 L CB -0.690 41.402 42.059 0.055 0.000 0.901 54 L HN 0.134 nan 8.230 nan 0.000 0.433 55 E N -0.495 119.685 120.200 -0.033 0.000 2.435 55 E HA -0.185 4.166 4.350 0.001 0.000 0.195 55 E C 1.965 178.532 176.600 -0.056 0.000 1.029 55 E CA 0.145 56.521 56.400 -0.040 0.000 0.865 55 E CB 0.137 29.820 29.700 -0.029 0.000 0.833 55 E HN 0.465 nan 8.360 nan 0.000 0.510 56 Q N 0.407 120.157 119.800 -0.084 0.000 2.020 56 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 56 Q C 0.362 176.309 176.000 -0.089 0.000 0.982 56 Q CA 0.962 56.714 55.803 -0.086 0.000 0.838 56 Q CB 0.150 28.822 28.738 -0.110 0.000 0.899 56 Q HN 0.213 nan 8.270 nan 0.000 0.423 57 C N 2.262 121.492 119.300 -0.117 0.000 2.514 57 C HA 0.199 4.659 4.460 0.001 0.000 0.392 57 C C -1.249 173.700 174.990 -0.069 0.000 1.294 57 C CA -1.371 57.594 59.018 -0.088 0.000 1.957 57 C CB 0.629 28.310 27.740 -0.097 0.000 2.541 57 C HN 0.491 nan 8.230 nan 0.000 0.569 58 P HA -0.178 nan 4.420 nan 0.000 0.219 58 P C 1.443 178.670 177.300 -0.121 0.000 1.145 58 P CA 1.178 64.227 63.100 -0.084 0.000 0.813 58 P CB -0.049 31.607 31.700 -0.073 0.000 0.771 59 I N -0.790 119.730 120.570 -0.084 0.000 2.335 59 I HA -0.281 3.890 4.170 0.001 0.000 0.251 59 I C 2.512 178.573 176.117 -0.093 0.000 1.129 59 I CA 1.380 62.625 61.300 -0.092 0.000 1.402 59 I CB -0.089 37.951 38.000 0.066 0.000 1.069 59 I HN -0.183 nan 8.210 nan 0.000 0.424 60 R N 0.332 120.807 120.500 -0.043 0.000 2.091 60 R HA -0.164 4.176 4.340 0.001 0.000 0.238 60 R C 2.233 178.515 176.300 -0.030 0.000 1.136 60 R CA 1.693 57.790 56.100 -0.005 0.000 0.959 60 R CB -0.688 29.607 30.300 -0.009 0.000 0.856 60 R HN 0.520 nan 8.270 nan 0.000 0.437 61 G N 0.602 109.347 108.800 -0.091 0.000 2.422 61 G HA2 -0.184 3.777 3.960 0.001 0.000 0.218 61 G HA3 -0.184 3.777 3.960 0.001 0.000 0.218 61 G C 1.457 176.235 174.900 -0.203 0.000 1.140 61 G CA 0.366 45.402 45.100 -0.107 0.000 0.775 61 G HN 0.216 nan 8.290 nan 0.000 0.545 62 L N -1.092 119.901 121.223 -0.383 0.000 2.046 62 L HA -0.056 4.284 4.340 0.001 0.000 0.208 62 L C 2.551 178.974 176.870 -0.745 0.000 1.077 62 L CA 1.198 55.593 54.840 -0.742 0.000 0.747 62 L CB -0.479 40.753 42.059 -1.379 0.000 0.896 62 L HN 0.261 nan 8.230 nan 0.000 0.432 63 Y N 0.968 120.895 120.300 -0.623 0.000 2.163 63 Y HA -0.283 4.267 4.550 0.001 0.000 0.288 63 Y C 2.743 178.602 175.900 -0.068 0.000 1.136 63 Y CA 1.841 59.822 58.100 -0.197 0.000 1.147 63 Y CB -0.102 38.386 38.460 0.047 0.000 0.987 63 Y HN 0.002 nan 8.280 nan 0.000 0.509 64 K N 0.447 120.934 120.400 0.146 0.000 2.063 64 K HA -0.288 4.032 4.320 0.001 0.000 0.208 64 K C 2.235 178.829 176.600 -0.010 0.000 1.048 64 K CA 1.985 58.333 56.287 0.101 0.000 0.928 64 K CB -0.349 32.196 32.500 0.076 0.000 0.713 64 K HN 0.539 nan 8.250 nan 0.000 0.442 65 E N 0.123 120.282 120.200 -0.070 0.000 2.051 65 E HA -0.262 4.088 4.350 0.001 0.000 0.192 65 E C 2.148 178.710 176.600 -0.064 0.000 0.991 65 E CA 1.140 57.501 56.400 -0.066 0.000 0.799 65 E CB -0.016 29.628 29.700 -0.094 0.000 0.748 65 E HN 0.110 nan 8.360 nan 0.000 0.449 66 R N 0.184 120.615 120.500 -0.115 0.000 2.092 66 R HA -0.103 4.238 4.340 0.001 0.000 0.231 66 R C 2.229 178.470 176.300 -0.099 0.000 1.119 66 R CA 1.643 57.685 56.100 -0.096 0.000 0.970 66 R CB -0.482 29.757 30.300 -0.102 0.000 0.864 66 R HN 0.276 nan 8.270 nan 0.000 0.440 67 M N -0.418 119.074 119.600 -0.180 0.000 2.117 67 M HA -0.101 4.379 4.480 0.001 0.000 0.262 67 M C 1.668 178.000 176.300 0.054 0.000 1.065 67 M CA 2.024 57.261 55.300 -0.105 0.000 1.114 67 M CB -0.563 31.978 32.600 -0.098 0.000 1.361 67 M HN 0.130 nan 8.290 nan 0.000 0.408 68 T N 0.090 114.675 114.554 0.051 0.000 2.746 68 T HA -0.198 4.153 4.350 0.001 0.000 0.267 68 T C 1.700 176.456 174.700 0.092 0.000 1.039 68 T CA 1.810 63.963 62.100 0.088 0.000 1.142 68 T CB -0.360 68.540 68.868 0.053 0.000 0.866 68 T HN 0.619 nan 8.240 nan 0.000 0.444 69 E N 0.682 120.922 120.200 0.067 0.000 2.028 69 E HA -0.069 4.281 4.350 0.001 0.000 0.191 69 E C 2.118 178.794 176.600 0.127 0.000 0.988 69 E CA 0.846 57.292 56.400 0.077 0.000 0.799 69 E CB -0.161 29.572 29.700 0.054 0.000 0.755 69 E HN 0.428 nan 8.360 nan 0.000 0.447 70 L N -0.161 121.148 121.223 0.144 0.000 2.240 70 L HA -0.094 4.246 4.340 0.001 0.000 0.211 70 L C 2.307 179.411 176.870 0.390 0.000 1.106 70 L CA 0.497 55.464 54.840 0.210 0.000 0.793 70 L CB -0.257 41.892 42.059 0.150 0.000 0.927 70 L HN 0.252 nan 8.230 nan 0.000 0.446 71 Y N 0.521 120.928 120.300 0.179 0.000 2.561 71 Y HA -0.055 4.496 4.550 0.001 0.000 0.291 71 Y C 0.990 176.901 175.900 0.018 0.000 1.141 71 Y CA -0.062 58.145 58.100 0.179 0.000 1.303 71 Y CB -0.213 38.284 38.460 0.061 0.000 1.015 71 Y HN 0.074 nan 8.280 nan 0.000 0.547 72 D N 1.236 121.697 120.400 0.101 0.000 2.545 72 D HA 0.060 4.700 4.640 0.001 0.000 0.227 72 D C -1.183 175.153 176.300 0.060 0.000 1.150 72 D CA 0.189 54.169 54.000 -0.033 0.000 1.046 72 D CB -1.195 39.619 40.800 0.022 0.000 1.098 72 D HN 0.333 nan 8.370 nan 0.000 0.502 73 Y N -0.233 120.028 120.300 -0.065 0.000 2.553 73 Y HA 0.704 5.255 4.550 0.001 0.000 0.347 73 Y C -2.888 172.975 175.900 -0.061 0.000 1.019 73 Y CA -3.187 54.898 58.100 -0.024 0.000 1.032 73 Y CB 0.634 39.108 38.460 0.024 0.000 1.284 73 Y HN -0.076 nan 8.280 nan 0.000 0.466 74 P HA 0.212 nan 4.420 nan 0.000 0.271 74 P C -1.442 175.904 177.300 0.076 0.000 1.220 74 P CA -0.216 62.915 63.100 0.052 0.000 0.768 74 P CB 0.814 32.677 31.700 0.271 0.000 0.848 75 K N 3.104 123.423 120.400 -0.136 0.000 2.450 75 K HA 0.433 4.753 4.320 0.001 0.000 0.257 75 K C -0.898 175.727 176.600 0.042 0.000 0.953 75 K CA -0.377 55.903 56.287 -0.012 0.000 0.844 75 K CB 1.108 33.512 32.500 -0.160 0.000 1.103 75 K HN 0.368 nan 8.250 nan 0.000 0.429 76 Y N 0.405 120.868 120.300 0.270 0.000 2.446 76 Y HA 0.286 4.837 4.550 0.001 0.000 0.338 76 Y C 0.828 176.902 175.900 0.292 0.000 1.055 76 Y CA -0.651 57.641 58.100 0.321 0.000 1.101 76 Y CB 1.983 40.569 38.460 0.209 0.000 1.221 76 Y HN 0.592 nan 8.280 nan 0.000 0.460 77 S N 0.465 116.486 115.700 0.535 0.000 2.669 77 S HA 0.372 4.843 4.470 0.001 0.000 0.270 77 S C -0.166 174.680 174.600 0.409 0.000 1.225 77 S CA -0.923 57.554 58.200 0.462 0.000 0.991 77 S CB 0.598 64.151 63.200 0.587 0.000 0.987 77 S HN 0.713 nan 8.310 nan 0.000 0.552 78 C N 2.160 121.657 119.300 0.328 0.000 2.634 78 C HA 0.205 4.666 4.460 0.001 0.000 0.417 78 C C 0.924 175.997 174.990 0.139 0.000 1.334 78 C CA 0.031 59.165 59.018 0.194 0.000 1.829 78 C CB -1.583 26.285 27.740 0.212 0.000 2.665 78 C HN 0.862 nan 8.230 nan 0.000 0.614 79 H N 1.497 120.228 119.070 -0.565 0.000 2.871 79 H HA 0.429 4.986 4.556 0.001 0.000 0.355 79 H C -0.137 174.991 175.328 -0.334 0.000 1.092 79 H CA 0.853 56.510 56.048 -0.653 0.000 1.420 79 H CB 0.194 29.116 29.762 -1.401 0.000 1.400 79 H HN 0.560 nan 8.280 nan 0.000 0.604 80 F N -0.914 119.008 119.950 -0.048 0.000 2.596 80 F HA 0.459 4.987 4.527 0.001 0.000 0.311 80 F C -0.799 175.015 175.800 0.023 0.000 1.116 80 F CA -1.320 56.699 58.000 0.032 0.000 0.957 80 F CB 1.165 40.194 39.000 0.048 0.000 1.250 80 F HN 0.256 nan 8.300 nan 0.000 0.444 81 K N 2.760 123.178 120.400 0.031 0.000 2.172 81 K HA 0.505 4.826 4.320 0.001 0.000 0.276 81 K C -1.099 175.415 176.600 -0.143 0.000 1.013 81 K CA -0.740 55.354 56.287 -0.322 0.000 0.913 81 K CB 0.848 33.021 32.500 -0.546 0.000 1.055 81 K HN 0.632 nan 8.250 nan 0.000 0.461 82 K N 2.620 122.892 120.400 -0.213 0.000 2.578 82 K HA 0.268 4.588 4.320 0.001 0.000 0.250 82 K C 0.134 176.638 176.600 -0.161 0.000 0.955 82 K CA -0.162 55.987 56.287 -0.231 0.000 0.825 82 K CB 1.478 33.568 32.500 -0.684 0.000 1.151 82 K HN 0.947 nan 8.250 nan 0.000 0.432 83 G N 3.773 112.504 108.800 -0.115 0.000 2.622 83 G HA2 -0.411 3.549 3.960 0.001 0.000 0.307 83 G HA3 -0.411 3.549 3.960 0.001 0.000 0.307 83 G C 0.447 175.271 174.900 -0.127 0.000 1.226 83 G CA 0.501 45.548 45.100 -0.088 0.000 0.997 83 G HN 0.606 nan 8.290 nan 0.000 0.551 84 K N 1.152 121.484 120.400 -0.114 0.000 2.444 84 K HA 0.224 4.544 4.320 0.001 0.000 0.193 84 K C 1.128 177.610 176.600 -0.197 0.000 1.024 84 K CA 0.433 56.643 56.287 -0.130 0.000 1.077 84 K CB 0.277 32.728 32.500 -0.082 0.000 0.833 84 K HN 0.395 nan 8.250 nan 0.000 0.517 85 R N -0.192 120.141 120.500 -0.279 0.000 2.854 85 R HA 0.364 4.705 4.340 0.001 0.000 0.271 85 R C -1.147 174.798 176.300 -0.591 0.000 0.994 85 R CA -0.888 54.966 56.100 -0.409 0.000 0.945 85 R CB 1.160 31.138 30.300 -0.537 0.000 1.194 85 R HN -0.087 nan 8.270 nan 0.000 0.476 86 Y N 0.527 120.506 120.300 -0.536 0.000 2.387 86 Y HA 0.460 5.011 4.550 0.001 0.000 0.330 86 Y C -0.289 174.989 175.900 -1.037 0.000 1.133 86 Y CA -0.196 57.582 58.100 -0.537 0.000 1.152 86 Y CB 1.064 39.385 38.460 -0.233 0.000 1.215 86 Y HN 0.337 nan 8.280 nan 0.000 0.466 87 F N 1.534 121.037 119.950 -0.745 0.000 2.588 87 F HA 0.608 5.135 4.527 0.001 0.000 0.314 87 F C -0.963 174.258 175.800 -0.965 0.000 1.069 87 F CA -1.356 56.031 58.000 -1.021 0.000 0.931 87 F CB 1.845 39.974 39.000 -1.452 0.000 1.260 87 F HN 0.407 nan 8.300 nan 0.000 0.465 88 Y N -0.995 118.960 120.300 -0.574 0.000 2.604 88 Y HA 0.697 5.248 4.550 0.001 0.000 0.331 88 Y C -2.047 173.783 175.900 -0.116 0.000 1.158 88 Y CA -2.336 55.579 58.100 -0.308 0.000 1.056 88 Y CB 0.633 38.820 38.460 -0.456 0.000 1.330 88 Y HN 0.386 nan 8.280 nan 0.000 0.457 89 F N 2.561 122.730 119.950 0.365 0.000 2.379 89 F HA 0.569 5.097 4.527 0.001 0.000 0.332 89 F C -0.497 175.579 175.800 0.460 0.000 1.096 89 F CA -0.334 57.862 58.000 0.326 0.000 1.105 89 F CB 1.215 40.374 39.000 0.266 0.000 1.189 89 F HN 0.602 nan 8.300 nan 0.000 0.515 90 Y N 2.840 123.367 120.300 0.379 0.000 2.442 90 Y HA 0.363 4.914 4.550 0.001 0.000 0.330 90 Y C -1.738 174.197 175.900 0.059 0.000 1.100 90 Y CA -1.485 56.665 58.100 0.084 0.000 1.034 90 Y CB 1.320 39.740 38.460 -0.067 0.000 1.285 90 Y HN 0.598 nan 8.280 nan 0.000 0.440 91 N N 2.910 121.270 118.700 -0.566 0.000 2.399 91 N HA 0.181 4.921 4.740 0.001 0.000 0.280 91 N C 0.555 175.470 175.510 -0.991 0.000 1.008 91 N CA 0.318 52.995 53.050 -0.622 0.000 0.894 91 N CB 2.085 40.364 38.487 -0.347 0.000 1.273 91 N HN 0.866 nan 8.380 nan 0.000 0.486 92 T N 0.266 114.271 114.554 -0.915 0.000 2.929 92 T HA 0.097 4.448 4.350 0.001 0.000 0.271 92 T C 1.158 175.645 174.700 -0.354 0.000 1.085 92 T CA 1.508 63.232 62.100 -0.628 0.000 1.125 92 T CB 0.097 68.787 68.868 -0.297 0.000 0.874 92 T HN 0.651 nan 8.240 nan 0.000 0.494 93 G N 0.719 109.293 108.800 -0.377 0.000 4.373 93 G HA2 0.055 4.016 3.960 0.001 0.000 0.195 93 G HA3 0.055 4.016 3.960 0.001 0.000 0.195 93 G C 0.596 175.265 174.900 -0.384 0.000 1.377 93 G CA -0.049 44.829 45.100 -0.370 0.000 0.858 93 G HN 0.423 nan 8.290 nan 0.000 0.307 94 L N 1.787 122.867 121.223 -0.238 0.000 2.959 94 L HA 0.377 4.718 4.340 0.001 0.000 0.259 94 L C 0.703 177.503 176.870 -0.116 0.000 1.185 94 L CA -0.150 54.595 54.840 -0.159 0.000 0.998 94 L CB 0.755 42.769 42.059 -0.074 0.000 1.337 94 L HN 0.226 nan 8.230 nan 0.000 0.555 95 Q N 0.469 120.180 119.800 -0.147 0.000 2.361 95 Q HA 0.000 4.341 4.340 0.001 0.000 0.276 95 Q C 0.567 176.525 176.000 -0.070 0.000 1.022 95 Q CA -0.198 55.544 55.803 -0.101 0.000 0.898 95 Q CB 0.751 29.418 28.738 -0.118 0.000 1.246 95 Q HN 0.172 nan 8.270 nan 0.000 0.410 96 N N 0.860 119.539 118.700 -0.035 0.000 2.149 96 N HA -0.123 4.617 4.740 0.001 0.000 0.188 96 N C -0.160 175.345 175.510 -0.008 0.000 1.019 96 N CA 1.314 54.358 53.050 -0.009 0.000 0.857 96 N CB 0.319 38.806 38.487 0.001 0.000 0.997 96 N HN 0.493 nan 8.380 nan 0.000 0.426 97 Q N 0.338 120.128 119.800 -0.016 0.000 2.372 97 Q HA 0.244 4.584 4.340 0.001 0.000 0.273 97 Q C -0.340 175.656 176.000 -0.006 0.000 1.078 97 Q CA -0.583 55.218 55.803 -0.002 0.000 0.806 97 Q CB 2.701 31.448 28.738 0.016 0.000 1.332 97 Q HN 0.338 nan 8.270 nan 0.000 0.435 98 R N -0.435 120.075 120.500 0.017 0.000 2.694 98 R HA 0.484 4.825 4.340 0.001 0.000 0.268 98 R C -0.505 175.901 176.300 0.176 0.000 1.061 98 R CA -0.377 55.767 56.100 0.075 0.000 1.133 98 R CB 0.242 30.607 30.300 0.108 0.000 1.020 98 R HN 0.201 nan 8.270 nan 0.000 0.475 99 V N 3.225 123.261 119.914 0.203 0.000 2.513 99 V HA 0.222 4.342 4.120 0.001 0.000 0.299 99 V C -0.389 175.749 176.094 0.073 0.000 1.035 99 V CA -1.120 61.232 62.300 0.086 0.000 0.889 99 V CB 1.512 33.300 31.823 -0.058 0.000 0.988 99 V HN 0.597 nan 8.190 nan 0.000 0.440 100 L N 5.646 126.764 121.223 -0.174 0.000 2.281 100 L HA 0.509 4.849 4.340 0.001 0.000 0.285 100 L C -0.938 175.639 176.870 -0.488 0.000 1.074 100 L CA 0.251 54.807 54.840 -0.473 0.000 0.817 100 L CB 0.230 41.989 42.059 -0.499 0.000 1.168 100 L HN 0.522 nan 8.230 nan 0.000 0.434 101 Y N 3.518 123.469 120.300 -0.582 0.000 2.496 101 Y HA 0.692 5.242 4.550 0.001 0.000 0.331 101 Y C -0.107 175.381 175.900 -0.687 0.000 1.140 101 Y CA -0.520 57.199 58.100 -0.636 0.000 1.166 101 Y CB 2.030 39.850 38.460 -1.067 0.000 1.249 101 Y HN 0.401 nan 8.280 nan 0.000 0.479 102 V N 3.157 122.821 119.914 -0.416 0.000 2.876 102 V HA 0.608 4.729 4.120 0.001 0.000 0.312 102 V C -1.547 174.295 176.094 -0.420 0.000 1.085 102 V CA -0.429 61.436 62.300 -0.725 0.000 0.945 102 V CB 1.902 33.204 31.823 -0.869 0.000 1.017 102 V HN 0.906 nan 8.190 nan 0.000 0.428 103 Q N 3.023 122.559 119.800 -0.440 0.000 2.456 103 Q HA 0.519 4.859 4.340 0.001 0.000 0.284 103 Q C -1.082 174.809 176.000 -0.183 0.000 1.061 103 Q CA -0.890 54.794 55.803 -0.200 0.000 0.799 103 Q CB 2.220 30.928 28.738 -0.049 0.000 1.445 103 Q HN 0.568 nan 8.270 nan 0.000 0.411 104 D N 0.707 121.045 120.400 -0.102 0.000 2.347 104 D HA 0.036 4.676 4.640 0.001 0.000 0.213 104 D C 0.185 176.504 176.300 0.032 0.000 0.985 104 D CA 1.149 55.109 54.000 -0.068 0.000 0.879 104 D CB 0.594 41.357 40.800 -0.063 0.000 0.919 104 D HN 0.607 nan 8.370 nan 0.000 0.526 105 S N -1.170 114.570 115.700 0.066 0.000 2.615 105 S HA 0.206 4.676 4.470 0.001 0.000 0.269 105 S C 0.336 174.899 174.600 -0.061 0.000 1.161 105 S CA -0.716 57.546 58.200 0.103 0.000 0.817 105 S CB 1.250 64.472 63.200 0.037 0.000 1.131 105 S HN -0.172 nan 8.310 nan 0.000 0.467 106 L N 1.253 122.325 121.223 -0.252 0.000 2.131 106 L HA 0.120 4.461 4.340 0.001 0.000 0.210 106 L C 2.227 178.986 176.870 -0.184 0.000 1.092 106 L CA 1.934 56.554 54.840 -0.366 0.000 0.759 106 L CB -1.202 40.608 42.059 -0.415 0.000 0.903 106 L HN 0.891 nan 8.230 nan 0.000 0.435 107 E N -1.382 118.745 120.200 -0.121 0.000 2.474 107 E HA 0.116 4.467 4.350 0.001 0.000 0.194 107 E C 1.057 177.610 176.600 -0.078 0.000 1.041 107 E CA 0.201 56.541 56.400 -0.100 0.000 0.874 107 E CB 0.035 29.689 29.700 -0.076 0.000 0.914 107 E HN 0.447 nan 8.360 nan 0.000 0.498 108 G N 1.334 110.097 108.800 -0.061 0.000 2.539 108 G HA2 0.027 3.987 3.960 0.001 0.000 0.258 108 G HA3 0.027 3.987 3.960 0.001 0.000 0.258 108 G C -0.517 174.360 174.900 -0.039 0.000 1.202 108 G CA -0.517 44.557 45.100 -0.044 0.000 0.851 108 G HN 0.053 nan 8.290 nan 0.000 0.556 109 E N 0.029 120.210 120.200 -0.032 0.000 2.415 109 E HA 0.377 4.728 4.350 0.001 0.000 0.263 109 E C 0.441 177.038 176.600 -0.005 0.000 0.995 109 E CA -0.396 55.992 56.400 -0.020 0.000 0.915 109 E CB 0.506 30.196 29.700 -0.017 0.000 0.951 109 E HN 0.524 nan 8.360 nan 0.000 0.449 110 A N 5.240 128.075 122.820 0.026 0.000 2.304 110 A HA 0.481 4.801 4.320 0.001 0.000 0.301 110 A C -0.282 177.362 177.584 0.100 0.000 1.132 110 A CA -0.578 51.499 52.037 0.066 0.000 0.819 110 A CB 0.626 19.712 19.000 0.143 0.000 1.094 110 A HN 0.781 nan 8.150 nan 0.000 0.492 111 R N 0.820 121.369 120.500 0.083 0.000 2.837 111 R HA 0.651 4.991 4.340 0.001 0.000 0.271 111 R C -1.553 174.737 176.300 -0.017 0.000 0.993 111 R CA -0.767 55.378 56.100 0.074 0.000 0.931 111 R CB 0.936 31.238 30.300 0.004 0.000 1.206 111 R HN 0.304 nan 8.270 nan 0.000 0.474 112 V N 2.847 122.667 119.914 -0.157 0.000 2.540 112 V HA -0.023 4.098 4.120 0.001 0.000 0.297 112 V C 0.475 176.430 176.094 -0.231 0.000 1.024 112 V CA 0.480 62.512 62.300 -0.446 0.000 1.105 112 V CB 0.107 31.710 31.823 -0.366 0.000 0.938 112 V HN 0.742 nan 8.190 nan 0.000 0.482 113 F N 5.524 125.210 119.950 -0.439 0.000 2.490 113 F HA 0.473 5.000 4.527 0.001 0.000 0.280 113 F C 0.296 175.901 175.800 -0.325 0.000 1.030 113 F CA 0.304 58.111 58.000 -0.323 0.000 1.367 113 F CB 0.605 39.436 39.000 -0.281 0.000 1.131 113 F HN 0.353 nan 8.300 nan 0.000 0.632 114 L N 1.233 122.205 121.223 -0.417 0.000 2.482 114 L HA 0.379 4.720 4.340 0.001 0.000 0.269 114 L C -1.853 174.850 176.870 -0.277 0.000 0.967 114 L CA -0.388 54.191 54.840 -0.436 0.000 0.851 114 L CB 1.322 43.098 42.059 -0.472 0.000 1.242 114 L HN 0.001 nan 8.230 nan 0.000 0.404 115 D N 6.209 126.470 120.400 -0.233 0.000 2.472 115 D HA 0.469 5.110 4.640 0.001 0.000 0.234 115 D C -2.045 174.200 176.300 -0.091 0.000 1.088 115 D CA -2.058 51.848 54.000 -0.156 0.000 0.882 115 D CB 2.017 42.721 40.800 -0.160 0.000 1.037 115 D HN 0.308 nan 8.370 nan 0.000 0.520 116 P HA -0.024 nan 4.420 nan 0.000 0.225 116 P C 1.038 178.333 177.300 -0.008 0.000 1.148 116 P CA 0.454 63.550 63.100 -0.006 0.000 0.779 116 P CB 0.342 32.062 31.700 0.035 0.000 0.780 117 N N 0.303 118.991 118.700 -0.021 0.000 2.289 117 N HA -0.107 4.633 4.740 0.001 0.000 0.184 117 N C 1.605 177.103 175.510 -0.019 0.000 1.016 117 N CA 1.139 54.178 53.050 -0.019 0.000 0.872 117 N CB -0.409 38.061 38.487 -0.027 0.000 0.973 117 N HN 0.347 nan 8.380 nan 0.000 0.433 118 I N -1.907 118.646 120.570 -0.028 0.000 3.564 118 I HA 0.044 4.215 4.170 0.001 0.000 0.294 118 I C 1.218 177.327 176.117 -0.014 0.000 1.289 118 I CA 0.454 61.740 61.300 -0.024 0.000 1.325 118 I CB -0.247 37.732 38.000 -0.036 0.000 1.039 118 I HN -0.076 nan 8.210 nan 0.000 0.474 119 L N 1.207 122.427 121.223 -0.006 0.000 2.558 119 L HA 0.220 4.560 4.340 0.001 0.000 0.225 119 L C 0.627 177.500 176.870 0.005 0.000 1.128 119 L CA 0.124 54.968 54.840 0.006 0.000 0.868 119 L CB -0.329 41.744 42.059 0.023 0.000 1.006 119 L HN 0.557 nan 8.230 nan 0.000 0.454 120 S N -3.781 111.920 115.700 0.001 0.000 2.552 120 S HA 0.250 4.721 4.470 0.001 0.000 0.272 120 S C -0.249 174.350 174.600 -0.002 0.000 1.150 120 S CA -0.827 57.373 58.200 -0.001 0.000 0.849 120 S CB 1.656 64.855 63.200 -0.001 0.000 1.113 120 S HN -0.120 nan 8.310 nan 0.000 0.458 121 D N 1.009 121.408 120.400 -0.002 0.000 2.183 121 D HA 0.018 4.659 4.640 0.001 0.000 0.203 121 D C 0.954 177.254 176.300 0.001 0.000 0.969 121 D CA 1.827 55.827 54.000 -0.001 0.000 0.842 121 D CB -0.047 40.753 40.800 0.001 0.000 0.957 121 D HN 0.789 nan 8.370 nan 0.000 0.484 122 D N -1.933 118.468 120.400 0.001 0.000 2.431 122 D HA 0.200 4.840 4.640 0.001 0.000 0.213 122 D C 1.285 177.588 176.300 0.005 0.000 1.130 122 D CA 0.289 54.291 54.000 0.004 0.000 0.834 122 D CB -0.065 40.738 40.800 0.005 0.000 0.985 122 D HN 0.093 nan 8.370 nan 0.000 0.504 123 G N 0.842 109.644 108.800 0.003 0.000 2.160 123 G HA2 -0.319 3.641 3.960 0.001 0.000 0.251 123 G HA3 -0.319 3.641 3.960 0.001 0.000 0.251 123 G C 0.894 175.798 174.900 0.007 0.000 1.008 123 G CA 0.867 45.970 45.100 0.005 0.000 0.724 123 G HN 0.644 nan 8.290 nan 0.000 0.514 124 T N -2.792 111.761 114.554 -0.001 0.000 3.122 124 T HA 0.536 4.886 4.350 0.001 0.000 0.250 124 T C 0.537 175.233 174.700 -0.007 0.000 1.067 124 T CA 0.369 62.463 62.100 -0.010 0.000 0.966 124 T CB 0.952 69.799 68.868 -0.034 0.000 1.002 124 T HN 0.589 nan 8.240 nan 0.000 0.542 125 V N 1.907 121.825 119.914 0.007 0.000 2.370 125 V HA 0.807 4.928 4.120 0.001 0.000 0.283 125 V C 0.135 176.251 176.094 0.038 0.000 1.023 125 V CA -0.854 61.460 62.300 0.023 0.000 0.857 125 V CB 0.782 32.620 31.823 0.026 0.000 0.985 125 V HN 0.668 nan 8.190 nan 0.000 0.443 126 A N 4.482 127.333 122.820 0.052 0.000 2.454 126 A HA 0.845 5.165 4.320 0.001 0.000 0.302 126 A C -0.953 176.688 177.584 0.096 0.000 1.079 126 A CA -0.784 51.292 52.037 0.064 0.000 0.731 126 A CB 1.498 20.529 19.000 0.051 0.000 1.299 126 A HN 0.814 nan 8.150 nan 0.000 0.413 127 L N 1.165 122.459 121.223 0.119 0.000 2.455 127 L HA 0.428 4.768 4.340 0.001 0.000 0.272 127 L C 0.594 177.548 176.870 0.139 0.000 1.174 127 L CA 0.909 55.853 54.840 0.174 0.000 0.869 127 L CB 0.161 42.351 42.059 0.219 0.000 1.130 127 L HN 0.688 nan 8.230 nan 0.000 0.474 128 R N 4.390 124.976 120.500 0.143 0.000 2.680 128 R HA 0.542 4.883 4.340 0.001 0.000 0.278 128 R C -0.656 175.705 176.300 0.102 0.000 1.582 128 R CA 0.161 56.324 56.100 0.105 0.000 1.177 128 R CB 0.438 30.781 30.300 0.071 0.000 1.232 128 R HN 1.051 nan 8.270 nan 0.000 0.528 129 G N 2.966 111.840 108.800 0.124 0.000 2.721 129 G HA2 -0.200 3.760 3.960 0.001 0.000 0.686 129 G HA3 -0.200 3.760 3.960 0.001 0.000 0.686 129 G C -1.451 173.539 174.900 0.150 0.000 1.236 129 G CA -0.229 44.906 45.100 0.060 0.000 0.786 129 G HN 0.736 nan 8.290 nan 0.000 0.616 130 Y N -2.187 118.147 120.300 0.056 0.000 2.656 130 Y HA 0.913 5.463 4.550 0.001 0.000 0.334 130 Y C -0.266 175.658 175.900 0.041 0.000 1.179 130 Y CA -1.128 56.948 58.100 -0.041 0.000 1.050 130 Y CB 0.966 39.446 38.460 0.034 0.000 1.308 130 Y HN 2.245 nan 8.280 nan 0.000 0.456 131 A N 1.712 124.629 122.820 0.161 0.000 2.491 131 A HA 0.686 5.006 4.320 0.001 0.000 0.293 131 A C -2.129 175.711 177.584 0.425 0.000 1.047 131 A CA -0.631 51.622 52.037 0.359 0.000 0.735 131 A CB 0.481 19.718 19.000 0.394 0.000 1.281 131 A HN 0.595 nan 8.150 nan 0.000 0.398 132 F N 2.009 122.216 119.950 0.428 0.000 2.375 132 F HA 0.457 4.984 4.527 0.001 0.000 0.333 132 F C 1.615 177.283 175.800 -0.221 0.000 1.104 132 F CA 0.577 58.689 58.000 0.188 0.000 1.149 132 F CB 1.507 40.578 39.000 0.119 0.000 1.190 132 F HN 0.688 nan 8.300 nan 0.000 0.533 133 S N 0.876 116.170 115.700 -0.677 0.000 2.569 133 S HA -0.039 4.432 4.470 0.001 0.000 0.274 133 S C 1.174 175.657 174.600 -0.195 0.000 1.353 133 S CA -0.398 57.275 58.200 -0.878 0.000 1.023 133 S CB 0.816 63.441 63.200 -0.958 0.000 0.876 133 S HN 0.736 nan 8.310 nan 0.000 0.540 134 E N 1.240 121.362 120.200 -0.130 0.000 2.118 134 E HA -0.208 4.143 4.350 0.001 0.000 0.195 134 E C 1.221 177.765 176.600 -0.093 0.000 0.992 134 E CA 1.977 58.277 56.400 -0.166 0.000 0.804 134 E CB -0.420 29.022 29.700 -0.430 0.000 0.741 134 E HN 0.881 nan 8.360 nan 0.000 0.458 135 D N -1.512 118.855 120.400 -0.055 0.000 2.340 135 D HA 0.082 4.722 4.640 0.001 0.000 0.220 135 D C 1.330 177.624 176.300 -0.009 0.000 1.039 135 D CA 0.776 54.766 54.000 -0.017 0.000 0.866 135 D CB -0.229 40.582 40.800 0.019 0.000 0.913 135 D HN 0.302 nan 8.370 nan 0.000 0.523 136 G N 0.453 109.253 108.800 0.000 0.000 2.184 136 G HA2 -0.324 3.636 3.960 0.001 0.000 0.264 136 G HA3 -0.324 3.636 3.960 0.001 0.000 0.264 136 G C 0.915 175.871 174.900 0.094 0.000 0.975 136 G CA 0.414 45.539 45.100 0.041 0.000 0.642 136 G HN 0.392 nan 8.290 nan 0.000 0.536 137 E N -1.154 119.076 120.200 0.050 0.000 2.447 137 E HA 0.226 4.577 4.350 0.001 0.000 0.195 137 E C 0.193 176.649 176.600 -0.240 0.000 1.028 137 E CA 0.468 56.841 56.400 -0.045 0.000 0.876 137 E CB 0.327 30.016 29.700 -0.018 0.000 0.885 137 E HN 0.641 nan 8.360 nan 0.000 0.500 138 Y N -0.758 119.544 120.300 0.003 0.000 2.576 138 Y HA 0.455 5.005 4.550 0.001 0.000 0.346 138 Y C -0.906 175.045 175.900 0.086 0.000 1.018 138 Y CA -1.297 56.826 58.100 0.038 0.000 1.050 138 Y CB 1.805 40.186 38.460 -0.133 0.000 1.280 138 Y HN -0.203 nan 8.280 nan 0.000 0.474 139 F N 1.723 121.836 119.950 0.272 0.000 2.607 139 F HA 0.813 5.340 4.527 0.001 0.000 0.322 139 F C -1.309 174.664 175.800 0.289 0.000 1.176 139 F CA -0.872 57.159 58.000 0.052 0.000 0.977 139 F CB 0.956 39.870 39.000 -0.143 0.000 1.242 139 F HN 0.520 nan 8.300 nan 0.000 0.465 140 A N 5.513 128.178 122.820 -0.258 0.000 2.324 140 A HA 0.796 5.116 4.320 0.001 0.000 0.330 140 A C -1.997 175.097 177.584 -0.817 0.000 1.165 140 A CA -0.463 51.145 52.037 -0.716 0.000 0.813 140 A CB 0.649 19.224 19.000 -0.709 0.000 1.197 140 A HN 0.986 nan 8.150 nan 0.000 0.484 141 Y N -0.548 119.257 120.300 -0.826 0.000 2.513 141 Y HA 0.722 5.272 4.550 0.001 0.000 0.340 141 Y C 0.050 175.780 175.900 -0.283 0.000 1.055 141 Y CA -1.093 56.701 58.100 -0.510 0.000 1.020 141 Y CB 0.818 39.000 38.460 -0.464 0.000 1.301 141 Y HN 0.826 nan 8.280 nan 0.000 0.453 142 G N 3.325 112.087 108.800 -0.063 0.000 2.377 142 G HA2 0.604 4.564 3.960 0.001 0.000 0.299 142 G HA3 0.604 4.564 3.960 0.001 0.000 0.299 142 G C -1.449 173.479 174.900 0.047 0.000 1.150 142 G CA -0.974 44.081 45.100 -0.075 0.000 0.847 142 G HN 0.739 nan 8.290 nan 0.000 0.501 143 L N 1.343 122.567 121.223 0.001 0.000 2.341 143 L HA 0.492 4.832 4.340 0.001 0.000 0.278 143 L C 0.008 176.907 176.870 0.050 0.000 1.005 143 L CA -0.670 54.210 54.840 0.065 0.000 0.818 143 L CB 2.297 44.394 42.059 0.063 0.000 1.259 143 L HN 0.401 nan 8.230 nan 0.000 0.418 144 S N 1.624 117.362 115.700 0.065 0.000 2.482 144 S HA 0.755 5.226 4.470 0.001 0.000 0.303 144 S C -0.280 174.350 174.600 0.050 0.000 1.091 144 S CA -0.593 57.647 58.200 0.067 0.000 1.057 144 S CB 1.917 65.157 63.200 0.067 0.000 1.031 144 S HN 0.660 nan 8.310 nan 0.000 0.485 145 A N 1.711 124.559 122.820 0.047 0.000 2.305 145 A HA 0.727 5.048 4.320 0.001 0.000 0.322 145 A C 0.715 178.273 177.584 -0.043 0.000 1.187 145 A CA -0.534 51.505 52.037 0.004 0.000 0.825 145 A CB 0.192 19.193 19.000 0.000 0.000 1.164 145 A HN 1.153 nan 8.150 nan 0.000 0.498 146 S N 0.581 116.217 115.700 -0.106 0.000 3.476 146 S HA -0.172 4.299 4.470 0.001 0.000 0.309 146 S C 1.375 175.904 174.600 -0.118 0.000 1.222 146 S CA 1.844 59.901 58.200 -0.240 0.000 0.922 146 S CB -1.563 61.218 63.200 -0.698 0.000 1.023 146 S HN 2.818 nan 8.310 nan 0.000 0.591 147 G N 0.001 108.795 108.800 -0.009 0.000 2.159 147 G HA2 -0.307 3.653 3.960 0.001 0.000 0.256 147 G HA3 -0.307 3.653 3.960 0.001 0.000 0.256 147 G C 0.135 175.095 174.900 0.100 0.000 0.977 147 G CA 0.836 45.968 45.100 0.054 0.000 0.652 147 G HN 1.517 nan 8.290 nan 0.000 0.531 148 S N -0.245 115.527 115.700 0.120 0.000 2.579 148 S HA 0.347 4.817 4.470 0.001 0.000 0.275 148 S C 1.399 176.035 174.600 0.060 0.000 1.345 148 S CA 0.475 58.762 58.200 0.146 0.000 1.031 148 S CB 0.587 63.941 63.200 0.256 0.000 0.892 148 S HN 0.196 nan 8.310 nan 0.000 0.529 149 D N 2.164 122.530 120.400 -0.057 0.000 2.264 149 D HA -0.021 4.620 4.640 0.001 0.000 0.208 149 D C -0.014 176.119 176.300 -0.278 0.000 0.966 149 D CA 0.459 54.323 54.000 -0.226 0.000 0.864 149 D CB -0.027 40.503 40.800 -0.450 0.000 0.933 149 D HN 0.604 nan 8.370 nan 0.000 0.499 150 W N 0.665 121.900 121.300 -0.110 0.000 2.193 150 W HA 0.162 4.823 4.660 0.001 0.000 0.338 150 W C 0.276 176.760 176.519 -0.058 0.000 1.310 150 W CA -0.382 56.910 57.345 -0.088 0.000 1.243 150 W CB 0.680 30.115 29.460 -0.041 0.000 1.165 150 W HN -0.375 nan 8.180 nan 0.000 0.566 151 V N 2.781 122.849 119.914 0.256 0.000 2.735 151 V HA 0.431 4.552 4.120 0.001 0.000 0.310 151 V C -0.160 175.980 176.094 0.076 0.000 1.061 151 V CA -0.930 61.438 62.300 0.114 0.000 0.913 151 V CB 2.214 34.073 31.823 0.060 0.000 1.005 151 V HN 0.420 nan 8.190 nan 0.000 0.428 152 T N 5.357 119.907 114.554 -0.006 0.000 2.771 152 T HA 0.617 4.967 4.350 0.001 0.000 0.281 152 T C -0.251 174.336 174.700 -0.189 0.000 0.982 152 T CA -0.114 61.934 62.100 -0.087 0.000 0.978 152 T CB 0.752 69.567 68.868 -0.087 0.000 0.930 152 T HN 0.372 nan 8.240 nan 0.000 0.447 153 I N 3.721 124.135 120.570 -0.260 0.000 2.331 153 I HA 0.394 4.565 4.170 0.001 0.000 0.292 153 I C 0.522 176.345 176.117 -0.491 0.000 0.998 153 I CA -0.546 60.494 61.300 -0.434 0.000 1.267 153 I CB 0.949 38.670 38.000 -0.465 0.000 1.386 153 I HN 0.357 nan 8.210 nan 0.000 0.476 154 K N 5.125 125.039 120.400 -0.810 0.000 2.306 154 K HA 0.725 5.045 4.320 0.001 0.000 0.236 154 K C -1.413 174.734 176.600 -0.755 0.000 1.013 154 K CA -0.737 55.155 56.287 -0.659 0.000 0.857 154 K CB 2.158 34.210 32.500 -0.747 0.000 1.214 154 K HN 0.219 nan 8.250 nan 0.000 0.449 155 F N 0.682 120.537 119.950 -0.158 0.000 2.588 155 F HA 0.523 5.051 4.527 0.001 0.000 0.310 155 F C -0.373 175.611 175.800 0.306 0.000 1.082 155 F CA -0.741 57.338 58.000 0.131 0.000 0.929 155 F CB 1.879 40.969 39.000 0.150 0.000 1.254 155 F HN 0.174 nan 8.300 nan 0.000 0.455 156 M N 1.805 121.760 119.600 0.593 0.000 2.501 156 M HA 0.365 4.845 4.480 0.001 0.000 0.293 156 M C -0.912 175.637 176.300 0.415 0.000 1.192 156 M CA -0.852 54.710 55.300 0.437 0.000 0.886 156 M CB 2.882 35.679 32.600 0.328 0.000 1.710 156 M HN 0.465 nan 8.290 nan 0.000 0.457 157 K N 1.242 121.772 120.400 0.217 0.000 2.297 157 K HA 0.331 4.652 4.320 0.001 0.000 0.286 157 K C 0.266 176.873 176.600 0.012 0.000 1.053 157 K CA -0.292 55.921 56.287 -0.123 0.000 0.940 157 K CB 1.192 33.599 32.500 -0.155 0.000 1.019 157 K HN 0.606 nan 8.250 nan 0.000 0.475 158 V N 2.551 122.457 119.914 -0.012 0.000 2.307 158 V HA -0.190 3.931 4.120 0.001 0.000 0.245 158 V C 0.675 176.868 176.094 0.166 0.000 1.045 158 V CA 1.515 63.955 62.300 0.233 0.000 1.024 158 V CB -0.505 31.402 31.823 0.141 0.000 0.651 158 V HN 0.887 nan 8.190 nan 0.000 0.449 159 D N 0.062 120.471 120.400 0.014 0.000 2.363 159 D HA 0.344 4.984 4.640 0.001 0.000 0.263 159 D C 1.110 177.426 176.300 0.027 0.000 1.258 159 D CA 1.133 55.139 54.000 0.009 0.000 0.907 159 D CB 0.244 41.028 40.800 -0.027 0.000 1.107 159 D HN 0.423 nan 8.370 nan 0.000 0.495 160 G N 3.180 112.005 108.800 0.043 0.000 2.179 160 G HA2 -0.152 3.808 3.960 0.001 0.000 0.260 160 G HA3 -0.152 3.808 3.960 0.001 0.000 0.260 160 G C 0.773 175.691 174.900 0.030 0.000 0.977 160 G CA 0.451 45.569 45.100 0.030 0.000 0.641 160 G HN 1.732 nan 8.290 nan 0.000 0.533 161 A N -1.285 121.582 122.820 0.079 0.000 2.560 161 A HA -0.061 4.260 4.320 0.001 0.000 0.299 161 A C 0.688 178.237 177.584 -0.057 0.000 1.484 161 A CA 2.069 54.086 52.037 -0.033 0.000 0.749 161 A CB -1.080 17.812 19.000 -0.179 0.000 1.072 161 A HN 0.946 nan 8.150 nan 0.000 0.426 162 K N 1.548 121.957 120.400 0.016 0.000 2.248 162 K HA 0.332 4.652 4.320 0.001 0.000 0.281 162 K C 0.318 176.966 176.600 0.080 0.000 1.054 162 K CA -0.284 56.026 56.287 0.039 0.000 0.903 162 K CB 0.769 33.303 32.500 0.057 0.000 1.077 162 K HN 0.574 nan 8.250 nan 0.000 0.474 163 E N 3.165 123.408 120.200 0.071 0.000 2.360 163 E HA 0.137 4.488 4.350 0.001 0.000 0.269 163 E C 0.303 176.985 176.600 0.136 0.000 1.022 163 E CA -0.132 56.339 56.400 0.118 0.000 0.887 163 E CB 0.840 30.592 29.700 0.086 0.000 0.990 163 E HN 0.349 nan 8.360 nan 0.000 0.426 164 L N 3.445 124.781 121.223 0.188 0.000 2.358 164 L HA 0.305 4.645 4.340 0.001 0.000 0.268 164 L C -1.344 175.594 176.870 0.114 0.000 1.032 164 L CA -1.891 53.050 54.840 0.167 0.000 0.805 164 L CB 0.685 42.887 42.059 0.239 0.000 1.253 164 L HN 0.280 nan 8.230 nan 0.000 0.452 165 P HA 0.019 nan 4.420 nan 0.000 0.231 165 P C -0.661 176.641 177.300 0.003 0.000 1.168 165 P CA 0.319 63.436 63.100 0.028 0.000 0.779 165 P CB 0.031 31.737 31.700 0.010 0.000 0.844 166 D N -0.160 120.233 120.400 -0.012 0.000 2.450 166 D HA 0.204 4.844 4.640 0.001 0.000 0.247 166 D C -0.291 175.988 176.300 -0.036 0.000 1.162 166 D CA 0.528 54.463 54.000 -0.109 0.000 0.879 166 D CB 0.470 41.034 40.800 -0.394 0.000 1.163 166 D HN -0.149 nan 8.370 nan 0.000 0.472 167 V N 3.559 123.389 119.914 -0.139 0.000 2.623 167 V HA 0.345 4.466 4.120 0.001 0.000 0.304 167 V C -0.465 175.484 176.094 -0.243 0.000 1.054 167 V CA -0.824 61.393 62.300 -0.139 0.000 0.882 167 V CB 1.621 33.380 31.823 -0.106 0.000 1.002 167 V HN 0.380 nan 8.190 nan 0.000 0.424 168 L N 4.528 125.585 121.223 -0.277 0.000 2.333 168 L HA 0.687 5.027 4.340 0.001 0.000 0.280 168 L C -0.108 176.638 176.870 -0.207 0.000 1.004 168 L CA -0.488 54.142 54.840 -0.349 0.000 0.820 168 L CB 1.790 43.462 42.059 -0.646 0.000 1.247 168 L HN 0.539 nan 8.230 nan 0.000 0.416 169 E N 2.681 122.801 120.200 -0.134 0.000 2.281 169 E HA 0.480 4.830 4.350 0.001 0.000 0.257 169 E C -0.104 176.507 176.600 0.019 0.000 0.971 169 E CA -0.815 55.543 56.400 -0.070 0.000 0.839 169 E CB 1.442 31.083 29.700 -0.099 0.000 1.238 169 E HN 0.388 nan 8.360 nan 0.000 0.412 170 R N -1.299 119.217 120.500 0.027 0.000 3.776 170 R HA -0.126 4.215 4.340 0.001 0.000 0.312 170 R C -0.445 176.144 176.300 0.483 0.000 1.181 170 R CA 0.215 56.417 56.100 0.170 0.000 0.836 170 R CB -2.382 27.994 30.300 0.127 0.000 1.324 170 R HN 0.189 nan 8.270 nan 0.000 0.501 171 V N 1.411 121.572 119.914 0.412 0.000 2.461 171 V HA 0.402 4.522 4.120 0.001 0.000 0.275 171 V C 0.539 176.857 176.094 0.373 0.000 1.047 171 V CA 0.084 62.613 62.300 0.382 0.000 0.955 171 V CB 1.710 33.667 31.823 0.224 0.000 0.988 171 V HN 0.144 nan 8.190 nan 0.000 0.471 172 K N 3.961 124.515 120.400 0.257 0.000 2.557 172 K HA 0.423 4.743 4.320 0.001 0.000 0.261 172 K C -1.068 175.523 176.600 -0.015 0.000 0.932 172 K CA -0.777 55.417 56.287 -0.155 0.000 0.829 172 K CB 1.300 33.386 32.500 -0.691 0.000 1.358 172 K HN 0.333 nan 8.250 nan 0.000 0.430 173 F N -0.278 119.744 119.950 0.119 0.000 2.943 173 F HA -0.219 4.308 4.527 0.001 0.000 0.258 173 F C 0.122 175.990 175.800 0.114 0.000 0.995 173 F CA 0.780 58.844 58.000 0.107 0.000 0.896 173 F CB -1.929 37.144 39.000 0.121 0.000 0.821 173 F HN 0.318 nan 8.300 nan 0.000 0.828 174 S N -0.116 115.716 115.700 0.220 0.000 2.509 174 S HA 0.710 5.181 4.470 0.001 0.000 0.297 174 S C 0.387 175.088 174.600 0.168 0.000 1.118 174 S CA -0.395 57.923 58.200 0.196 0.000 1.074 174 S CB 0.978 64.305 63.200 0.213 0.000 1.038 174 S HN 0.663 nan 8.310 nan 0.000 0.498 175 C N 4.301 123.703 119.300 0.170 0.000 2.649 175 C HA 0.710 5.171 4.460 0.001 0.000 0.377 175 C C -0.027 175.081 174.990 0.197 0.000 1.321 175 C CA -0.747 58.371 59.018 0.167 0.000 2.368 175 C CB -0.902 26.937 27.740 0.165 0.000 2.597 175 C HN 0.827 nan 8.230 nan 0.000 0.678 176 M N 2.605 122.315 119.600 0.183 0.000 2.122 176 M HA 0.534 5.014 4.480 0.001 0.000 0.269 176 M C -0.607 175.843 176.300 0.249 0.000 0.954 176 M CA -0.034 55.374 55.300 0.180 0.000 0.998 176 M CB 1.806 34.457 32.600 0.085 0.000 1.755 176 M HN 1.006 nan 8.290 nan 0.000 0.459 177 A N 2.947 125.961 122.820 0.323 0.000 2.446 177 A HA 0.706 5.026 4.320 0.001 0.000 0.282 177 A C -2.008 175.887 177.584 0.518 0.000 1.102 177 A CA -0.470 51.837 52.037 0.450 0.000 0.737 177 A CB 0.751 20.022 19.000 0.451 0.000 1.212 177 A HN 0.856 nan 8.150 nan 0.000 0.434 178 W N 2.295 123.832 121.300 0.395 0.000 2.238 178 W HA 0.440 5.100 4.660 0.001 0.000 0.321 178 W C 1.189 177.980 176.519 0.453 0.000 1.293 178 W CA 0.552 58.119 57.345 0.371 0.000 1.204 178 W CB 1.123 30.764 29.460 0.302 0.000 1.167 178 W HN 0.757 nan 8.180 nan 0.000 0.553 179 T N -1.032 113.909 114.554 0.645 0.000 2.926 179 T HA 0.006 4.356 4.350 0.001 0.000 0.307 179 T C 0.756 175.801 174.700 0.574 0.000 1.059 179 T CA -0.127 62.303 62.100 0.550 0.000 1.122 179 T CB 0.575 69.672 68.868 0.382 0.000 0.972 179 T HN 0.592 nan 8.240 nan 0.000 0.545 180 H N 0.642 119.881 119.070 0.282 0.000 2.559 180 H HA -0.035 4.521 4.556 0.001 0.000 0.273 180 H C 1.416 176.851 175.328 0.177 0.000 1.000 180 H CA 0.690 56.870 56.048 0.221 0.000 1.195 180 H CB 0.257 30.127 29.762 0.180 0.000 1.368 180 H HN 0.787 nan 8.280 nan 0.000 0.592 181 D N -0.219 120.356 120.400 0.292 0.000 2.363 181 D HA -0.025 4.616 4.640 0.001 0.000 0.226 181 D C 1.754 178.169 176.300 0.192 0.000 1.020 181 D CA 0.765 54.885 54.000 0.200 0.000 0.892 181 D CB -0.336 40.558 40.800 0.156 0.000 0.900 181 D HN 0.360 nan 8.370 nan 0.000 0.531 182 G N 0.978 109.932 108.800 0.256 0.000 2.168 182 G HA2 -0.442 3.519 3.960 0.001 0.000 0.263 182 G HA3 -0.442 3.519 3.960 0.001 0.000 0.263 182 G C 0.953 176.000 174.900 0.245 0.000 0.977 182 G CA 0.679 45.922 45.100 0.238 0.000 0.659 182 G HN 0.545 nan 8.290 nan 0.000 0.533 183 K N 0.030 120.570 120.400 0.234 0.000 2.167 183 K HA 0.361 4.681 4.320 0.001 0.000 0.203 183 K C 1.396 178.003 176.600 0.011 0.000 1.052 183 K CA 1.552 57.916 56.287 0.127 0.000 0.956 183 K CB -0.085 32.508 32.500 0.156 0.000 0.735 183 K HN 1.001 nan 8.250 nan 0.000 0.451 184 G N -0.250 108.576 108.800 0.044 0.000 2.428 184 G HA2 0.356 4.317 3.960 0.001 0.000 0.304 184 G HA3 0.356 4.317 3.960 0.001 0.000 0.304 184 G C -1.974 172.626 174.900 -0.500 0.000 1.303 184 G CA -0.760 44.032 45.100 -0.512 0.000 0.825 184 G HN 0.080 nan 8.290 nan 0.000 0.484 185 M N 0.139 119.241 119.600 -0.830 0.000 2.378 185 M HA 0.658 5.138 4.480 0.001 0.000 0.289 185 M C -1.490 174.715 176.300 -0.158 0.000 1.136 185 M CA -0.712 54.300 55.300 -0.481 0.000 0.917 185 M CB 1.822 33.933 32.600 -0.815 0.000 1.669 185 M HN 0.369 nan 8.290 nan 0.000 0.461 186 F N 4.380 124.510 119.950 0.299 0.000 2.418 186 F HA 0.472 4.999 4.527 0.001 0.000 0.341 186 F C -0.122 175.880 175.800 0.336 0.000 1.120 186 F CA 0.444 58.660 58.000 0.360 0.000 1.232 186 F CB 0.482 39.675 39.000 0.322 0.000 1.175 186 F HN 0.520 nan 8.300 nan 0.000 0.569 187 Y N -0.695 119.825 120.300 0.367 0.000 2.750 187 Y HA 0.561 5.111 4.550 0.001 0.000 0.335 187 Y C -1.970 174.091 175.900 0.267 0.000 1.252 187 Y CA -2.095 56.148 58.100 0.239 0.000 1.064 187 Y CB 0.779 39.319 38.460 0.132 0.000 1.321 187 Y HN 0.530 nan 8.280 nan 0.000 0.451 188 N N 0.546 119.326 118.700 0.133 0.000 2.370 188 N HA 0.861 5.602 4.740 0.001 0.000 0.303 188 N C -1.477 174.140 175.510 0.179 0.000 1.103 188 N CA -0.617 52.461 53.050 0.048 0.000 0.848 188 N CB 2.234 40.764 38.487 0.072 0.000 1.235 188 N HN 0.966 nan 8.380 nan 0.000 0.496 189 A N 0.904 123.818 122.820 0.157 0.000 2.587 189 A HA 0.621 4.942 4.320 0.001 0.000 0.293 189 A C -1.890 175.787 177.584 0.154 0.000 1.087 189 A CA -0.521 51.678 52.037 0.268 0.000 0.692 189 A CB 0.701 19.887 19.000 0.311 0.000 1.291 189 A HN 0.609 nan 8.150 nan 0.000 0.407 190 Y N 0.906 121.415 120.300 0.348 0.000 2.419 190 Y HA 0.527 5.077 4.550 0.001 0.000 0.328 190 Y C -1.875 174.186 175.900 0.268 0.000 1.162 190 Y CA -1.881 56.417 58.100 0.331 0.000 1.174 190 Y CB 1.072 39.775 38.460 0.404 0.000 1.228 190 Y HN 0.466 nan 8.280 nan 0.000 0.473 191 P HA 0.024 nan 4.420 nan 0.000 0.272 191 P C -0.879 176.541 177.300 0.201 0.000 1.230 191 P CA -0.455 62.791 63.100 0.244 0.000 0.788 191 P CB 0.566 32.381 31.700 0.191 0.000 0.949 192 Q N 0.932 120.799 119.800 0.112 0.000 2.369 192 Q HA -0.014 4.326 4.340 0.001 0.000 0.295 192 Q C 0.359 176.401 176.000 0.071 0.000 1.075 192 Q CA 0.910 56.748 55.803 0.059 0.000 0.941 192 Q CB 0.220 28.971 28.738 0.022 0.000 1.260 192 Q HN 0.539 nan 8.270 nan 0.000 0.417 193 Q N 0.484 120.312 119.800 0.046 0.000 2.456 193 Q HA 0.457 4.797 4.340 0.001 0.000 0.283 193 Q C -1.210 174.804 176.000 0.024 0.000 1.084 193 Q CA -1.013 54.824 55.803 0.056 0.000 0.801 193 Q CB 1.484 30.280 28.738 0.098 0.000 1.434 193 Q HN 0.277 nan 8.270 nan 0.000 0.419 194 D N 0.623 121.040 120.400 0.029 0.000 2.399 194 D HA 0.432 5.072 4.640 0.001 0.000 0.241 194 D C 0.817 177.126 176.300 0.015 0.000 1.133 194 D CA 1.878 55.887 54.000 0.016 0.000 0.890 194 D CB 0.908 41.719 40.800 0.019 0.000 1.201 194 D HN 0.916 nan 8.370 nan 0.000 0.432 195 G N 1.455 110.256 108.800 0.002 0.000 2.642 195 G HA2 -0.237 3.724 3.960 0.001 0.000 0.231 195 G HA3 -0.237 3.724 3.960 0.001 0.000 0.231 195 G C -0.401 174.490 174.900 -0.015 0.000 1.338 195 G CA -0.556 44.545 45.100 0.001 0.000 0.883 195 G HN 0.531 nan 8.290 nan 0.000 0.570 196 K N -0.244 120.150 120.400 -0.010 0.000 2.154 196 K HA 0.560 4.881 4.320 0.001 0.000 0.264 196 K C -0.046 176.529 176.600 -0.041 0.000 1.008 196 K CA 0.231 56.499 56.287 -0.032 0.000 0.937 196 K CB 0.986 33.478 32.500 -0.013 0.000 1.002 196 K HN 0.362 nan 8.250 nan 0.000 0.469 197 S N 1.975 117.578 115.700 -0.162 0.000 2.204 197 S HA 0.041 4.512 4.470 0.001 0.000 0.178 197 S C -0.650 173.671 174.600 -0.466 0.000 1.493 197 S CA -0.625 57.348 58.200 -0.378 0.000 1.266 197 S CB 0.017 62.688 63.200 -0.881 0.000 1.232 197 S HN 0.737 nan 8.310 nan 0.000 0.406 198 D N -0.205 120.181 120.400 -0.023 0.000 2.500 198 D HA 0.267 4.907 4.640 0.001 0.000 0.217 198 D C 1.235 177.739 176.300 0.340 0.000 1.159 198 D CA 0.459 54.526 54.000 0.111 0.000 0.828 198 D CB -0.001 40.851 40.800 0.086 0.000 1.039 198 D HN 0.491 nan 8.370 nan 0.000 0.512 199 G N 0.405 109.433 108.800 0.380 0.000 2.195 199 G HA2 -0.318 3.643 3.960 0.001 0.000 0.224 199 G HA3 -0.318 3.643 3.960 0.001 0.000 0.224 199 G C 1.137 176.069 174.900 0.053 0.000 0.990 199 G CA 0.716 45.988 45.100 0.288 0.000 0.639 199 G HN 0.624 nan 8.290 nan 0.000 0.514 200 T N -0.790 113.718 114.554 -0.077 0.000 3.044 200 T HA 0.367 4.718 4.350 0.001 0.000 0.250 200 T C 0.981 175.653 174.700 -0.048 0.000 1.081 200 T CA 1.007 63.003 62.100 -0.172 0.000 1.040 200 T CB 0.241 68.945 68.868 -0.273 0.000 0.962 200 T HN 0.788 nan 8.240 nan 0.000 0.506 201 E N 2.309 122.527 120.200 0.030 0.000 2.342 201 E HA 0.146 4.496 4.350 0.001 0.000 0.257 201 E C 0.451 177.086 176.600 0.058 0.000 1.150 201 E CA 0.051 56.482 56.400 0.051 0.000 0.926 201 E CB 1.095 30.853 29.700 0.096 0.000 1.074 201 E HN 0.290 nan 8.360 nan 0.000 0.449 202 T N -2.244 112.346 114.554 0.059 0.000 3.044 202 T HA 0.155 4.505 4.350 0.001 0.000 0.260 202 T C 0.205 175.010 174.700 0.174 0.000 1.019 202 T CA -0.426 61.725 62.100 0.085 0.000 0.921 202 T CB -0.129 68.736 68.868 -0.006 0.000 1.053 202 T HN 0.274 nan 8.240 nan 0.000 0.533 203 S N 2.815 118.597 115.700 0.138 0.000 2.558 203 S HA 0.206 4.676 4.470 0.001 0.000 0.293 203 S C 0.538 175.201 174.600 0.105 0.000 1.292 203 S CA -0.165 58.111 58.200 0.125 0.000 1.063 203 S CB 0.714 63.987 63.200 0.122 0.000 0.831 203 S HN 0.558 nan 8.310 nan 0.000 0.499 204 T N 2.847 117.450 114.554 0.081 0.000 2.930 204 T HA 0.082 4.432 4.350 0.001 0.000 0.306 204 T C -0.058 174.683 174.700 0.069 0.000 1.045 204 T CA -0.291 61.850 62.100 0.068 0.000 1.134 204 T CB -0.285 68.608 68.868 0.041 0.000 0.961 204 T HN 0.625 nan 8.240 nan 0.000 0.545 205 N N 4.373 123.109 118.700 0.059 0.000 2.485 205 N HA 0.535 5.276 4.740 0.001 0.000 0.243 205 N C -0.916 174.743 175.510 0.248 0.000 0.987 205 N CA -0.451 52.562 53.050 -0.063 0.000 0.940 205 N CB 0.965 39.178 38.487 -0.457 0.000 1.122 205 N HN 0.426 nan 8.380 nan 0.000 0.509 206 L N 0.976 122.390 121.223 0.318 0.000 2.327 206 L HA 0.489 4.830 4.340 0.001 0.000 0.258 206 L C 0.107 177.244 176.870 0.446 0.000 1.024 206 L CA -0.980 54.021 54.840 0.269 0.000 0.825 206 L CB 1.427 43.514 42.059 0.046 0.000 1.386 206 L HN 0.647 nan 8.230 nan 0.000 0.417 207 H N -0.154 119.062 119.070 0.244 0.000 2.839 207 H HA -0.167 4.389 4.556 0.001 0.000 0.298 207 H C 0.184 175.575 175.328 0.104 0.000 1.224 207 H CA 0.490 56.639 56.048 0.168 0.000 1.144 207 H CB -0.782 29.061 29.762 0.136 0.000 1.372 207 H HN 0.605 nan 8.280 nan 0.000 0.408 208 Q N 1.140 120.969 119.800 0.047 0.000 2.330 208 Q HA 0.176 4.517 4.340 0.001 0.000 0.279 208 Q C -0.057 175.890 176.000 -0.089 0.000 1.024 208 Q CA 0.583 56.174 55.803 -0.353 0.000 0.900 208 Q CB 0.689 29.123 28.738 -0.507 0.000 1.221 208 Q HN 0.351 nan 8.270 nan 0.000 0.396 209 K N 2.595 122.917 120.400 -0.131 0.000 2.350 209 K HA 0.476 4.796 4.320 0.001 0.000 0.241 209 K C -1.277 175.157 176.600 -0.276 0.000 0.994 209 K CA -0.971 55.176 56.287 -0.234 0.000 0.839 209 K CB 1.311 33.599 32.500 -0.354 0.000 1.244 209 K HN 0.411 nan 8.250 nan 0.000 0.443 210 L N 2.134 123.142 121.223 -0.358 0.000 2.272 210 L HA 0.409 4.750 4.340 0.001 0.000 0.289 210 L C -1.647 175.009 176.870 -0.356 0.000 1.032 210 L CA -0.049 54.662 54.840 -0.216 0.000 0.810 210 L CB 0.266 42.297 42.059 -0.047 0.000 1.205 210 L HN 0.450 nan 8.230 nan 0.000 0.422 211 Y N 3.867 124.073 120.300 -0.157 0.000 2.587 211 Y HA 0.477 5.027 4.550 0.001 0.000 0.337 211 Y C -1.141 174.822 175.900 0.106 0.000 1.065 211 Y CA -0.328 57.698 58.100 -0.122 0.000 1.126 211 Y CB 1.715 39.918 38.460 -0.429 0.000 1.279 211 Y HN 0.505 nan 8.280 nan 0.000 0.489 212 Y N 1.534 121.968 120.300 0.223 0.000 2.331 212 Y HA 0.377 4.928 4.550 0.001 0.000 0.334 212 Y C -1.152 174.839 175.900 0.153 0.000 0.960 212 Y CA -1.171 56.951 58.100 0.037 0.000 1.130 212 Y CB 0.519 38.855 38.460 -0.207 0.000 1.164 212 Y HN 0.698 nan 8.280 nan 0.000 0.458 213 H N 4.877 123.749 119.070 -0.331 0.000 2.519 213 H HA 0.540 5.096 4.556 0.001 0.000 0.316 213 H C -1.291 173.602 175.328 -0.725 0.000 1.065 213 H CA -0.523 55.306 56.048 -0.366 0.000 1.264 213 H CB 0.873 30.468 29.762 -0.278 0.000 1.413 213 H HN 0.512 nan 8.280 nan 0.000 0.465 214 V N 7.146 126.451 119.914 -1.015 0.000 2.455 214 V HA 0.005 4.125 4.120 0.001 0.000 0.273 214 V C 0.309 175.801 176.094 -1.004 0.000 1.045 214 V CA -0.615 61.200 62.300 -0.808 0.000 0.976 214 V CB 0.496 32.078 31.823 -0.400 0.000 0.993 214 V HN 0.656 nan 8.190 nan 0.000 0.475 215 L N 5.358 126.170 121.223 -0.685 0.000 2.499 215 L HA 0.511 4.851 4.340 0.001 0.000 0.273 215 L C 1.166 177.817 176.870 -0.365 0.000 1.195 215 L CA 1.864 56.383 54.840 -0.536 0.000 0.882 215 L CB 0.405 42.278 42.059 -0.309 0.000 1.133 215 L HN 0.969 nan 8.230 nan 0.000 0.483 216 G N 1.625 110.258 108.800 -0.278 0.000 2.141 216 G HA2 -0.223 3.738 3.960 0.001 0.000 0.231 216 G HA3 -0.223 3.738 3.960 0.001 0.000 0.231 216 G C 0.206 175.022 174.900 -0.140 0.000 0.984 216 G CA 0.284 45.290 45.100 -0.156 0.000 0.660 216 G HN 1.049 nan 8.290 nan 0.000 0.525 217 T N -2.159 112.284 114.554 -0.186 0.000 2.926 217 T HA 0.665 5.015 4.350 0.001 0.000 0.289 217 T C -0.715 173.994 174.700 0.015 0.000 1.054 217 T CA -0.517 61.516 62.100 -0.111 0.000 1.015 217 T CB 2.561 71.326 68.868 -0.172 0.000 1.167 217 T HN -0.040 nan 8.240 nan 0.000 0.526 218 D N 0.847 121.252 120.400 0.009 0.000 2.339 218 D HA 0.138 4.778 4.640 0.001 0.000 0.245 218 D C 1.190 177.521 176.300 0.051 0.000 1.115 218 D CA -0.267 53.743 54.000 0.018 0.000 0.917 218 D CB 1.444 42.237 40.800 -0.011 0.000 1.192 218 D HN 0.795 nan 8.370 nan 0.000 0.428 219 Q N 1.087 120.882 119.800 -0.009 0.000 2.181 219 Q HA -0.197 4.144 4.340 0.001 0.000 0.205 219 Q C 1.571 177.565 176.000 -0.010 0.000 0.980 219 Q CA 1.683 57.468 55.803 -0.029 0.000 0.862 219 Q CB 0.089 28.748 28.738 -0.132 0.000 0.905 219 Q HN 0.531 nan 8.270 nan 0.000 0.429 220 S N -0.284 115.404 115.700 -0.020 0.000 2.440 220 S HA -0.168 4.302 4.470 0.001 0.000 0.238 220 S C 1.152 175.758 174.600 0.010 0.000 1.010 220 S CA 1.339 59.529 58.200 -0.015 0.000 0.972 220 S CB -0.165 63.026 63.200 -0.015 0.000 0.774 220 S HN 0.494 nan 8.310 nan 0.000 0.501 221 E N 1.032 121.246 120.200 0.022 0.000 2.479 221 E HA 0.114 4.464 4.350 0.001 0.000 0.193 221 E C -0.550 176.087 176.600 0.062 0.000 1.049 221 E CA -0.159 56.259 56.400 0.029 0.000 0.870 221 E CB -0.004 29.696 29.700 0.001 0.000 0.944 221 E HN 0.513 nan 8.360 nan 0.000 0.492 222 D N 1.034 121.493 120.400 0.097 0.000 2.449 222 D HA 0.001 4.641 4.640 0.001 0.000 0.236 222 D C 0.077 176.524 176.300 0.246 0.000 1.149 222 D CA 0.326 54.432 54.000 0.176 0.000 0.878 222 D CB 0.726 41.664 40.800 0.230 0.000 1.198 222 D HN -0.065 nan 8.370 nan 0.000 0.446 223 I N 2.195 122.937 120.570 0.287 0.000 2.395 223 I HA 0.088 4.259 4.170 0.001 0.000 0.289 223 I C 0.335 176.637 176.117 0.309 0.000 1.023 223 I CA -0.784 60.673 61.300 0.262 0.000 1.350 223 I CB 0.533 38.668 38.000 0.226 0.000 1.409 223 I HN 0.220 nan 8.210 nan 0.000 0.507 224 L N 7.012 128.354 121.223 0.198 0.000 2.315 224 L HA 0.220 4.561 4.340 0.001 0.000 0.283 224 L C 0.415 177.285 176.870 0.001 0.000 1.089 224 L CA 0.557 55.370 54.840 -0.046 0.000 0.833 224 L CB 0.840 42.860 42.059 -0.065 0.000 1.170 224 L HN 0.749 nan 8.230 nan 0.000 0.442 225 C N 3.814 123.123 119.300 0.014 0.000 2.820 225 C HA 0.748 5.209 4.460 0.001 0.000 0.323 225 C C 0.810 175.981 174.990 0.302 0.000 1.279 225 C CA 0.138 59.270 59.018 0.189 0.000 1.790 225 C CB -0.560 27.404 27.740 0.373 0.000 2.328 225 C HN 0.911 nan 8.230 nan 0.000 0.579 226 A N 1.088 123.944 122.820 0.061 0.000 2.547 226 A HA 0.698 5.019 4.320 0.001 0.000 0.297 226 A C -1.151 176.121 177.584 -0.521 0.000 1.056 226 A CA -0.355 51.614 52.037 -0.113 0.000 0.688 226 A CB 1.053 19.955 19.000 -0.165 0.000 1.282 226 A HN 0.498 nan 8.150 nan 0.000 0.400 227 E N 0.086 119.836 120.200 -0.750 0.000 2.412 227 E HA 0.718 5.069 4.350 0.001 0.000 0.279 227 E C -1.856 174.166 176.600 -0.965 0.000 0.984 227 E CA -0.860 55.023 56.400 -0.861 0.000 0.788 227 E CB 1.387 30.877 29.700 -0.350 0.000 1.277 227 E HN 0.423 nan 8.360 nan 0.000 0.455 228 F N 0.683 120.654 119.950 0.034 0.000 2.584 228 F HA 0.344 4.871 4.527 0.001 0.000 0.328 228 F C -1.980 173.786 175.800 -0.057 0.000 1.407 228 F CA -2.042 55.937 58.000 -0.036 0.000 1.145 228 F CB 1.297 40.264 39.000 -0.056 0.000 1.440 228 F HN 0.329 nan 8.300 nan 0.000 0.580 229 P HA -0.135 nan 4.420 nan 0.000 0.220 229 P C 0.571 177.933 177.300 0.104 0.000 1.148 229 P CA 1.432 64.615 63.100 0.137 0.000 0.803 229 P CB 0.447 32.174 31.700 0.045 0.000 0.782 230 D N -0.487 119.898 120.400 -0.025 0.000 2.339 230 D HA 0.026 4.667 4.640 0.001 0.000 0.217 230 D C 0.322 176.481 176.300 -0.236 0.000 1.050 230 D CA 0.658 54.601 54.000 -0.094 0.000 0.856 230 D CB 0.257 41.000 40.800 -0.096 0.000 0.922 230 D HN 0.206 nan 8.370 nan 0.000 0.518 231 E N 0.344 120.331 120.200 -0.354 0.000 3.386 231 E HA 0.169 4.519 4.350 0.001 0.000 0.236 231 E C -2.030 174.306 176.600 -0.440 0.000 1.227 231 E CA -1.518 54.494 56.400 -0.647 0.000 0.970 231 E CB 1.864 30.546 29.700 -1.696 0.000 1.343 231 E HN -0.022 nan 8.360 nan 0.000 0.397 232 P HA -0.083 nan 4.420 nan 0.000 0.225 232 P C 0.911 178.030 177.300 -0.301 0.000 1.148 232 P CA 1.036 63.783 63.100 -0.589 0.000 0.779 232 P CB 0.380 31.684 31.700 -0.661 0.000 0.780 233 K N -2.755 117.538 120.400 -0.178 0.000 2.393 233 K HA 0.005 4.326 4.320 0.001 0.000 0.193 233 K C 0.188 176.915 176.600 0.212 0.000 1.026 233 K CA -0.044 56.215 56.287 -0.046 0.000 1.064 233 K CB 0.015 32.470 32.500 -0.076 0.000 0.833 233 K HN 0.138 nan 8.250 nan 0.000 0.521 234 W N 1.641 122.882 121.300 -0.099 0.000 2.170 234 W HA 0.207 4.867 4.660 0.001 0.000 0.336 234 W C 0.159 176.620 176.519 -0.097 0.000 1.283 234 W CA -0.312 56.918 57.345 -0.192 0.000 1.224 234 W CB 0.051 29.225 29.460 -0.476 0.000 1.132 234 W HN -0.102 nan 8.180 nan 0.000 0.571 235 M N 2.932 122.557 119.600 0.042 0.000 2.151 235 M HA 0.380 4.860 4.480 0.001 0.000 0.290 235 M C 0.301 176.583 176.300 -0.030 0.000 0.965 235 M CA -0.390 54.954 55.300 0.074 0.000 0.930 235 M CB 1.906 34.548 32.600 0.071 0.000 1.560 235 M HN 0.508 nan 8.290 nan 0.000 0.438 236 G N 1.796 110.656 108.800 0.100 0.000 2.415 236 G HA2 0.640 4.600 3.960 0.001 0.000 0.317 236 G HA3 0.640 4.600 3.960 0.001 0.000 0.317 236 G C -0.270 174.621 174.900 -0.015 0.000 1.152 236 G CA -0.495 44.594 45.100 -0.017 0.000 0.956 236 G HN 0.815 nan 8.290 nan 0.000 0.458 237 G N 0.451 109.223 108.800 -0.046 0.000 2.371 237 G HA2 0.714 4.674 3.960 0.001 0.000 0.326 237 G HA3 0.714 4.674 3.960 0.001 0.000 0.326 237 G C -0.197 174.693 174.900 -0.016 0.000 1.127 237 G CA -0.090 45.014 45.100 0.008 0.000 0.885 237 G HN 0.982 nan 8.290 nan 0.000 0.477 238 A N 1.784 124.611 122.820 0.013 0.000 2.325 238 A HA 0.863 5.183 4.320 0.001 0.000 0.333 238 A C -0.054 177.576 177.584 0.076 0.000 1.155 238 A CA -0.703 51.315 52.037 -0.031 0.000 0.814 238 A CB 1.158 20.006 19.000 -0.253 0.000 1.206 238 A HN 0.876 nan 8.150 nan 0.000 0.482 239 E N 1.771 122.024 120.200 0.088 0.000 2.383 239 E HA 0.565 4.915 4.350 0.001 0.000 0.275 239 E C -1.669 175.023 176.600 0.154 0.000 0.918 239 E CA -0.911 55.589 56.400 0.167 0.000 0.764 239 E CB 1.128 30.932 29.700 0.174 0.000 1.252 239 E HN 0.359 nan 8.360 nan 0.000 0.449 240 L N 2.486 123.849 121.223 0.233 0.000 2.334 240 L HA 0.263 4.604 4.340 0.001 0.000 0.277 240 L C 0.713 177.639 176.870 0.095 0.000 1.075 240 L CA -0.253 54.696 54.840 0.181 0.000 0.804 240 L CB 1.288 43.487 42.059 0.234 0.000 1.174 240 L HN 0.876 nan 8.230 nan 0.000 0.438 241 S N 1.150 116.860 115.700 0.017 0.000 2.569 241 S HA -0.002 4.469 4.470 0.001 0.000 0.274 241 S C 0.791 175.488 174.600 0.162 0.000 1.353 241 S CA -0.545 57.654 58.200 -0.002 0.000 1.023 241 S CB 0.687 63.987 63.200 0.166 0.000 0.876 241 S HN 0.556 nan 8.310 nan 0.000 0.540 242 D N 1.356 121.941 120.400 0.309 0.000 2.182 242 D HA -0.110 4.530 4.640 0.001 0.000 0.201 242 D C 1.248 177.714 176.300 0.278 0.000 0.986 242 D CA 1.680 55.869 54.000 0.315 0.000 0.847 242 D CB -0.453 40.485 40.800 0.231 0.000 0.942 242 D HN 0.897 nan 8.370 nan 0.000 0.467 243 D N -1.238 119.252 120.400 0.151 0.000 2.340 243 D HA 0.122 4.763 4.640 0.001 0.000 0.220 243 D C 1.591 177.903 176.300 0.020 0.000 1.039 243 D CA 0.748 54.818 54.000 0.116 0.000 0.866 243 D CB -0.129 40.720 40.800 0.082 0.000 0.913 243 D HN 0.190 nan 8.370 nan 0.000 0.523 244 G N 1.048 109.689 108.800 -0.264 0.000 2.179 244 G HA2 -0.452 3.509 3.960 0.001 0.000 0.260 244 G HA3 -0.452 3.509 3.960 0.001 0.000 0.260 244 G C 1.186 175.970 174.900 -0.194 0.000 0.977 244 G CA 0.447 45.174 45.100 -0.622 0.000 0.641 244 G HN 0.527 nan 8.290 nan 0.000 0.533 245 R N -0.754 119.699 120.500 -0.078 0.000 2.119 245 R HA 0.247 4.587 4.340 0.001 0.000 0.222 245 R C 0.203 176.354 176.300 -0.249 0.000 1.088 245 R CA 0.803 56.791 56.100 -0.186 0.000 0.984 245 R CB -0.003 30.121 30.300 -0.294 0.000 0.884 245 R HN 0.425 nan 8.270 nan 0.000 0.447 246 Y N -0.513 119.842 120.300 0.092 0.000 2.409 246 Y HA 0.363 4.913 4.550 0.001 0.000 0.343 246 Y C -0.534 175.435 175.900 0.116 0.000 0.973 246 Y CA -1.206 56.986 58.100 0.152 0.000 1.064 246 Y CB 2.188 40.800 38.460 0.253 0.000 1.207 246 Y HN -0.332 nan 8.280 nan 0.000 0.452 247 V N 5.120 125.198 119.914 0.274 0.000 2.432 247 V HA 0.278 4.399 4.120 0.001 0.000 0.275 247 V C -0.156 176.134 176.094 0.327 0.000 1.043 247 V CA -0.694 61.726 62.300 0.200 0.000 0.925 247 V CB 0.626 32.473 31.823 0.040 0.000 0.985 247 V HN 0.546 nan 8.190 nan 0.000 0.466 248 L N 5.841 127.196 121.223 0.220 0.000 2.282 248 L HA 0.542 4.882 4.340 0.001 0.000 0.288 248 L C -0.534 176.416 176.870 0.134 0.000 1.033 248 L CA -0.562 54.411 54.840 0.221 0.000 0.807 248 L CB 1.483 43.624 42.059 0.137 0.000 1.209 248 L HN 0.456 nan 8.230 nan 0.000 0.423 249 L N 2.857 124.122 121.223 0.069 0.000 2.280 249 L HA 0.406 4.747 4.340 0.001 0.000 0.287 249 L C -0.199 176.525 176.870 -0.243 0.000 1.023 249 L CA 0.369 55.089 54.840 -0.201 0.000 0.819 249 L CB 1.534 43.205 42.059 -0.647 0.000 1.212 249 L HN 0.489 nan 8.230 nan 0.000 0.420 250 S N 6.381 121.973 115.700 -0.180 0.000 2.420 250 S HA 0.568 5.038 4.470 0.001 0.000 0.313 250 S C -0.142 174.291 174.600 -0.279 0.000 1.079 250 S CA -0.350 57.745 58.200 -0.175 0.000 1.104 250 S CB 0.240 63.421 63.200 -0.032 0.000 0.969 250 S HN 0.463 nan 8.310 nan 0.000 0.471 251 I N 4.472 124.772 120.570 -0.450 0.000 2.315 251 I HA 0.403 4.573 4.170 0.001 0.000 0.291 251 I C 0.419 176.361 176.117 -0.291 0.000 1.006 251 I CA -0.572 60.401 61.300 -0.546 0.000 1.265 251 I CB 0.706 38.084 38.000 -1.037 0.000 1.387 251 I HN 0.282 nan 8.210 nan 0.000 0.475 252 R N 5.086 125.442 120.500 -0.240 0.000 2.664 252 R HA 0.511 4.852 4.340 0.001 0.000 0.286 252 R C -0.687 175.396 176.300 -0.361 0.000 0.967 252 R CA -0.769 55.205 56.100 -0.210 0.000 0.933 252 R CB 2.250 32.471 30.300 -0.133 0.000 1.146 252 R HN 0.593 nan 8.270 nan 0.000 0.468 253 E N 0.867 120.702 120.200 -0.608 0.000 2.460 253 E HA 0.386 4.736 4.350 0.001 0.000 0.249 253 E C -0.505 175.899 176.600 -0.327 0.000 0.962 253 E CA -0.218 55.890 56.400 -0.487 0.000 0.787 253 E CB 0.888 30.127 29.700 -0.770 0.000 1.341 253 E HN 0.861 nan 8.360 nan 0.000 0.407 254 G N 1.548 110.275 108.800 -0.122 0.000 2.582 254 G HA2 -0.239 3.721 3.960 0.001 0.000 0.222 254 G HA3 -0.239 3.721 3.960 0.001 0.000 0.222 254 G C 0.333 175.220 174.900 -0.023 0.000 1.311 254 G CA -0.317 44.760 45.100 -0.038 0.000 0.915 254 G HN 0.557 nan 8.290 nan 0.000 0.528 255 C N 0.795 120.137 119.300 0.071 0.000 3.038 255 C HA 0.365 4.825 4.460 0.001 0.000 0.279 255 C C 0.725 175.773 174.990 0.098 0.000 1.276 255 C CA -0.362 58.735 59.018 0.132 0.000 1.697 255 C CB -1.103 26.861 27.740 0.373 0.000 2.032 255 C HN 0.617 nan 8.230 nan 0.000 0.636 256 D N 2.879 123.309 120.400 0.049 0.000 2.382 256 D HA 0.108 4.748 4.640 0.001 0.000 0.240 256 D C -2.022 174.306 176.300 0.047 0.000 1.146 256 D CA -0.810 53.233 54.000 0.071 0.000 0.897 256 D CB 0.513 41.336 40.800 0.038 0.000 1.197 256 D HN 0.163 nan 8.370 nan 0.000 0.432 257 P HA 0.073 nan 4.420 nan 0.000 0.231 257 P C -0.721 176.613 177.300 0.056 0.000 1.811 257 P CA -0.192 62.954 63.100 0.078 0.000 1.051 257 P CB -0.091 31.697 31.700 0.147 0.000 1.951 258 V N 0.167 120.104 119.914 0.039 0.000 3.147 258 V HA 0.797 4.917 4.120 0.001 0.000 0.306 258 V C -1.326 174.822 176.094 0.090 0.000 1.209 258 V CA -1.040 61.293 62.300 0.055 0.000 1.023 258 V CB 2.936 34.808 31.823 0.081 0.000 1.059 258 V HN 0.504 nan 8.190 nan 0.000 0.435 259 N N 0.802 119.581 118.700 0.131 0.000 2.636 259 N HA 0.381 5.121 4.740 0.001 0.000 0.261 259 N C -1.220 174.267 175.510 -0.040 0.000 1.195 259 N CA -0.880 52.220 53.050 0.084 0.000 0.902 259 N CB 2.199 40.694 38.487 0.013 0.000 1.627 259 N HN 0.837 nan 8.380 nan 0.000 0.491 260 R N 0.195 120.488 120.500 -0.345 0.000 2.679 260 R HA 0.352 4.692 4.340 0.001 0.000 0.269 260 R C -0.518 175.559 176.300 -0.371 0.000 1.076 260 R CA -0.498 55.307 56.100 -0.492 0.000 1.160 260 R CB 0.579 30.354 30.300 -0.876 0.000 1.054 260 R HN 0.456 nan 8.270 nan 0.000 0.507 261 L N 3.379 124.445 121.223 -0.262 0.000 2.406 261 L HA 0.384 4.724 4.340 0.001 0.000 0.270 261 L C -1.738 175.173 176.870 0.069 0.000 0.982 261 L CA -0.340 54.403 54.840 -0.162 0.000 0.843 261 L CB 1.143 43.065 42.059 -0.229 0.000 1.225 261 L HN 0.646 nan 8.230 nan 0.000 0.412 262 W N 4.784 125.973 121.300 -0.186 0.000 2.647 262 W HA 0.595 5.255 4.660 0.001 0.000 0.353 262 W C -0.304 176.261 176.519 0.077 0.000 1.080 262 W CA -0.970 56.288 57.345 -0.144 0.000 1.208 262 W CB 1.014 30.343 29.460 -0.218 0.000 1.396 262 W HN 0.474 nan 8.180 nan 0.000 0.573 263 Y N -0.703 119.780 120.300 0.305 0.000 2.553 263 Y HA 0.678 5.229 4.550 0.001 0.000 0.347 263 Y C -1.029 175.080 175.900 0.350 0.000 1.019 263 Y CA -2.067 56.210 58.100 0.296 0.000 1.032 263 Y CB 1.330 39.767 38.460 -0.039 0.000 1.284 263 Y HN 0.484 nan 8.280 nan 0.000 0.466 264 C N 3.591 123.158 119.300 0.445 0.000 2.364 264 C HA 0.441 4.902 4.460 0.001 0.000 0.324 264 C C -0.760 174.382 174.990 0.253 0.000 1.234 264 C CA -0.581 58.480 59.018 0.071 0.000 1.417 264 C CB -0.114 27.335 27.740 -0.483 0.000 2.101 264 C HN 0.918 nan 8.230 nan 0.000 0.466 265 D N 4.611 125.162 120.400 0.251 0.000 2.344 265 D HA 0.125 4.766 4.640 0.001 0.000 0.253 265 D C 1.114 177.357 176.300 -0.094 0.000 1.255 265 D CA 0.042 54.048 54.000 0.010 0.000 0.894 265 D CB 0.581 41.433 40.800 0.087 0.000 1.067 265 D HN 0.715 nan 8.370 nan 0.000 0.492 266 L N 3.009 124.154 121.223 -0.129 0.000 2.191 266 L HA -0.158 4.182 4.340 0.001 0.000 0.212 266 L C 2.369 179.184 176.870 -0.091 0.000 1.103 266 L CA 0.801 55.582 54.840 -0.098 0.000 0.769 266 L CB -0.254 41.769 42.059 -0.060 0.000 0.908 266 L HN 0.562 nan 8.230 nan 0.000 0.438 267 Q N -0.099 119.638 119.800 -0.105 0.000 2.291 267 Q HA -0.200 4.140 4.340 0.001 0.000 0.205 267 Q C 1.675 177.642 176.000 -0.054 0.000 0.970 267 Q CA 1.009 56.769 55.803 -0.072 0.000 0.876 267 Q CB 0.202 28.894 28.738 -0.076 0.000 0.935 267 Q HN 0.516 nan 8.270 nan 0.000 0.455 268 Q N 0.399 120.165 119.800 -0.058 0.000 2.403 268 Q HA 0.073 4.413 4.340 0.001 0.000 0.203 268 Q C -0.225 175.739 176.000 -0.060 0.000 0.932 268 Q CA 0.249 56.027 55.803 -0.043 0.000 0.945 268 Q CB 0.477 29.203 28.738 -0.022 0.000 1.045 268 Q HN 0.320 nan 8.270 nan 0.000 0.511 269 E N 0.372 120.526 120.200 -0.077 0.000 2.392 269 E HA 0.049 4.399 4.350 0.001 0.000 0.264 269 E C 0.767 177.331 176.600 -0.061 0.000 1.024 269 E CA 0.056 56.405 56.400 -0.086 0.000 0.903 269 E CB 1.156 30.793 29.700 -0.104 0.000 0.963 269 E HN -0.029 nan 8.360 nan 0.000 0.432 270 S N 2.114 117.780 115.700 -0.057 0.000 2.383 270 S HA -0.157 4.313 4.470 0.001 0.000 0.227 270 S C 1.044 175.624 174.600 -0.033 0.000 1.026 270 S CA 1.149 59.325 58.200 -0.041 0.000 0.981 270 S CB 0.020 63.198 63.200 -0.037 0.000 0.818 270 S HN 0.458 nan 8.310 nan 0.000 0.472 271 N N -0.202 118.475 118.700 -0.038 0.000 2.620 271 N HA 0.336 5.076 4.740 0.001 0.000 0.277 271 N C -0.039 175.451 175.510 -0.033 0.000 1.726 271 N CA 0.685 53.718 53.050 -0.028 0.000 0.840 271 N CB 0.132 38.607 38.487 -0.021 0.000 1.379 271 N HN 0.310 nan 8.380 nan 0.000 0.506 272 G N 0.773 109.547 108.800 -0.044 0.000 2.645 272 G HA2 -0.267 3.693 3.960 0.001 0.000 0.246 272 G HA3 -0.267 3.693 3.960 0.001 0.000 0.246 272 G C -0.321 174.525 174.900 -0.089 0.000 1.322 272 G CA -0.210 44.855 45.100 -0.058 0.000 0.898 272 G HN 0.312 nan 8.290 nan 0.000 0.573 273 I N 2.060 122.551 120.570 -0.132 0.000 2.294 273 I HA 0.341 4.511 4.170 0.001 0.000 0.295 273 I C 1.586 177.658 176.117 -0.074 0.000 1.098 273 I CA 0.736 61.928 61.300 -0.180 0.000 1.277 273 I CB 0.854 38.572 38.000 -0.470 0.000 1.434 273 I HN 0.806 nan 8.210 nan 0.000 0.498 274 T N 0.498 115.024 114.554 -0.046 0.000 3.016 274 T HA 0.499 4.849 4.350 0.001 0.000 0.271 274 T C 0.511 175.215 174.700 0.008 0.000 0.968 274 T CA 0.135 62.231 62.100 -0.006 0.000 0.891 274 T CB 0.807 69.667 68.868 -0.013 0.000 1.149 274 T HN 0.659 nan 8.240 nan 0.000 0.524 275 G N 1.330 110.129 108.800 -0.002 0.000 2.450 275 G HA2 0.442 4.403 3.960 0.001 0.000 0.273 275 G HA3 0.442 4.403 3.960 0.001 0.000 0.273 275 G C -1.638 173.267 174.900 0.007 0.000 1.221 275 G CA -0.907 44.202 45.100 0.014 0.000 0.900 275 G HN 0.198 nan 8.290 nan 0.000 0.483 276 I N 2.295 122.873 120.570 0.014 0.000 2.741 276 I HA 0.131 4.301 4.170 0.001 0.000 0.288 276 I C 0.895 176.968 176.117 -0.074 0.000 1.192 276 I CA 0.320 61.644 61.300 0.041 0.000 1.426 276 I CB -0.287 37.755 38.000 0.069 0.000 1.367 276 I HN 0.242 nan 8.210 nan 0.000 0.563 277 L N 6.937 128.019 121.223 -0.235 0.000 2.466 277 L HA 0.186 4.527 4.340 0.001 0.000 0.257 277 L C 1.027 177.527 176.870 -0.616 0.000 1.189 277 L CA -0.619 53.872 54.840 -0.582 0.000 0.813 277 L CB 0.157 41.566 42.059 -1.082 0.000 1.118 277 L HN 0.474 nan 8.230 nan 0.000 0.471 278 K N 1.965 122.078 120.400 -0.479 0.000 2.449 278 K HA 0.078 4.398 4.320 0.001 0.000 0.237 278 K C -1.014 175.398 176.600 -0.312 0.000 1.265 278 K CA -0.068 56.038 56.287 -0.301 0.000 1.193 278 K CB -0.267 32.114 32.500 -0.198 0.000 1.515 278 K HN 0.303 nan 8.250 nan 0.000 0.259 279 W N 1.285 122.507 121.300 -0.130 0.000 2.223 279 W HA 0.039 4.700 4.660 0.001 0.000 0.334 279 W C 0.274 176.545 176.519 -0.413 0.000 1.334 279 W CA -0.774 56.451 57.345 -0.199 0.000 1.246 279 W CB 0.464 29.864 29.460 -0.100 0.000 1.184 279 W HN 0.012 nan 8.180 nan 0.000 0.563 280 V N 4.554 124.274 119.914 -0.323 0.000 2.347 280 V HA 0.173 4.294 4.120 0.001 0.000 0.280 280 V C 0.137 175.855 176.094 -0.627 0.000 1.021 280 V CA -1.409 60.514 62.300 -0.629 0.000 0.847 280 V CB 1.110 32.249 31.823 -1.140 0.000 0.990 280 V HN 0.409 nan 8.190 nan 0.000 0.444 281 K N 4.562 124.607 120.400 -0.592 0.000 2.333 281 K HA 0.179 4.500 4.320 0.001 0.000 0.241 281 K C 0.928 177.358 176.600 -0.282 0.000 1.193 281 K CA -0.306 55.598 56.287 -0.639 0.000 1.142 281 K CB 0.561 32.534 32.500 -0.878 0.000 1.731 281 K HN 0.540 nan 8.250 nan 0.000 0.344 282 L N 1.773 122.871 121.223 -0.207 0.000 1.989 282 L HA -0.105 4.235 4.340 0.001 0.000 0.211 282 L C 0.494 177.294 176.870 -0.117 0.000 1.071 282 L CA 1.843 56.594 54.840 -0.147 0.000 0.749 282 L CB 0.209 42.172 42.059 -0.160 0.000 0.890 282 L HN 0.394 nan 8.230 nan 0.000 0.431 283 I N 0.551 121.041 120.570 -0.133 0.000 2.420 283 I HA 0.211 4.381 4.170 0.001 0.000 0.282 283 I C -0.768 175.299 176.117 -0.083 0.000 1.019 283 I CA -0.249 60.942 61.300 -0.182 0.000 1.130 283 I CB 0.836 38.554 38.000 -0.470 0.000 1.262 283 I HN 0.093 nan 8.210 nan 0.000 0.454 284 D N 5.755 126.120 120.400 -0.059 0.000 3.123 284 D HA 0.251 4.891 4.640 0.001 0.000 0.305 284 D C -0.351 175.863 176.300 -0.144 0.000 1.373 284 D CA -0.094 53.898 54.000 -0.012 0.000 0.889 284 D CB 0.268 41.078 40.800 0.015 0.000 1.070 284 D HN 0.710 nan 8.370 nan 0.000 0.494 285 N N -2.109 116.422 118.700 -0.281 0.000 3.179 285 N HA 0.287 5.027 4.740 0.001 0.000 0.250 285 N C -1.171 174.064 175.510 -0.457 0.000 1.507 285 N CA -0.770 52.084 53.050 -0.326 0.000 0.883 285 N CB 0.226 38.658 38.487 -0.091 0.000 1.435 285 N HN -0.188 nan 8.380 nan 0.000 0.532 286 F N -0.305 119.603 119.950 -0.070 0.000 2.923 286 F HA 0.427 4.955 4.527 0.001 0.000 0.314 286 F C 0.918 176.700 175.800 -0.031 0.000 1.196 286 F CA -0.449 57.498 58.000 -0.088 0.000 1.320 286 F CB 0.208 39.132 39.000 -0.127 0.000 0.953 286 F HN 0.584 nan 8.300 nan 0.000 0.505 287 E N 0.114 120.387 120.200 0.122 0.000 2.371 287 E HA 0.230 4.580 4.350 0.001 0.000 0.194 287 E C 1.276 177.897 176.600 0.035 0.000 1.012 287 E CA 0.273 56.718 56.400 0.075 0.000 0.860 287 E CB 0.379 30.115 29.700 0.060 0.000 0.811 287 E HN 0.389 nan 8.360 nan 0.000 0.502 288 G N 0.740 109.590 108.800 0.083 0.000 2.677 288 G HA2 0.222 4.182 3.960 0.001 0.000 0.291 288 G HA3 0.222 4.182 3.960 0.001 0.000 0.291 288 G C -1.766 173.038 174.900 -0.160 0.000 1.435 288 G CA -0.748 44.297 45.100 -0.091 0.000 0.826 288 G HN 0.014 nan 8.290 nan 0.000 0.491 289 E N -0.376 119.624 120.200 -0.333 0.000 2.249 289 E HA 0.504 4.855 4.350 0.001 0.000 0.280 289 E C -1.449 174.757 176.600 -0.657 0.000 1.016 289 E CA -0.609 55.639 56.400 -0.253 0.000 0.830 289 E CB 1.000 30.680 29.700 -0.033 0.000 1.081 289 E HN 0.389 nan 8.360 nan 0.000 0.395 290 Y N 2.663 122.948 120.300 -0.026 0.000 2.402 290 Y HA 0.200 4.750 4.550 0.001 0.000 0.325 290 Y C -0.768 175.225 175.900 0.155 0.000 1.009 290 Y CA -1.153 56.890 58.100 -0.096 0.000 1.278 290 Y CB 1.412 39.542 38.460 -0.550 0.000 1.105 290 Y HN 0.510 nan 8.280 nan 0.000 0.476 291 D N 2.300 122.937 120.400 0.395 0.000 2.392 291 D HA 0.101 4.742 4.640 0.001 0.000 0.228 291 D C -0.910 175.704 176.300 0.524 0.000 1.074 291 D CA -0.608 53.626 54.000 0.389 0.000 0.838 291 D CB 0.478 41.408 40.800 0.217 0.000 1.067 291 D HN 0.387 nan 8.370 nan 0.000 0.511 292 Y N 4.082 124.626 120.300 0.407 0.000 2.632 292 Y HA 0.128 4.678 4.550 0.001 0.000 0.329 292 Y C 0.353 176.278 175.900 0.041 0.000 1.174 292 Y CA 0.284 58.469 58.100 0.143 0.000 1.469 292 Y CB 0.684 39.255 38.460 0.184 0.000 1.242 292 Y HN 0.305 nan 8.280 nan 0.000 0.540 293 V N 3.848 123.347 119.914 -0.691 0.000 2.599 293 V HA 0.159 4.279 4.120 0.001 0.000 0.237 293 V C 0.624 176.121 176.094 -0.996 0.000 1.081 293 V CA 1.266 63.205 62.300 -0.603 0.000 1.107 293 V CB 0.285 31.921 31.823 -0.312 0.000 0.808 293 V HN 0.823 nan 8.190 nan 0.000 0.486 294 T N 0.188 114.054 114.554 -1.147 0.000 2.718 294 T HA 0.387 4.737 4.350 0.001 0.000 0.306 294 T C -2.208 172.086 174.700 -0.677 0.000 1.485 294 T CA -0.575 61.023 62.100 -0.836 0.000 0.997 294 T CB 1.713 70.359 68.868 -0.370 0.000 1.504 294 T HN 0.539 nan 8.240 nan 0.000 0.497 295 N N 1.076 119.475 118.700 -0.502 0.000 2.416 295 N HA 0.453 5.194 4.740 0.001 0.000 0.276 295 N C -1.772 173.476 175.510 -0.437 0.000 1.261 295 N CA -0.718 51.870 53.050 -0.770 0.000 0.790 295 N CB 2.205 39.595 38.487 -1.828 0.000 1.554 295 N HN 0.483 nan 8.380 nan 0.000 0.481 296 E N 0.478 120.448 120.200 -0.384 0.000 2.325 296 E HA 0.378 4.728 4.350 0.001 0.000 0.248 296 E C 0.717 177.213 176.600 -0.173 0.000 0.912 296 E CA -0.247 56.030 56.400 -0.205 0.000 0.782 296 E CB 1.078 30.694 29.700 -0.141 0.000 1.264 296 E HN 0.975 nan 8.360 nan 0.000 0.417 297 G N 3.246 111.980 108.800 -0.109 0.000 2.622 297 G HA2 -0.429 3.532 3.960 0.001 0.000 0.307 297 G HA3 -0.429 3.532 3.960 0.001 0.000 0.307 297 G C 0.973 175.844 174.900 -0.049 0.000 1.226 297 G CA 0.912 46.002 45.100 -0.018 0.000 0.997 297 G HN 0.560 nan 8.290 nan 0.000 0.551 298 T N -1.410 113.142 114.554 -0.004 0.000 3.148 298 T HA 0.424 4.774 4.350 0.001 0.000 0.253 298 T C 0.824 175.454 174.700 -0.117 0.000 1.134 298 T CA 0.980 63.058 62.100 -0.037 0.000 1.051 298 T CB 0.149 69.065 68.868 0.080 0.000 0.959 298 T HN 0.979 nan 8.240 nan 0.000 0.525 299 V N 2.565 122.389 119.914 -0.150 0.000 2.368 299 V HA 0.426 4.546 4.120 0.001 0.000 0.266 299 V C -0.672 175.242 176.094 -0.300 0.000 1.045 299 V CA -0.877 61.346 62.300 -0.128 0.000 0.899 299 V CB -0.355 31.418 31.823 -0.084 0.000 1.006 299 V HN 0.328 nan 8.190 nan 0.000 0.470 300 F N 2.490 122.197 119.950 -0.404 0.000 2.427 300 F HA 0.448 4.975 4.527 0.001 0.000 0.346 300 F C 0.919 176.468 175.800 -0.419 0.000 1.120 300 F CA -0.353 57.358 58.000 -0.482 0.000 1.033 300 F CB 1.805 40.441 39.000 -0.606 0.000 1.126 300 F HN 0.329 nan 8.300 nan 0.000 0.462 301 T N 5.079 119.391 114.554 -0.403 0.000 2.743 301 T HA 0.485 4.836 4.350 0.001 0.000 0.293 301 T C -0.784 173.653 174.700 -0.438 0.000 0.945 301 T CA -0.130 61.793 62.100 -0.296 0.000 1.030 301 T CB 0.003 68.718 68.868 -0.254 0.000 0.912 301 T HN 0.152 nan 8.240 nan 0.000 0.483 302 F N 1.817 121.787 119.950 0.033 0.000 2.532 302 F HA 0.468 4.995 4.527 0.001 0.000 0.321 302 F C 0.472 176.296 175.800 0.040 0.000 1.089 302 F CA -1.283 56.763 58.000 0.078 0.000 0.926 302 F CB 1.766 40.862 39.000 0.159 0.000 1.168 302 F HN 0.297 nan 8.300 nan 0.000 0.459 303 K N 1.667 122.206 120.400 0.231 0.000 2.339 303 K HA 0.429 4.750 4.320 0.001 0.000 0.286 303 K C -0.551 176.150 176.600 0.168 0.000 1.050 303 K CA 0.115 56.500 56.287 0.164 0.000 0.956 303 K CB 0.899 33.461 32.500 0.103 0.000 0.990 303 K HN 0.771 nan 8.250 nan 0.000 0.475 304 T N 1.928 116.549 114.554 0.112 0.000 2.896 304 T HA 0.270 4.620 4.350 0.001 0.000 0.297 304 T C -0.305 174.315 174.700 -0.133 0.000 1.108 304 T CA -0.876 61.170 62.100 -0.090 0.000 1.004 304 T CB 0.804 69.544 68.868 -0.213 0.000 1.159 304 T HN 0.785 nan 8.240 nan 0.000 0.499 305 N N 1.245 119.715 118.700 -0.382 0.000 2.204 305 N HA 0.150 4.890 4.740 0.001 0.000 0.219 305 N C 0.123 175.425 175.510 -0.346 0.000 1.151 305 N CA -0.531 52.164 53.050 -0.593 0.000 0.867 305 N CB -0.035 37.856 38.487 -0.994 0.000 1.043 305 N HN 0.299 nan 8.380 nan 0.000 0.516 306 R N 1.779 122.123 120.500 -0.260 0.000 2.446 306 R HA -0.004 4.336 4.340 0.001 0.000 0.325 306 R C -0.203 176.071 176.300 -0.044 0.000 0.997 306 R CA 0.308 56.314 56.100 -0.157 0.000 1.010 306 R CB -1.296 29.044 30.300 0.068 0.000 0.946 306 R HN 0.280 nan 8.270 nan 0.000 0.422 307 H N 1.463 120.521 119.070 -0.019 0.000 2.776 307 H HA -0.185 4.371 4.556 0.001 0.000 0.300 307 H C -0.857 174.457 175.328 -0.024 0.000 1.161 307 H CA 1.426 57.466 56.048 -0.013 0.000 1.147 307 H CB -1.688 28.081 29.762 0.010 0.000 1.366 307 H HN 0.617 nan 8.280 nan 0.000 0.397 308 S N -1.430 114.255 115.700 -0.026 0.000 2.488 308 S HA 0.262 4.733 4.470 0.001 0.000 0.151 308 S C -1.793 172.706 174.600 -0.168 0.000 1.401 308 S CA -0.902 57.272 58.200 -0.042 0.000 1.221 308 S CB 2.530 65.721 63.200 -0.014 0.000 1.407 308 S HN -0.089 nan 8.310 nan 0.000 0.406 309 P HA -0.005 nan 4.420 nan 0.000 0.226 309 P C 0.353 177.617 177.300 -0.059 0.000 1.153 309 P CA 0.822 63.840 63.100 -0.136 0.000 0.777 309 P CB -0.019 31.674 31.700 -0.013 0.000 0.794 310 N N -1.426 117.307 118.700 0.056 0.000 2.336 310 N HA 0.032 4.773 4.740 0.001 0.000 0.189 310 N C -0.274 175.460 175.510 0.374 0.000 1.113 310 N CA 0.010 53.205 53.050 0.242 0.000 0.858 310 N CB -0.413 38.214 38.487 0.233 0.000 0.970 310 N HN 0.112 nan 8.380 nan 0.000 0.471 311 Y N -0.237 120.098 120.300 0.059 0.000 2.517 311 Y HA -0.315 4.235 4.550 0.001 0.000 0.021 311 Y C 0.541 176.468 175.900 0.046 0.000 1.713 311 Y CA -0.182 57.934 58.100 0.026 0.000 1.412 311 Y CB -0.502 37.948 38.460 -0.016 0.000 2.058 311 Y HN 0.223 nan 8.280 nan 0.000 0.255 312 R N 0.509 121.111 120.500 0.170 0.000 2.733 312 R HA 0.882 5.223 4.340 0.001 0.000 0.272 312 R C -2.225 174.135 176.300 0.100 0.000 1.029 312 R CA -1.331 54.844 56.100 0.124 0.000 0.888 312 R CB 1.457 31.828 30.300 0.117 0.000 1.251 312 R HN 0.520 nan 8.270 nan 0.000 0.464 313 L N 2.501 123.770 121.223 0.076 0.000 2.307 313 L HA 0.608 4.949 4.340 0.001 0.000 0.284 313 L C -0.027 176.905 176.870 0.104 0.000 1.023 313 L CA -1.017 53.865 54.840 0.069 0.000 0.810 313 L CB 1.504 43.568 42.059 0.009 0.000 1.231 313 L HN 0.582 nan 8.230 nan 0.000 0.423 314 I N -0.445 120.207 120.570 0.136 0.000 2.740 314 I HA 0.588 4.759 4.170 0.001 0.000 0.303 314 I C -0.908 175.284 176.117 0.126 0.000 1.044 314 I CA -0.863 60.532 61.300 0.158 0.000 1.064 314 I CB 2.181 40.304 38.000 0.205 0.000 1.249 314 I HN 0.372 nan 8.210 nan 0.000 0.433 315 N N 4.943 123.710 118.700 0.112 0.000 2.424 315 N HA 0.581 5.322 4.740 0.001 0.000 0.271 315 N C -1.057 174.495 175.510 0.070 0.000 0.985 315 N CA -0.279 52.816 53.050 0.076 0.000 0.921 315 N CB 2.119 40.640 38.487 0.057 0.000 1.149 315 N HN 0.577 nan 8.380 nan 0.000 0.492 316 I N 0.822 121.423 120.570 0.052 0.000 2.339 316 I HA 0.165 4.336 4.170 0.001 0.000 0.290 316 I C -0.011 176.205 176.117 0.165 0.000 0.994 316 I CA -0.783 60.512 61.300 -0.009 0.000 1.191 316 I CB 1.423 39.316 38.000 -0.179 0.000 1.343 316 I HN 0.238 nan 8.210 nan 0.000 0.458 317 D N 6.087 126.610 120.400 0.205 0.000 2.313 317 D HA 0.138 4.778 4.640 0.001 0.000 0.239 317 D C 0.778 177.264 176.300 0.311 0.000 1.142 317 D CA -0.244 53.868 54.000 0.186 0.000 0.847 317 D CB 0.861 41.757 40.800 0.160 0.000 1.082 317 D HN 0.236 nan 8.370 nan 0.000 0.480 318 F N 1.521 121.491 119.950 0.035 0.000 2.333 318 F HA -0.125 4.403 4.527 0.001 0.000 0.300 318 F C 2.537 178.388 175.800 0.085 0.000 1.083 318 F CA 1.115 59.103 58.000 -0.019 0.000 1.395 318 F CB -1.260 37.580 39.000 -0.267 0.000 1.056 318 F HN 0.439 nan 8.300 nan 0.000 0.529 319 T N -3.856 110.864 114.554 0.277 0.000 3.129 319 T HA 0.022 4.372 4.350 0.001 0.000 0.251 319 T C 0.342 175.144 174.700 0.170 0.000 1.117 319 T CA 0.537 62.758 62.100 0.201 0.000 1.034 319 T CB -0.054 68.909 68.868 0.158 0.000 0.968 319 T HN 0.031 nan 8.240 nan 0.000 0.526 320 D N 1.308 121.824 120.400 0.194 0.000 2.978 320 D HA 0.267 4.907 4.640 0.001 0.000 0.268 320 D C -2.249 174.193 176.300 0.237 0.000 1.252 320 D CA -1.524 52.582 54.000 0.176 0.000 0.771 320 D CB 1.305 42.196 40.800 0.152 0.000 1.361 320 D HN 0.066 nan 8.370 nan 0.000 0.558 321 P HA 0.077 nan 4.420 nan 0.000 0.255 321 P C -0.097 177.439 177.300 0.395 0.000 1.248 321 P CA 0.028 63.338 63.100 0.350 0.000 0.807 321 P CB 0.428 32.278 31.700 0.249 0.000 1.150 322 E N 0.975 121.289 120.200 0.190 0.000 2.442 322 E HA -0.091 4.259 4.350 0.001 0.000 0.262 322 E C 1.133 177.595 176.600 -0.230 0.000 1.004 322 E CA 0.073 56.487 56.400 0.023 0.000 0.928 322 E CB 0.681 30.372 29.700 -0.015 0.000 0.937 322 E HN 0.214 nan 8.360 nan 0.000 0.446 323 E N 1.898 121.731 120.200 -0.612 0.000 2.118 323 E HA -0.225 4.125 4.350 0.001 0.000 0.195 323 E C 1.757 177.851 176.600 -0.843 0.000 0.992 323 E CA 1.421 56.913 56.400 -1.512 0.000 0.804 323 E CB 0.084 29.059 29.700 -1.208 0.000 0.741 323 E HN 0.556 nan 8.360 nan 0.000 0.458 324 S N -0.123 115.343 115.700 -0.390 0.000 2.469 324 S HA -0.077 4.393 4.470 0.001 0.000 0.238 324 S C 1.506 176.057 174.600 -0.081 0.000 0.998 324 S CA 0.634 58.720 58.200 -0.189 0.000 0.957 324 S CB 0.004 63.135 63.200 -0.115 0.000 0.764 324 S HN 0.093 nan 8.310 nan 0.000 0.514 325 K N -0.041 120.332 120.400 -0.046 0.000 2.367 325 K HA 0.185 4.506 4.320 0.001 0.000 0.194 325 K C -0.189 176.577 176.600 0.275 0.000 1.027 325 K CA -0.263 56.092 56.287 0.112 0.000 1.075 325 K CB -0.239 32.347 32.500 0.145 0.000 0.845 325 K HN 0.458 nan 8.250 nan 0.000 0.529 326 W N 2.916 124.272 121.300 0.093 0.000 2.193 326 W HA 0.050 4.711 4.660 0.001 0.000 0.338 326 W C 0.703 177.283 176.519 0.102 0.000 1.310 326 W CA -0.699 56.716 57.345 0.117 0.000 1.243 326 W CB 0.077 29.622 29.460 0.142 0.000 1.165 326 W HN -0.281 nan 8.180 nan 0.000 0.566 327 K N 2.221 122.810 120.400 0.313 0.000 2.156 327 K HA 0.364 4.685 4.320 0.001 0.000 0.271 327 K C -0.618 176.099 176.600 0.195 0.000 0.995 327 K CA -1.055 55.355 56.287 0.204 0.000 0.890 327 K CB 1.448 34.034 32.500 0.143 0.000 1.073 327 K HN 0.124 nan 8.250 nan 0.000 0.454 328 V N 5.192 125.204 119.914 0.163 0.000 2.339 328 V HA 0.022 4.143 4.120 0.001 0.000 0.261 328 V C 1.477 177.637 176.094 0.108 0.000 1.058 328 V CA -0.258 62.130 62.300 0.146 0.000 0.897 328 V CB 0.516 32.420 31.823 0.134 0.000 1.052 328 V HN 0.615 nan 8.190 nan 0.000 0.480 329 L N 6.318 127.599 121.223 0.097 0.000 2.044 329 L HA 0.157 4.497 4.340 0.001 0.000 0.205 329 L C 0.809 177.721 176.870 0.070 0.000 1.075 329 L CA 1.922 56.805 54.840 0.072 0.000 0.747 329 L CB 0.442 42.531 42.059 0.049 0.000 0.903 329 L HN 0.429 nan 8.230 nan 0.000 0.435 330 V N 1.152 121.104 119.914 0.064 0.000 2.357 330 V HA 0.380 4.500 4.120 0.001 0.000 0.281 330 V C -2.280 173.870 176.094 0.093 0.000 1.015 330 V CA -1.535 60.804 62.300 0.066 0.000 0.827 330 V CB 0.964 32.786 31.823 -0.003 0.000 1.018 330 V HN 0.087 nan 8.190 nan 0.000 0.432 331 P HA 0.071 nan 4.420 nan 0.000 0.271 331 P C 0.060 177.439 177.300 0.132 0.000 1.233 331 P CA -0.120 63.043 63.100 0.105 0.000 0.789 331 P CB 0.661 32.411 31.700 0.083 0.000 0.951 332 E N 1.247 121.522 120.200 0.125 0.000 2.413 332 E HA -0.065 4.286 4.350 0.001 0.000 0.263 332 E C -0.168 176.527 176.600 0.159 0.000 1.015 332 E CA -0.067 56.426 56.400 0.154 0.000 0.916 332 E CB 0.289 30.055 29.700 0.110 0.000 0.947 332 E HN 0.451 nan 8.360 nan 0.000 0.440 333 H N 3.126 122.264 119.070 0.112 0.000 2.505 333 H HA 0.002 4.559 4.556 0.001 0.000 0.351 333 H C 0.702 176.066 175.328 0.060 0.000 1.151 333 H CA 0.160 56.242 56.048 0.057 0.000 1.339 333 H CB 1.574 31.346 29.762 0.016 0.000 1.483 333 H HN 0.827 nan 8.280 nan 0.000 0.558 334 E N 2.802 122.787 120.200 -0.357 0.000 2.150 334 E HA -0.153 4.198 4.350 0.001 0.000 0.193 334 E C 1.086 177.718 176.600 0.054 0.000 0.985 334 E CA 1.195 57.506 56.400 -0.147 0.000 0.814 334 E CB 0.362 29.913 29.700 -0.247 0.000 0.752 334 E HN 0.598 nan 8.360 nan 0.000 0.466 335 K N -0.644 119.938 120.400 0.303 0.000 2.556 335 K HA 0.056 4.376 4.320 0.001 0.000 0.201 335 K C -0.547 176.260 176.600 0.345 0.000 1.423 335 K CA -0.082 56.386 56.287 0.303 0.000 1.010 335 K CB 0.725 33.351 32.500 0.211 0.000 1.409 335 K HN -0.056 nan 8.250 nan 0.000 0.538 336 D N 1.679 122.320 120.400 0.402 0.000 2.351 336 D HA 0.084 4.725 4.640 0.001 0.000 0.251 336 D C -0.640 175.810 176.300 0.251 0.000 1.137 336 D CA -0.004 54.065 54.000 0.115 0.000 0.879 336 D CB 1.728 42.323 40.800 -0.342 0.000 1.181 336 D HN -0.161 nan 8.370 nan 0.000 0.448 337 V N 3.140 123.178 119.914 0.207 0.000 2.432 337 V HA 0.057 4.177 4.120 0.001 0.000 0.275 337 V C 0.285 176.445 176.094 0.109 0.000 1.043 337 V CA -0.827 61.583 62.300 0.183 0.000 0.925 337 V CB 1.327 33.192 31.823 0.070 0.000 0.985 337 V HN 0.340 nan 8.190 nan 0.000 0.466 338 L N 5.613 126.845 121.223 0.015 0.000 2.433 338 L HA 0.252 4.593 4.340 0.001 0.000 0.284 338 L C 1.219 177.836 176.870 -0.422 0.000 1.120 338 L CA 0.787 55.357 54.840 -0.449 0.000 0.879 338 L CB -0.060 41.775 42.059 -0.375 0.000 1.232 338 L HN 0.710 nan 8.230 nan 0.000 0.454 339 E N 5.326 125.248 120.200 -0.463 0.000 2.051 339 E HA 0.001 4.351 4.350 0.001 0.000 0.189 339 E C -0.508 175.979 176.600 -0.189 0.000 0.979 339 E CA 1.152 57.357 56.400 -0.326 0.000 0.803 339 E CB 0.202 29.775 29.700 -0.212 0.000 0.761 339 E HN 0.749 nan 8.360 nan 0.000 0.451 340 W N -1.258 119.863 121.300 -0.298 0.000 3.059 340 W HA 0.561 5.221 4.660 0.001 0.000 0.329 340 W C -1.715 174.639 176.519 -0.275 0.000 1.246 340 W CA -0.808 56.388 57.345 -0.248 0.000 1.190 340 W CB 0.657 30.002 29.460 -0.191 0.000 1.423 340 W HN -0.392 nan 8.180 nan 0.000 0.571 341 V N 1.252 121.253 119.914 0.145 0.000 2.808 341 V HA 0.813 4.934 4.120 0.001 0.000 0.308 341 V C -0.349 175.814 176.094 0.116 0.000 1.099 341 V CA -0.685 61.611 62.300 -0.008 0.000 0.920 341 V CB 1.139 32.894 31.823 -0.113 0.000 1.014 341 V HN 0.916 nan 8.190 nan 0.000 0.425 342 A N 2.161 125.022 122.820 0.070 0.000 2.413 342 A HA 0.819 5.139 4.320 0.001 0.000 0.307 342 A C -0.784 176.851 177.584 0.085 0.000 1.087 342 A CA -0.505 51.579 52.037 0.078 0.000 0.750 342 A CB 1.805 20.836 19.000 0.051 0.000 1.296 342 A HN 1.103 nan 8.150 nan 0.000 0.423 343 C N 1.806 121.159 119.300 0.088 0.000 2.329 343 C HA 0.821 5.281 4.460 0.001 0.000 0.329 343 C C -0.355 174.738 174.990 0.172 0.000 1.275 343 C CA -0.132 58.941 59.018 0.092 0.000 1.726 343 C CB -0.035 27.698 27.740 -0.010 0.000 2.291 343 C HN 1.079 nan 8.230 nan 0.000 0.514 344 V N 6.907 126.950 119.914 0.215 0.000 3.049 344 V HA 0.673 4.793 4.120 0.001 0.000 0.309 344 V C 0.272 176.481 176.094 0.191 0.000 1.148 344 V CA -0.545 61.897 62.300 0.237 0.000 0.990 344 V CB 1.754 33.777 31.823 0.333 0.000 1.039 344 V HN 1.053 nan 8.190 nan 0.000 0.430 345 R N 3.742 124.318 120.500 0.126 0.000 3.333 345 R HA -0.209 4.131 4.340 0.001 0.000 0.256 345 R C 0.913 177.155 176.300 -0.097 0.000 1.010 345 R CA 0.890 57.006 56.100 0.027 0.000 0.680 345 R CB -1.455 28.882 30.300 0.061 0.000 1.102 345 R HN 1.400 nan 8.270 nan 0.000 0.440 346 S N -1.602 114.074 115.700 -0.040 0.000 1.637 346 S HA -0.326 4.144 4.470 0.001 0.000 0.232 346 S C 0.625 175.174 174.600 -0.085 0.000 0.808 346 S CA 2.059 60.220 58.200 -0.064 0.000 1.437 346 S CB -0.948 62.199 63.200 -0.088 0.000 1.838 346 S HN 0.871 nan 8.310 nan 0.000 0.525 347 N N 0.886 119.481 118.700 -0.174 0.000 2.299 347 N HA 0.356 5.096 4.740 0.001 0.000 0.246 347 N C -0.849 174.622 175.510 -0.066 0.000 1.254 347 N CA -0.177 52.788 53.050 -0.140 0.000 0.879 347 N CB -0.120 38.267 38.487 -0.166 0.000 1.214 347 N HN 0.389 nan 8.380 nan 0.000 0.510 348 F N 0.802 120.778 119.950 0.043 0.000 2.470 348 F HA 0.600 5.128 4.527 0.001 0.000 0.329 348 F C 0.350 176.189 175.800 0.065 0.000 1.072 348 F CA -1.316 56.723 58.000 0.065 0.000 0.989 348 F CB 1.427 40.485 39.000 0.096 0.000 1.193 348 F HN -0.195 nan 8.300 nan 0.000 0.481 349 L N 2.454 123.850 121.223 0.289 0.000 2.365 349 L HA 0.632 4.972 4.340 0.001 0.000 0.273 349 L C -0.991 175.958 176.870 0.132 0.000 1.000 349 L CA -1.034 53.896 54.840 0.150 0.000 0.819 349 L CB 2.043 44.138 42.059 0.060 0.000 1.284 349 L HN 0.181 nan 8.230 nan 0.000 0.418 350 V N 4.619 124.581 119.914 0.081 0.000 2.370 350 V HA 0.403 4.523 4.120 0.001 0.000 0.279 350 V C 0.037 176.005 176.094 -0.211 0.000 1.029 350 V CA -0.359 61.951 62.300 0.016 0.000 0.870 350 V CB 1.580 33.440 31.823 0.062 0.000 0.984 350 V HN 0.474 nan 8.190 nan 0.000 0.451 351 L N 4.716 125.775 121.223 -0.274 0.000 2.313 351 L HA 0.518 4.858 4.340 0.001 0.000 0.283 351 L C -0.385 176.075 176.870 -0.685 0.000 1.013 351 L CA -0.263 54.262 54.840 -0.526 0.000 0.816 351 L CB 1.771 43.548 42.059 -0.470 0.000 1.236 351 L HN 0.687 nan 8.230 nan 0.000 0.419 352 C N 4.099 122.720 119.300 -1.131 0.000 2.281 352 C HA 0.569 5.029 4.460 0.001 0.000 0.323 352 C C -0.235 174.285 174.990 -0.784 0.000 1.270 352 C CA -0.403 57.986 59.018 -1.048 0.000 1.559 352 C CB -0.245 26.342 27.740 -1.921 0.000 2.239 352 C HN 0.624 nan 8.230 nan 0.000 0.488 353 Y N 3.730 123.819 120.300 -0.352 0.000 2.453 353 Y HA 0.663 5.214 4.550 0.001 0.000 0.326 353 Y C 0.030 175.841 175.900 -0.149 0.000 1.186 353 Y CA -0.711 57.252 58.100 -0.229 0.000 1.200 353 Y CB 1.259 39.605 38.460 -0.190 0.000 1.247 353 Y HN 0.543 nan 8.280 nan 0.000 0.482 354 L N 2.538 123.805 121.223 0.073 0.000 2.298 354 L HA 0.354 4.695 4.340 0.001 0.000 0.284 354 L C -1.363 175.546 176.870 0.064 0.000 1.013 354 L CA -0.413 54.448 54.840 0.035 0.000 0.824 354 L CB 0.369 42.400 42.059 -0.047 0.000 1.221 354 L HN 0.659 nan 8.230 nan 0.000 0.418 355 H N 4.255 123.319 119.070 -0.011 0.000 2.638 355 H HA 0.347 4.904 4.556 0.001 0.000 0.317 355 H C -0.565 174.785 175.328 0.037 0.000 1.006 355 H CA -0.406 55.637 56.048 -0.009 0.000 1.222 355 H CB 0.532 30.278 29.762 -0.028 0.000 1.419 355 H HN 0.677 nan 8.280 nan 0.000 0.489 356 D N 4.644 124.844 120.400 -0.333 0.000 2.692 356 D HA -0.183 4.458 4.640 0.001 0.000 0.233 356 D C 0.317 176.583 176.300 -0.057 0.000 1.172 356 D CA 1.265 55.179 54.000 -0.142 0.000 0.636 356 D CB -1.134 39.624 40.800 -0.070 0.000 1.028 356 D HN 0.616 nan 8.370 nan 0.000 0.419 357 V N -2.872 116.970 119.914 -0.120 0.000 4.294 357 V HA -0.354 3.766 4.120 0.001 0.000 0.246 357 V C 0.589 176.820 176.094 0.228 0.000 0.416 357 V CA 1.832 64.146 62.300 0.024 0.000 0.887 357 V CB -1.970 29.863 31.823 0.016 0.000 0.922 357 V HN 0.507 nan 8.190 nan 0.000 1.323 358 K N 0.223 120.729 120.400 0.175 0.000 2.371 358 K HA 0.618 4.939 4.320 0.001 0.000 0.251 358 K C -0.238 176.456 176.600 0.155 0.000 0.934 358 K CA -0.709 55.698 56.287 0.200 0.000 0.798 358 K CB 2.025 34.678 32.500 0.256 0.000 1.204 358 K HN 0.353 nan 8.250 nan 0.000 0.427 359 N N 0.643 119.432 118.700 0.148 0.000 2.530 359 N HA 0.247 4.988 4.740 0.001 0.000 0.277 359 N C -0.753 174.826 175.510 0.115 0.000 1.168 359 N CA -0.127 52.995 53.050 0.119 0.000 0.979 359 N CB 1.025 39.589 38.487 0.129 0.000 1.141 359 N HN 0.583 nan 8.380 nan 0.000 0.459 360 T N -0.798 113.791 114.554 0.058 0.000 2.916 360 T HA 0.544 4.894 4.350 0.001 0.000 0.292 360 T C -1.056 173.626 174.700 -0.031 0.000 1.055 360 T CA -0.894 61.218 62.100 0.019 0.000 1.009 360 T CB 1.329 70.192 68.868 -0.008 0.000 1.118 360 T HN 0.157 nan 8.240 nan 0.000 0.497 361 L N 1.589 122.786 121.223 -0.044 0.000 2.438 361 L HA 0.524 4.864 4.340 0.001 0.000 0.270 361 L C -1.185 175.685 176.870 -0.000 0.000 0.972 361 L CA -0.414 54.383 54.840 -0.071 0.000 0.831 361 L CB 1.851 43.824 42.059 -0.144 0.000 1.273 361 L HN 0.964 nan 8.230 nan 0.000 0.405 362 Q N 3.560 123.361 119.800 0.002 0.000 2.397 362 Q HA 0.499 4.840 4.340 0.001 0.000 0.275 362 Q C -1.455 174.555 176.000 0.016 0.000 1.090 362 Q CA -0.933 54.839 55.803 -0.052 0.000 0.809 362 Q CB 3.602 32.426 28.738 0.143 0.000 1.362 362 Q HN 0.466 nan 8.270 nan 0.000 0.431 363 L N 2.261 123.346 121.223 -0.230 0.000 2.282 363 L HA 0.408 4.748 4.340 0.001 0.000 0.288 363 L C -1.023 175.752 176.870 -0.158 0.000 1.033 363 L CA 0.062 54.813 54.840 -0.149 0.000 0.807 363 L CB 0.693 42.499 42.059 -0.422 0.000 1.209 363 L HN 0.600 nan 8.230 nan 0.000 0.423 364 H N 1.771 120.786 119.070 -0.091 0.000 2.731 364 H HA 0.254 4.811 4.556 0.001 0.000 0.368 364 H C -1.291 174.087 175.328 0.084 0.000 1.168 364 H CA -0.938 55.096 56.048 -0.024 0.000 1.181 364 H CB 2.158 31.919 29.762 -0.001 0.000 1.743 364 H HN 0.550 nan 8.280 nan 0.000 0.547 365 D N 1.265 121.785 120.400 0.199 0.000 2.351 365 D HA -0.032 4.608 4.640 0.001 0.000 0.251 365 D C 0.957 177.354 176.300 0.161 0.000 1.137 365 D CA -0.381 53.746 54.000 0.212 0.000 0.879 365 D CB 1.042 41.921 40.800 0.133 0.000 1.181 365 D HN 0.283 nan 8.370 nan 0.000 0.448 366 L N 4.830 126.131 121.223 0.131 0.000 2.083 366 L HA 0.002 4.342 4.340 0.001 0.000 0.209 366 L C 1.928 178.818 176.870 0.032 0.000 1.083 366 L CA 2.274 57.149 54.840 0.058 0.000 0.752 366 L CB -0.809 41.260 42.059 0.016 0.000 0.899 366 L HN 0.590 nan 8.230 nan 0.000 0.433 367 A N -1.563 121.276 122.820 0.032 0.000 1.929 367 A HA -0.132 4.188 4.320 0.001 0.000 0.216 367 A C 2.208 179.812 177.584 0.033 0.000 1.176 367 A CA 2.045 54.094 52.037 0.020 0.000 0.628 367 A CB -0.884 18.124 19.000 0.013 0.000 0.816 367 A HN 0.599 nan 8.150 nan 0.000 0.444 368 T N -6.287 108.297 114.554 0.050 0.000 2.971 368 T HA 0.430 4.780 4.350 0.001 0.000 0.252 368 T C 1.442 176.186 174.700 0.074 0.000 1.022 368 T CA 1.085 63.218 62.100 0.054 0.000 0.980 368 T CB 0.396 69.293 68.868 0.048 0.000 1.044 368 T HN 1.675 nan 8.240 nan 0.000 0.501 369 G N 1.776 110.635 108.800 0.098 0.000 2.179 369 G HA2 -0.080 3.880 3.960 0.001 0.000 0.260 369 G HA3 -0.080 3.880 3.960 0.001 0.000 0.260 369 G C 0.390 175.432 174.900 0.236 0.000 0.977 369 G CA 0.026 45.213 45.100 0.145 0.000 0.641 369 G HN 1.261 nan 8.290 nan 0.000 0.533 370 A N -0.090 122.808 122.820 0.130 0.000 2.462 370 A HA 0.617 4.937 4.320 0.001 0.000 0.243 370 A C 0.629 178.149 177.584 -0.107 0.000 1.076 370 A CA 0.315 52.382 52.037 0.051 0.000 0.773 370 A CB 0.519 19.522 19.000 0.005 0.000 1.010 370 A HN 1.637 nan 8.150 nan 0.000 0.493 371 L N 2.482 123.517 121.223 -0.314 0.000 2.462 371 L HA 0.242 4.582 4.340 0.001 0.000 0.272 371 L C 0.519 177.149 176.870 -0.401 0.000 1.166 371 L CA 0.601 55.013 54.840 -0.714 0.000 0.880 371 L CB 0.094 41.859 42.059 -0.490 0.000 1.142 371 L HN 0.714 nan 8.230 nan 0.000 0.473 372 L N 2.990 123.960 121.223 -0.422 0.000 2.467 372 L HA 0.365 4.706 4.340 0.001 0.000 0.213 372 L C 0.169 176.831 176.870 -0.347 0.000 1.053 372 L CA -0.027 54.632 54.840 -0.301 0.000 0.847 372 L CB -0.047 41.851 42.059 -0.267 0.000 1.075 372 L HN 0.600 nan 8.230 nan 0.000 0.479 373 K N 0.454 120.578 120.400 -0.460 0.000 2.557 373 K HA 0.467 4.788 4.320 0.001 0.000 0.257 373 K C -1.659 174.553 176.600 -0.647 0.000 0.933 373 K CA -0.233 55.731 56.287 -0.539 0.000 0.820 373 K CB 1.545 33.646 32.500 -0.666 0.000 1.330 373 K HN -0.059 nan 8.250 nan 0.000 0.432 374 I N 4.782 125.046 120.570 -0.511 0.000 2.331 374 I HA 0.363 4.534 4.170 0.001 0.000 0.292 374 I C -0.539 175.295 176.117 -0.471 0.000 0.998 374 I CA -0.776 60.264 61.300 -0.433 0.000 1.267 374 I CB 0.607 38.454 38.000 -0.254 0.000 1.386 374 I HN 0.468 nan 8.210 nan 0.000 0.476 375 F N 7.729 127.577 119.950 -0.170 0.000 2.390 375 F HA 0.336 4.864 4.527 0.001 0.000 0.361 375 F C -1.779 173.909 175.800 -0.187 0.000 1.124 375 F CA -2.674 55.218 58.000 -0.181 0.000 1.149 375 F CB -0.011 38.834 39.000 -0.257 0.000 1.160 375 F HN 0.244 nan 8.300 nan 0.000 0.501 376 P HA 0.350 nan 4.420 nan 0.000 0.275 376 P C -0.876 176.339 177.300 -0.142 0.000 1.227 376 P CA -0.126 62.927 63.100 -0.078 0.000 0.781 376 P CB 1.662 33.318 31.700 -0.074 0.000 0.906 377 L N 1.461 122.604 121.223 -0.132 0.000 2.409 377 L HA 0.394 4.735 4.340 0.001 0.000 0.262 377 L C 0.745 177.498 176.870 -0.194 0.000 0.992 377 L CA -1.111 53.589 54.840 -0.234 0.000 0.817 377 L CB 2.151 44.150 42.059 -0.099 0.000 1.350 377 L HN 0.271 nan 8.230 nan 0.000 0.411 378 E N 0.905 120.880 120.200 -0.374 0.000 2.421 378 E HA 0.160 4.511 4.350 0.001 0.000 0.253 378 E C -0.458 176.250 176.600 0.180 0.000 1.277 378 E CA -0.387 55.955 56.400 -0.097 0.000 0.968 378 E CB 1.121 30.777 29.700 -0.073 0.000 1.040 378 E HN 0.371 nan 8.360 nan 0.000 0.512 379 V N -1.478 118.595 119.914 0.266 0.000 2.446 379 V HA 0.594 4.714 4.120 0.001 0.000 0.276 379 V C 0.608 176.916 176.094 0.357 0.000 1.030 379 V CA 0.728 63.205 62.300 0.294 0.000 1.033 379 V CB -0.128 31.837 31.823 0.236 0.000 0.993 379 V HN 0.794 nan 8.190 nan 0.000 0.477 380 G N 3.645 112.616 108.800 0.285 0.000 2.452 380 G HA2 0.445 4.406 3.960 0.001 0.000 0.224 380 G HA3 0.445 4.406 3.960 0.001 0.000 0.224 380 G C -0.833 174.028 174.900 -0.064 0.000 1.208 380 G CA -0.128 44.919 45.100 -0.087 0.000 0.946 380 G HN 0.964 nan 8.290 nan 0.000 0.481 381 S N -1.033 114.467 115.700 -0.334 0.000 2.536 381 S HA 0.648 5.118 4.470 0.001 0.000 0.287 381 S C -0.468 174.136 174.600 0.007 0.000 1.101 381 S CA -0.453 57.679 58.200 -0.112 0.000 0.950 381 S CB 1.980 65.082 63.200 -0.164 0.000 1.056 381 S HN 0.866 nan 8.310 nan 0.000 0.481 382 V N 3.486 123.522 119.914 0.203 0.000 2.385 382 V HA 0.207 4.327 4.120 0.001 0.000 0.269 382 V C 0.899 177.149 176.094 0.260 0.000 1.043 382 V CA -0.209 62.290 62.300 0.332 0.000 0.906 382 V CB 0.916 33.009 31.823 0.451 0.000 0.995 382 V HN 0.850 nan 8.190 nan 0.000 0.467 383 V N 1.805 121.843 119.914 0.208 0.000 3.477 383 V HA 0.738 4.858 4.120 0.001 0.000 0.297 383 V C 0.596 176.771 176.094 0.135 0.000 1.433 383 V CA 0.510 62.888 62.300 0.130 0.000 1.052 383 V CB 0.233 32.100 31.823 0.073 0.000 0.895 383 V HN 0.837 nan 8.190 nan 0.000 0.438 384 G N -0.546 108.381 108.800 0.212 0.000 2.720 384 G HA2 0.597 4.557 3.960 0.001 0.000 0.295 384 G HA3 0.597 4.557 3.960 0.001 0.000 0.295 384 G C -2.294 172.794 174.900 0.315 0.000 1.437 384 G CA -0.694 44.526 45.100 0.200 0.000 0.886 384 G HN 0.472 nan 8.290 nan 0.000 0.509 385 Y N 0.994 121.344 120.300 0.084 0.000 2.521 385 Y HA 0.681 5.231 4.550 0.001 0.000 0.332 385 Y C -0.645 175.336 175.900 0.135 0.000 1.121 385 Y CA -0.628 57.555 58.100 0.139 0.000 1.037 385 Y CB 2.064 40.478 38.460 -0.077 0.000 1.330 385 Y HN 1.108 nan 8.280 nan 0.000 0.452 386 S N 3.164 118.440 115.700 -0.708 0.000 2.549 386 S HA 0.944 5.415 4.470 0.001 0.000 0.280 386 S C -0.557 173.563 174.600 -0.799 0.000 1.109 386 S CA -0.413 57.455 58.200 -0.554 0.000 0.905 386 S CB 1.757 64.979 63.200 0.037 0.000 1.081 386 S HN 1.962 nan 8.310 nan 0.000 0.477 387 G N 2.462 111.100 108.800 -0.270 0.000 2.145 387 G HA2 0.264 4.225 3.960 0.001 0.000 0.174 387 G HA3 0.264 4.225 3.960 0.001 0.000 0.174 387 G C -0.947 174.105 174.900 0.252 0.000 1.726 387 G CA -0.551 44.578 45.100 0.048 0.000 1.080 387 G HN 0.978 nan 8.290 nan 0.000 0.606 388 Q N 1.581 121.496 119.800 0.192 0.000 2.166 388 Q HA 0.528 4.868 4.340 0.001 0.000 0.226 388 Q C 1.375 177.469 176.000 0.157 0.000 0.989 388 Q CA -0.759 55.157 55.803 0.189 0.000 0.966 388 Q CB 1.782 30.617 28.738 0.162 0.000 1.173 388 Q HN 0.302 nan 8.270 nan 0.000 0.509 389 K N 0.390 120.870 120.400 0.133 0.000 2.063 389 K HA -0.166 4.154 4.320 0.001 0.000 0.208 389 K C 1.483 178.131 176.600 0.079 0.000 1.048 389 K CA 1.678 58.024 56.287 0.098 0.000 0.928 389 K CB 0.116 32.663 32.500 0.078 0.000 0.713 389 K HN 0.488 nan 8.250 nan 0.000 0.442 390 K N 0.384 120.833 120.400 0.082 0.000 2.459 390 K HA 0.009 4.329 4.320 0.001 0.000 0.193 390 K C -0.228 176.407 176.600 0.057 0.000 1.030 390 K CA 0.158 56.481 56.287 0.060 0.000 1.026 390 K CB 0.240 32.773 32.500 0.055 0.000 0.809 390 K HN 0.194 nan 8.250 nan 0.000 0.504 391 D N 0.582 121.030 120.400 0.080 0.000 2.329 391 D HA 0.020 4.660 4.640 0.001 0.000 0.246 391 D C 0.951 177.311 176.300 0.099 0.000 1.111 391 D CA 0.311 54.364 54.000 0.088 0.000 0.941 391 D CB 1.614 42.485 40.800 0.119 0.000 1.169 391 D HN 0.077 nan 8.370 nan 0.000 0.441 392 T N -2.941 111.675 114.554 0.103 0.000 3.200 392 T HA 0.216 4.566 4.350 0.001 0.000 0.284 392 T C 0.182 174.944 174.700 0.103 0.000 1.009 392 T CA -0.505 61.656 62.100 0.101 0.000 0.907 392 T CB -0.007 68.906 68.868 0.075 0.000 1.120 392 T HN 0.552 nan 8.240 nan 0.000 0.534 393 E N 1.122 121.386 120.200 0.107 0.000 2.413 393 E HA 0.635 4.985 4.350 0.001 0.000 0.277 393 E C -1.169 175.447 176.600 0.027 0.000 0.958 393 E CA -1.449 54.961 56.400 0.017 0.000 0.779 393 E CB 1.945 31.660 29.700 0.024 0.000 1.278 393 E HN 0.429 nan 8.360 nan 0.000 0.456 394 I N -1.571 118.930 120.570 -0.114 0.000 2.646 394 I HA 0.685 4.856 4.170 0.001 0.000 0.299 394 I C -1.352 174.632 176.117 -0.223 0.000 1.036 394 I CA -1.152 60.111 61.300 -0.062 0.000 1.074 394 I CB 1.325 39.374 38.000 0.082 0.000 1.258 394 I HN 0.394 nan 8.210 nan 0.000 0.430 395 F N 3.852 123.778 119.950 -0.039 0.000 2.546 395 F HA 0.714 5.242 4.527 0.001 0.000 0.320 395 F C -0.671 175.202 175.800 0.123 0.000 1.076 395 F CA -0.544 57.435 58.000 -0.034 0.000 0.928 395 F CB 2.079 41.030 39.000 -0.082 0.000 1.189 395 F HN 0.532 nan 8.300 nan 0.000 0.465 396 Y N -0.501 119.979 120.300 0.301 0.000 2.544 396 Y HA 0.586 5.137 4.550 0.001 0.000 0.342 396 Y C -1.341 174.796 175.900 0.394 0.000 1.062 396 Y CA -1.394 56.921 58.100 0.359 0.000 1.023 396 Y CB 1.264 39.963 38.460 0.398 0.000 1.308 396 Y HN 0.623 nan 8.280 nan 0.000 0.457 397 Q N 3.106 123.207 119.800 0.502 0.000 2.322 397 Q HA 0.530 4.870 4.340 0.001 0.000 0.265 397 Q C -2.088 174.194 176.000 0.470 0.000 0.985 397 Q CA -0.854 55.184 55.803 0.392 0.000 0.849 397 Q CB 1.595 30.504 28.738 0.285 0.000 1.274 397 Q HN 0.758 nan 8.270 nan 0.000 0.449 398 F N 2.385 122.516 119.950 0.303 0.000 2.480 398 F HA 0.664 5.192 4.527 0.001 0.000 0.329 398 F C -0.699 175.191 175.800 0.149 0.000 1.091 398 F CA -0.157 58.008 58.000 0.276 0.000 0.972 398 F CB 2.139 41.378 39.000 0.399 0.000 1.150 398 F HN 0.495 nan 8.300 nan 0.000 0.467 399 T N 2.968 117.028 114.554 -0.823 0.000 2.865 399 T HA 0.757 5.107 4.350 0.001 0.000 0.294 399 T C -1.164 172.968 174.700 -0.946 0.000 1.119 399 T CA -0.057 61.659 62.100 -0.641 0.000 1.007 399 T CB 1.285 70.012 68.868 -0.235 0.000 1.225 399 T HN 1.009 nan 8.240 nan 0.000 0.515 400 S N 0.606 116.017 115.700 -0.482 0.000 2.752 400 S HA 0.545 5.015 4.470 0.001 0.000 0.284 400 S C 0.090 174.572 174.600 -0.196 0.000 1.189 400 S CA -0.700 57.255 58.200 -0.408 0.000 0.835 400 S CB 0.278 63.389 63.200 -0.147 0.000 1.192 400 S HN 0.450 nan 8.310 nan 0.000 0.506 401 F N 0.368 120.287 119.950 -0.051 0.000 2.269 401 F HA 0.259 4.787 4.527 0.001 0.000 0.301 401 F C 1.720 177.587 175.800 0.111 0.000 1.082 401 F CA 1.075 59.063 58.000 -0.019 0.000 1.360 401 F CB -0.360 38.585 39.000 -0.091 0.000 1.041 401 F HN 0.355 nan 8.300 nan 0.000 0.512 402 L N -2.030 119.377 121.223 0.307 0.000 2.731 402 L HA 0.224 4.564 4.340 0.001 0.000 0.240 402 L C 0.525 177.525 176.870 0.216 0.000 1.120 402 L CA 0.009 55.015 54.840 0.276 0.000 0.913 402 L CB 0.303 42.482 42.059 0.201 0.000 1.213 402 L HN -0.040 nan 8.230 nan 0.000 0.515 403 S N -0.686 115.052 115.700 0.063 0.000 2.538 403 S HA 0.452 4.922 4.470 0.001 0.000 0.288 403 S C -2.292 171.896 174.600 -0.687 0.000 1.108 403 S CA -1.260 56.764 58.200 -0.294 0.000 0.971 403 S CB 1.951 65.104 63.200 -0.077 0.000 1.041 403 S HN -0.231 nan 8.310 nan 0.000 0.483 404 P HA 0.203 nan 4.420 nan 0.000 0.220 404 P C 0.877 178.005 177.300 -0.287 0.000 1.148 404 P CA 1.697 64.233 63.100 -0.940 0.000 0.803 404 P CB -0.283 30.893 31.700 -0.872 0.000 0.782 405 G N -1.191 107.493 108.800 -0.193 0.000 2.422 405 G HA2 -0.029 3.931 3.960 0.001 0.000 0.607 405 G HA3 -0.029 3.931 3.960 0.001 0.000 0.607 405 G C -1.476 173.441 174.900 0.029 0.000 1.270 405 G CA -0.781 44.323 45.100 0.007 0.000 0.992 405 G HN 0.075 nan 8.290 nan 0.000 0.499 406 I N 0.123 120.743 120.570 0.083 0.000 2.607 406 I HA 0.424 4.595 4.170 0.001 0.000 0.290 406 I C -0.183 175.849 176.117 -0.140 0.000 1.129 406 I CA -0.785 60.438 61.300 -0.128 0.000 1.042 406 I CB 2.127 39.907 38.000 -0.365 0.000 1.242 406 I HN 0.454 nan 8.210 nan 0.000 0.421 407 I N 5.944 126.422 120.570 -0.153 0.000 2.315 407 I HA 0.289 4.459 4.170 0.001 0.000 0.291 407 I C -0.847 175.131 176.117 -0.231 0.000 1.006 407 I CA -0.425 60.839 61.300 -0.061 0.000 1.265 407 I CB 0.639 38.712 38.000 0.121 0.000 1.387 407 I HN 0.366 nan 8.210 nan 0.000 0.475 408 Y N 4.828 124.984 120.300 -0.241 0.000 2.376 408 Y HA 0.427 4.977 4.550 0.001 0.000 0.325 408 Y C 0.260 175.891 175.900 -0.448 0.000 1.199 408 Y CA -0.416 57.419 58.100 -0.441 0.000 1.206 408 Y CB 1.044 38.925 38.460 -0.964 0.000 1.229 408 Y HN 0.480 nan 8.280 nan 0.000 0.480 409 H N 1.312 120.191 119.070 -0.317 0.000 2.717 409 H HA 0.569 5.125 4.556 0.001 0.000 0.366 409 H C -1.697 173.400 175.328 -0.384 0.000 1.132 409 H CA -0.777 54.891 56.048 -0.632 0.000 1.180 409 H CB 2.105 31.417 29.762 -0.750 0.000 1.678 409 H HN 0.808 nan 8.280 nan 0.000 0.537 410 C N 5.028 123.813 119.300 -0.859 0.000 2.516 410 C HA 0.157 4.618 4.460 0.001 0.000 0.338 410 C C -0.691 173.912 174.990 -0.645 0.000 1.132 410 C CA -0.703 57.959 59.018 -0.593 0.000 1.310 410 C CB 0.620 28.203 27.740 -0.262 0.000 1.898 410 C HN 0.890 nan 8.230 nan 0.000 0.452 411 D N 4.313 124.406 120.400 -0.511 0.000 2.352 411 D HA 0.194 4.834 4.640 0.001 0.000 0.245 411 D C 0.749 177.009 176.300 -0.066 0.000 1.224 411 D CA 0.036 53.886 54.000 -0.251 0.000 0.879 411 D CB 0.681 41.394 40.800 -0.145 0.000 1.057 411 D HN 0.685 nan 8.370 nan 0.000 0.491 412 L N 3.117 124.354 121.223 0.023 0.000 2.612 412 L HA 0.020 4.360 4.340 0.001 0.000 0.230 412 L C 2.087 179.073 176.870 0.192 0.000 1.140 412 L CA 0.388 55.331 54.840 0.171 0.000 0.896 412 L CB -0.238 42.010 42.059 0.315 0.000 1.065 412 L HN 0.458 nan 8.230 nan 0.000 0.447 413 T N -4.241 110.372 114.554 0.098 0.000 3.113 413 T HA 0.050 4.400 4.350 0.001 0.000 0.256 413 T C 0.945 175.685 174.700 0.067 0.000 1.131 413 T CA -0.029 62.117 62.100 0.076 0.000 1.074 413 T CB 0.051 68.949 68.868 0.049 0.000 0.944 413 T HN -0.059 nan 8.240 nan 0.000 0.516 414 K N 1.761 122.199 120.400 0.063 0.000 2.144 414 K HA 0.299 4.619 4.320 0.001 0.000 0.270 414 K C 1.016 177.651 176.600 0.059 0.000 1.005 414 K CA -0.484 55.830 56.287 0.045 0.000 0.932 414 K CB 1.317 33.831 32.500 0.023 0.000 1.021 414 K HN 0.059 nan 8.250 nan 0.000 0.462 415 E N 1.234 121.460 120.200 0.043 0.000 2.072 415 E HA -0.115 4.236 4.350 0.001 0.000 0.191 415 E C -0.250 176.368 176.600 0.031 0.000 0.985 415 E CA 1.258 57.684 56.400 0.043 0.000 0.801 415 E CB 0.452 30.168 29.700 0.027 0.000 0.750 415 E HN 0.372 nan 8.360 nan 0.000 0.452 416 E N 0.800 121.011 120.200 0.017 0.000 2.114 416 E HA 0.268 4.619 4.350 0.001 0.000 0.266 416 E C -0.484 176.119 176.600 0.005 0.000 0.896 416 E CA -0.407 55.994 56.400 0.002 0.000 0.750 416 E CB 1.098 30.795 29.700 -0.005 0.000 1.121 416 E HN 0.094 nan 8.360 nan 0.000 0.413 417 L N 2.918 124.142 121.223 0.000 0.000 2.367 417 L HA 0.245 4.586 4.340 0.001 0.000 0.275 417 L C 0.506 177.397 176.870 0.034 0.000 1.129 417 L CA 0.250 55.105 54.840 0.024 0.000 0.839 417 L CB 0.443 42.520 42.059 0.029 0.000 1.133 417 L HN 0.310 nan 8.230 nan 0.000 0.453 418 E N 4.687 124.911 120.200 0.039 0.000 2.621 418 E HA 0.252 4.603 4.350 0.001 0.000 0.263 418 E C -2.504 174.115 176.600 0.031 0.000 1.033 418 E CA -1.708 54.712 56.400 0.033 0.000 0.778 418 E CB 1.459 31.165 29.700 0.010 0.000 1.426 418 E HN 0.357 nan 8.360 nan 0.000 0.394 419 P HA 0.126 nan 4.420 nan 0.000 0.271 419 P C -0.545 176.797 177.300 0.070 0.000 1.216 419 P CA -0.100 63.026 63.100 0.042 0.000 0.776 419 P CB 0.998 32.756 31.700 0.097 0.000 0.881 420 R N 1.008 121.558 120.500 0.083 0.000 2.744 420 R HA 0.461 4.801 4.340 0.001 0.000 0.279 420 R C -0.750 175.639 176.300 0.149 0.000 0.977 420 R CA -1.262 54.905 56.100 0.112 0.000 0.906 420 R CB 1.862 32.202 30.300 0.066 0.000 1.197 420 R HN 0.173 nan 8.270 nan 0.000 0.463 421 V N 3.360 123.319 119.914 0.076 0.000 2.540 421 V HA -0.050 4.070 4.120 0.001 0.000 0.297 421 V C 0.389 176.459 176.094 -0.039 0.000 1.024 421 V CA 0.861 63.105 62.300 -0.093 0.000 1.105 421 V CB 0.231 31.967 31.823 -0.145 0.000 0.938 421 V HN 0.695 nan 8.190 nan 0.000 0.482 422 F N 5.158 124.975 119.950 -0.223 0.000 2.453 422 F HA 0.389 4.917 4.527 0.001 0.000 0.284 422 F C 1.212 176.839 175.800 -0.289 0.000 1.065 422 F CA 0.306 58.175 58.000 -0.218 0.000 1.411 422 F CB 0.463 39.378 39.000 -0.141 0.000 1.131 422 F HN 0.333 nan 8.300 nan 0.000 0.582 423 R N 0.442 120.822 120.500 -0.200 0.000 2.651 423 R HA 0.422 4.762 4.340 0.001 0.000 0.278 423 R C -1.497 174.678 176.300 -0.209 0.000 1.010 423 R CA -0.715 55.190 56.100 -0.324 0.000 0.896 423 R CB 2.341 32.400 30.300 -0.402 0.000 1.211 423 R HN 0.049 nan 8.270 nan 0.000 0.456 424 E N 2.155 122.247 120.200 -0.180 0.000 2.291 424 E HA 0.366 4.717 4.350 0.001 0.000 0.276 424 E C -1.532 175.028 176.600 -0.066 0.000 0.896 424 E CA -0.815 55.513 56.400 -0.119 0.000 0.774 424 E CB 2.140 31.758 29.700 -0.137 0.000 1.227 424 E HN 0.393 nan 8.360 nan 0.000 0.413 425 V N 0.738 120.635 119.914 -0.029 0.000 2.680 425 V HA 0.770 4.891 4.120 0.001 0.000 0.309 425 V C -0.503 175.536 176.094 -0.092 0.000 1.052 425 V CA -0.389 61.909 62.300 -0.003 0.000 0.908 425 V CB 1.820 33.716 31.823 0.122 0.000 1.001 425 V HN 0.603 nan 8.190 nan 0.000 0.431 426 T N 2.981 117.487 114.554 -0.081 0.000 2.856 426 T HA 0.627 4.977 4.350 0.001 0.000 0.283 426 T C -0.717 173.914 174.700 -0.116 0.000 1.008 426 T CA -0.317 61.711 62.100 -0.120 0.000 0.997 426 T CB 1.692 70.520 68.868 -0.068 0.000 0.992 426 T HN 0.759 nan 8.240 nan 0.000 0.454 427 V N 4.979 124.796 119.914 -0.160 0.000 2.364 427 V HA 0.357 4.478 4.120 0.001 0.000 0.272 427 V C 0.201 176.299 176.094 0.006 0.000 1.036 427 V CA -0.617 61.634 62.300 -0.081 0.000 0.880 427 V CB 0.962 32.725 31.823 -0.100 0.000 0.991 427 V HN 0.712 nan 8.190 nan 0.000 0.460 428 K N 3.181 123.602 120.400 0.036 0.000 2.234 428 K HA 0.621 4.942 4.320 0.001 0.000 0.282 428 K C 1.057 177.699 176.600 0.070 0.000 1.039 428 K CA 0.657 56.972 56.287 0.047 0.000 0.928 428 K CB 1.278 33.803 32.500 0.042 0.000 1.039 428 K HN 0.935 nan 8.250 nan 0.000 0.470 429 G N 2.463 111.306 108.800 0.073 0.000 2.352 429 G HA2 -0.154 3.807 3.960 0.001 0.000 0.204 429 G HA3 -0.154 3.807 3.960 0.001 0.000 0.204 429 G C -0.250 174.708 174.900 0.096 0.000 1.004 429 G CA -0.638 44.519 45.100 0.094 0.000 0.648 429 G HN 0.429 nan 8.290 nan 0.000 0.491 430 I N 2.273 122.901 120.570 0.096 0.000 2.382 430 I HA 0.388 4.558 4.170 0.001 0.000 0.285 430 I C -1.175 175.024 176.117 0.138 0.000 1.007 430 I CA -1.068 60.307 61.300 0.125 0.000 1.142 430 I CB 1.356 39.419 38.000 0.105 0.000 1.289 430 I HN 0.103 nan 8.210 nan 0.000 0.453 431 D N 5.452 125.950 120.400 0.163 0.000 2.411 431 D HA 0.383 5.023 4.640 0.001 0.000 0.225 431 D C 1.092 177.504 176.300 0.186 0.000 1.156 431 D CA -0.146 53.920 54.000 0.109 0.000 0.874 431 D CB 1.635 42.450 40.800 0.025 0.000 1.034 431 D HN 0.635 nan 8.370 nan 0.000 0.502 432 A N 3.078 126.003 122.820 0.175 0.000 1.978 432 A HA -0.200 4.120 4.320 0.001 0.000 0.220 432 A C 2.111 179.794 177.584 0.165 0.000 1.170 432 A CA 1.956 54.132 52.037 0.231 0.000 0.636 432 A CB -0.578 18.509 19.000 0.144 0.000 0.810 432 A HN 0.617 nan 8.150 nan 0.000 0.448 433 S N -0.130 115.602 115.700 0.054 0.000 2.500 433 S HA -0.137 4.333 4.470 0.001 0.000 0.239 433 S C 0.963 175.496 174.600 -0.113 0.000 0.989 433 S CA 1.273 59.467 58.200 -0.010 0.000 0.951 433 S CB -0.421 62.770 63.200 -0.015 0.000 0.759 433 S HN 0.524 nan 8.310 nan 0.000 0.523 434 D N 0.224 120.465 120.400 -0.266 0.000 2.347 434 D HA 0.144 4.784 4.640 0.001 0.000 0.215 434 D C -0.312 175.509 176.300 -0.798 0.000 0.976 434 D CA 0.690 54.328 54.000 -0.603 0.000 0.884 434 D CB -0.001 40.250 40.800 -0.915 0.000 0.915 434 D HN 0.528 nan 8.370 nan 0.000 0.526 435 Y N -0.020 120.254 120.300 -0.043 0.000 2.598 435 Y HA 0.383 4.934 4.550 0.001 0.000 0.340 435 Y C 0.340 176.184 175.900 -0.093 0.000 1.038 435 Y CA -1.244 56.809 58.100 -0.077 0.000 1.100 435 Y CB 1.286 39.710 38.460 -0.059 0.000 1.281 435 Y HN -0.281 nan 8.280 nan 0.000 0.488 436 Q N -0.559 119.225 119.800 -0.027 0.000 2.421 436 Q HA 0.736 5.076 4.340 0.001 0.000 0.280 436 Q C -1.664 174.276 176.000 -0.101 0.000 1.085 436 Q CA -1.094 54.666 55.803 -0.071 0.000 0.807 436 Q CB 2.360 31.026 28.738 -0.121 0.000 1.405 436 Q HN 0.580 nan 8.270 nan 0.000 0.419 437 T N 1.720 116.284 114.554 0.016 0.000 2.779 437 T HA 0.537 4.888 4.350 0.001 0.000 0.280 437 T C -0.378 174.399 174.700 0.129 0.000 0.987 437 T CA -0.578 61.558 62.100 0.061 0.000 0.966 437 T CB 1.216 70.183 68.868 0.164 0.000 0.933 437 T HN 0.548 nan 8.240 nan 0.000 0.442 438 V N 1.938 121.944 119.914 0.152 0.000 2.769 438 V HA 0.725 4.846 4.120 0.001 0.000 0.312 438 V C -0.724 175.491 176.094 0.201 0.000 1.061 438 V CA -1.094 61.321 62.300 0.191 0.000 0.931 438 V CB 1.935 33.881 31.823 0.205 0.000 1.010 438 V HN 0.860 nan 8.190 nan 0.000 0.433 439 Q N 2.709 122.593 119.800 0.140 0.000 2.331 439 Q HA 0.734 5.075 4.340 0.001 0.000 0.267 439 Q C -1.114 174.789 176.000 -0.161 0.000 1.006 439 Q CA -0.778 54.976 55.803 -0.081 0.000 0.818 439 Q CB 1.910 30.570 28.738 -0.131 0.000 1.276 439 Q HN 0.974 nan 8.270 nan 0.000 0.450 440 I N -0.498 119.872 120.570 -0.333 0.000 3.067 440 I HA 0.676 4.846 4.170 0.001 0.000 0.312 440 I C -1.479 174.268 176.117 -0.617 0.000 1.073 440 I CA -0.847 60.299 61.300 -0.256 0.000 1.016 440 I CB 1.514 39.468 38.000 -0.078 0.000 1.227 440 I HN 0.427 nan 8.210 nan 0.000 0.456 441 F N 3.013 122.920 119.950 -0.071 0.000 2.499 441 F HA 0.604 5.131 4.527 0.001 0.000 0.333 441 F C -0.774 174.971 175.800 -0.090 0.000 1.138 441 F CA -0.494 57.436 58.000 -0.117 0.000 0.945 441 F CB 1.565 40.504 39.000 -0.102 0.000 1.181 441 F HN 0.536 nan 8.300 nan 0.000 0.435 442 Y N 2.165 122.436 120.300 -0.047 0.000 2.446 442 Y HA 0.856 5.406 4.550 0.001 0.000 0.338 442 Y C -3.160 172.779 175.900 0.065 0.000 1.055 442 Y CA -3.940 54.135 58.100 -0.043 0.000 1.101 442 Y CB 1.158 39.470 38.460 -0.246 0.000 1.221 442 Y HN 0.238 nan 8.280 nan 0.000 0.460 443 P HA 0.152 nan 4.420 nan 0.000 0.285 443 P C -0.287 177.128 177.300 0.192 0.000 1.259 443 P CA -0.200 62.966 63.100 0.109 0.000 0.794 443 P CB 1.951 33.720 31.700 0.115 0.000 0.940 444 S N 1.759 117.508 115.700 0.082 0.000 2.652 444 S HA 0.114 4.585 4.470 0.001 0.000 0.267 444 S C 1.559 176.212 174.600 0.089 0.000 1.201 444 S CA -0.474 57.802 58.200 0.126 0.000 0.996 444 S CB 0.241 63.467 63.200 0.043 0.000 1.054 444 S HN 0.474 nan 8.310 nan 0.000 0.561 445 K N 0.371 120.815 120.400 0.073 0.000 2.074 445 K HA -0.178 4.142 4.320 0.001 0.000 0.209 445 K C 0.962 177.579 176.600 0.027 0.000 1.048 445 K CA 2.174 58.491 56.287 0.050 0.000 0.926 445 K CB -0.420 32.104 32.500 0.040 0.000 0.713 445 K HN 0.732 nan 8.250 nan 0.000 0.444 446 D N -1.707 118.697 120.400 0.007 0.000 2.328 446 D HA 0.054 4.694 4.640 0.001 0.000 0.226 446 D C 1.021 177.318 176.300 -0.005 0.000 1.066 446 D CA 0.775 54.770 54.000 -0.008 0.000 0.861 446 D CB 0.384 41.164 40.800 -0.032 0.000 0.912 446 D HN 0.451 nan 8.370 nan 0.000 0.521 447 G N -0.565 108.241 108.800 0.010 0.000 2.217 447 G HA2 -0.269 3.692 3.960 0.001 0.000 0.246 447 G HA3 -0.269 3.692 3.960 0.001 0.000 0.246 447 G C 0.468 175.369 174.900 0.001 0.000 0.990 447 G CA 0.230 45.338 45.100 0.012 0.000 0.627 447 G HN 0.457 nan 8.290 nan 0.000 0.522 448 T N 3.228 117.774 114.554 -0.014 0.000 2.902 448 T HA 0.407 4.758 4.350 0.001 0.000 0.301 448 T C 0.412 175.103 174.700 -0.015 0.000 1.012 448 T CA 0.197 62.291 62.100 -0.011 0.000 1.151 448 T CB 1.005 69.852 68.868 -0.035 0.000 0.946 448 T HN 0.165 nan 8.240 nan 0.000 0.542 449 K N 3.797 124.198 120.400 0.002 0.000 2.312 449 K HA 0.308 4.629 4.320 0.001 0.000 0.287 449 K C -0.167 176.456 176.600 0.039 0.000 1.062 449 K CA -0.428 55.847 56.287 -0.019 0.000 0.934 449 K CB 0.680 33.168 32.500 -0.020 0.000 1.027 449 K HN 0.424 nan 8.250 nan 0.000 0.478 450 I N 5.395 125.829 120.570 -0.227 0.000 2.377 450 I HA 0.297 4.467 4.170 0.001 0.000 0.293 450 I C -2.269 173.695 176.117 -0.254 0.000 0.987 450 I CA -3.255 57.924 61.300 -0.202 0.000 1.185 450 I CB 1.151 38.759 38.000 -0.653 0.000 1.341 450 I HN 0.160 nan 8.210 nan 0.000 0.455 451 P HA 0.371 nan 4.420 nan 0.000 0.275 451 P C -0.702 176.426 177.300 -0.287 0.000 1.228 451 P CA -0.452 62.383 63.100 -0.441 0.000 0.786 451 P CB 0.877 32.367 31.700 -0.350 0.000 0.927 452 M N 2.870 122.218 119.600 -0.420 0.000 2.271 452 M HA 0.475 4.955 4.480 0.001 0.000 0.285 452 M C -1.760 174.352 176.300 -0.313 0.000 1.059 452 M CA -0.633 54.544 55.300 -0.205 0.000 0.940 452 M CB 1.124 33.710 32.600 -0.023 0.000 1.636 452 M HN -0.003 nan 8.290 nan 0.000 0.460 453 F N 5.117 125.058 119.950 -0.015 0.000 2.384 453 F HA 0.601 5.129 4.527 0.001 0.000 0.338 453 F C -0.162 175.562 175.800 -0.127 0.000 1.103 453 F CA -0.243 57.733 58.000 -0.041 0.000 1.157 453 F CB 0.962 39.987 39.000 0.043 0.000 1.167 453 F HN 0.373 nan 8.300 nan 0.000 0.529 454 I N 3.355 123.966 120.570 0.069 0.000 2.466 454 I HA 0.444 4.615 4.170 0.001 0.000 0.289 454 I C -1.228 174.881 176.117 -0.014 0.000 1.026 454 I CA -0.910 60.378 61.300 -0.020 0.000 1.078 454 I CB 1.993 39.930 38.000 -0.104 0.000 1.249 454 I HN 0.131 nan 8.210 nan 0.000 0.429 455 V N 5.669 125.538 119.914 -0.075 0.000 2.448 455 V HA 0.564 4.684 4.120 0.001 0.000 0.295 455 V C -0.783 175.346 176.094 0.059 0.000 1.025 455 V CA -0.466 61.769 62.300 -0.108 0.000 0.859 455 V CB 1.448 33.105 31.823 -0.277 0.000 0.988 455 V HN 0.963 nan 8.190 nan 0.000 0.431 456 H N 1.577 120.691 119.070 0.074 0.000 3.014 456 H HA 0.565 5.121 4.556 0.001 0.000 0.337 456 H C -0.716 174.729 175.328 0.195 0.000 1.320 456 H CA -1.159 54.951 56.048 0.104 0.000 1.128 456 H CB 1.223 31.039 29.762 0.090 0.000 1.862 456 H HN 0.457 nan 8.280 nan 0.000 0.536 457 K N 1.689 122.280 120.400 0.318 0.000 2.448 457 K HA 0.070 4.390 4.320 0.001 0.000 0.278 457 K C -0.515 176.166 176.600 0.135 0.000 1.009 457 K CA -0.325 56.056 56.287 0.156 0.000 0.995 457 K CB 0.424 32.957 32.500 0.055 0.000 0.917 457 K HN 0.611 nan 8.250 nan 0.000 0.481 458 K N 1.682 122.063 120.400 -0.031 0.000 2.436 458 K HA -0.007 4.313 4.320 0.001 0.000 0.275 458 K C 0.821 177.442 176.600 0.036 0.000 0.999 458 K CA 0.962 57.256 56.287 0.012 0.000 0.980 458 K CB 0.401 32.868 32.500 -0.055 0.000 0.919 458 K HN 0.946 nan 8.250 nan 0.000 0.484 459 G N 2.220 111.065 108.800 0.075 0.000 2.179 459 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 459 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 459 G C 0.301 175.210 174.900 0.016 0.000 0.977 459 G CA 0.311 45.431 45.100 0.033 0.000 0.641 459 G HN 0.742 nan 8.290 nan 0.000 0.533 460 I N -1.506 119.069 120.570 0.008 0.000 2.892 460 I HA 0.502 4.672 4.170 0.001 0.000 0.287 460 I C 0.479 176.572 176.117 -0.040 0.000 1.205 460 I CA -0.281 60.984 61.300 -0.057 0.000 1.409 460 I CB 0.468 38.307 38.000 -0.269 0.000 1.367 460 I HN -0.024 nan 8.210 nan 0.000 0.597 461 K N 5.683 126.115 120.400 0.052 0.000 2.234 461 K HA 0.388 4.709 4.320 0.001 0.000 0.282 461 K C -0.508 176.128 176.600 0.060 0.000 1.039 461 K CA -0.483 55.825 56.287 0.034 0.000 0.928 461 K CB 1.260 33.777 32.500 0.029 0.000 1.039 461 K HN 0.590 nan 8.250 nan 0.000 0.470 462 L N 4.682 125.850 121.223 -0.091 0.000 2.437 462 L HA 0.029 4.369 4.340 0.001 0.000 0.243 462 L C 0.328 177.125 176.870 -0.121 0.000 1.346 462 L CA 0.003 54.733 54.840 -0.183 0.000 1.233 462 L CB -0.686 41.154 42.059 -0.365 0.000 1.436 462 L HN 0.694 nan 8.230 nan 0.000 0.416 463 D N -0.834 119.518 120.400 -0.079 0.000 2.440 463 D HA 0.111 4.751 4.640 0.001 0.000 0.216 463 D C 1.284 177.510 176.300 -0.123 0.000 1.150 463 D CA 0.212 54.151 54.000 -0.102 0.000 0.832 463 D CB 0.716 41.457 40.800 -0.098 0.000 0.992 463 D HN 0.357 nan 8.370 nan 0.000 0.502 464 G N 0.691 109.425 108.800 -0.111 0.000 2.184 464 G HA2 -0.359 3.601 3.960 0.001 0.000 0.264 464 G HA3 -0.359 3.601 3.960 0.001 0.000 0.264 464 G C 1.058 175.876 174.900 -0.136 0.000 0.975 464 G CA 0.752 45.803 45.100 -0.082 0.000 0.642 464 G HN 0.742 nan 8.290 nan 0.000 0.536 465 S N -0.152 115.348 115.700 -0.334 0.000 2.575 465 S HA 0.246 4.716 4.470 0.001 0.000 0.215 465 S C 0.688 175.069 174.600 -0.365 0.000 0.966 465 S CA 0.021 58.005 58.200 -0.360 0.000 0.911 465 S CB 0.010 62.971 63.200 -0.398 0.000 0.780 465 S HN 0.602 nan 8.310 nan 0.000 0.514 466 H N 2.541 121.627 119.070 0.028 0.000 2.458 466 H HA 0.464 5.021 4.556 0.001 0.000 0.330 466 H C -2.915 172.470 175.328 0.096 0.000 1.111 466 H CA -2.383 53.691 56.048 0.042 0.000 1.245 466 H CB 0.752 30.541 29.762 0.046 0.000 1.456 466 H HN 0.190 nan 8.280 nan 0.000 0.488 467 P HA 0.204 nan 4.420 nan 0.000 0.271 467 P C -0.762 176.803 177.300 0.442 0.000 1.218 467 P CA -0.190 63.092 63.100 0.303 0.000 0.780 467 P CB 0.767 32.646 31.700 0.299 0.000 0.901 468 A N 2.562 125.690 122.820 0.514 0.000 2.454 468 A HA 0.730 5.050 4.320 0.001 0.000 0.302 468 A C -1.732 176.160 177.584 0.513 0.000 1.079 468 A CA -0.532 51.823 52.037 0.531 0.000 0.731 468 A CB 1.029 20.218 19.000 0.315 0.000 1.299 468 A HN 0.453 nan 8.150 nan 0.000 0.413 469 F N 2.290 122.403 119.950 0.271 0.000 2.500 469 F HA 0.583 5.110 4.527 0.001 0.000 0.349 469 F C -1.106 174.764 175.800 0.116 0.000 1.127 469 F CA -0.856 57.156 58.000 0.020 0.000 0.998 469 F CB 1.474 40.277 39.000 -0.328 0.000 1.237 469 F HN 0.475 nan 8.300 nan 0.000 0.439 470 L N 8.156 129.326 121.223 -0.090 0.000 2.280 470 L HA 0.469 4.810 4.340 0.001 0.000 0.287 470 L C -1.961 174.968 176.870 0.097 0.000 1.023 470 L CA -0.635 54.216 54.840 0.018 0.000 0.819 470 L CB 0.778 42.771 42.059 -0.110 0.000 1.212 470 L HN 0.590 nan 8.230 nan 0.000 0.420 471 Y N 4.336 124.738 120.300 0.170 0.000 2.409 471 Y HA 0.825 5.376 4.550 0.001 0.000 0.339 471 Y C 0.110 176.222 175.900 0.354 0.000 1.033 471 Y CA -0.055 58.174 58.100 0.214 0.000 1.094 471 Y CB 1.876 40.484 38.460 0.245 0.000 1.210 471 Y HN 0.751 nan 8.280 nan 0.000 0.456 472 G N 3.349 111.812 108.800 -0.562 0.000 2.684 472 G HA2 0.303 4.263 3.960 0.001 0.000 0.290 472 G HA3 0.303 4.263 3.960 0.001 0.000 0.290 472 G C -1.991 172.509 174.900 -0.666 0.000 1.425 472 G CA -0.450 44.363 45.100 -0.479 0.000 0.822 472 G HN 0.640 nan 8.290 nan 0.000 0.482 473 Y N -0.072 119.965 120.300 -0.438 0.000 3.213 473 Y HA 0.475 5.025 4.550 0.001 0.000 0.168 473 Y C 1.476 177.232 175.900 -0.240 0.000 0.880 473 Y CA 1.492 59.406 58.100 -0.310 0.000 1.806 473 Y CB 0.582 38.968 38.460 -0.123 0.000 1.369 473 Y HN 1.662 nan 8.280 nan 0.000 0.377 474 G N 0.965 109.773 108.800 0.015 0.000 2.545 474 G HA2 0.354 4.315 3.960 0.001 0.000 0.279 474 G HA3 0.354 4.315 3.960 0.001 0.000 0.279 474 G C -0.067 174.730 174.900 -0.171 0.000 1.131 474 G CA 0.357 45.391 45.100 -0.110 0.000 1.100 474 G HN 1.348 nan 8.290 nan 0.000 0.525 475 G N -1.402 107.422 108.800 0.040 0.000 2.338 475 G HA2 0.638 4.598 3.960 0.001 0.000 0.295 475 G HA3 0.638 4.598 3.960 0.001 0.000 0.295 475 G C -0.008 175.009 174.900 0.195 0.000 1.461 475 G CA 0.226 45.305 45.100 -0.034 0.000 0.817 475 G HN 1.452 nan 8.290 nan 0.000 0.556 476 F N -0.465 119.458 119.950 -0.045 0.000 3.034 476 F HA -0.247 4.280 4.527 0.001 0.000 0.286 476 F C 1.299 176.896 175.800 -0.340 0.000 0.804 476 F CA 1.286 59.185 58.000 -0.169 0.000 1.161 476 F CB -1.535 37.437 39.000 -0.047 0.000 1.317 476 F HN 1.149 nan 8.300 nan 0.000 0.453 477 N N -0.302 118.113 118.700 -0.476 0.000 2.741 477 N HA -0.209 4.532 4.740 0.001 0.000 0.251 477 N C -0.519 174.955 175.510 -0.059 0.000 1.112 477 N CA 1.021 53.879 53.050 -0.320 0.000 0.750 477 N CB -0.652 37.594 38.487 -0.401 0.000 1.119 477 N HN 0.390 nan 8.380 nan 0.000 0.561 478 I N 0.917 121.509 120.570 0.036 0.000 2.325 478 I HA 0.164 4.334 4.170 0.001 0.000 0.291 478 I C 0.475 176.617 176.117 0.041 0.000 1.019 478 I CA -0.126 61.174 61.300 -0.000 0.000 1.302 478 I CB 1.107 39.034 38.000 -0.122 0.000 1.401 478 I HN 0.071 nan 8.210 nan 0.000 0.485 479 S N 6.959 122.669 115.700 0.017 0.000 2.499 479 S HA 0.481 4.951 4.470 0.001 0.000 0.279 479 S C 0.166 174.800 174.600 0.056 0.000 1.219 479 S CA -0.550 57.676 58.200 0.044 0.000 1.062 479 S CB 1.246 64.447 63.200 0.001 0.000 0.978 479 S HN 0.259 nan 8.310 nan 0.000 0.489 480 I N 4.690 125.336 120.570 0.127 0.000 2.276 480 I HA 0.194 4.364 4.170 0.001 0.000 0.290 480 I C 1.035 177.283 176.117 0.218 0.000 1.109 480 I CA -0.223 61.186 61.300 0.181 0.000 1.229 480 I CB -0.732 37.448 38.000 0.299 0.000 1.452 480 I HN 0.603 nan 8.210 nan 0.000 0.497 481 T N 3.987 118.605 114.554 0.107 0.000 2.948 481 T HA 0.631 4.981 4.350 0.001 0.000 0.285 481 T C -2.700 171.886 174.700 -0.189 0.000 1.019 481 T CA -2.235 59.898 62.100 0.054 0.000 1.013 481 T CB 1.632 70.508 68.868 0.013 0.000 1.117 481 T HN 0.122 nan 8.240 nan 0.000 0.533 482 P HA 0.236 nan 4.420 nan 0.000 0.268 482 P C -0.629 176.197 177.300 -0.790 0.000 1.204 482 P CA -0.162 62.173 63.100 -1.275 0.000 0.768 482 P CB 0.252 31.097 31.700 -1.426 0.000 0.842 483 N N 1.753 120.008 118.700 -0.742 0.000 2.396 483 N HA 0.145 4.886 4.740 0.001 0.000 0.275 483 N C -1.814 173.615 175.510 -0.135 0.000 1.218 483 N CA -0.709 52.161 53.050 -0.301 0.000 0.812 483 N CB 1.039 39.434 38.487 -0.153 0.000 1.592 483 N HN 0.171 nan 8.380 nan 0.000 0.480 484 Y N 0.934 121.155 120.300 -0.132 0.000 2.404 484 Y HA 0.401 4.952 4.550 0.001 0.000 0.344 484 Y C -0.256 175.664 175.900 0.034 0.000 0.995 484 Y CA -0.122 57.957 58.100 -0.035 0.000 1.201 484 Y CB 0.713 39.159 38.460 -0.022 0.000 1.151 484 Y HN 0.620 nan 8.280 nan 0.000 0.517 485 S N 5.590 120.992 115.700 -0.496 0.000 2.774 485 S HA 0.333 4.804 4.470 0.001 0.000 0.297 485 S C 0.257 174.516 174.600 -0.568 0.000 1.143 485 S CA -0.727 57.243 58.200 -0.385 0.000 1.090 485 S CB 0.693 63.777 63.200 -0.194 0.000 1.019 485 S HN 0.616 nan 8.310 nan 0.000 0.482 486 V N 4.976 124.605 119.914 -0.475 0.000 2.407 486 V HA -0.144 3.976 4.120 0.001 0.000 0.248 486 V C 2.732 178.683 176.094 -0.238 0.000 1.055 486 V CA 2.448 64.569 62.300 -0.298 0.000 1.049 486 V CB -0.996 30.855 31.823 0.047 0.000 0.662 486 V HN 0.990 nan 8.190 nan 0.000 0.455 487 S N 0.726 116.299 115.700 -0.211 0.000 2.370 487 S HA -0.273 4.198 4.470 0.001 0.000 0.226 487 S C 2.055 176.472 174.600 -0.306 0.000 1.033 487 S CA 1.593 59.708 58.200 -0.142 0.000 1.011 487 S CB -0.488 62.716 63.200 0.007 0.000 0.852 487 S HN 0.597 nan 8.310 nan 0.000 0.457 488 R N 0.800 121.129 120.500 -0.284 0.000 2.115 488 R HA 0.262 4.603 4.340 0.001 0.000 0.226 488 R C 2.357 178.521 176.300 -0.225 0.000 1.100 488 R CA 1.108 57.025 56.100 -0.304 0.000 0.980 488 R CB -0.533 29.638 30.300 -0.215 0.000 0.875 488 R HN 0.401 nan 8.270 nan 0.000 0.445 489 L N 0.362 121.425 121.223 -0.267 0.000 2.141 489 L HA -0.137 4.204 4.340 0.001 0.000 0.209 489 L C 2.164 178.887 176.870 -0.245 0.000 1.094 489 L CA 1.072 55.735 54.840 -0.294 0.000 0.763 489 L CB -0.299 41.561 42.059 -0.330 0.000 0.908 489 L HN 0.187 nan 8.230 nan 0.000 0.437 490 I N -0.924 119.524 120.570 -0.204 0.000 2.315 490 I HA -0.313 3.857 4.170 0.001 0.000 0.248 490 I C 2.451 178.505 176.117 -0.105 0.000 1.117 490 I CA 1.238 62.460 61.300 -0.130 0.000 1.404 490 I CB -0.264 37.577 38.000 -0.264 0.000 1.071 490 I HN 0.157 nan 8.210 nan 0.000 0.419 491 F N 1.334 121.086 119.950 -0.329 0.000 2.126 491 F HA -0.211 4.316 4.527 0.001 0.000 0.299 491 F C 2.264 177.985 175.800 -0.133 0.000 1.096 491 F CA 1.606 59.460 58.000 -0.243 0.000 1.255 491 F CB -0.399 38.365 39.000 -0.393 0.000 0.997 491 F HN -0.224 nan 8.300 nan 0.000 0.479 492 V N 0.837 120.621 119.914 -0.216 0.000 2.237 492 V HA -0.292 3.828 4.120 0.001 0.000 0.245 492 V C 2.539 178.474 176.094 -0.265 0.000 1.046 492 V CA 2.369 64.510 62.300 -0.266 0.000 1.007 492 V CB -0.794 30.887 31.823 -0.238 0.000 0.638 492 V HN 0.292 nan 8.190 nan 0.000 0.445 493 R N -0.469 119.856 120.500 -0.292 0.000 2.062 493 R HA -0.091 4.250 4.340 0.001 0.000 0.229 493 R C 2.121 178.079 176.300 -0.571 0.000 1.128 493 R CA 1.790 57.676 56.100 -0.356 0.000 0.960 493 R CB -0.536 29.506 30.300 -0.430 0.000 0.855 493 R HN 0.637 nan 8.270 nan 0.000 0.432 494 H N -1.421 117.381 119.070 -0.447 0.000 2.622 494 H HA 0.277 4.834 4.556 0.001 0.000 0.269 494 H C 0.726 175.641 175.328 -0.688 0.000 0.977 494 H CA 0.658 56.211 56.048 -0.825 0.000 1.179 494 H CB 0.581 29.486 29.762 -1.428 0.000 1.458 494 H HN 0.228 nan 8.280 nan 0.000 0.531 495 M N -0.992 118.411 119.600 -0.329 0.000 2.347 495 M HA 0.239 4.719 4.480 0.001 0.000 0.324 495 M C 0.946 177.061 176.300 -0.309 0.000 1.028 495 M CA 0.128 55.297 55.300 -0.219 0.000 0.988 495 M CB 1.671 34.244 32.600 -0.045 0.000 1.528 495 M HN 0.219 nan 8.290 nan 0.000 0.550 496 G N 1.046 109.658 108.800 -0.313 0.000 2.179 496 G HA2 -0.206 3.754 3.960 0.001 0.000 0.257 496 G HA3 -0.206 3.754 3.960 0.001 0.000 0.257 496 G C 0.268 175.013 174.900 -0.258 0.000 1.010 496 G CA 0.035 45.010 45.100 -0.208 0.000 0.736 496 G HN 0.614 nan 8.290 nan 0.000 0.513 497 G N -1.614 106.834 108.800 -0.587 0.000 2.528 497 G HA2 0.653 4.614 3.960 0.001 0.000 0.289 497 G HA3 0.653 4.614 3.960 0.001 0.000 0.289 497 G C -0.250 174.572 174.900 -0.130 0.000 1.192 497 G CA -0.061 44.637 45.100 -0.670 0.000 0.921 497 G HN 0.896 nan 8.290 nan 0.000 0.512 498 V N 0.867 120.887 119.914 0.177 0.000 2.459 498 V HA 0.399 4.519 4.120 0.001 0.000 0.295 498 V C -0.289 176.038 176.094 0.389 0.000 1.029 498 V CA -0.696 61.756 62.300 0.253 0.000 0.874 498 V CB 1.344 33.312 31.823 0.242 0.000 0.985 498 V HN 0.641 nan 8.190 nan 0.000 0.438 499 L N 4.845 126.225 121.223 0.261 0.000 2.309 499 L HA 0.931 5.271 4.340 0.001 0.000 0.282 499 L C 0.005 176.944 176.870 0.115 0.000 1.036 499 L CA 0.016 55.000 54.840 0.239 0.000 0.806 499 L CB 1.296 43.411 42.059 0.095 0.000 1.220 499 L HN 0.795 nan 8.230 nan 0.000 0.429 500 A N 4.378 127.296 122.820 0.164 0.000 2.486 500 A HA 0.797 5.118 4.320 0.001 0.000 0.300 500 A C -1.710 176.002 177.584 0.213 0.000 1.048 500 A CA -0.544 51.554 52.037 0.101 0.000 0.696 500 A CB 1.840 20.862 19.000 0.038 0.000 1.278 500 A HN 0.508 nan 8.150 nan 0.000 0.405 501 V N 1.568 121.631 119.914 0.249 0.000 2.443 501 V HA 0.663 4.783 4.120 0.001 0.000 0.293 501 V C 0.298 176.601 176.094 0.347 0.000 1.021 501 V CA -0.288 62.257 62.300 0.408 0.000 0.848 501 V CB 1.399 33.546 31.823 0.541 0.000 0.998 501 V HN 1.330 nan 8.190 nan 0.000 0.424 502 A N 3.572 126.612 122.820 0.366 0.000 2.260 502 A HA 0.578 4.898 4.320 0.001 0.000 0.314 502 A C 0.152 177.941 177.584 0.342 0.000 1.257 502 A CA -0.529 51.715 52.037 0.344 0.000 0.871 502 A CB -0.016 19.229 19.000 0.409 0.000 1.166 502 A HN 0.882 nan 8.150 nan 0.000 0.522 503 N N 2.495 121.358 118.700 0.271 0.000 3.245 503 N HA 0.252 4.992 4.740 0.001 0.000 0.296 503 N C 0.334 176.120 175.510 0.460 0.000 1.254 503 N CA -0.189 53.040 53.050 0.299 0.000 1.190 503 N CB -0.091 38.490 38.487 0.157 0.000 1.460 503 N HN 0.790 nan 8.380 nan 0.000 0.538 504 I N -2.452 118.325 120.570 0.345 0.000 3.060 504 I HA 0.173 4.343 4.170 0.001 0.000 0.285 504 I C 0.617 176.757 176.117 0.038 0.000 1.190 504 I CA -0.757 60.666 61.300 0.206 0.000 1.363 504 I CB 0.752 38.822 38.000 0.116 0.000 1.396 504 I HN 0.107 nan 8.210 nan 0.000 0.607 505 R N 1.744 121.987 120.500 -0.428 0.000 2.827 505 R HA 0.293 4.634 4.340 0.001 0.000 0.269 505 R C 1.146 177.180 176.300 -0.444 0.000 1.048 505 R CA 1.034 56.592 56.100 -0.904 0.000 1.173 505 R CB 0.185 29.902 30.300 -0.971 0.000 1.070 505 R HN 1.080 nan 8.270 nan 0.000 0.498 506 G N 0.023 108.606 108.800 -0.361 0.000 2.317 506 G HA2 -0.245 3.716 3.960 0.001 0.000 0.227 506 G HA3 -0.245 3.716 3.960 0.001 0.000 0.227 506 G C 0.542 175.497 174.900 0.091 0.000 1.042 506 G CA -0.202 44.821 45.100 -0.128 0.000 0.623 506 G HN 0.896 nan 8.290 nan 0.000 0.509 507 G N -0.238 108.662 108.800 0.168 0.000 2.653 507 G HA2 0.536 4.497 3.960 0.001 0.000 0.265 507 G HA3 0.536 4.497 3.960 0.001 0.000 0.265 507 G C 1.119 176.233 174.900 0.356 0.000 1.237 507 G CA 0.318 45.593 45.100 0.292 0.000 0.946 507 G HN 1.335 nan 8.290 nan 0.000 0.522 508 G N -1.419 107.509 108.800 0.214 0.000 3.189 508 G HA2 0.217 4.177 3.960 0.001 0.000 0.225 508 G HA3 0.217 4.177 3.960 0.001 0.000 0.225 508 G C 1.061 175.995 174.900 0.057 0.000 1.159 508 G CA 0.184 45.376 45.100 0.153 0.000 0.763 508 G HN 0.546 nan 8.290 nan 0.000 0.549 509 E N -0.010 120.163 120.200 -0.045 0.000 2.153 509 E HA -0.074 4.276 4.350 0.001 0.000 0.194 509 E C 0.226 176.316 176.600 -0.849 0.000 0.988 509 E CA 0.915 57.027 56.400 -0.481 0.000 0.811 509 E CB -0.126 29.193 29.700 -0.636 0.000 0.746 509 E HN 0.589 nan 8.360 nan 0.000 0.466 510 Y N -0.292 119.771 120.300 -0.396 0.000 2.669 510 Y HA 0.439 4.989 4.550 0.001 0.000 0.302 510 Y C 0.843 176.798 175.900 0.093 0.000 1.000 510 Y CA -0.111 57.857 58.100 -0.221 0.000 1.222 510 Y CB 0.680 38.863 38.460 -0.461 0.000 1.209 510 Y HN 0.096 nan 8.280 nan 0.000 0.571 511 G N 0.647 109.576 108.800 0.216 0.000 2.642 511 G HA2 -0.372 3.588 3.960 0.001 0.000 0.231 511 G HA3 -0.372 3.588 3.960 0.001 0.000 0.231 511 G C 0.697 175.788 174.900 0.318 0.000 1.338 511 G CA 0.277 45.553 45.100 0.292 0.000 0.883 511 G HN 0.325 nan 8.290 nan 0.000 0.570 512 E N -0.346 120.000 120.200 0.243 0.000 2.204 512 E HA -0.054 4.296 4.350 0.001 0.000 0.194 512 E C 2.767 179.467 176.600 0.167 0.000 0.989 512 E CA 2.674 59.196 56.400 0.204 0.000 0.824 512 E CB -0.506 29.233 29.700 0.067 0.000 0.756 512 E HN 0.955 nan 8.360 nan 0.000 0.477 513 T N -2.350 112.305 114.554 0.168 0.000 2.821 513 T HA -0.176 4.175 4.350 0.001 0.000 0.267 513 T C 1.849 176.675 174.700 0.210 0.000 1.046 513 T CA 1.004 63.189 62.100 0.141 0.000 1.139 513 T CB -0.903 68.047 68.868 0.137 0.000 0.871 513 T HN 0.408 nan 8.240 nan 0.000 0.454 514 W N 1.703 123.058 121.300 0.092 0.000 2.358 514 W HA -0.167 4.493 4.660 0.001 0.000 0.303 514 W C 2.386 178.951 176.519 0.077 0.000 1.208 514 W CA 1.471 58.876 57.345 0.101 0.000 1.274 514 W CB -0.463 29.103 29.460 0.177 0.000 1.138 514 W HN 0.527 nan 8.180 nan 0.000 0.515 515 H N 0.547 119.704 119.070 0.144 0.000 2.293 515 H HA -0.167 4.389 4.556 0.001 0.000 0.300 515 H C 2.124 177.366 175.328 -0.143 0.000 1.082 515 H CA 1.797 57.833 56.048 -0.019 0.000 1.308 515 H CB -0.131 29.643 29.762 0.020 0.000 1.375 515 H HN 0.034 nan 8.280 nan 0.000 0.495 516 K N -0.059 120.185 120.400 -0.260 0.000 2.283 516 K HA -0.059 4.262 4.320 0.001 0.000 0.202 516 K C 2.127 178.539 176.600 -0.314 0.000 1.048 516 K CA 0.646 56.714 56.287 -0.365 0.000 0.948 516 K CB -0.025 32.336 32.500 -0.232 0.000 0.742 516 K HN 0.381 nan 8.250 nan 0.000 0.458 517 G N 0.414 109.046 108.800 -0.279 0.000 2.679 517 G HA2 -0.103 3.858 3.960 0.001 0.000 0.212 517 G HA3 -0.103 3.858 3.960 0.001 0.000 0.212 517 G C 0.835 175.489 174.900 -0.410 0.000 1.137 517 G CA 0.607 45.502 45.100 -0.341 0.000 0.787 517 G HN 0.368 nan 8.290 nan 0.000 0.534 518 G N 0.148 108.702 108.800 -0.410 0.000 4.379 518 G HA2 0.498 4.458 3.960 0.001 0.000 0.290 518 G HA3 0.498 4.458 3.960 0.001 0.000 0.290 518 G C 0.021 174.662 174.900 -0.431 0.000 1.065 518 G CA -0.265 44.575 45.100 -0.433 0.000 0.833 518 G HN 0.489 nan 8.290 nan 0.000 0.512 519 I N -3.296 117.009 120.570 -0.441 0.000 3.042 519 I HA 0.747 4.917 4.170 0.001 0.000 0.310 519 I C 0.813 176.652 176.117 -0.465 0.000 1.117 519 I CA -1.241 59.798 61.300 -0.436 0.000 1.003 519 I CB 1.608 39.310 38.000 -0.497 0.000 1.228 519 I HN 0.085 nan 8.210 nan 0.000 0.443 520 L N 0.878 121.845 121.223 -0.427 0.000 6.079 520 L HA -0.383 3.957 4.340 0.001 0.000 0.053 520 L C 1.877 177.917 176.870 -1.383 0.000 2.483 520 L CA 1.311 55.709 54.840 -0.736 0.000 1.581 520 L CB -1.830 39.880 42.059 -0.582 0.000 2.843 520 L HN 0.950 nan 8.230 nan 0.000 1.020 521 A N -0.432 121.279 122.820 -1.848 0.000 2.067 521 A HA -0.067 4.253 4.320 0.001 0.000 0.219 521 A C 1.390 178.506 177.584 -0.781 0.000 1.158 521 A CA 1.997 52.998 52.037 -1.725 0.000 0.661 521 A CB -0.563 17.908 19.000 -0.881 0.000 0.801 521 A HN 0.660 nan 8.150 nan 0.000 0.452 522 N N -0.741 117.598 118.700 -0.601 0.000 2.235 522 N HA 0.020 4.761 4.740 0.001 0.000 0.209 522 N C 1.110 176.363 175.510 -0.429 0.000 1.122 522 N CA 0.296 53.096 53.050 -0.417 0.000 0.845 522 N CB 0.525 38.799 38.487 -0.354 0.000 1.004 522 N HN 0.402 nan 8.380 nan 0.000 0.499 523 K N 1.631 121.752 120.400 -0.465 0.000 2.152 523 K HA -0.177 4.143 4.320 0.001 0.000 0.206 523 K C 1.901 178.085 176.600 -0.693 0.000 1.048 523 K CA 1.227 57.174 56.287 -0.566 0.000 0.933 523 K CB -0.017 32.164 32.500 -0.532 0.000 0.721 523 K HN -0.031 nan 8.250 nan 0.000 0.447 524 Q N 0.632 120.202 119.800 -0.383 0.000 2.297 524 Q HA -0.106 4.234 4.340 0.001 0.000 0.208 524 Q C 1.272 177.128 176.000 -0.240 0.000 0.981 524 Q CA 1.598 57.307 55.803 -0.157 0.000 0.876 524 Q CB -0.327 28.427 28.738 0.027 0.000 0.921 524 Q HN 0.378 nan 8.270 nan 0.000 0.446 525 N N -0.684 117.830 118.700 -0.310 0.000 2.149 525 N HA -0.164 4.576 4.740 0.001 0.000 0.188 525 N C 1.560 176.875 175.510 -0.325 0.000 1.019 525 N CA 1.502 54.386 53.050 -0.276 0.000 0.857 525 N CB -0.735 37.563 38.487 -0.315 0.000 0.997 525 N HN 0.367 nan 8.380 nan 0.000 0.426 526 C N 0.262 119.234 119.300 -0.547 0.000 2.413 526 C HA -0.092 4.368 4.460 0.001 0.000 0.276 526 C C 2.453 177.225 174.990 -0.363 0.000 1.236 526 C CA 0.296 58.975 59.018 -0.564 0.000 1.735 526 C CB -1.549 25.668 27.740 -0.872 0.000 2.031 526 C HN 0.294 nan 8.230 nan 0.000 0.474 527 F N 1.465 121.344 119.950 -0.118 0.000 2.163 527 F HA -0.049 4.478 4.527 0.001 0.000 0.297 527 F C 2.170 178.008 175.800 0.063 0.000 1.094 527 F CA 1.236 59.220 58.000 -0.027 0.000 1.290 527 F CB -1.209 37.744 39.000 -0.078 0.000 1.017 527 F HN 0.187 nan 8.300 nan 0.000 0.483 528 D N 0.446 120.937 120.400 0.151 0.000 2.097 528 D HA -0.158 4.482 4.640 0.001 0.000 0.195 528 D C 1.819 178.210 176.300 0.150 0.000 0.989 528 D CA 1.519 55.593 54.000 0.124 0.000 0.827 528 D CB -0.535 40.296 40.800 0.052 0.000 0.966 528 D HN 0.171 nan 8.370 nan 0.000 0.456 529 D N -0.246 120.223 120.400 0.116 0.000 2.104 529 D HA -0.163 4.478 4.640 0.001 0.000 0.194 529 D C 1.840 178.350 176.300 0.350 0.000 0.994 529 D CA 0.578 54.704 54.000 0.210 0.000 0.830 529 D CB -0.483 40.376 40.800 0.097 0.000 0.959 529 D HN 0.159 nan 8.370 nan 0.000 0.452 530 F N 1.312 121.331 119.950 0.116 0.000 2.186 530 F HA -0.096 4.431 4.527 0.001 0.000 0.299 530 F C 2.405 178.288 175.800 0.138 0.000 1.090 530 F CA 1.180 59.248 58.000 0.114 0.000 1.307 530 F CB -0.215 38.821 39.000 0.061 0.000 1.019 530 F HN -0.074 nan 8.300 nan 0.000 0.489 531 Q N -1.168 118.771 119.800 0.231 0.000 2.124 531 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 531 Q C 2.414 178.423 176.000 0.014 0.000 0.977 531 Q CA 1.929 57.821 55.803 0.148 0.000 0.850 531 Q CB -0.608 28.236 28.738 0.176 0.000 0.901 531 Q HN 0.414 nan 8.270 nan 0.000 0.429 532 C N 0.089 119.426 119.300 0.061 0.000 2.435 532 C HA -0.038 4.422 4.460 0.001 0.000 0.279 532 C C 2.803 177.611 174.990 -0.303 0.000 1.321 532 C CA 0.503 59.536 59.018 0.026 0.000 1.752 532 C CB -1.135 26.755 27.740 0.251 0.000 1.959 532 C HN 0.616 nan 8.230 nan 0.000 0.500 533 A N 0.792 123.312 122.820 -0.500 0.000 1.877 533 A HA 0.030 4.351 4.320 0.001 0.000 0.216 533 A C 2.387 179.723 177.584 -0.414 0.000 1.186 533 A CA 2.096 53.624 52.037 -0.848 0.000 0.620 533 A CB -0.929 17.751 19.000 -0.532 0.000 0.822 533 A HN 0.552 nan 8.150 nan 0.000 0.443 534 A N -0.179 122.460 122.820 -0.300 0.000 1.877 534 A HA -0.197 4.124 4.320 0.001 0.000 0.216 534 A C 1.910 179.421 177.584 -0.121 0.000 1.186 534 A CA 1.726 53.664 52.037 -0.166 0.000 0.620 534 A CB -0.615 18.338 19.000 -0.078 0.000 0.822 534 A HN 0.640 nan 8.150 nan 0.000 0.443 535 E N -1.728 118.400 120.200 -0.120 0.000 2.118 535 E HA -0.233 4.118 4.350 0.001 0.000 0.195 535 E C 1.849 178.427 176.600 -0.037 0.000 0.992 535 E CA 1.518 57.872 56.400 -0.076 0.000 0.804 535 E CB -0.330 29.341 29.700 -0.048 0.000 0.741 535 E HN 0.803 nan 8.360 nan 0.000 0.458 536 Y N 1.442 121.633 120.300 -0.181 0.000 2.114 536 Y HA -0.222 4.328 4.550 0.001 0.000 0.284 536 Y C 1.979 177.859 175.900 -0.034 0.000 1.143 536 Y CA 1.502 59.527 58.100 -0.125 0.000 1.135 536 Y CB -0.227 38.077 38.460 -0.261 0.000 0.980 536 Y HN -0.064 nan 8.280 nan 0.000 0.499 537 L N -0.373 120.919 121.223 0.115 0.000 2.079 537 L HA -0.256 4.084 4.340 0.001 0.000 0.210 537 L C 2.359 179.288 176.870 0.098 0.000 1.081 537 L CA 1.581 56.505 54.840 0.140 0.000 0.752 537 L CB -0.574 41.533 42.059 0.079 0.000 0.896 537 L HN 0.319 nan 8.230 nan 0.000 0.433 538 I N -0.478 120.096 120.570 0.006 0.000 2.233 538 I HA -0.256 3.914 4.170 0.001 0.000 0.243 538 I C 2.713 178.795 176.117 -0.057 0.000 1.093 538 I CA 1.134 62.423 61.300 -0.018 0.000 1.380 538 I CB -0.290 37.681 38.000 -0.047 0.000 1.067 538 I HN 0.183 nan 8.210 nan 0.000 0.413 539 K N 0.875 121.218 120.400 -0.095 0.000 2.057 539 K HA -0.191 4.129 4.320 0.001 0.000 0.207 539 K C 1.645 178.151 176.600 -0.158 0.000 1.049 539 K CA 1.393 57.609 56.287 -0.118 0.000 0.931 539 K CB 0.089 32.518 32.500 -0.118 0.000 0.714 539 K HN 0.201 nan 8.250 nan 0.000 0.440 540 E N -0.705 119.355 120.200 -0.233 0.000 2.502 540 E HA 0.001 4.351 4.350 0.001 0.000 0.194 540 E C 0.956 177.419 176.600 -0.228 0.000 1.062 540 E CA 0.796 57.044 56.400 -0.254 0.000 0.867 540 E CB 0.496 29.966 29.700 -0.383 0.000 0.888 540 E HN 0.614 nan 8.360 nan 0.000 0.510 541 G N 0.858 109.575 108.800 -0.139 0.000 2.141 541 G HA2 -0.341 3.619 3.960 0.001 0.000 0.242 541 G HA3 -0.341 3.619 3.960 0.001 0.000 0.242 541 G C 0.684 175.502 174.900 -0.136 0.000 0.982 541 G CA 0.410 45.425 45.100 -0.141 0.000 0.662 541 G HN 0.314 nan 8.290 nan 0.000 0.527 542 Y N 0.139 120.436 120.300 -0.006 0.000 2.293 542 Y HA 0.302 4.853 4.550 0.001 0.000 0.291 542 Y C 2.077 178.060 175.900 0.137 0.000 1.137 542 Y CA 2.068 60.207 58.100 0.064 0.000 1.202 542 Y CB 0.175 38.659 38.460 0.040 0.000 0.990 542 Y HN 0.422 nan 8.280 nan 0.000 0.537 543 T N -2.325 112.352 114.554 0.205 0.000 2.648 543 T HA 0.591 4.941 4.350 0.001 0.000 0.304 543 T C -1.313 173.424 174.700 0.062 0.000 1.312 543 T CA -0.697 61.492 62.100 0.148 0.000 1.023 543 T CB 1.129 70.112 68.868 0.191 0.000 1.612 543 T HN -0.131 nan 8.240 nan 0.000 0.487 544 S N 0.926 116.655 115.700 0.048 0.000 2.588 544 S HA 0.519 4.989 4.470 0.001 0.000 0.275 544 S C -2.148 172.461 174.600 0.014 0.000 1.130 544 S CA -1.009 57.197 58.200 0.010 0.000 0.855 544 S CB 1.995 65.192 63.200 -0.006 0.000 1.116 544 S HN 0.541 nan 8.310 nan 0.000 0.472 545 P HA -0.204 nan 4.420 nan 0.000 0.216 545 P C 1.206 178.514 177.300 0.014 0.000 1.154 545 P CA 1.417 64.493 63.100 -0.041 0.000 0.865 545 P CB -0.020 31.626 31.700 -0.090 0.000 0.789 546 K N -0.156 120.255 120.400 0.019 0.000 2.442 546 K HA -0.051 4.270 4.320 0.001 0.000 0.198 546 K C 1.499 178.143 176.600 0.073 0.000 1.042 546 K CA 1.036 57.348 56.287 0.041 0.000 0.958 546 K CB -0.208 32.308 32.500 0.027 0.000 0.766 546 K HN 0.108 nan 8.250 nan 0.000 0.474 547 R N 0.444 120.996 120.500 0.087 0.000 2.437 547 R HA 0.214 4.555 4.340 0.001 0.000 0.257 547 R C -0.424 175.987 176.300 0.184 0.000 0.927 547 R CA -0.437 55.743 56.100 0.132 0.000 1.078 547 R CB 0.320 30.691 30.300 0.119 0.000 1.161 547 R HN 0.064 nan 8.270 nan 0.000 0.529 548 L N 1.212 122.532 121.223 0.162 0.000 2.275 548 L HA 0.342 4.683 4.340 0.001 0.000 0.288 548 L C -0.682 176.302 176.870 0.190 0.000 1.046 548 L CA 0.251 55.204 54.840 0.187 0.000 0.805 548 L CB 1.801 43.958 42.059 0.163 0.000 1.193 548 L HN -0.132 nan 8.230 nan 0.000 0.426 549 T N 6.627 121.270 114.554 0.148 0.000 2.794 549 T HA 0.610 4.960 4.350 0.001 0.000 0.280 549 T C -0.144 174.472 174.700 -0.139 0.000 0.987 549 T CA -0.255 61.865 62.100 0.033 0.000 0.993 549 T CB 0.810 69.698 68.868 0.034 0.000 0.939 549 T HN 0.582 nan 8.240 nan 0.000 0.449 550 I N 1.282 121.738 120.570 -0.189 0.000 2.562 550 I HA 0.692 4.862 4.170 0.001 0.000 0.301 550 I C -0.303 175.625 176.117 -0.315 0.000 1.003 550 I CA -0.795 60.352 61.300 -0.256 0.000 1.127 550 I CB 1.792 39.646 38.000 -0.242 0.000 1.304 550 I HN 0.488 nan 8.210 nan 0.000 0.446 551 N N 2.906 121.412 118.700 -0.323 0.000 2.277 551 N HA 0.744 5.485 4.740 0.001 0.000 0.286 551 N C -1.268 174.125 175.510 -0.195 0.000 1.140 551 N CA -0.415 52.488 53.050 -0.245 0.000 0.799 551 N CB 2.783 41.072 38.487 -0.329 0.000 1.596 551 N HN 1.086 nan 8.380 nan 0.000 0.473 552 G N -0.096 108.605 108.800 -0.166 0.000 2.646 552 G HA2 0.602 4.562 3.960 0.001 0.000 0.291 552 G HA3 0.602 4.562 3.960 0.001 0.000 0.291 552 G C -1.511 173.344 174.900 -0.076 0.000 1.445 552 G CA -0.611 44.330 45.100 -0.265 0.000 0.814 552 G HN 0.590 nan 8.290 nan 0.000 0.495 553 G N -0.894 107.907 108.800 0.002 0.000 2.542 553 G HA2 0.686 4.647 3.960 0.001 0.000 0.311 553 G HA3 0.686 4.647 3.960 0.001 0.000 0.311 553 G C 0.279 175.187 174.900 0.014 0.000 1.298 553 G CA 0.966 46.074 45.100 0.014 0.000 0.973 553 G HN 1.959 nan 8.290 nan 0.000 0.487 554 S N 1.141 116.815 115.700 -0.044 0.000 4.141 554 S HA -0.371 4.099 4.470 0.001 0.000 0.622 554 S C 1.974 176.440 174.600 -0.223 0.000 1.894 554 S CA 1.935 60.110 58.200 -0.042 0.000 4.238 554 S CB -1.512 61.759 63.200 0.118 0.000 0.205 554 S HN 1.352 nan 8.310 nan 0.000 0.486 555 N N 1.322 119.801 118.700 -0.368 0.000 2.289 555 N HA 0.024 4.765 4.740 0.001 0.000 0.184 555 N C 1.600 176.779 175.510 -0.551 0.000 1.016 555 N CA 2.371 55.115 53.050 -0.511 0.000 0.872 555 N CB -0.923 37.128 38.487 -0.726 0.000 0.973 555 N HN 0.642 nan 8.380 nan 0.000 0.433 556 G N -1.084 107.409 108.800 -0.512 0.000 2.484 556 G HA2 -0.069 3.891 3.960 0.001 0.000 0.218 556 G HA3 -0.069 3.891 3.960 0.001 0.000 0.218 556 G C 1.397 176.119 174.900 -0.296 0.000 1.130 556 G CA 0.548 45.417 45.100 -0.385 0.000 0.784 556 G HN 0.426 nan 8.290 nan 0.000 0.543 557 G N 1.019 109.692 108.800 -0.213 0.000 2.394 557 G HA2 -0.080 3.880 3.960 0.001 0.000 0.215 557 G HA3 -0.080 3.880 3.960 0.001 0.000 0.215 557 G C 1.705 176.490 174.900 -0.193 0.000 1.165 557 G CA 0.929 45.929 45.100 -0.167 0.000 0.784 557 G HN 0.411 nan 8.290 nan 0.000 0.535 558 L N 0.435 121.526 121.223 -0.220 0.000 2.012 558 L HA -0.017 4.324 4.340 0.001 0.000 0.210 558 L C 2.522 179.316 176.870 -0.126 0.000 1.073 558 L CA 1.881 56.602 54.840 -0.199 0.000 0.748 558 L CB -0.656 41.290 42.059 -0.188 0.000 0.891 558 L HN 0.190 nan 8.230 nan 0.000 0.431 559 L N -0.431 120.708 121.223 -0.139 0.000 1.990 559 L HA -0.175 4.165 4.340 0.001 0.000 0.213 559 L C 2.558 179.333 176.870 -0.159 0.000 1.072 559 L CA 2.491 57.275 54.840 -0.094 0.000 0.755 559 L CB -0.866 40.935 42.059 -0.431 0.000 0.889 559 L HN 0.360 nan 8.230 nan 0.000 0.432 560 V N -2.618 117.150 119.914 -0.244 0.000 2.548 560 V HA 0.001 4.122 4.120 0.001 0.000 0.249 560 V C 2.447 178.452 176.094 -0.148 0.000 1.055 560 V CA 1.261 63.435 62.300 -0.210 0.000 1.065 560 V CB -1.651 30.041 31.823 -0.219 0.000 0.681 560 V HN 0.462 nan 8.190 nan 0.000 0.462 561 A N 0.845 123.596 122.820 -0.115 0.000 1.898 561 A HA -0.119 4.202 4.320 0.001 0.000 0.216 561 A C 2.347 179.881 177.584 -0.082 0.000 1.181 561 A CA 2.479 54.497 52.037 -0.031 0.000 0.620 561 A CB -1.277 17.615 19.000 -0.180 0.000 0.819 561 A HN 0.534 nan 8.150 nan 0.000 0.442 562 T N -0.809 113.603 114.554 -0.236 0.000 2.746 562 T HA -0.170 4.180 4.350 0.001 0.000 0.267 562 T C 1.880 176.435 174.700 -0.243 0.000 1.039 562 T CA 1.568 63.444 62.100 -0.373 0.000 1.142 562 T CB -0.621 67.670 68.868 -0.962 0.000 0.866 562 T HN 0.563 nan 8.240 nan 0.000 0.444 563 C N 1.604 120.817 119.300 -0.146 0.000 2.422 563 C HA 0.093 4.553 4.460 0.001 0.000 0.279 563 C C 3.171 178.217 174.990 0.092 0.000 1.305 563 C CA 0.273 59.313 59.018 0.036 0.000 1.757 563 C CB -1.415 26.371 27.740 0.077 0.000 1.962 563 C HN 0.652 nan 8.230 nan 0.000 0.499 564 A N 1.298 124.100 122.820 -0.029 0.000 1.902 564 A HA -0.171 4.149 4.320 0.001 0.000 0.217 564 A C 1.938 179.404 177.584 -0.196 0.000 1.181 564 A CA 1.847 53.860 52.037 -0.040 0.000 0.623 564 A CB -0.527 18.466 19.000 -0.011 0.000 0.818 564 A HN 0.641 nan 8.150 nan 0.000 0.443 565 N N -0.167 118.494 118.700 -0.064 0.000 2.142 565 N HA -0.131 4.609 4.740 0.001 0.000 0.186 565 N C 1.908 177.396 175.510 -0.036 0.000 1.023 565 N CA 1.577 54.618 53.050 -0.015 0.000 0.852 565 N CB -0.380 38.173 38.487 0.110 0.000 0.998 565 N HN 0.679 nan 8.380 nan 0.000 0.424 566 Q N -0.386 119.402 119.800 -0.020 0.000 2.163 566 Q HA 0.132 4.473 4.340 0.001 0.000 0.198 566 Q C 0.113 176.121 176.000 0.013 0.000 0.954 566 Q CA 0.749 56.555 55.803 0.005 0.000 0.851 566 Q CB 0.501 29.243 28.738 0.005 0.000 0.928 566 Q HN 0.049 nan 8.270 nan 0.000 0.459 567 R N 0.435 120.961 120.500 0.043 0.000 2.653 567 R HA 0.186 4.526 4.340 0.001 0.000 0.269 567 R C -2.226 174.045 176.300 -0.048 0.000 1.603 567 R CA -1.487 54.605 56.100 -0.014 0.000 1.671 567 R CB 0.760 31.039 30.300 -0.034 0.000 1.300 567 R HN 0.122 nan 8.270 nan 0.000 0.668 568 P HA -0.157 nan 4.420 nan 0.000 0.222 568 P C 0.655 177.893 177.300 -0.103 0.000 1.147 568 P CA 1.110 64.122 63.100 -0.147 0.000 0.790 568 P CB 0.266 31.749 31.700 -0.361 0.000 0.780 569 D N -0.547 119.774 120.400 -0.132 0.000 2.350 569 D HA -0.121 4.519 4.640 0.001 0.000 0.216 569 D C 1.693 177.851 176.300 -0.238 0.000 0.968 569 D CA 0.450 54.369 54.000 -0.136 0.000 0.894 569 D CB -0.585 40.151 40.800 -0.107 0.000 0.909 569 D HN 0.119 nan 8.370 nan 0.000 0.520 570 L N -0.736 120.200 121.223 -0.479 0.000 2.446 570 L HA 0.253 4.593 4.340 0.001 0.000 0.219 570 L C -0.337 176.024 176.870 -0.849 0.000 1.116 570 L CA 0.483 54.838 54.840 -0.808 0.000 0.844 570 L CB -0.112 41.164 42.059 -1.305 0.000 0.970 570 L HN -0.170 nan 8.230 nan 0.000 0.457 571 F N -2.260 117.671 119.950 -0.032 0.000 2.551 571 F HA 0.563 5.090 4.527 0.001 0.000 0.316 571 F C 1.264 177.068 175.800 0.005 0.000 1.089 571 F CA -0.746 57.245 58.000 -0.016 0.000 0.915 571 F CB 1.190 40.180 39.000 -0.017 0.000 1.186 571 F HN -0.264 nan 8.300 nan 0.000 0.456 572 G N -0.176 108.743 108.800 0.199 0.000 2.492 572 G HA2 0.100 4.061 3.960 0.001 0.000 0.214 572 G HA3 0.100 4.061 3.960 0.001 0.000 0.214 572 G C -0.322 174.666 174.900 0.147 0.000 1.147 572 G CA 0.489 45.673 45.100 0.139 0.000 0.809 572 G HN 0.644 nan 8.290 nan 0.000 0.533 573 C N -0.293 119.108 119.300 0.169 0.000 2.880 573 C HA 0.702 5.163 4.460 0.001 0.000 0.320 573 C C -1.366 173.699 174.990 0.125 0.000 1.176 573 C CA -0.671 58.445 59.018 0.164 0.000 1.390 573 C CB 1.173 28.999 27.740 0.144 0.000 1.846 573 C HN 0.102 nan 8.230 nan 0.000 0.478 574 V N 6.367 126.366 119.914 0.143 0.000 2.577 574 V HA 0.532 4.653 4.120 0.001 0.000 0.303 574 V C -0.538 175.578 176.094 0.037 0.000 1.042 574 V CA -0.249 62.062 62.300 0.018 0.000 0.872 574 V CB 1.734 33.553 31.823 -0.007 0.000 0.998 574 V HN 0.741 nan 8.190 nan 0.000 0.423 575 I N 4.205 124.750 120.570 -0.041 0.000 2.382 575 I HA 0.686 4.856 4.170 0.001 0.000 0.285 575 I C 0.253 176.328 176.117 -0.071 0.000 1.007 575 I CA -0.521 60.740 61.300 -0.065 0.000 1.142 575 I CB 1.767 39.728 38.000 -0.064 0.000 1.289 575 I HN 0.672 nan 8.210 nan 0.000 0.453 576 A N 6.634 129.421 122.820 -0.054 0.000 2.256 576 A HA 0.569 4.889 4.320 0.001 0.000 0.317 576 A C -0.419 177.144 177.584 -0.035 0.000 1.318 576 A CA -0.480 51.531 52.037 -0.045 0.000 0.894 576 A CB 0.511 19.509 19.000 -0.004 0.000 1.165 576 A HN 0.716 nan 8.150 nan 0.000 0.525 577 Q N 1.375 121.153 119.800 -0.036 0.000 2.257 577 Q HA 0.430 4.771 4.340 0.001 0.000 0.255 577 Q C 0.528 176.503 176.000 -0.041 0.000 0.920 577 Q CA -0.232 55.552 55.803 -0.031 0.000 0.927 577 Q CB 1.972 30.698 28.738 -0.020 0.000 1.229 577 Q HN 1.542 nan 8.270 nan 0.000 0.433 578 V N -0.119 119.784 119.914 -0.019 0.000 5.359 578 V HA -0.234 3.887 4.120 0.001 0.000 0.278 578 V C 0.195 176.304 176.094 0.025 0.000 0.622 578 V CA 0.884 63.199 62.300 0.024 0.000 0.649 578 V CB -2.338 29.473 31.823 -0.020 0.000 0.408 578 V HN 0.828 nan 8.190 nan 0.000 0.918 579 G N -0.038 108.750 108.800 -0.021 0.000 2.420 579 G HA2 0.588 4.549 3.960 0.001 0.000 0.284 579 G HA3 0.588 4.549 3.960 0.001 0.000 0.284 579 G C -0.317 174.475 174.900 -0.179 0.000 1.177 579 G CA -0.283 44.754 45.100 -0.106 0.000 0.841 579 G HN 1.221 nan 8.290 nan 0.000 0.527 580 V N 3.680 123.407 119.914 -0.312 0.000 2.408 580 V HA 0.148 4.268 4.120 0.001 0.000 0.267 580 V C 0.553 176.446 176.094 -0.334 0.000 1.047 580 V CA -0.269 61.725 62.300 -0.510 0.000 0.937 580 V CB 1.234 32.756 31.823 -0.503 0.000 0.999 580 V HN 0.730 nan 8.190 nan 0.000 0.472 581 M N 1.293 120.801 119.600 -0.154 0.000 2.564 581 M HA 0.272 4.752 4.480 0.001 0.000 0.254 581 M C 0.573 176.879 176.300 0.010 0.000 1.299 581 M CA 0.314 55.510 55.300 -0.173 0.000 1.143 581 M CB -0.144 32.284 32.600 -0.287 0.000 1.427 581 M HN 0.584 nan 8.290 nan 0.000 0.538 582 D N 1.910 122.548 120.400 0.397 0.000 2.479 582 D HA 0.203 4.844 4.640 0.001 0.000 0.218 582 D C 0.798 177.365 176.300 0.446 0.000 1.131 582 D CA 0.004 54.208 54.000 0.339 0.000 0.916 582 D CB 0.772 41.728 40.800 0.260 0.000 1.022 582 D HN -0.037 nan 8.370 nan 0.000 0.515 583 M N 2.843 122.610 119.600 0.279 0.000 2.557 583 M HA -0.003 4.477 4.480 0.001 0.000 0.259 583 M C 1.573 178.099 176.300 0.377 0.000 1.086 583 M CA 0.504 55.987 55.300 0.306 0.000 1.096 583 M CB -0.243 32.306 32.600 -0.085 0.000 1.424 583 M HN 0.452 nan 8.290 nan 0.000 0.488 584 L N -0.773 120.585 121.223 0.226 0.000 2.375 584 L HA -0.076 4.265 4.340 0.001 0.000 0.215 584 L C 1.735 178.769 176.870 0.274 0.000 1.108 584 L CA 0.780 55.696 54.840 0.127 0.000 0.830 584 L CB -0.201 41.754 42.059 -0.174 0.000 0.959 584 L HN 0.258 nan 8.230 nan 0.000 0.457 585 K N -0.451 120.111 120.400 0.270 0.000 2.402 585 K HA 0.108 4.429 4.320 0.001 0.000 0.204 585 K C 1.594 178.156 176.600 -0.063 0.000 1.056 585 K CA -0.036 56.283 56.287 0.053 0.000 1.069 585 K CB 0.431 33.014 32.500 0.137 0.000 0.888 585 K HN 0.129 nan 8.250 nan 0.000 0.546 586 F N 1.710 121.871 119.950 0.351 0.000 2.250 586 F HA -0.207 4.320 4.527 0.001 0.000 0.301 586 F C 2.094 177.974 175.800 0.134 0.000 1.077 586 F CA 1.209 59.490 58.000 0.467 0.000 1.348 586 F CB -0.841 38.513 39.000 0.590 0.000 1.040 586 F HN 0.110 nan 8.300 nan 0.000 0.509 587 H N 0.488 119.050 119.070 -0.846 0.000 2.546 587 H HA 0.121 4.677 4.556 0.001 0.000 0.277 587 H C 1.194 176.295 175.328 -0.378 0.000 1.004 587 H CA 0.931 56.626 56.048 -0.589 0.000 1.231 587 H CB -0.654 28.718 29.762 -0.651 0.000 1.382 587 H HN 0.404 nan 8.280 nan 0.000 0.580 588 K N 0.205 119.962 120.400 -1.072 0.000 2.366 588 K HA 0.022 4.342 4.320 0.001 0.000 0.198 588 K C -0.409 175.737 176.600 -0.756 0.000 1.044 588 K CA 0.489 56.166 56.287 -1.016 0.000 0.973 588 K CB 0.203 31.862 32.500 -1.402 0.000 0.767 588 K HN 0.230 nan 8.250 nan 0.000 0.475 589 Y N 0.521 120.745 120.300 -0.127 0.000 2.429 589 Y HA 0.069 4.620 4.550 0.001 0.000 0.342 589 Y C 1.338 177.188 175.900 -0.084 0.000 1.004 589 Y CA -1.030 57.033 58.100 -0.062 0.000 1.075 589 Y CB 1.219 39.673 38.460 -0.010 0.000 1.214 589 Y HN 0.181 nan 8.280 nan 0.000 0.455 590 T N -0.329 114.291 114.554 0.109 0.000 12.544 590 T HA -0.402 3.949 4.350 0.001 0.000 0.384 590 T C 0.829 175.472 174.700 -0.094 0.000 1.479 590 T CA 1.879 63.985 62.100 0.011 0.000 2.168 590 T CB -1.124 67.760 68.868 0.026 0.000 2.571 590 T HN 0.621 nan 8.240 nan 0.000 0.480 591 I N 2.584 123.026 120.570 -0.213 0.000 3.928 591 I HA 0.499 4.669 4.170 0.001 0.000 0.335 591 I C 2.211 177.722 176.117 -1.010 0.000 1.325 591 I CA 0.533 61.520 61.300 -0.522 0.000 1.107 591 I CB -0.621 37.161 38.000 -0.362 0.000 1.014 591 I HN 0.764 nan 8.210 nan 0.000 0.400 592 G N 0.395 108.608 108.800 -0.978 0.000 2.462 592 G HA2 -0.351 3.609 3.960 0.001 0.000 0.220 592 G HA3 -0.351 3.609 3.960 0.001 0.000 0.220 592 G C 1.431 175.909 174.900 -0.703 0.000 1.121 592 G CA 1.342 45.573 45.100 -1.448 0.000 0.758 592 G HN 0.702 nan 8.290 nan 0.000 0.559 593 H N -0.226 118.639 119.070 -0.342 0.000 2.457 593 H HA 0.244 4.801 4.556 0.001 0.000 0.297 593 H C 2.357 177.641 175.328 -0.073 0.000 1.092 593 H CA 1.214 57.189 56.048 -0.121 0.000 1.309 593 H CB -0.558 29.150 29.762 -0.089 0.000 1.382 593 H HN 0.282 nan 8.280 nan 0.000 0.535 594 A N 0.646 123.183 122.820 -0.471 0.000 2.119 594 A HA -0.053 4.268 4.320 0.001 0.000 0.217 594 A C 1.188 178.858 177.584 0.143 0.000 1.153 594 A CA 0.826 52.763 52.037 -0.168 0.000 0.692 594 A CB -0.708 18.101 19.000 -0.318 0.000 0.799 594 A HN 0.604 nan 8.150 nan 0.000 0.458 595 W N 0.655 122.080 121.300 0.209 0.000 3.180 595 W HA 0.063 4.723 4.660 0.001 0.000 0.254 595 W C 2.031 178.685 176.519 0.226 0.000 1.318 595 W CA 0.871 58.351 57.345 0.225 0.000 1.608 595 W CB -1.678 27.862 29.460 0.133 0.000 1.124 595 W HN 0.530 nan 8.180 nan 0.000 0.694 596 T N -2.192 112.684 114.554 0.536 0.000 2.977 596 T HA -0.196 4.154 4.350 0.001 0.000 0.271 596 T C 1.756 176.595 174.700 0.231 0.000 1.105 596 T CA 1.944 64.326 62.100 0.470 0.000 1.116 596 T CB -0.708 68.377 68.868 0.362 0.000 0.878 596 T HN 0.149 nan 8.240 nan 0.000 0.509 597 T N -0.899 113.734 114.554 0.132 0.000 2.915 597 T HA -0.056 4.294 4.350 0.001 0.000 0.269 597 T C 1.415 176.037 174.700 -0.130 0.000 1.071 597 T CA 1.339 63.446 62.100 0.012 0.000 1.132 597 T CB -0.385 68.489 68.868 0.009 0.000 0.878 597 T HN 0.327 nan 8.240 nan 0.000 0.479 598 D N -0.255 119.970 120.400 -0.292 0.000 2.262 598 D HA 0.152 4.793 4.640 0.001 0.000 0.212 598 D C 1.233 177.368 176.300 -0.275 0.000 0.964 598 D CA 0.572 54.232 54.000 -0.566 0.000 0.875 598 D CB 0.020 39.989 40.800 -1.384 0.000 0.996 598 D HN 0.422 nan 8.370 nan 0.000 0.497 599 Y N 0.026 120.341 120.300 0.025 0.000 2.509 599 Y HA 0.398 4.948 4.550 0.001 0.000 0.270 599 Y C 1.555 177.617 175.900 0.271 0.000 1.103 599 Y CA 0.359 58.541 58.100 0.137 0.000 1.278 599 Y CB -0.011 38.519 38.460 0.117 0.000 1.087 599 Y HN -0.051 nan 8.280 nan 0.000 0.542 600 G N -0.311 108.719 108.800 0.383 0.000 2.728 600 G HA2 -0.167 3.793 3.960 0.001 0.000 0.294 600 G HA3 -0.167 3.793 3.960 0.001 0.000 0.294 600 G C -1.057 174.149 174.900 0.509 0.000 1.342 600 G CA -0.884 44.377 45.100 0.269 0.000 0.866 600 G HN 0.476 nan 8.290 nan 0.000 0.534 601 C N -0.165 119.438 119.300 0.506 0.000 2.686 601 C HA 0.746 5.206 4.460 0.001 0.000 0.318 601 C C 1.873 176.907 174.990 0.073 0.000 1.160 601 C CA 0.717 59.818 59.018 0.139 0.000 1.396 601 C CB 0.925 28.632 27.740 -0.055 0.000 1.924 601 C HN 2.100 nan 8.230 nan 0.000 0.471 602 S N 1.770 117.471 115.700 0.002 0.000 2.507 602 S HA -0.115 4.356 4.470 0.001 0.000 0.235 602 S C 0.855 175.623 174.600 0.280 0.000 0.988 602 S CA 1.539 59.868 58.200 0.215 0.000 0.944 602 S CB -0.276 63.107 63.200 0.305 0.000 0.762 602 S HN 0.863 nan 8.310 nan 0.000 0.526 603 D N 1.934 122.361 120.400 0.046 0.000 2.263 603 D HA 0.016 4.656 4.640 0.001 0.000 0.208 603 D C 0.894 177.245 176.300 0.085 0.000 0.971 603 D CA 0.805 54.839 54.000 0.057 0.000 0.867 603 D CB -0.242 40.517 40.800 -0.069 0.000 0.929 603 D HN 0.516 nan 8.370 nan 0.000 0.492 604 S N 0.137 115.769 115.700 -0.113 0.000 2.499 604 S HA 0.136 4.606 4.470 0.001 0.000 0.279 604 S C 1.040 175.290 174.600 -0.583 0.000 1.219 604 S CA -0.734 57.236 58.200 -0.383 0.000 1.062 604 S CB 1.912 64.634 63.200 -0.797 0.000 0.978 604 S HN -0.032 nan 8.310 nan 0.000 0.489 605 K N 3.228 123.078 120.400 -0.916 0.000 2.063 605 K HA -0.185 4.135 4.320 0.001 0.000 0.208 605 K C 2.074 178.404 176.600 -0.449 0.000 1.048 605 K CA 1.681 57.373 56.287 -0.991 0.000 0.928 605 K CB -0.248 31.854 32.500 -0.664 0.000 0.713 605 K HN 0.850 nan 8.250 nan 0.000 0.442 606 Q N -0.127 119.410 119.800 -0.438 0.000 2.050 606 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 606 Q C 1.788 177.310 176.000 -0.797 0.000 0.980 606 Q CA 1.813 57.344 55.803 -0.452 0.000 0.840 606 Q CB -0.116 28.413 28.738 -0.348 0.000 0.898 606 Q HN 0.636 nan 8.270 nan 0.000 0.424 607 H N -1.210 117.309 119.070 -0.919 0.000 2.389 607 H HA -0.124 4.432 4.556 0.001 0.000 0.299 607 H C 1.933 176.989 175.328 -0.453 0.000 1.081 607 H CA 0.781 56.210 56.048 -1.032 0.000 1.345 607 H CB -0.120 29.365 29.762 -0.461 0.000 1.393 607 H HN 0.311 nan 8.280 nan 0.000 0.520 608 F N 2.564 122.361 119.950 -0.256 0.000 2.120 608 F HA -0.227 4.301 4.527 0.001 0.000 0.300 608 F C 2.176 177.867 175.800 -0.182 0.000 1.095 608 F CA 1.316 59.212 58.000 -0.174 0.000 1.249 608 F CB 0.023 38.980 39.000 -0.073 0.000 0.995 608 F HN 0.028 nan 8.300 nan 0.000 0.480 609 E N -0.215 119.890 120.200 -0.158 0.000 2.150 609 E HA -0.202 4.149 4.350 0.001 0.000 0.193 609 E C 2.133 178.699 176.600 -0.055 0.000 0.985 609 E CA 1.155 57.480 56.400 -0.127 0.000 0.814 609 E CB -0.639 29.062 29.700 0.002 0.000 0.752 609 E HN 0.564 nan 8.360 nan 0.000 0.466 610 W N 0.936 122.201 121.300 -0.058 0.000 2.378 610 W HA 0.002 4.662 4.660 0.001 0.000 0.313 610 W C 2.308 178.739 176.519 -0.146 0.000 1.197 610 W CA 0.232 57.572 57.345 -0.008 0.000 1.304 610 W CB -1.354 28.154 29.460 0.080 0.000 1.148 610 W HN 0.044 nan 8.180 nan 0.000 0.494 611 L N -0.179 121.005 121.223 -0.065 0.000 2.046 611 L HA -0.219 4.122 4.340 0.001 0.000 0.208 611 L C 2.403 178.860 176.870 -0.688 0.000 1.077 611 L CA 1.008 55.543 54.840 -0.509 0.000 0.747 611 L CB -1.022 40.845 42.059 -0.320 0.000 0.896 611 L HN -0.145 nan 8.230 nan 0.000 0.432 612 I N -0.041 120.088 120.570 -0.734 0.000 2.454 612 I HA -0.250 3.920 4.170 0.001 0.000 0.254 612 I C 2.264 178.165 176.117 -0.359 0.000 1.156 612 I CA 1.556 62.415 61.300 -0.735 0.000 1.433 612 I CB -0.298 36.988 38.000 -1.190 0.000 1.082 612 I HN 0.111 nan 8.210 nan 0.000 0.432 613 K N -0.790 119.475 120.400 -0.224 0.000 2.288 613 K HA -0.117 4.204 4.320 0.001 0.000 0.201 613 K C 1.217 177.836 176.600 0.032 0.000 1.048 613 K CA 1.558 57.827 56.287 -0.030 0.000 0.956 613 K CB -0.052 32.499 32.500 0.085 0.000 0.746 613 K HN 0.629 nan 8.250 nan 0.000 0.461 614 Y N -2.737 117.517 120.300 -0.077 0.000 2.448 614 Y HA 0.323 4.874 4.550 0.001 0.000 0.257 614 Y C 0.401 176.186 175.900 -0.190 0.000 1.089 614 Y CA -0.838 57.163 58.100 -0.166 0.000 1.245 614 Y CB -0.062 38.302 38.460 -0.160 0.000 1.282 614 Y HN -0.255 nan 8.280 nan 0.000 0.529 615 S N 3.906 119.389 115.700 -0.362 0.000 2.629 615 S HA 0.050 4.520 4.470 0.001 0.000 0.302 615 S C -1.452 173.082 174.600 -0.109 0.000 1.244 615 S CA -0.704 57.369 58.200 -0.210 0.000 1.098 615 S CB 0.594 63.752 63.200 -0.070 0.000 0.858 615 S HN 0.227 nan 8.310 nan 0.000 0.502 616 P HA -0.112 nan 4.420 nan 0.000 0.215 616 P C 1.511 178.686 177.300 -0.210 0.000 1.153 616 P CA 0.497 63.391 63.100 -0.342 0.000 0.853 616 P CB 0.062 31.244 31.700 -0.864 0.000 0.788 617 L N -1.258 119.797 121.223 -0.279 0.000 2.191 617 L HA -0.146 4.194 4.340 0.001 0.000 0.212 617 L C 1.311 177.967 176.870 -0.358 0.000 1.103 617 L CA 2.060 56.757 54.840 -0.239 0.000 0.769 617 L CB -1.122 40.678 42.059 -0.432 0.000 0.908 617 L HN 0.102 nan 8.230 nan 0.000 0.438 618 H N -1.974 117.112 119.070 0.027 0.000 2.594 618 H HA 0.327 4.883 4.556 0.001 0.000 0.279 618 H C 0.529 175.878 175.328 0.035 0.000 1.042 618 H CA 0.137 56.194 56.048 0.015 0.000 1.177 618 H CB 0.151 29.870 29.762 -0.072 0.000 1.524 618 H HN 0.279 nan 8.280 nan 0.000 0.537 619 N N 0.613 119.384 118.700 0.118 0.000 2.305 619 N HA 0.086 4.826 4.740 0.001 0.000 0.248 619 N C -0.768 174.848 175.510 0.178 0.000 1.290 619 N CA 0.117 53.241 53.050 0.124 0.000 0.873 619 N CB 1.972 40.505 38.487 0.075 0.000 1.261 619 N HN -0.022 nan 8.380 nan 0.000 0.504 620 V N 1.742 121.769 119.914 0.188 0.000 2.446 620 V HA 0.149 4.269 4.120 0.001 0.000 0.276 620 V C 0.425 176.591 176.094 0.120 0.000 1.030 620 V CA 0.351 62.759 62.300 0.179 0.000 1.033 620 V CB 0.546 32.422 31.823 0.088 0.000 0.993 620 V HN 0.117 nan 8.190 nan 0.000 0.477 621 K N 5.023 125.519 120.400 0.162 0.000 2.550 621 K HA 0.453 4.773 4.320 0.001 0.000 0.252 621 K C -0.997 175.691 176.600 0.147 0.000 0.943 621 K CA -0.878 55.481 56.287 0.120 0.000 0.806 621 K CB 1.660 34.242 32.500 0.137 0.000 1.289 621 K HN 0.532 nan 8.250 nan 0.000 0.435 622 L N 5.066 126.321 121.223 0.053 0.000 2.578 622 L HA 0.076 4.416 4.340 0.001 0.000 0.279 622 L C -1.972 174.977 176.870 0.133 0.000 1.227 622 L CA -1.328 53.552 54.840 0.066 0.000 0.900 622 L CB 0.056 42.124 42.059 0.015 0.000 1.144 622 L HN 0.483 nan 8.230 nan 0.000 0.496 623 P HA 0.034 nan 4.420 nan 0.000 0.268 623 P C 0.199 177.546 177.300 0.078 0.000 1.205 623 P CA -0.149 63.029 63.100 0.131 0.000 0.771 623 P CB 0.638 32.415 31.700 0.128 0.000 0.858 624 E N 1.764 122.000 120.200 0.060 0.000 2.077 624 E HA -0.097 4.253 4.350 0.001 0.000 0.193 624 E C 0.638 177.258 176.600 0.033 0.000 0.989 624 E CA 0.703 57.129 56.400 0.042 0.000 0.800 624 E CB -0.109 29.613 29.700 0.037 0.000 0.746 624 E HN 0.542 nan 8.360 nan 0.000 0.452 625 A N 1.734 124.572 122.820 0.031 0.000 2.450 625 A HA -0.017 4.303 4.320 0.001 0.000 0.255 625 A C 0.362 177.961 177.584 0.025 0.000 1.096 625 A CA -0.303 51.748 52.037 0.023 0.000 0.778 625 A CB 0.371 19.381 19.000 0.016 0.000 1.031 625 A HN -0.011 nan 8.150 nan 0.000 0.494 626 D N 1.167 121.579 120.400 0.019 0.000 2.182 626 D HA -0.149 4.491 4.640 0.001 0.000 0.201 626 D C 1.094 177.405 176.300 0.019 0.000 0.986 626 D CA 1.877 55.888 54.000 0.018 0.000 0.847 626 D CB 0.013 40.821 40.800 0.012 0.000 0.942 626 D HN 0.785 nan 8.370 nan 0.000 0.467 627 D N -0.281 120.129 120.400 0.016 0.000 2.340 627 D HA -0.034 4.606 4.640 0.001 0.000 0.220 627 D C 0.546 176.858 176.300 0.019 0.000 1.039 627 D CA -0.033 53.975 54.000 0.014 0.000 0.866 627 D CB 0.021 40.825 40.800 0.007 0.000 0.913 627 D HN 0.213 nan 8.370 nan 0.000 0.523 628 I N 1.432 122.019 120.570 0.028 0.000 2.378 628 I HA 0.228 4.398 4.170 0.001 0.000 0.291 628 I C 0.091 176.250 176.117 0.070 0.000 0.992 628 I CA -0.849 60.474 61.300 0.037 0.000 1.154 628 I CB 1.642 39.657 38.000 0.026 0.000 1.315 628 I HN -0.031 nan 8.210 nan 0.000 0.448 629 Q N 4.666 124.518 119.800 0.087 0.000 2.572 629 Q HA 0.494 4.834 4.340 0.001 0.000 0.284 629 Q C -1.387 174.745 176.000 0.219 0.000 1.091 629 Q CA -0.919 54.973 55.803 0.149 0.000 0.840 629 Q CB 1.414 30.220 28.738 0.112 0.000 1.433 629 Q HN 0.352 nan 8.270 nan 0.000 0.471 630 Y N 1.266 121.590 120.300 0.041 0.000 2.379 630 Y HA 0.236 4.787 4.550 0.001 0.000 0.337 630 Y C -1.935 174.011 175.900 0.077 0.000 1.238 630 Y CA -1.819 56.317 58.100 0.059 0.000 1.405 630 Y CB 0.208 38.691 38.460 0.039 0.000 1.310 630 Y HN 0.540 nan 8.280 nan 0.000 0.569 631 P HA -0.003 nan 4.420 nan 0.000 0.271 631 P C -0.591 176.827 177.300 0.198 0.000 1.233 631 P CA -0.171 63.028 63.100 0.165 0.000 0.789 631 P CB 0.456 32.261 31.700 0.175 0.000 0.951 632 S N 1.078 116.881 115.700 0.172 0.000 2.537 632 S HA 0.179 4.650 4.470 0.001 0.000 0.286 632 S C 0.382 175.196 174.600 0.356 0.000 1.299 632 S CA 0.283 58.615 58.200 0.219 0.000 1.067 632 S CB -0.625 62.599 63.200 0.040 0.000 0.864 632 S HN 0.303 nan 8.310 nan 0.000 0.494 633 M N 3.431 123.267 119.600 0.394 0.000 2.327 633 M HA 0.481 4.962 4.480 0.001 0.000 0.298 633 M C -1.326 174.972 176.300 -0.003 0.000 1.065 633 M CA -0.735 54.700 55.300 0.224 0.000 0.916 633 M CB 1.888 34.551 32.600 0.105 0.000 1.630 633 M HN 0.423 nan 8.290 nan 0.000 0.442 634 L N 4.724 125.780 121.223 -0.278 0.000 2.376 634 L HA 0.652 4.992 4.340 0.001 0.000 0.275 634 L C -1.727 174.990 176.870 -0.255 0.000 0.987 634 L CA -0.299 54.198 54.840 -0.572 0.000 0.828 634 L CB 1.457 42.791 42.059 -1.210 0.000 1.249 634 L HN 0.672 nan 8.230 nan 0.000 0.409 635 L N 6.162 127.286 121.223 -0.165 0.000 2.295 635 L HA 0.525 4.865 4.340 0.001 0.000 0.285 635 L C -0.796 176.040 176.870 -0.056 0.000 1.035 635 L CA -0.607 54.197 54.840 -0.059 0.000 0.806 635 L CB 1.416 43.482 42.059 0.012 0.000 1.214 635 L HN 0.518 nan 8.230 nan 0.000 0.426 636 L N 3.023 124.226 121.223 -0.033 0.000 2.333 636 L HA 0.664 5.004 4.340 0.001 0.000 0.280 636 L C -0.003 176.865 176.870 -0.003 0.000 1.004 636 L CA -0.064 54.769 54.840 -0.013 0.000 0.820 636 L CB 1.967 44.020 42.059 -0.010 0.000 1.247 636 L HN 0.625 nan 8.230 nan 0.000 0.416 637 T N 1.723 116.270 114.554 -0.011 0.000 2.681 637 T HA 0.907 5.257 4.350 0.001 0.000 0.296 637 T C -1.765 172.925 174.700 -0.017 0.000 1.157 637 T CA -0.180 61.926 62.100 0.010 0.000 1.025 637 T CB 2.084 70.977 68.868 0.041 0.000 1.441 637 T HN 0.722 nan 8.240 nan 0.000 0.504 638 A N 0.695 123.528 122.820 0.022 0.000 2.594 638 A HA 0.604 4.925 4.320 0.001 0.000 0.295 638 A C 0.067 177.691 177.584 0.067 0.000 1.071 638 A CA -0.030 52.022 52.037 0.025 0.000 0.685 638 A CB 1.305 20.334 19.000 0.049 0.000 1.285 638 A HN 0.858 nan 8.150 nan 0.000 0.405 639 D N -0.448 120.003 120.400 0.085 0.000 2.348 639 D HA -0.057 4.583 4.640 0.001 0.000 0.216 639 D C 0.439 176.745 176.300 0.010 0.000 0.970 639 D CA 1.516 55.548 54.000 0.053 0.000 0.889 639 D CB -0.242 40.580 40.800 0.038 0.000 0.912 639 D HN 0.589 nan 8.370 nan 0.000 0.524 640 H N -0.514 118.585 119.070 0.049 0.000 2.469 640 H HA 0.226 4.782 4.556 0.001 0.000 0.286 640 H C -0.576 174.803 175.328 0.084 0.000 1.106 640 H CA -0.680 55.410 56.048 0.069 0.000 1.055 640 H CB 0.087 29.892 29.762 0.072 0.000 1.618 640 H HN -0.021 nan 8.280 nan 0.000 0.559 641 D N 1.766 122.268 120.400 0.171 0.000 2.455 641 D HA -0.046 4.594 4.640 0.001 0.000 0.234 641 D C 0.357 176.738 176.300 0.134 0.000 1.224 641 D CA -0.048 54.057 54.000 0.175 0.000 0.999 641 D CB 0.204 41.125 40.800 0.201 0.000 1.072 641 D HN 0.433 nan 8.370 nan 0.000 0.514 642 D N 1.945 122.413 120.400 0.114 0.000 2.340 642 D HA -0.067 4.574 4.640 0.001 0.000 0.220 642 D C 1.600 177.944 176.300 0.072 0.000 1.039 642 D CA -0.061 53.984 54.000 0.075 0.000 0.866 642 D CB 0.180 41.004 40.800 0.041 0.000 0.913 642 D HN 0.189 nan 8.370 nan 0.000 0.523 643 R N 0.586 121.116 120.500 0.050 0.000 2.052 643 R HA 0.119 4.459 4.340 0.001 0.000 0.226 643 R C 0.080 176.469 176.300 0.147 0.000 1.145 643 R CA 0.930 57.028 56.100 -0.003 0.000 0.952 643 R CB -0.164 29.889 30.300 -0.410 0.000 0.847 643 R HN 0.036 nan 8.270 nan 0.000 0.431 644 V N 3.227 123.185 119.914 0.073 0.000 2.284 644 V HA 0.255 4.375 4.120 0.001 0.000 0.274 644 V C -0.512 175.745 176.094 0.272 0.000 1.023 644 V CA -1.034 61.417 62.300 0.252 0.000 0.808 644 V CB 1.117 33.002 31.823 0.103 0.000 1.035 644 V HN 0.237 nan 8.190 nan 0.000 0.445 645 V N 4.519 124.616 119.914 0.306 0.000 2.694 645 V HA 0.158 4.278 4.120 0.001 0.000 0.306 645 V C -0.791 175.382 176.094 0.131 0.000 1.054 645 V CA -0.629 61.755 62.300 0.141 0.000 1.161 645 V CB 0.291 32.099 31.823 -0.026 0.000 0.916 645 V HN 0.643 nan 8.190 nan 0.000 0.490 646 P HA -0.092 nan 4.420 nan 0.000 0.230 646 P C 1.539 178.833 177.300 -0.011 0.000 1.158 646 P CA 0.907 64.037 63.100 0.049 0.000 0.769 646 P CB 0.017 31.733 31.700 0.027 0.000 0.807 647 L N -2.512 118.635 121.223 -0.127 0.000 2.189 647 L HA -0.178 4.163 4.340 0.001 0.000 0.214 647 L C 2.422 179.179 176.870 -0.190 0.000 1.097 647 L CA 1.932 56.631 54.840 -0.234 0.000 0.764 647 L CB -2.331 39.494 42.059 -0.389 0.000 0.900 647 L HN -0.029 nan 8.230 nan 0.000 0.436 648 H N 0.305 119.349 119.070 -0.044 0.000 2.290 648 H HA -0.077 4.479 4.556 0.001 0.000 0.298 648 H C 2.398 177.739 175.328 0.023 0.000 1.087 648 H CA 1.932 57.983 56.048 0.004 0.000 1.291 648 H CB -0.178 29.609 29.762 0.042 0.000 1.369 648 H HN 0.497 nan 8.280 nan 0.000 0.492 649 S N 0.618 116.419 115.700 0.168 0.000 2.406 649 S HA -0.036 4.434 4.470 0.001 0.000 0.228 649 S C 2.503 177.164 174.600 0.102 0.000 1.020 649 S CA 0.365 58.660 58.200 0.157 0.000 0.965 649 S CB -0.123 63.147 63.200 0.117 0.000 0.798 649 S HN 0.228 nan 8.310 nan 0.000 0.488 650 L N 1.246 122.481 121.223 0.019 0.000 2.017 650 L HA -0.137 4.203 4.340 0.001 0.000 0.208 650 L C 2.429 179.166 176.870 -0.221 0.000 1.073 650 L CA 1.329 56.135 54.840 -0.058 0.000 0.745 650 L CB -0.591 41.327 42.059 -0.236 0.000 0.894 650 L HN 0.255 nan 8.230 nan 0.000 0.432 651 K N -0.630 119.639 120.400 -0.219 0.000 2.097 651 K HA -0.165 4.155 4.320 0.001 0.000 0.205 651 K C 2.133 178.699 176.600 -0.058 0.000 1.050 651 K CA 1.196 57.354 56.287 -0.215 0.000 0.938 651 K CB -0.243 32.178 32.500 -0.132 0.000 0.718 651 K HN 0.082 nan 8.250 nan 0.000 0.442 652 F N 1.907 121.779 119.950 -0.130 0.000 2.113 652 F HA -0.152 4.375 4.527 0.001 0.000 0.297 652 F C 2.050 177.787 175.800 -0.107 0.000 1.103 652 F CA 0.707 58.650 58.000 -0.094 0.000 1.248 652 F CB -0.367 38.604 39.000 -0.048 0.000 0.999 652 F HN -0.145 nan 8.300 nan 0.000 0.475 653 I N 0.515 120.998 120.570 -0.146 0.000 2.394 653 I HA -0.132 4.038 4.170 0.001 0.000 0.251 653 I C 2.410 178.373 176.117 -0.256 0.000 1.136 653 I CA 1.472 62.620 61.300 -0.253 0.000 1.425 653 I CB -1.008 36.923 38.000 -0.114 0.000 1.079 653 I HN 0.139 nan 8.210 nan 0.000 0.425 654 A N -0.923 121.747 122.820 -0.250 0.000 1.902 654 A HA -0.212 4.109 4.320 0.001 0.000 0.217 654 A C 2.345 179.642 177.584 -0.478 0.000 1.181 654 A CA 2.448 54.188 52.037 -0.494 0.000 0.623 654 A CB -1.283 16.996 19.000 -1.201 0.000 0.818 654 A HN 0.448 nan 8.150 nan 0.000 0.443 655 T N 0.355 114.721 114.554 -0.314 0.000 2.737 655 T HA -0.044 4.307 4.350 0.001 0.000 0.265 655 T C 1.840 176.470 174.700 -0.117 0.000 1.038 655 T CA 1.356 63.447 62.100 -0.015 0.000 1.144 655 T CB -0.377 68.543 68.868 0.086 0.000 0.866 655 T HN 0.347 nan 8.240 nan 0.000 0.434 656 L N 0.783 121.810 121.223 -0.327 0.000 2.012 656 L HA -0.188 4.152 4.340 0.001 0.000 0.210 656 L C 2.922 179.573 176.870 -0.365 0.000 1.073 656 L CA 1.535 56.125 54.840 -0.416 0.000 0.748 656 L CB -0.549 41.167 42.059 -0.571 0.000 0.891 656 L HN 0.315 nan 8.230 nan 0.000 0.431 657 Q N -1.625 117.940 119.800 -0.391 0.000 2.167 657 Q HA -0.235 4.106 4.340 0.001 0.000 0.202 657 Q C 2.000 177.869 176.000 -0.218 0.000 0.970 657 Q CA 1.683 57.178 55.803 -0.515 0.000 0.855 657 Q CB -0.132 28.203 28.738 -0.673 0.000 0.911 657 Q HN 0.481 nan 8.270 nan 0.000 0.438 658 Y N 0.635 120.829 120.300 -0.177 0.000 2.176 658 Y HA -0.149 4.402 4.550 0.001 0.000 0.291 658 Y C 1.887 177.757 175.900 -0.051 0.000 1.122 658 Y CA 1.073 59.148 58.100 -0.041 0.000 1.128 658 Y CB 0.091 38.606 38.460 0.093 0.000 1.005 658 Y HN -0.015 nan 8.280 nan 0.000 0.509 659 I N -0.939 119.602 120.570 -0.048 0.000 2.286 659 I HA -0.169 4.001 4.170 0.001 0.000 0.245 659 I C 2.032 178.019 176.117 -0.216 0.000 1.104 659 I CA 1.182 62.401 61.300 -0.136 0.000 1.397 659 I CB -1.033 36.953 38.000 -0.024 0.000 1.072 659 I HN 0.190 nan 8.210 nan 0.000 0.417 660 V N 0.315 120.068 119.914 -0.268 0.000 2.690 660 V HA 0.164 4.284 4.120 0.001 0.000 0.240 660 V C 2.525 178.506 176.094 -0.190 0.000 1.078 660 V CA 1.233 63.350 62.300 -0.304 0.000 1.102 660 V CB -0.695 30.777 31.823 -0.584 0.000 0.800 660 V HN 0.388 nan 8.190 nan 0.000 0.479 661 G N 0.284 108.968 108.800 -0.194 0.000 2.432 661 G HA2 -0.218 3.742 3.960 0.001 0.000 0.219 661 G HA3 -0.218 3.742 3.960 0.001 0.000 0.219 661 G C 1.663 176.598 174.900 0.058 0.000 1.135 661 G CA 0.503 45.578 45.100 -0.042 0.000 0.767 661 G HN 0.409 nan 8.290 nan 0.000 0.550 662 R N 0.705 121.177 120.500 -0.048 0.000 2.235 662 R HA 0.056 4.397 4.340 0.001 0.000 0.213 662 R C 1.318 177.586 176.300 -0.053 0.000 1.059 662 R CA 0.543 56.615 56.100 -0.046 0.000 0.997 662 R CB -0.053 30.150 30.300 -0.163 0.000 0.884 662 R HN 0.442 nan 8.270 nan 0.000 0.462 663 S N 0.400 116.062 115.700 -0.063 0.000 2.565 663 S HA 0.139 4.609 4.470 0.001 0.000 0.276 663 S C 1.036 175.623 174.600 -0.022 0.000 1.326 663 S CA -0.724 57.447 58.200 -0.049 0.000 1.045 663 S CB 1.619 64.786 63.200 -0.054 0.000 0.918 663 S HN 0.127 nan 8.310 nan 0.000 0.505 664 R N 2.201 122.689 120.500 -0.019 0.000 2.120 664 R HA -0.100 4.241 4.340 0.001 0.000 0.234 664 R C 2.034 178.331 176.300 -0.006 0.000 1.123 664 R CA 1.691 57.783 56.100 -0.013 0.000 0.975 664 R CB -0.471 29.821 30.300 -0.012 0.000 0.866 664 R HN 0.926 nan 8.270 nan 0.000 0.446 665 K N 0.812 121.212 120.400 0.000 0.000 2.432 665 K HA -0.081 4.240 4.320 0.001 0.000 0.196 665 K C 0.771 177.383 176.600 0.021 0.000 1.038 665 K CA 0.468 56.761 56.287 0.011 0.000 0.986 665 K CB 0.109 32.619 32.500 0.017 0.000 0.782 665 K HN -0.138 nan 8.250 nan 0.000 0.485 666 Q N 1.933 121.745 119.800 0.020 0.000 2.337 666 Q HA 0.153 4.494 4.340 0.001 0.000 0.255 666 Q C -0.774 175.246 176.000 0.033 0.000 0.997 666 Q CA 0.191 56.017 55.803 0.038 0.000 0.925 666 Q CB 1.062 29.818 28.738 0.031 0.000 1.212 666 Q HN 0.367 nan 8.270 nan 0.000 0.436 667 N N 2.248 120.969 118.700 0.035 0.000 2.227 667 N HA 0.127 4.868 4.740 0.001 0.000 0.196 667 N C -0.735 174.797 175.510 0.036 0.000 1.142 667 N CA -0.290 52.769 53.050 0.015 0.000 0.887 667 N CB 0.520 39.010 38.487 0.004 0.000 1.022 667 N HN 0.412 nan 8.380 nan 0.000 0.500 668 N N 2.549 121.292 118.700 0.071 0.000 2.520 668 N HA 0.156 4.896 4.740 0.001 0.000 0.273 668 N C -2.490 173.098 175.510 0.131 0.000 1.155 668 N CA -1.135 51.971 53.050 0.092 0.000 0.967 668 N CB 0.549 39.103 38.487 0.111 0.000 1.092 668 N HN 0.123 nan 8.380 nan 0.000 0.457 669 P HA 0.189 nan 4.420 nan 0.000 0.274 669 P C -0.695 176.754 177.300 0.249 0.000 1.231 669 P CA -0.128 63.100 63.100 0.213 0.000 0.790 669 P CB 0.926 32.622 31.700 -0.007 0.000 0.951 670 L N 3.011 124.390 121.223 0.260 0.000 2.427 670 L HA 0.473 4.813 4.340 0.001 0.000 0.264 670 L C -0.102 176.760 176.870 -0.012 0.000 0.989 670 L CA -0.290 54.584 54.840 0.056 0.000 0.865 670 L CB 0.842 42.832 42.059 -0.115 0.000 1.209 670 L HN 0.217 nan 8.230 nan 0.000 0.430 671 L N 3.540 124.718 121.223 -0.074 0.000 2.354 671 L HA 0.656 4.996 4.340 0.001 0.000 0.264 671 L C -0.788 175.978 176.870 -0.174 0.000 1.008 671 L CA -0.700 54.053 54.840 -0.146 0.000 0.819 671 L CB 3.241 45.174 42.059 -0.210 0.000 1.339 671 L HN 0.457 nan 8.230 nan 0.000 0.420 672 I N 0.340 120.827 120.570 -0.138 0.000 2.646 672 I HA 0.403 4.573 4.170 0.001 0.000 0.299 672 I C -1.185 174.924 176.117 -0.013 0.000 1.036 672 I CA -0.348 60.903 61.300 -0.082 0.000 1.074 672 I CB 2.137 40.107 38.000 -0.050 0.000 1.258 672 I HN 0.645 nan 8.210 nan 0.000 0.430 673 H N 6.621 125.627 119.070 -0.106 0.000 2.547 673 H HA 0.506 5.063 4.556 0.001 0.000 0.342 673 H C -1.773 173.534 175.328 -0.034 0.000 1.048 673 H CA -0.736 55.268 56.048 -0.073 0.000 1.204 673 H CB 1.958 31.675 29.762 -0.074 0.000 1.493 673 H HN 0.354 nan 8.280 nan 0.000 0.511 674 V N 5.505 125.203 119.914 -0.361 0.000 2.334 674 V HA 0.042 4.163 4.120 0.001 0.000 0.281 674 V C 0.258 176.078 176.094 -0.457 0.000 1.016 674 V CA -0.718 61.408 62.300 -0.290 0.000 0.832 674 V CB 1.072 32.834 31.823 -0.102 0.000 0.999 674 V HN 0.754 nan 8.190 nan 0.000 0.439 675 D N 3.441 123.606 120.400 -0.390 0.000 2.344 675 D HA 0.421 5.062 4.640 0.001 0.000 0.244 675 D C 0.453 176.713 176.300 -0.067 0.000 1.134 675 D CA 0.145 54.000 54.000 -0.242 0.000 0.930 675 D CB 1.532 42.263 40.800 -0.116 0.000 1.175 675 D HN 0.694 nan 8.370 nan 0.000 0.437 676 T N -1.314 113.233 114.554 -0.012 0.000 2.945 676 T HA 0.405 4.755 4.350 0.001 0.000 0.286 676 T C 0.038 174.762 174.700 0.040 0.000 1.025 676 T CA -0.894 61.237 62.100 0.051 0.000 1.039 676 T CB 1.120 70.019 68.868 0.051 0.000 1.068 676 T HN 0.494 nan 8.240 nan 0.000 0.497 677 K N -0.528 119.891 120.400 0.032 0.000 3.069 677 K HA -0.086 4.234 4.320 0.001 0.000 0.267 677 K C -0.024 176.523 176.600 -0.087 0.000 1.082 677 K CA 0.657 56.871 56.287 -0.121 0.000 0.782 677 K CB -2.165 30.289 32.500 -0.076 0.000 1.230 677 K HN 1.060 nan 8.250 nan 0.000 0.488 678 A N -0.827 121.986 122.820 -0.011 0.000 2.594 678 A HA 0.854 5.175 4.320 0.001 0.000 0.291 678 A C 0.176 177.821 177.584 0.101 0.000 1.105 678 A CA -0.098 51.956 52.037 0.028 0.000 0.694 678 A CB 1.968 20.987 19.000 0.032 0.000 1.291 678 A HN 0.252 nan 8.150 nan 0.000 0.410 679 G N -1.259 107.603 108.800 0.104 0.000 3.259 679 G HA2 0.410 4.370 3.960 0.001 0.000 0.178 679 G HA3 0.410 4.370 3.960 0.001 0.000 0.178 679 G C 0.473 175.470 174.900 0.162 0.000 1.129 679 G CA 0.493 45.687 45.100 0.157 0.000 0.816 679 G HN 0.903 nan 8.290 nan 0.000 0.634 680 H N -0.629 118.484 119.070 0.072 0.000 2.456 680 H HA 0.163 4.719 4.556 0.001 0.000 0.296 680 H C 1.897 177.253 175.328 0.046 0.000 1.079 680 H CA 2.759 58.842 56.048 0.058 0.000 1.322 680 H CB 0.279 30.081 29.762 0.066 0.000 1.388 680 H HN 0.821 nan 8.280 nan 0.000 0.538 681 G N -1.967 106.865 108.800 0.053 0.000 3.382 681 G HA2 -0.065 3.895 3.960 0.001 0.000 0.214 681 G HA3 -0.065 3.895 3.960 0.001 0.000 0.214 681 G C 0.279 175.200 174.900 0.035 0.000 1.025 681 G CA -0.111 44.987 45.100 -0.002 0.000 0.869 681 G HN 0.590 nan 8.290 nan 0.000 0.458 682 A N 0.684 123.544 122.820 0.066 0.000 2.520 682 A HA 0.560 4.880 4.320 0.001 0.000 0.245 682 A C 1.929 179.547 177.584 0.055 0.000 1.072 682 A CA 1.886 53.960 52.037 0.061 0.000 0.761 682 A CB -0.288 18.759 19.000 0.079 0.000 1.004 682 A HN 2.390 nan 8.150 nan 0.000 0.499 683 G N 1.211 110.037 108.800 0.043 0.000 2.179 683 G HA2 -0.280 3.681 3.960 0.001 0.000 0.260 683 G HA3 -0.280 3.681 3.960 0.001 0.000 0.260 683 G C 0.414 175.336 174.900 0.037 0.000 0.977 683 G CA 0.691 45.815 45.100 0.040 0.000 0.641 683 G HN 1.059 nan 8.290 nan 0.000 0.533 684 K N 1.998 122.421 120.400 0.039 0.000 2.451 684 K HA 0.295 4.616 4.320 0.001 0.000 0.280 684 K C -1.587 175.038 176.600 0.042 0.000 1.020 684 K CA -0.921 55.389 56.287 0.037 0.000 1.008 684 K CB 0.623 33.145 32.500 0.037 0.000 0.917 684 K HN 0.171 nan 8.250 nan 0.000 0.478 685 P HA -0.009 nan 4.420 nan 0.000 0.272 685 P C 0.200 177.537 177.300 0.062 0.000 1.223 685 P CA -0.192 62.932 63.100 0.040 0.000 0.784 685 P CB 0.800 32.517 31.700 0.029 0.000 0.923 686 T N 1.961 116.559 114.554 0.072 0.000 2.680 686 T HA -0.260 4.090 4.350 0.001 0.000 0.268 686 T C 1.852 176.620 174.700 0.114 0.000 1.033 686 T CA 2.482 64.660 62.100 0.130 0.000 1.152 686 T CB -0.763 68.164 68.868 0.097 0.000 0.859 686 T HN 0.568 nan 8.240 nan 0.000 0.452 687 A N 1.423 124.286 122.820 0.072 0.000 1.902 687 A HA -0.140 4.181 4.320 0.001 0.000 0.217 687 A C 2.288 179.911 177.584 0.065 0.000 1.181 687 A CA 1.670 53.746 52.037 0.065 0.000 0.623 687 A CB -0.423 18.604 19.000 0.044 0.000 0.818 687 A HN 0.486 nan 8.150 nan 0.000 0.443 688 K N -0.546 119.889 120.400 0.059 0.000 2.103 688 K HA -0.012 4.309 4.320 0.001 0.000 0.204 688 K C 1.870 178.506 176.600 0.059 0.000 1.052 688 K CA 1.146 57.468 56.287 0.058 0.000 0.945 688 K CB -0.284 32.245 32.500 0.049 0.000 0.722 688 K HN 0.302 nan 8.250 nan 0.000 0.443 689 V N 1.978 121.928 119.914 0.060 0.000 2.287 689 V HA -0.270 3.850 4.120 0.001 0.000 0.248 689 V C 2.176 178.289 176.094 0.032 0.000 1.053 689 V CA 1.695 64.019 62.300 0.041 0.000 1.027 689 V CB -0.368 31.482 31.823 0.045 0.000 0.646 689 V HN 0.281 nan 8.190 nan 0.000 0.447 690 I N -0.378 120.224 120.570 0.052 0.000 2.226 690 I HA -0.191 3.979 4.170 0.001 0.000 0.245 690 I C 2.657 178.830 176.117 0.093 0.000 1.100 690 I CA 1.311 62.652 61.300 0.069 0.000 1.374 690 I CB -0.427 37.629 38.000 0.093 0.000 1.057 690 I HN 0.323 nan 8.210 nan 0.000 0.413 691 E N 0.557 120.803 120.200 0.077 0.000 2.077 691 E HA -0.274 4.076 4.350 0.001 0.000 0.193 691 E C 1.934 178.572 176.600 0.063 0.000 0.989 691 E CA 1.229 57.671 56.400 0.070 0.000 0.800 691 E CB -0.298 29.442 29.700 0.067 0.000 0.746 691 E HN 0.562 nan 8.360 nan 0.000 0.452 692 E N 0.789 121.028 120.200 0.064 0.000 2.051 692 E HA -0.157 4.194 4.350 0.001 0.000 0.192 692 E C 2.198 178.819 176.600 0.036 0.000 0.991 692 E CA 1.891 58.322 56.400 0.051 0.000 0.799 692 E CB 0.101 29.830 29.700 0.048 0.000 0.748 692 E HN 0.160 nan 8.360 nan 0.000 0.449 693 V N -1.238 118.720 119.914 0.074 0.000 2.515 693 V HA -0.137 3.983 4.120 0.001 0.000 0.250 693 V C 2.170 178.294 176.094 0.049 0.000 1.058 693 V CA 1.799 64.178 62.300 0.132 0.000 1.064 693 V CB -0.401 31.575 31.823 0.255 0.000 0.675 693 V HN 0.113 nan 8.190 nan 0.000 0.461 694 S N 0.742 116.488 115.700 0.077 0.000 2.368 694 S HA -0.174 4.296 4.470 0.001 0.000 0.224 694 S C 1.705 176.271 174.600 -0.057 0.000 1.029 694 S CA 1.662 59.869 58.200 0.011 0.000 0.988 694 S CB -0.554 62.739 63.200 0.155 0.000 0.838 694 S HN 0.683 nan 8.310 nan 0.000 0.462 695 D N 1.526 121.911 120.400 -0.025 0.000 2.104 695 D HA -0.090 4.551 4.640 0.001 0.000 0.194 695 D C 1.896 178.174 176.300 -0.036 0.000 0.994 695 D CA 1.161 55.141 54.000 -0.032 0.000 0.830 695 D CB -0.316 40.450 40.800 -0.056 0.000 0.959 695 D HN 0.366 nan 8.370 nan 0.000 0.452 696 M N -0.649 118.879 119.600 -0.121 0.000 2.067 696 M HA -0.134 4.347 4.480 0.001 0.000 0.260 696 M C 2.027 178.139 176.300 -0.313 0.000 1.069 696 M CA 1.340 56.491 55.300 -0.248 0.000 1.117 696 M CB -0.300 32.043 32.600 -0.427 0.000 1.334 696 M HN -0.043 nan 8.290 nan 0.000 0.407 697 F N -0.100 119.734 119.950 -0.194 0.000 2.367 697 F HA 0.038 4.565 4.527 0.001 0.000 0.298 697 F C 2.526 178.301 175.800 -0.043 0.000 1.094 697 F CA 0.901 58.782 58.000 -0.197 0.000 1.409 697 F CB -0.841 37.810 39.000 -0.582 0.000 1.064 697 F HN 0.095 nan 8.300 nan 0.000 0.528 698 A N -0.171 122.684 122.820 0.059 0.000 1.898 698 A HA -0.199 4.121 4.320 0.001 0.000 0.216 698 A C 2.070 179.746 177.584 0.153 0.000 1.181 698 A CA 1.252 53.347 52.037 0.097 0.000 0.620 698 A CB -1.242 17.788 19.000 0.051 0.000 0.819 698 A HN 0.364 nan 8.150 nan 0.000 0.442 699 F N 0.706 120.682 119.950 0.043 0.000 2.102 699 F HA -0.148 4.380 4.527 0.001 0.000 0.298 699 F C 1.983 177.867 175.800 0.140 0.000 1.105 699 F CA 1.645 59.723 58.000 0.129 0.000 1.239 699 F CB -0.289 38.767 39.000 0.092 0.000 0.991 699 F HN 0.179 nan 8.300 nan 0.000 0.474 700 I N 0.173 120.845 120.570 0.170 0.000 2.163 700 I HA -0.362 3.808 4.170 0.001 0.000 0.243 700 I C 2.690 178.890 176.117 0.138 0.000 1.085 700 I CA 1.399 62.781 61.300 0.137 0.000 1.347 700 I CB -1.005 37.133 38.000 0.229 0.000 1.044 700 I HN 0.235 nan 8.210 nan 0.000 0.408 701 A N 0.590 123.524 122.820 0.190 0.000 1.902 701 A HA -0.257 4.063 4.320 0.001 0.000 0.217 701 A C 2.422 180.055 177.584 0.082 0.000 1.181 701 A CA 2.003 54.151 52.037 0.184 0.000 0.623 701 A CB -0.639 18.494 19.000 0.222 0.000 0.818 701 A HN 0.371 nan 8.150 nan 0.000 0.443 702 R N -0.910 119.596 120.500 0.010 0.000 2.062 702 R HA -0.111 4.229 4.340 0.001 0.000 0.229 702 R C 2.120 178.395 176.300 -0.041 0.000 1.128 702 R CA 1.890 57.953 56.100 -0.061 0.000 0.960 702 R CB -0.656 29.523 30.300 -0.201 0.000 0.855 702 R HN 0.537 nan 8.270 nan 0.000 0.432 703 C N 0.294 119.535 119.300 -0.098 0.000 2.440 703 C HA 0.034 4.495 4.460 0.001 0.000 0.278 703 C C 2.121 177.102 174.990 -0.015 0.000 1.295 703 C CA 0.430 59.390 59.018 -0.097 0.000 1.738 703 C CB -0.609 26.937 27.740 -0.324 0.000 1.987 703 C HN 0.500 nan 8.230 nan 0.000 0.492 704 L N 0.364 121.599 121.223 0.020 0.000 2.607 704 L HA 0.184 4.524 4.340 0.001 0.000 0.228 704 L C 0.527 177.439 176.870 0.069 0.000 1.123 704 L CA 0.083 54.961 54.840 0.064 0.000 0.890 704 L CB -0.599 41.529 42.059 0.114 0.000 1.103 704 L HN 0.278 nan 8.230 nan 0.000 0.468 705 N N 1.853 120.587 118.700 0.058 0.000 2.696 705 N HA -0.203 4.537 4.740 0.001 0.000 0.256 705 N C -0.575 174.983 175.510 0.080 0.000 1.031 705 N CA 0.525 53.609 53.050 0.058 0.000 0.730 705 N CB -1.080 37.432 38.487 0.041 0.000 0.894 705 N HN 0.327 nan 8.380 nan 0.000 0.544 706 I N 0.534 121.172 120.570 0.114 0.000 2.331 706 I HA 0.178 4.349 4.170 0.001 0.000 0.292 706 I C 0.536 176.744 176.117 0.152 0.000 0.998 706 I CA -0.749 60.631 61.300 0.134 0.000 1.267 706 I CB 0.892 39.002 38.000 0.183 0.000 1.386 706 I HN 0.054 nan 8.210 nan 0.000 0.476 707 D N 5.696 126.175 120.400 0.131 0.000 2.345 707 D HA 0.019 4.659 4.640 0.001 0.000 0.247 707 D C -0.426 176.011 176.300 0.227 0.000 1.108 707 D CA -0.169 53.928 54.000 0.162 0.000 0.894 707 D CB 1.202 42.070 40.800 0.113 0.000 1.203 707 D HN 0.410 nan 8.370 nan 0.000 0.430 708 W N 3.301 124.645 121.300 0.074 0.000 2.181 708 W HA 0.191 4.851 4.660 0.001 0.000 0.335 708 W C -0.732 175.837 176.519 0.084 0.000 1.310 708 W CA -0.269 57.130 57.345 0.090 0.000 1.226 708 W CB 0.441 29.947 29.460 0.077 0.000 1.155 708 W HN 0.267 nan 8.180 nan 0.000 0.565 709 I N 8.853 129.195 120.570 -0.380 0.000 2.359 709 I HA 0.156 4.326 4.170 0.001 0.000 0.284 709 I C -1.803 174.102 176.117 -0.353 0.000 1.018 709 I CA -2.167 58.974 61.300 -0.266 0.000 1.173 709 I CB 1.083 38.943 38.000 -0.234 0.000 1.326 709 I HN 0.080 nan 8.210 nan 0.000 0.462 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.204 63.100 0.173 0.000 0.800 710 P CB 0.000 31.840 31.700 0.234 0.000 0.726