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 2hro_1_A DATA FIRST_RESID 4 DATA SEQUENCE QIKGIAASDG VAIAKAYLLV EPDLSFDNES VTDTDAEVAK FNGALNKSKV DATA SEQUENCE ELTKIRNNAE KQLGADKAAI FDAHLLVLED PELIQPIEDK IKNESVNAAQ DATA SEQUENCE ALTDVSNQFI TIFESMDNEY MAERAADIRD VSKRVLAHIL GVELPNPXXX DATA SEQUENCE XXXVVIIGND LTPSDTAQLN KEYVQGFVTN IGXXXSHSAI MSRSLEIPAV DATA SEQUENCE XGTKSITEEV EAGDXIVVDX XXXDVLXXPS DEVIAEYQEK RENFFKDKQE DATA SEQUENCE LQKLRDAESV TADGHHVELA ANIGTPNDLP GVIENGAEGI GLYRTEFLYM DATA SEQUENCE GRDQMPTEEE QFEAYKAVLE AMKGKRVVVR TLDIGGDKEL PYLDLPEEMN DATA SEQUENCE PFLGYRAIRL CLDQPEIFRP QLRALLRASV FGKLNIMFPM VATIQEFRDA DATA SEQUENCE KALLEEERAN LKNEGYEVAD DIELGIMVEI PSTAALADIF AKEVDFFSIG DATA SEQUENCE TNDLIQYTMA ADRMSERVSY LYQPYNPAIL RLVKQVIEAS HAEGKWTGMC DATA SEQUENCE GEMAGDQTAI PLLLGLGLDE FSMSATSILK ARRLIRSLNE SEMKELSERA DATA SEQUENCE VQCATSEEVV DLVEEYTK 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.998 176.000 -0.004 0.000 1.003 4 Q CA 0.000 55.797 55.803 -0.009 0.000 1.022 4 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 5 I N -0.392 120.175 120.570 -0.004 0.000 4.126 5 I HA 1.087 5.257 4.170 0.001 0.000 0.245 5 I C 0.765 176.883 176.117 0.002 0.000 1.367 5 I CA 0.125 61.424 61.300 -0.001 0.000 1.178 5 I CB 0.191 38.189 38.000 -0.003 0.000 1.495 5 I HN 1.513 nan 8.210 nan 0.000 0.561 6 K N -1.301 119.101 120.400 0.002 0.000 1.754 6 K HA 0.776 5.096 4.320 0.001 0.000 0.264 6 K C 1.345 177.947 176.600 0.003 0.000 0.932 6 K CA 0.325 56.614 56.287 0.004 0.000 0.833 6 K CB -0.107 32.396 32.500 0.005 0.000 2.355 6 K HN 2.855 nan 8.250 nan 0.000 0.873 7 G N -1.401 107.400 108.800 0.003 0.000 2.295 7 G HA2 0.144 4.104 3.960 0.001 0.000 0.287 7 G HA3 0.144 4.104 3.960 0.001 0.000 0.287 7 G C 0.562 175.462 174.900 0.000 0.000 1.055 7 G CA 0.844 45.945 45.100 0.002 0.000 0.922 7 G HN 2.138 nan 8.290 nan 0.000 0.503 8 I N -1.624 118.947 120.570 0.001 0.000 2.566 8 I HA 0.759 4.929 4.170 0.001 0.000 0.286 8 I C 1.207 177.319 176.117 -0.009 0.000 1.060 8 I CA 0.918 62.216 61.300 -0.003 0.000 2.222 8 I CB -1.180 36.821 38.000 0.002 0.000 1.534 8 I HN 1.811 nan 8.210 nan 0.000 0.987 9 A N 1.362 124.177 122.820 -0.008 0.000 3.742 9 A HA 1.007 5.328 4.320 0.001 0.000 0.282 9 A C 1.489 179.069 177.584 -0.007 0.000 1.117 9 A CA 0.312 52.344 52.037 -0.008 0.000 0.624 9 A CB -0.160 18.839 19.000 -0.001 0.000 1.548 9 A HN 2.322 nan 8.150 nan 0.000 0.723 10 A N -2.804 120.016 122.820 -0.001 0.000 4.284 10 A HA 0.237 4.557 4.320 0.001 0.000 0.264 10 A C 1.414 179.000 177.584 0.003 0.000 0.856 10 A CA 3.171 55.209 52.037 0.003 0.000 1.165 10 A CB -2.037 16.964 19.000 0.003 0.000 1.059 10 A HN 2.916 nan 8.150 nan 0.000 0.803 11 S N -2.808 112.889 115.700 -0.005 0.000 2.755 11 S HA 0.746 5.216 4.470 0.001 0.000 0.286 11 S C 0.029 174.606 174.600 -0.039 0.000 1.207 11 S CA 0.962 59.158 58.200 -0.006 0.000 0.892 11 S CB -0.693 62.506 63.200 -0.000 0.000 1.240 11 S HN 1.975 nan 8.310 nan 0.000 0.525 12 D N -0.768 119.597 120.400 -0.058 0.000 2.181 12 D HA 0.625 5.265 4.640 0.001 0.000 0.262 12 D C 0.723 176.842 176.300 -0.302 0.000 1.222 12 D CA 0.365 54.227 54.000 -0.229 0.000 0.993 12 D CB -0.256 40.436 40.800 -0.180 0.000 1.160 12 D HN 1.632 nan 8.370 nan 0.000 0.528 13 G N -4.568 103.924 108.800 -0.513 0.000 2.708 13 G HA2 0.769 4.729 3.960 0.001 0.000 0.289 13 G HA3 0.769 4.729 3.960 0.001 0.000 0.289 13 G C 0.026 174.832 174.900 -0.157 0.000 1.416 13 G CA 0.520 45.449 45.100 -0.286 0.000 0.829 13 G HN 2.118 nan 8.290 nan 0.000 0.480 14 V N -1.590 118.327 119.914 0.005 0.000 3.865 14 V HA 0.291 4.411 4.120 0.001 0.000 0.463 14 V C 1.012 177.166 176.094 0.101 0.000 0.682 14 V CA 1.643 64.011 62.300 0.113 0.000 1.913 14 V CB -1.454 30.456 31.823 0.145 0.000 2.326 14 V HN 2.539 nan 8.190 nan 0.000 0.496 15 A N 4.965 127.822 122.820 0.062 0.000 2.042 15 A HA 1.003 5.323 4.320 0.001 0.000 0.207 15 A C 2.281 179.877 177.584 0.020 0.000 1.598 15 A CA 2.303 54.367 52.037 0.046 0.000 0.818 15 A CB 0.039 19.053 19.000 0.024 0.000 1.169 15 A HN 3.032 nan 8.150 nan 0.000 0.548 16 I N -0.829 119.736 120.570 -0.009 0.000 7.772 16 I HA 0.281 4.452 4.170 0.001 0.000 0.126 16 I C 0.266 176.374 176.117 -0.016 0.000 1.801 16 I CA 0.893 62.179 61.300 -0.024 0.000 2.133 16 I CB -2.349 35.644 38.000 -0.011 0.000 3.629 16 I HN 2.028 nan 8.210 nan 0.000 0.198 17 A N 3.266 126.075 122.820 -0.018 0.000 2.733 17 A HA 1.195 5.516 4.320 0.001 0.000 0.299 17 A C 0.801 178.376 177.584 -0.016 0.000 1.252 17 A CA 0.871 52.900 52.037 -0.012 0.000 0.677 17 A CB -0.069 18.929 19.000 -0.003 0.000 1.361 17 A HN 2.521 nan 8.150 nan 0.000 0.528 18 K N -1.161 119.233 120.400 -0.011 0.000 2.465 18 K HA 0.791 5.111 4.320 0.001 0.000 0.176 18 K C 0.960 177.553 176.600 -0.011 0.000 1.104 18 K CA 1.980 58.260 56.287 -0.012 0.000 1.160 18 K CB -1.021 31.474 32.500 -0.008 0.000 1.607 18 K HN 2.556 nan 8.250 nan 0.000 0.469 19 A N -5.352 117.464 122.820 -0.007 0.000 3.281 19 A HA 0.634 4.955 4.320 0.001 0.000 0.302 19 A C 0.460 178.042 177.584 -0.002 0.000 1.115 19 A CA 0.943 52.977 52.037 -0.006 0.000 0.595 19 A CB -0.688 18.307 19.000 -0.009 0.000 1.518 19 A HN 2.080 nan 8.150 nan 0.000 0.674 20 Y N -3.266 117.033 120.300 -0.001 0.000 2.899 20 Y HA 0.447 4.997 4.550 0.001 0.000 0.253 20 Y C 0.334 176.235 175.900 0.001 0.000 1.042 20 Y CA 0.749 58.850 58.100 0.002 0.000 1.295 20 Y CB -0.616 37.847 38.460 0.006 0.000 1.396 20 Y HN 1.544 nan 8.280 nan 0.000 0.489 21 L N 1.302 122.526 121.223 0.002 0.000 3.521 21 L HA -0.210 4.131 4.340 0.001 0.000 0.653 21 L C 0.493 177.366 176.870 0.004 0.000 1.077 21 L CA 0.661 55.502 54.840 0.002 0.000 1.144 21 L CB -1.686 40.372 42.059 -0.001 0.000 1.447 21 L HN 0.653 nan 8.230 nan 0.000 0.811 22 L N 1.602 122.830 121.223 0.008 0.000 2.737 22 L HA 0.144 4.485 4.340 0.001 0.000 0.246 22 L C 1.459 178.336 176.870 0.011 0.000 1.153 22 L CA 0.174 55.021 54.840 0.012 0.000 0.920 22 L CB -0.314 41.756 42.059 0.018 0.000 1.090 22 L HN 0.628 nan 8.230 nan 0.000 0.430 23 V N 0.540 120.459 119.914 0.007 0.000 2.493 23 V HA 0.240 4.360 4.120 0.001 0.000 0.292 23 V C 0.972 177.070 176.094 0.006 0.000 1.016 23 V CA 0.328 62.631 62.300 0.006 0.000 1.097 23 V CB -0.337 31.488 31.823 0.003 0.000 0.947 23 V HN 0.439 nan 8.190 nan 0.000 0.479 24 E N 6.436 126.641 120.200 0.009 0.000 2.406 24 E HA 0.426 4.776 4.350 0.001 0.000 0.258 24 E C -1.599 175.004 176.600 0.006 0.000 1.043 24 E CA -1.022 55.384 56.400 0.009 0.000 0.929 24 E CB -0.806 28.902 29.700 0.014 0.000 0.969 24 E HN 0.915 nan 8.360 nan 0.000 0.462 25 P HA 0.036 nan 4.420 nan 0.000 0.270 25 P C -0.300 177.005 177.300 0.008 0.000 1.221 25 P CA -0.361 62.739 63.100 0.001 0.000 0.788 25 P CB 0.568 32.263 31.700 -0.008 0.000 0.904 26 D N 1.519 121.925 120.400 0.010 0.000 2.374 26 D HA 0.051 4.692 4.640 0.001 0.000 0.240 26 D C -0.076 176.244 176.300 0.033 0.000 1.229 26 D CA 0.080 54.090 54.000 0.016 0.000 0.895 26 D CB 0.055 40.861 40.800 0.011 0.000 1.046 26 D HN 0.261 nan 8.370 nan 0.000 0.498 27 L N 3.069 124.321 121.223 0.048 0.000 3.036 27 L HA 0.118 4.458 4.340 0.001 0.000 0.237 27 L C 0.943 177.906 176.870 0.155 0.000 1.319 27 L CA -0.315 54.583 54.840 0.098 0.000 1.112 27 L CB 0.118 42.234 42.059 0.094 0.000 1.480 27 L HN 0.159 nan 8.230 nan 0.000 0.506 28 S N 1.343 117.095 115.700 0.087 0.000 2.562 28 S HA 0.668 5.138 4.470 0.001 0.000 0.275 28 S C -0.447 174.218 174.600 0.108 0.000 1.281 28 S CA -0.430 57.774 58.200 0.006 0.000 1.045 28 S CB 0.623 63.796 63.200 -0.046 0.000 0.962 28 S HN 0.271 nan 8.310 nan 0.000 0.503 29 F N -0.513 119.434 119.950 -0.004 0.000 2.645 29 F HA 0.735 5.261 4.527 -0.003 0.000 0.310 29 F C -0.600 175.198 175.800 -0.004 0.000 1.102 29 F CA -0.795 57.203 58.000 -0.003 0.000 0.952 29 F CB 0.532 39.532 39.000 -0.001 0.000 1.326 29 F HN 0.468 nan 8.300 nan 0.000 0.456 30 D N 0.482 121.004 120.400 0.203 0.000 2.233 30 D HA 0.355 4.995 4.640 0.001 0.000 0.240 30 D C -0.933 175.493 176.300 0.211 0.000 1.074 30 D CA -0.951 53.111 54.000 0.102 0.000 0.838 30 D CB 0.535 41.373 40.800 0.062 0.000 1.124 30 D HN 0.786 nan 8.370 nan 0.000 0.475 31 N N 2.245 121.034 118.700 0.149 0.000 2.400 31 N HA 0.195 4.936 4.740 0.001 0.000 0.278 31 N C -0.187 175.380 175.510 0.095 0.000 1.247 31 N CA 0.216 53.366 53.050 0.166 0.000 0.970 31 N CB 0.638 39.186 38.487 0.102 0.000 1.312 31 N HN 0.611 nan 8.380 nan 0.000 0.488 32 E N 0.538 120.792 120.200 0.090 0.000 2.700 32 E HA 0.405 4.756 4.350 0.001 0.000 0.253 32 E C -0.488 176.131 176.600 0.032 0.000 1.175 32 E CA -0.819 55.612 56.400 0.050 0.000 1.010 32 E CB 1.029 30.756 29.700 0.045 0.000 1.284 32 E HN 0.209 nan 8.360 nan 0.000 0.557 33 S N 0.137 115.849 115.700 0.020 0.000 2.536 33 S HA 0.508 4.978 4.470 0.001 0.000 0.298 33 S C -1.053 173.551 174.600 0.006 0.000 1.083 33 S CA -0.798 57.408 58.200 0.010 0.000 0.995 33 S CB 1.128 64.333 63.200 0.008 0.000 1.058 33 S HN 0.384 nan 8.310 nan 0.000 0.488 34 V N 2.381 122.295 119.914 0.000 0.000 2.667 34 V HA 0.700 4.821 4.120 0.001 0.000 0.308 34 V C 1.020 177.113 176.094 -0.001 0.000 1.048 34 V CA -0.042 62.258 62.300 -0.001 0.000 0.928 34 V CB 0.804 32.624 31.823 -0.005 0.000 1.004 34 V HN 0.997 nan 8.190 nan 0.000 0.444 35 T N -1.446 113.107 114.554 -0.000 0.000 2.925 35 T HA 0.062 4.413 4.350 0.001 0.000 0.245 35 T C 0.701 175.401 174.700 -0.001 0.000 1.025 35 T CA 1.069 63.169 62.100 -0.000 0.000 1.149 35 T CB -0.193 68.675 68.868 0.001 0.000 0.866 35 T HN 0.688 nan 8.240 nan 0.000 0.437 36 D N 2.744 123.144 120.400 -0.000 0.000 2.524 36 D HA 0.222 4.862 4.640 0.001 0.000 0.222 36 D C 1.516 177.816 176.300 0.000 0.000 1.142 36 D CA 0.092 54.093 54.000 0.000 0.000 0.973 36 D CB 0.988 41.789 40.800 0.001 0.000 1.025 36 D HN 0.490 nan 8.370 nan 0.000 0.519 37 T N -0.236 114.318 114.554 -0.001 0.000 2.788 37 T HA -0.187 4.164 4.350 0.001 0.000 0.268 37 T C 1.300 176.002 174.700 0.003 0.000 1.044 37 T CA 0.882 62.980 62.100 -0.003 0.000 1.139 37 T CB 0.095 68.959 68.868 -0.007 0.000 0.867 37 T HN 0.157 nan 8.240 nan 0.000 0.454 38 D N 1.974 122.376 120.400 0.004 0.000 2.123 38 D HA -0.025 4.615 4.640 0.001 0.000 0.196 38 D C 2.481 178.788 176.300 0.012 0.000 0.992 38 D CA 1.526 55.531 54.000 0.008 0.000 0.833 38 D CB -0.498 40.305 40.800 0.005 0.000 0.954 38 D HN 0.608 nan 8.370 nan 0.000 0.455 39 A N 0.793 123.618 122.820 0.008 0.000 1.930 39 A HA -0.173 4.147 4.320 0.001 0.000 0.217 39 A C 2.130 179.723 177.584 0.015 0.000 1.175 39 A CA 1.516 53.558 52.037 0.008 0.000 0.627 39 A CB -0.366 18.636 19.000 0.004 0.000 0.815 39 A HN 0.066 nan 8.150 nan 0.000 0.443 40 E N -0.175 120.034 120.200 0.015 0.000 2.106 40 E HA -0.093 4.257 4.350 0.001 0.000 0.192 40 E C 1.796 178.429 176.600 0.055 0.000 0.984 40 E CA 1.327 57.740 56.400 0.022 0.000 0.806 40 E CB -0.267 29.435 29.700 0.004 0.000 0.750 40 E HN 0.264 nan 8.360 nan 0.000 0.458 41 V N 0.353 120.299 119.914 0.053 0.000 2.453 41 V HA -0.159 3.961 4.120 0.001 0.000 0.247 41 V C 2.239 178.402 176.094 0.114 0.000 1.048 41 V CA 1.573 63.933 62.300 0.099 0.000 1.049 41 V CB -0.654 31.206 31.823 0.062 0.000 0.672 41 V HN 0.404 nan 8.190 nan 0.000 0.457 42 A N -0.200 122.652 122.820 0.053 0.000 1.930 42 A HA -0.225 4.095 4.320 0.001 0.000 0.217 42 A C 2.302 179.889 177.584 0.005 0.000 1.175 42 A CA 1.997 54.046 52.037 0.020 0.000 0.627 42 A CB -0.410 18.592 19.000 0.004 0.000 0.815 42 A HN 0.515 nan 8.150 nan 0.000 0.443 43 K N -1.234 119.181 120.400 0.025 0.000 2.009 43 K HA -0.185 4.136 4.320 0.001 0.000 0.210 43 K C 1.796 178.402 176.600 0.010 0.000 1.049 43 K CA 1.841 58.136 56.287 0.013 0.000 0.929 43 K CB -0.381 32.134 32.500 0.025 0.000 0.714 43 K HN 0.401 nan 8.250 nan 0.000 0.440 44 F N 2.078 121.996 119.950 -0.053 0.000 2.102 44 F HA -0.205 4.322 4.527 0.001 0.000 0.298 44 F C 1.877 177.644 175.800 -0.055 0.000 1.105 44 F CA 2.161 60.126 58.000 -0.059 0.000 1.239 44 F CB -0.766 38.196 39.000 -0.064 0.000 0.991 44 F HN 0.179 nan 8.300 nan 0.000 0.474 45 N N 0.008 118.528 118.700 -0.300 0.000 2.289 45 N HA -0.084 4.656 4.740 0.001 0.000 0.184 45 N C 2.047 177.372 175.510 -0.308 0.000 1.016 45 N CA 1.425 54.268 53.050 -0.345 0.000 0.872 45 N CB -0.655 37.777 38.487 -0.091 0.000 0.973 45 N HN 0.391 nan 8.380 nan 0.000 0.433 46 G N -0.648 108.018 108.800 -0.223 0.000 2.403 46 G HA2 -0.076 3.884 3.960 0.001 0.000 0.216 46 G HA3 -0.076 3.884 3.960 0.001 0.000 0.216 46 G C 1.503 176.251 174.900 -0.252 0.000 1.154 46 G CA 0.632 45.619 45.100 -0.189 0.000 0.784 46 G HN 0.441 nan 8.290 nan 0.000 0.538 47 A N 0.592 123.246 122.820 -0.278 0.000 1.929 47 A HA 0.192 4.512 4.320 0.001 0.000 0.216 47 A C 2.260 179.640 177.584 -0.340 0.000 1.176 47 A CA 1.090 52.966 52.037 -0.267 0.000 0.628 47 A CB -0.357 18.569 19.000 -0.124 0.000 0.816 47 A HN 0.333 nan 8.150 nan 0.000 0.444 48 L N 0.437 121.373 121.223 -0.478 0.000 1.970 48 L HA -0.204 4.136 4.340 0.001 0.000 0.212 48 L C 1.861 178.567 176.870 -0.274 0.000 1.071 48 L CA 2.365 56.943 54.840 -0.436 0.000 0.751 48 L CB -1.231 40.440 42.059 -0.647 0.000 0.889 48 L HN 0.395 nan 8.230 nan 0.000 0.432 49 N N 0.327 118.873 118.700 -0.257 0.000 2.166 49 N HA -0.195 4.545 4.740 0.001 0.000 0.186 49 N C 1.740 177.131 175.510 -0.199 0.000 1.019 49 N CA 1.146 54.086 53.050 -0.184 0.000 0.856 49 N CB -0.132 38.264 38.487 -0.152 0.000 0.993 49 N HN 0.422 nan 8.380 nan 0.000 0.426 50 K N 0.701 120.928 120.400 -0.287 0.000 2.103 50 K HA -0.005 4.316 4.320 0.001 0.000 0.207 50 K C 2.124 178.527 176.600 -0.328 0.000 1.048 50 K CA 0.924 56.988 56.287 -0.372 0.000 0.930 50 K CB -0.043 32.058 32.500 -0.665 0.000 0.716 50 K HN 0.063 nan 8.250 nan 0.000 0.444 51 S N 1.004 116.535 115.700 -0.281 0.000 2.383 51 S HA -0.093 4.377 4.470 0.001 0.000 0.227 51 S C 1.694 176.261 174.600 -0.055 0.000 1.026 51 S CA 1.162 59.312 58.200 -0.083 0.000 0.981 51 S CB -0.001 63.183 63.200 -0.026 0.000 0.818 51 S HN 0.286 nan 8.310 nan 0.000 0.472 52 K N 0.969 121.321 120.400 -0.079 0.000 2.025 52 K HA -0.070 4.250 4.320 0.001 0.000 0.207 52 K C 2.264 178.841 176.600 -0.039 0.000 1.049 52 K CA 1.596 57.857 56.287 -0.043 0.000 0.933 52 K CB -0.551 31.919 32.500 -0.050 0.000 0.714 52 K HN 0.436 nan 8.250 nan 0.000 0.438 53 V N -0.504 119.372 119.914 -0.063 0.000 2.626 53 V HA -0.183 3.937 4.120 0.001 0.000 0.252 53 V C 1.991 178.057 176.094 -0.046 0.000 1.067 53 V CA 1.790 64.058 62.300 -0.053 0.000 1.081 53 V CB -0.392 31.393 31.823 -0.064 0.000 0.686 53 V HN 0.275 nan 8.190 nan 0.000 0.468 54 E N 0.462 120.636 120.200 -0.043 0.000 2.047 54 E HA -0.130 4.220 4.350 0.001 0.000 0.191 54 E C 2.154 178.725 176.600 -0.048 0.000 0.987 54 E CA 1.708 58.093 56.400 -0.026 0.000 0.799 54 E CB -0.200 29.517 29.700 0.028 0.000 0.752 54 E HN 0.705 nan 8.360 nan 0.000 0.449 55 L N 0.518 121.726 121.223 -0.025 0.000 2.027 55 L HA -0.134 4.207 4.340 0.001 0.000 0.206 55 L C 2.849 179.692 176.870 -0.044 0.000 1.074 55 L CA 1.636 56.465 54.840 -0.019 0.000 0.745 55 L CB -0.830 41.278 42.059 0.081 0.000 0.898 55 L HN 0.333 nan 8.230 nan 0.000 0.433 56 T N -2.975 111.568 114.554 -0.018 0.000 2.929 56 T HA -0.185 4.165 4.350 0.001 0.000 0.271 56 T C 1.758 176.432 174.700 -0.044 0.000 1.085 56 T CA 1.042 63.134 62.100 -0.014 0.000 1.125 56 T CB -0.144 68.720 68.868 -0.007 0.000 0.874 56 T HN 0.278 nan 8.240 nan 0.000 0.494 57 K N 0.089 120.447 120.400 -0.069 0.000 2.137 57 K HA 0.203 4.523 4.320 0.001 0.000 0.202 57 K C 2.083 178.603 176.600 -0.132 0.000 1.052 57 K CA 0.463 56.703 56.287 -0.079 0.000 0.961 57 K CB -0.005 32.455 32.500 -0.067 0.000 0.741 57 K HN 0.241 nan 8.250 nan 0.000 0.452 58 I N 1.343 121.778 120.570 -0.225 0.000 2.315 58 I HA -0.213 3.957 4.170 0.001 0.000 0.248 58 I C 2.375 178.226 176.117 -0.443 0.000 1.117 58 I CA 1.283 62.322 61.300 -0.434 0.000 1.404 58 I CB -0.914 36.619 38.000 -0.779 0.000 1.071 58 I HN 0.217 nan 8.210 nan 0.000 0.419 59 R N 1.486 121.827 120.500 -0.265 0.000 2.082 59 R HA -0.173 4.167 4.340 0.001 0.000 0.228 59 R C 2.081 178.379 176.300 -0.003 0.000 1.140 59 R CA 1.967 58.050 56.100 -0.029 0.000 0.920 59 R CB -0.171 30.171 30.300 0.070 0.000 0.828 59 R HN 0.277 nan 8.270 nan 0.000 0.430 60 N N 1.177 119.868 118.700 -0.015 0.000 2.137 60 N HA -0.161 4.579 4.740 0.001 0.000 0.190 60 N C 0.759 176.262 175.510 -0.012 0.000 1.017 60 N CA 1.235 54.283 53.050 -0.005 0.000 0.859 60 N CB -0.500 37.981 38.487 -0.010 0.000 1.002 60 N HN 0.342 nan 8.380 nan 0.000 0.428 61 N N 0.100 118.776 118.700 -0.040 0.000 2.362 61 N HA 0.171 4.912 4.740 0.001 0.000 0.211 61 N C 0.481 175.976 175.510 -0.024 0.000 1.170 61 N CA 0.108 53.137 53.050 -0.035 0.000 0.828 61 N CB 0.571 39.027 38.487 -0.052 0.000 1.034 61 N HN 0.250 nan 8.380 nan 0.000 0.475 62 A N 0.098 122.918 122.820 0.000 0.000 2.026 62 A HA 0.139 4.459 4.320 0.001 0.000 0.198 62 A C 1.823 179.442 177.584 0.058 0.000 1.390 62 A CA 0.090 52.155 52.037 0.048 0.000 0.915 62 A CB 0.333 19.406 19.000 0.122 0.000 0.974 62 A HN 0.116 nan 8.150 nan 0.000 0.477 63 E N 0.870 121.100 120.200 0.050 0.000 2.051 63 E HA -0.065 4.285 4.350 0.001 0.000 0.189 63 E C 0.858 177.475 176.600 0.028 0.000 0.979 63 E CA 0.918 57.343 56.400 0.043 0.000 0.803 63 E CB -0.166 29.558 29.700 0.040 0.000 0.761 63 E HN 0.409 nan 8.360 nan 0.000 0.451 64 K N 0.765 121.177 120.400 0.020 0.000 2.668 64 K HA -0.064 4.257 4.320 0.001 0.000 0.204 64 K C 1.295 177.904 176.600 0.014 0.000 1.016 64 K CA 0.323 56.618 56.287 0.014 0.000 1.131 64 K CB 0.149 32.654 32.500 0.008 0.000 0.891 64 K HN 0.154 nan 8.250 nan 0.000 0.499 65 Q N -0.404 119.408 119.800 0.019 0.000 2.006 65 Q HA 0.178 4.519 4.340 0.001 0.000 0.158 65 Q C -0.864 175.150 176.000 0.024 0.000 0.530 65 Q CA -0.190 55.625 55.803 0.020 0.000 0.784 65 Q CB 0.730 29.480 28.738 0.020 0.000 1.031 65 Q HN 0.155 nan 8.270 nan 0.000 0.368 66 L N 1.665 122.908 121.223 0.032 0.000 2.400 66 L HA 0.555 4.895 4.340 0.001 0.000 0.261 66 L C -0.609 176.286 176.870 0.043 0.000 1.554 66 L CA 0.429 55.289 54.840 0.033 0.000 0.774 66 L CB 0.960 43.037 42.059 0.031 0.000 0.964 66 L HN 0.455 nan 8.230 nan 0.000 0.524 67 G N -0.317 108.511 108.800 0.045 0.000 2.524 67 G HA2 0.544 4.504 3.960 0.001 0.000 0.172 67 G HA3 0.544 4.504 3.960 0.001 0.000 0.172 67 G C 0.826 175.751 174.900 0.043 0.000 1.636 67 G CA 0.589 45.723 45.100 0.056 0.000 0.732 67 G HN 1.022 nan 8.290 nan 0.000 0.753 68 A N 0.908 123.755 122.820 0.046 0.000 1.467 68 A HA -0.316 4.004 4.320 0.001 0.000 0.224 68 A C 1.627 179.229 177.584 0.030 0.000 0.419 68 A CA 2.643 54.700 52.037 0.034 0.000 1.100 68 A CB -2.167 16.848 19.000 0.024 0.000 1.463 68 A HN 1.037 nan 8.150 nan 0.000 0.719 69 D N -0.705 119.709 120.400 0.023 0.000 2.389 69 D HA 0.126 4.766 4.640 0.001 0.000 0.206 69 D C 1.314 177.616 176.300 0.003 0.000 1.055 69 D CA 0.822 54.829 54.000 0.011 0.000 0.856 69 D CB -0.177 40.626 40.800 0.004 0.000 0.957 69 D HN 0.700 nan 8.370 nan 0.000 0.509 70 K N 0.486 120.898 120.400 0.019 0.000 2.400 70 K HA 0.207 4.527 4.320 0.001 0.000 0.194 70 K C 0.794 177.408 176.600 0.022 0.000 1.033 70 K CA 0.305 56.597 56.287 0.009 0.000 1.021 70 K CB 0.640 33.168 32.500 0.048 0.000 0.808 70 K HN 0.049 nan 8.250 nan 0.000 0.505 71 A N 1.030 123.896 122.820 0.077 0.000 3.095 71 A HA 0.547 4.868 4.320 0.001 0.000 0.301 71 A C 0.548 178.179 177.584 0.078 0.000 1.432 71 A CA -0.157 51.974 52.037 0.158 0.000 1.140 71 A CB -0.005 19.099 19.000 0.173 0.000 1.174 71 A HN 0.219 nan 8.150 nan 0.000 0.546 72 A N 0.806 123.618 122.820 -0.014 0.000 2.574 72 A HA 0.236 4.556 4.320 0.001 0.000 0.170 72 A C 1.192 178.717 177.584 -0.099 0.000 1.617 72 A CA 0.697 52.721 52.037 -0.022 0.000 1.189 72 A CB -0.364 18.622 19.000 -0.023 0.000 1.496 72 A HN 0.816 nan 8.150 nan 0.000 0.505 73 I N -0.643 119.759 120.570 -0.280 0.000 2.500 73 I HA 0.119 4.290 4.170 0.001 0.000 0.252 73 I C 1.664 177.479 176.117 -0.503 0.000 1.142 73 I CA 1.463 62.480 61.300 -0.471 0.000 1.451 73 I CB -0.382 37.192 38.000 -0.709 0.000 1.093 73 I HN 0.308 nan 8.210 nan 0.000 0.430 74 F N 0.302 120.202 119.950 -0.084 0.000 2.234 74 F HA -0.103 4.424 4.527 0.000 0.000 0.296 74 F C 2.260 178.102 175.800 0.070 0.000 1.089 74 F CA 0.897 58.912 58.000 0.024 0.000 1.343 74 F CB -0.466 38.565 39.000 0.052 0.000 1.040 74 F HN 0.048 nan 8.300 nan 0.000 0.498 75 D N 0.436 120.952 120.400 0.193 0.000 2.219 75 D HA -0.104 4.536 4.640 0.001 0.000 0.205 75 D C 2.250 178.621 176.300 0.118 0.000 0.970 75 D CA 1.164 55.248 54.000 0.139 0.000 0.851 75 D CB -0.072 40.786 40.800 0.097 0.000 0.943 75 D HN 0.280 nan 8.370 nan 0.000 0.488 76 A N -0.008 122.859 122.820 0.080 0.000 1.898 76 A HA -0.136 4.184 4.320 0.001 0.000 0.214 76 A C 1.877 179.557 177.584 0.159 0.000 1.183 76 A CA 0.999 53.084 52.037 0.081 0.000 0.622 76 A CB -0.761 18.244 19.000 0.009 0.000 0.824 76 A HN 0.316 nan 8.150 nan 0.000 0.444 77 H N -0.732 118.386 119.070 0.079 0.000 2.353 77 H HA -0.029 4.528 4.556 0.001 0.000 0.300 77 H C 1.941 177.328 175.328 0.098 0.000 1.090 77 H CA 1.250 57.357 56.048 0.097 0.000 1.327 77 H CB -0.019 29.836 29.762 0.155 0.000 1.383 77 H HN 0.360 nan 8.280 nan 0.000 0.508 78 L N -0.071 121.296 121.223 0.241 0.000 2.109 78 L HA -0.164 4.177 4.340 0.001 0.000 0.207 78 L C 2.320 179.259 176.870 0.114 0.000 1.086 78 L CA 0.262 55.191 54.840 0.147 0.000 0.760 78 L CB -0.077 42.060 42.059 0.130 0.000 0.910 78 L HN 0.244 nan 8.230 nan 0.000 0.437 79 L N -0.742 120.555 121.223 0.123 0.000 2.131 79 L HA -0.151 4.189 4.340 0.001 0.000 0.210 79 L C 2.313 179.251 176.870 0.114 0.000 1.092 79 L CA 1.489 56.394 54.840 0.107 0.000 0.759 79 L CB -0.267 41.857 42.059 0.109 0.000 0.903 79 L HN -0.062 nan 8.230 nan 0.000 0.435 80 V N -0.363 119.629 119.914 0.130 0.000 2.295 80 V HA -0.310 3.810 4.120 0.001 0.000 0.246 80 V C 2.440 178.591 176.094 0.095 0.000 1.049 80 V CA 1.996 64.374 62.300 0.130 0.000 1.024 80 V CB -0.651 31.253 31.823 0.136 0.000 0.648 80 V HN 0.415 nan 8.190 nan 0.000 0.447 81 L N 0.033 121.301 121.223 0.074 0.000 2.450 81 L HA -0.096 4.244 4.340 0.001 0.000 0.224 81 L C 2.234 179.133 176.870 0.047 0.000 1.149 81 L CA 0.941 55.809 54.840 0.046 0.000 0.816 81 L CB -0.499 41.573 42.059 0.022 0.000 0.932 81 L HN 0.407 nan 8.230 nan 0.000 0.449 82 E N -0.902 119.335 120.200 0.062 0.000 2.472 82 E HA 0.001 4.351 4.350 0.001 0.000 0.196 82 E C 0.295 176.938 176.600 0.071 0.000 1.033 82 E CA 0.043 56.477 56.400 0.057 0.000 0.886 82 E CB -0.003 29.731 29.700 0.056 0.000 0.944 82 E HN 0.276 nan 8.360 nan 0.000 0.492 83 D N 2.956 123.409 120.400 0.089 0.000 2.363 83 D HA -0.008 4.632 4.640 0.001 0.000 0.263 83 D C -1.320 175.039 176.300 0.099 0.000 1.258 83 D CA -1.586 52.481 54.000 0.112 0.000 0.907 83 D CB 1.439 42.335 40.800 0.159 0.000 1.107 83 D HN -0.066 nan 8.370 nan 0.000 0.495 84 P HA -0.116 nan 4.420 nan 0.000 0.221 84 P C 0.657 178.011 177.300 0.091 0.000 1.150 84 P CA 0.843 63.990 63.100 0.079 0.000 0.800 84 P CB 0.363 32.104 31.700 0.068 0.000 0.787 85 E N -0.993 119.290 120.200 0.137 0.000 2.515 85 E HA -0.073 4.277 4.350 0.001 0.000 0.201 85 E C 1.692 178.425 176.600 0.220 0.000 1.071 85 E CA 0.163 56.681 56.400 0.195 0.000 0.880 85 E CB -0.244 29.606 29.700 0.250 0.000 0.828 85 E HN 0.193 nan 8.360 nan 0.000 0.540 86 L N -0.169 121.093 121.223 0.064 0.000 2.433 86 L HA 0.042 4.382 4.340 0.001 0.000 0.200 86 L C 1.691 178.476 176.870 -0.142 0.000 1.059 86 L CA 0.715 55.425 54.840 -0.217 0.000 0.835 86 L CB 0.081 41.988 42.059 -0.253 0.000 1.076 86 L HN -0.021 nan 8.230 nan 0.000 0.481 87 I N -0.009 120.553 120.570 -0.014 0.000 2.133 87 I HA -0.198 3.972 4.170 0.001 0.000 0.238 87 I C 2.504 178.613 176.117 -0.012 0.000 1.074 87 I CA 1.080 62.409 61.300 0.049 0.000 1.342 87 I CB -1.503 36.575 38.000 0.130 0.000 1.053 87 I HN 0.353 nan 8.210 nan 0.000 0.404 88 Q N 0.324 120.130 119.800 0.010 0.000 2.096 88 Q HA -0.194 4.147 4.340 0.001 0.000 0.208 88 Q C 0.043 176.017 176.000 -0.042 0.000 0.993 88 Q CA 2.102 57.904 55.803 -0.002 0.000 0.862 88 Q CB -2.036 26.714 28.738 0.021 0.000 0.915 88 Q HN 0.385 nan 8.270 nan 0.000 0.416 89 P HA -0.105 nan 4.420 nan 0.000 0.216 89 P C 1.422 178.641 177.300 -0.137 0.000 1.150 89 P CA 1.018 64.079 63.100 -0.065 0.000 0.837 89 P CB -0.117 31.561 31.700 -0.036 0.000 0.786 90 I N -0.448 119.986 120.570 -0.226 0.000 2.142 90 I HA -0.239 3.932 4.170 0.001 0.000 0.240 90 I C 2.303 178.213 176.117 -0.346 0.000 1.078 90 I CA 1.599 62.672 61.300 -0.378 0.000 1.343 90 I CB -0.689 36.892 38.000 -0.698 0.000 1.046 90 I HN -0.005 nan 8.210 nan 0.000 0.405 91 E N 0.856 120.889 120.200 -0.278 0.000 2.058 91 E HA -0.253 4.097 4.350 0.001 0.000 0.194 91 E C 1.764 178.304 176.600 -0.099 0.000 0.997 91 E CA 1.550 57.858 56.400 -0.153 0.000 0.801 91 E CB -0.181 29.496 29.700 -0.039 0.000 0.746 91 E HN 0.476 nan 8.360 nan 0.000 0.450 92 D N 0.512 120.865 120.400 -0.079 0.000 2.182 92 D HA -0.174 4.466 4.640 0.001 0.000 0.201 92 D C 1.805 178.069 176.300 -0.061 0.000 0.986 92 D CA 1.029 54.998 54.000 -0.052 0.000 0.847 92 D CB -0.133 40.645 40.800 -0.036 0.000 0.942 92 D HN 0.114 nan 8.370 nan 0.000 0.467 93 K N 0.598 120.944 120.400 -0.089 0.000 2.057 93 K HA -0.055 4.265 4.320 0.001 0.000 0.206 93 K C 2.269 178.821 176.600 -0.079 0.000 1.050 93 K CA 0.572 56.810 56.287 -0.082 0.000 0.935 93 K CB -0.029 32.408 32.500 -0.105 0.000 0.715 93 K HN 0.049 nan 8.250 nan 0.000 0.439 94 I N 1.139 121.646 120.570 -0.106 0.000 2.179 94 I HA -0.314 3.857 4.170 0.001 0.000 0.242 94 I C 2.182 178.271 176.117 -0.048 0.000 1.088 94 I CA 1.451 62.702 61.300 -0.082 0.000 1.357 94 I CB -0.220 37.723 38.000 -0.095 0.000 1.051 94 I HN 0.176 nan 8.210 nan 0.000 0.409 95 K N 0.745 121.120 120.400 -0.042 0.000 1.975 95 K HA -0.076 4.244 4.320 0.001 0.000 0.210 95 K C 1.917 178.504 176.600 -0.021 0.000 1.041 95 K CA 1.428 57.700 56.287 -0.025 0.000 0.942 95 K CB -0.324 32.164 32.500 -0.019 0.000 0.729 95 K HN 0.240 nan 8.250 nan 0.000 0.439 96 N N 1.133 119.819 118.700 -0.023 0.000 2.223 96 N HA -0.172 4.568 4.740 0.001 0.000 0.185 96 N C 1.503 177.003 175.510 -0.017 0.000 1.016 96 N CA 1.284 54.323 53.050 -0.018 0.000 0.863 96 N CB -0.012 38.465 38.487 -0.017 0.000 0.983 96 N HN 0.286 nan 8.380 nan 0.000 0.429 97 E N -0.024 120.162 120.200 -0.023 0.000 2.460 97 E HA 0.107 4.458 4.350 0.001 0.000 0.200 97 E C -0.013 176.577 176.600 -0.017 0.000 1.011 97 E CA -0.074 56.315 56.400 -0.020 0.000 0.912 97 E CB 0.203 29.889 29.700 -0.024 0.000 0.953 97 E HN 0.053 nan 8.360 nan 0.000 0.494 98 S N -0.282 115.406 115.700 -0.020 0.000 3.587 98 S HA -0.162 4.308 4.470 0.001 0.000 0.337 98 S C 0.024 174.615 174.600 -0.015 0.000 1.119 98 S CA 0.364 58.554 58.200 -0.016 0.000 0.976 98 S CB -2.045 61.149 63.200 -0.009 0.000 0.922 98 S HN 0.388 nan 8.310 nan 0.000 0.503 99 V N 0.568 120.468 119.914 -0.023 0.000 2.834 99 V HA 0.651 4.771 4.120 0.001 0.000 0.313 99 V C 0.615 176.689 176.094 -0.033 0.000 1.060 99 V CA -0.565 61.724 62.300 -0.018 0.000 0.989 99 V CB 1.378 33.193 31.823 -0.015 0.000 1.041 99 V HN 0.631 nan 8.190 nan 0.000 0.459 100 N N 1.934 120.618 118.700 -0.028 0.000 2.444 100 N HA 0.329 5.070 4.740 0.001 0.000 0.255 100 N C 1.164 176.615 175.510 -0.099 0.000 1.255 100 N CA -0.109 52.911 53.050 -0.051 0.000 0.933 100 N CB 1.482 39.941 38.487 -0.045 0.000 1.143 100 N HN 0.944 nan 8.380 nan 0.000 0.453 101 A N 1.576 124.339 122.820 -0.095 0.000 1.908 101 A HA -0.195 4.125 4.320 0.001 0.000 0.218 101 A C 2.357 179.825 177.584 -0.193 0.000 1.181 101 A CA 1.993 53.962 52.037 -0.112 0.000 0.627 101 A CB -1.453 17.575 19.000 0.048 0.000 0.818 101 A HN 0.910 nan 8.150 nan 0.000 0.445 102 A N -0.687 121.944 122.820 -0.315 0.000 1.859 102 A HA -0.322 3.999 4.320 0.001 0.000 0.218 102 A C 2.258 179.479 177.584 -0.605 0.000 1.209 102 A CA 2.206 53.837 52.037 -0.677 0.000 0.639 102 A CB -0.851 17.373 19.000 -1.294 0.000 0.835 102 A HN 0.677 nan 8.150 nan 0.000 0.450 103 Q N -0.842 118.739 119.800 -0.364 0.000 2.119 103 Q HA -0.077 4.264 4.340 0.001 0.000 0.201 103 Q C 2.160 178.152 176.000 -0.013 0.000 0.972 103 Q CA 1.477 57.336 55.803 0.093 0.000 0.847 103 Q CB -0.350 28.533 28.738 0.241 0.000 0.903 103 Q HN 0.618 nan 8.270 nan 0.000 0.433 104 A N 1.002 123.756 122.820 -0.111 0.000 1.883 104 A HA -0.200 4.120 4.320 0.001 0.000 0.217 104 A C 1.989 179.452 177.584 -0.202 0.000 1.186 104 A CA 1.500 53.441 52.037 -0.160 0.000 0.624 104 A CB -0.822 18.040 19.000 -0.230 0.000 0.822 104 A HN 0.514 nan 8.150 nan 0.000 0.444 105 L N -0.272 120.816 121.223 -0.225 0.000 1.994 105 L HA -0.106 4.234 4.340 0.001 0.000 0.208 105 L C 2.398 179.210 176.870 -0.096 0.000 1.071 105 L CA 3.006 57.735 54.840 -0.186 0.000 0.745 105 L CB -1.341 40.672 42.059 -0.076 0.000 0.892 105 L HN 0.357 nan 8.230 nan 0.000 0.431 106 T N -0.045 114.498 114.554 -0.019 0.000 2.635 106 T HA -0.206 4.145 4.350 0.001 0.000 0.267 106 T C 1.541 176.254 174.700 0.022 0.000 1.040 106 T CA 1.731 63.869 62.100 0.063 0.000 1.156 106 T CB -0.517 68.503 68.868 0.253 0.000 0.863 106 T HN 0.423 nan 8.240 nan 0.000 0.430 107 D N 0.647 121.056 120.400 0.016 0.000 2.103 107 D HA -0.086 4.554 4.640 0.001 0.000 0.190 107 D C 2.313 178.592 176.300 -0.035 0.000 0.997 107 D CA 0.887 54.885 54.000 -0.003 0.000 0.833 107 D CB -0.728 40.067 40.800 -0.008 0.000 0.961 107 D HN 0.193 nan 8.370 nan 0.000 0.447 108 V N 1.268 121.130 119.914 -0.087 0.000 2.343 108 V HA -0.238 3.883 4.120 0.001 0.000 0.247 108 V C 2.601 178.582 176.094 -0.188 0.000 1.051 108 V CA 2.042 64.263 62.300 -0.131 0.000 1.036 108 V CB -0.767 30.925 31.823 -0.218 0.000 0.654 108 V HN 0.269 nan 8.190 nan 0.000 0.451 109 S N 0.562 116.140 115.700 -0.203 0.000 2.402 109 S HA -0.211 4.259 4.470 0.001 0.000 0.229 109 S C 1.803 176.372 174.600 -0.050 0.000 1.021 109 S CA 1.525 59.605 58.200 -0.199 0.000 0.974 109 S CB -0.649 62.474 63.200 -0.129 0.000 0.800 109 S HN 0.568 nan 8.310 nan 0.000 0.484 110 N N 2.062 120.752 118.700 -0.017 0.000 2.069 110 N HA -0.072 4.669 4.740 0.001 0.000 0.191 110 N C 1.969 177.497 175.510 0.030 0.000 1.031 110 N CA 1.584 54.642 53.050 0.013 0.000 0.852 110 N CB -0.548 37.948 38.487 0.014 0.000 1.018 110 N HN 0.464 nan 8.380 nan 0.000 0.423 111 Q N 0.104 119.934 119.800 0.050 0.000 2.061 111 Q HA -0.086 4.254 4.340 0.001 0.000 0.204 111 Q C 2.193 178.226 176.000 0.055 0.000 0.984 111 Q CA 1.168 57.011 55.803 0.066 0.000 0.846 111 Q CB -0.825 27.976 28.738 0.104 0.000 0.902 111 Q HN 0.496 nan 8.270 nan 0.000 0.421 112 F N 0.606 120.405 119.950 -0.253 0.000 2.102 112 F HA -0.189 4.339 4.527 0.001 0.000 0.298 112 F C 2.373 177.882 175.800 -0.484 0.000 1.105 112 F CA 0.546 58.238 58.000 -0.514 0.000 1.239 112 F CB -0.208 38.492 39.000 -0.500 0.000 0.991 112 F HN 0.005 nan 8.300 nan 0.000 0.474 113 I N -0.528 120.033 120.570 -0.015 0.000 2.208 113 I HA -0.310 3.860 4.170 0.001 0.000 0.245 113 I C 2.278 178.411 176.117 0.028 0.000 1.097 113 I CA 1.474 62.790 61.300 0.027 0.000 1.363 113 I CB -0.851 37.176 38.000 0.045 0.000 1.051 113 I HN 0.140 nan 8.210 nan 0.000 0.413 114 T N 1.437 115.993 114.554 0.003 0.000 2.622 114 T HA -0.145 4.205 4.350 0.001 0.000 0.266 114 T C 1.922 176.631 174.700 0.015 0.000 1.047 114 T CA 1.618 63.724 62.100 0.010 0.000 1.159 114 T CB -0.331 68.537 68.868 0.001 0.000 0.863 114 T HN 0.245 nan 8.240 nan 0.000 0.422 115 I N 0.108 120.655 120.570 -0.037 0.000 2.264 115 I HA -0.141 4.029 4.170 0.001 0.000 0.248 115 I C 2.131 178.357 176.117 0.181 0.000 1.111 115 I CA 1.572 62.871 61.300 -0.001 0.000 1.382 115 I CB -0.505 37.419 38.000 -0.126 0.000 1.060 115 I HN 0.261 nan 8.210 nan 0.000 0.418 116 F N 1.334 121.263 119.950 -0.035 0.000 2.325 116 F HA -0.142 4.386 4.527 0.002 0.000 0.299 116 F C 2.559 178.348 175.800 -0.017 0.000 1.090 116 F CA 0.556 58.537 58.000 -0.032 0.000 1.392 116 F CB -0.081 38.905 39.000 -0.023 0.000 1.053 116 F HN 0.254 nan 8.300 nan 0.000 0.521 117 E N 0.115 120.425 120.200 0.183 0.000 2.299 117 E HA -0.103 4.248 4.350 0.001 0.000 0.193 117 E C 1.514 178.155 176.600 0.068 0.000 0.998 117 E CA 1.012 57.472 56.400 0.100 0.000 0.851 117 E CB -0.335 29.411 29.700 0.077 0.000 0.795 117 E HN 0.218 nan 8.360 nan 0.000 0.492 118 S N 0.081 115.823 115.700 0.071 0.000 2.754 118 S HA 0.155 4.625 4.470 0.001 0.000 0.223 118 S C 1.451 176.077 174.600 0.043 0.000 0.951 118 S CA -0.110 58.119 58.200 0.047 0.000 0.954 118 S CB -0.233 62.991 63.200 0.039 0.000 0.780 118 S HN 0.228 nan 8.310 nan 0.000 0.509 119 M N 0.664 120.293 119.600 0.047 0.000 2.367 119 M HA 0.208 4.688 4.480 0.001 0.000 0.256 119 M C -0.122 176.188 176.300 0.017 0.000 1.091 119 M CA 0.032 55.349 55.300 0.028 0.000 1.049 119 M CB 0.026 32.636 32.600 0.017 0.000 1.406 119 M HN 0.082 nan 8.290 nan 0.000 0.498 120 D N 1.484 121.897 120.400 0.021 0.000 2.931 120 D HA -0.163 4.477 4.640 0.001 0.000 0.228 120 D C -0.528 175.781 176.300 0.014 0.000 1.180 120 D CA 0.834 54.844 54.000 0.017 0.000 0.784 120 D CB -1.156 39.653 40.800 0.016 0.000 1.093 120 D HN 0.433 nan 8.370 nan 0.000 0.421 121 N N 1.268 119.974 118.700 0.010 0.000 2.524 121 N HA 0.036 4.776 4.740 0.001 0.000 0.283 121 N C 1.665 177.192 175.510 0.028 0.000 1.142 121 N CA -0.199 52.862 53.050 0.017 0.000 0.984 121 N CB 0.930 39.426 38.487 0.015 0.000 1.155 121 N HN 0.217 nan 8.380 nan 0.000 0.467 122 E N 1.248 121.475 120.200 0.045 0.000 2.338 122 E HA -0.224 4.126 4.350 0.001 0.000 0.197 122 E C 0.554 177.213 176.600 0.098 0.000 1.007 122 E CA 1.305 57.738 56.400 0.055 0.000 0.849 122 E CB -0.135 29.595 29.700 0.050 0.000 0.774 122 E HN 0.698 nan 8.360 nan 0.000 0.506 123 Y N 0.480 120.751 120.300 -0.048 0.000 2.500 123 Y HA 0.181 4.731 4.550 0.001 0.000 0.284 123 Y C 2.152 177.996 175.900 -0.094 0.000 1.118 123 Y CA 0.439 58.501 58.100 -0.063 0.000 1.241 123 Y CB 0.163 38.580 38.460 -0.072 0.000 1.171 123 Y HN -0.153 nan 8.280 nan 0.000 0.540 124 M N -0.044 119.476 119.600 -0.132 0.000 2.460 124 M HA -0.009 4.471 4.480 0.001 0.000 0.263 124 M C 2.025 178.220 176.300 -0.175 0.000 1.071 124 M CA 1.222 56.346 55.300 -0.293 0.000 1.096 124 M CB -1.485 30.980 32.600 -0.226 0.000 1.408 124 M HN 0.426 nan 8.290 nan 0.000 0.463 125 A N -0.882 121.884 122.820 -0.089 0.000 2.132 125 A HA -0.028 4.292 4.320 0.001 0.000 0.213 125 A C 2.077 179.631 177.584 -0.050 0.000 1.154 125 A CA 1.054 53.078 52.037 -0.021 0.000 0.753 125 A CB -0.226 18.776 19.000 0.002 0.000 0.826 125 A HN 0.361 nan 8.150 nan 0.000 0.469 126 E N 0.639 120.752 120.200 -0.145 0.000 2.170 126 E HA -0.036 4.315 4.350 0.001 0.000 0.191 126 E C 2.044 178.515 176.600 -0.216 0.000 0.981 126 E CA 1.007 57.303 56.400 -0.174 0.000 0.830 126 E CB -0.239 29.332 29.700 -0.216 0.000 0.775 126 E HN 0.546 nan 8.360 nan 0.000 0.470 127 R N -0.047 120.252 120.500 -0.336 0.000 2.066 127 R HA 0.042 4.382 4.340 0.001 0.000 0.232 127 R C 2.320 178.697 176.300 0.128 0.000 1.131 127 R CA 1.201 57.187 56.100 -0.191 0.000 0.955 127 R CB -0.423 29.654 30.300 -0.372 0.000 0.851 127 R HN 0.213 nan 8.270 nan 0.000 0.432 128 A N 1.019 123.964 122.820 0.208 0.000 2.070 128 A HA -0.047 4.273 4.320 0.001 0.000 0.220 128 A C 2.218 179.884 177.584 0.136 0.000 1.159 128 A CA 1.548 53.741 52.037 0.261 0.000 0.656 128 A CB -0.336 18.809 19.000 0.242 0.000 0.800 128 A HN 0.400 nan 8.150 nan 0.000 0.453 129 A N -0.309 122.560 122.820 0.081 0.000 1.975 129 A HA -0.031 4.290 4.320 0.001 0.000 0.215 129 A C 1.697 179.343 177.584 0.102 0.000 1.170 129 A CA 1.388 53.466 52.037 0.067 0.000 0.656 129 A CB -0.236 18.781 19.000 0.029 0.000 0.821 129 A HN 0.432 nan 8.150 nan 0.000 0.449 130 D N 0.315 120.780 120.400 0.109 0.000 2.103 130 D HA -0.065 4.576 4.640 0.001 0.000 0.199 130 D C 1.930 178.344 176.300 0.189 0.000 0.978 130 D CA 0.988 55.111 54.000 0.206 0.000 0.829 130 D CB -0.315 40.581 40.800 0.160 0.000 0.981 130 D HN 0.470 nan 8.370 nan 0.000 0.464 131 I N 0.899 121.561 120.570 0.152 0.000 2.127 131 I HA -0.284 3.886 4.170 0.001 0.000 0.241 131 I C 2.685 178.837 176.117 0.058 0.000 1.075 131 I CA 1.077 62.441 61.300 0.107 0.000 1.334 131 I CB -0.227 37.853 38.000 0.134 0.000 1.040 131 I HN -0.075 nan 8.210 nan 0.000 0.405 132 R N 0.920 121.463 120.500 0.072 0.000 2.105 132 R HA -0.213 4.128 4.340 0.001 0.000 0.239 132 R C 1.708 178.032 176.300 0.041 0.000 1.135 132 R CA 2.106 58.237 56.100 0.052 0.000 0.967 132 R CB -0.127 30.209 30.300 0.060 0.000 0.861 132 R HN 0.314 nan 8.270 nan 0.000 0.442 133 D N -0.757 119.680 120.400 0.063 0.000 2.123 133 D HA -0.118 4.523 4.640 0.001 0.000 0.200 133 D C 1.649 177.872 176.300 -0.129 0.000 0.976 133 D CA 0.955 54.983 54.000 0.046 0.000 0.831 133 D CB 0.071 41.026 40.800 0.259 0.000 0.974 133 D HN 0.083 nan 8.370 nan 0.000 0.469 134 V N -0.446 119.332 119.914 -0.226 0.000 2.788 134 V HA -0.089 4.031 4.120 0.001 0.000 0.251 134 V C 2.110 178.145 176.094 -0.099 0.000 1.068 134 V CA 1.477 63.606 62.300 -0.284 0.000 1.090 134 V CB 0.009 31.670 31.823 -0.270 0.000 0.710 134 V HN 0.131 nan 8.190 nan 0.000 0.467 135 S N -0.337 115.335 115.700 -0.045 0.000 2.399 135 S HA -0.248 4.223 4.470 0.001 0.000 0.231 135 S C 2.081 176.683 174.600 0.004 0.000 1.022 135 S CA 2.096 60.290 58.200 -0.009 0.000 0.983 135 S CB -0.378 62.818 63.200 -0.006 0.000 0.803 135 S HN 0.690 nan 8.310 nan 0.000 0.480 136 K N 0.396 120.793 120.400 -0.005 0.000 2.217 136 K HA -0.005 4.316 4.320 0.001 0.000 0.202 136 K C 2.424 179.018 176.600 -0.011 0.000 1.051 136 K CA 0.752 57.043 56.287 0.006 0.000 0.952 136 K CB -0.111 32.395 32.500 0.009 0.000 0.736 136 K HN 0.271 nan 8.250 nan 0.000 0.453 137 R N 0.121 120.604 120.500 -0.027 0.000 2.062 137 R HA -0.064 4.276 4.340 0.001 0.000 0.229 137 R C 2.077 178.397 176.300 0.033 0.000 1.128 137 R CA 1.263 57.352 56.100 -0.019 0.000 0.960 137 R CB -0.072 30.214 30.300 -0.023 0.000 0.855 137 R HN 0.022 nan 8.270 nan 0.000 0.432 138 V N 1.873 121.812 119.914 0.042 0.000 2.261 138 V HA -0.269 3.851 4.120 0.001 0.000 0.246 138 V C 2.416 178.545 176.094 0.058 0.000 1.047 138 V CA 1.607 63.944 62.300 0.061 0.000 1.015 138 V CB -0.685 31.158 31.823 0.034 0.000 0.642 138 V HN 0.429 nan 8.190 nan 0.000 0.446 139 L N 0.736 121.977 121.223 0.031 0.000 2.043 139 L HA -0.232 4.108 4.340 0.001 0.000 0.212 139 L C 2.486 179.345 176.870 -0.017 0.000 1.075 139 L CA 2.813 57.650 54.840 -0.004 0.000 0.752 139 L CB -1.129 40.937 42.059 0.012 0.000 0.891 139 L HN 0.377 nan 8.230 nan 0.000 0.432 140 A N -1.274 121.527 122.820 -0.032 0.000 1.930 140 A HA -0.230 4.090 4.320 0.001 0.000 0.217 140 A C 2.051 179.569 177.584 -0.110 0.000 1.175 140 A CA 1.274 53.261 52.037 -0.082 0.000 0.627 140 A CB -0.792 18.123 19.000 -0.142 0.000 0.815 140 A HN 0.609 nan 8.150 nan 0.000 0.443 141 H N -0.252 118.797 119.070 -0.036 0.000 2.357 141 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 141 H C 2.094 177.393 175.328 -0.049 0.000 1.082 141 H CA 1.635 57.655 56.048 -0.047 0.000 1.342 141 H CB -0.235 29.487 29.762 -0.067 0.000 1.389 141 H HN 0.485 nan 8.280 nan 0.000 0.511 142 I N 0.639 121.250 120.570 0.068 0.000 2.335 142 I HA -0.252 3.919 4.170 0.001 0.000 0.251 142 I C 1.746 177.852 176.117 -0.018 0.000 1.129 142 I CA 1.091 62.397 61.300 0.011 0.000 1.402 142 I CB -0.071 37.919 38.000 -0.016 0.000 1.069 142 I HN 0.121 nan 8.210 nan 0.000 0.424 143 L N 0.120 121.329 121.223 -0.023 0.000 2.607 143 L HA 0.297 4.637 4.340 0.001 0.000 0.228 143 L C 1.049 177.918 176.870 -0.002 0.000 1.123 143 L CA 0.075 54.905 54.840 -0.016 0.000 0.890 143 L CB -0.104 41.955 42.059 -0.001 0.000 1.103 143 L HN 0.369 nan 8.230 nan 0.000 0.468 144 G N 1.478 110.278 108.800 -0.001 0.000 2.385 144 G HA2 -0.201 3.760 3.960 0.001 0.000 0.294 144 G HA3 -0.201 3.760 3.960 0.001 0.000 0.294 144 G C -0.435 174.454 174.900 -0.018 0.000 1.070 144 G CA -0.048 45.052 45.100 0.001 0.000 1.172 144 G HN 0.098 nan 8.290 nan 0.000 0.516 145 V N 1.065 120.949 119.914 -0.050 0.000 2.419 145 V HA 0.278 4.398 4.120 0.001 0.000 0.287 145 V C 0.366 176.404 176.094 -0.093 0.000 1.017 145 V CA -1.004 61.265 62.300 -0.052 0.000 0.844 145 V CB 1.599 33.402 31.823 -0.034 0.000 1.011 145 V HN 0.564 nan 8.190 nan 0.000 0.429 146 E N 5.014 125.172 120.200 -0.070 0.000 2.328 146 E HA 0.291 4.641 4.350 0.001 0.000 0.265 146 E C -0.639 175.920 176.600 -0.069 0.000 1.057 146 E CA -0.323 56.030 56.400 -0.078 0.000 0.916 146 E CB 0.635 30.310 29.700 -0.041 0.000 0.993 146 E HN 0.508 nan 8.360 nan 0.000 0.446 147 L N 1.549 122.717 121.223 -0.091 0.000 2.334 147 L HA 0.647 4.987 4.340 0.001 0.000 0.270 147 L C -2.498 174.351 176.870 -0.035 0.000 1.018 147 L CA -2.958 51.847 54.840 -0.058 0.000 0.811 147 L CB -0.585 41.433 42.059 -0.068 0.000 1.271 147 L HN 0.169 nan 8.230 nan 0.000 0.443 148 P HA 0.251 nan 4.420 nan 0.000 0.266 148 P C -1.293 176.011 177.300 0.007 0.000 1.193 148 P CA 0.378 63.479 63.100 0.001 0.000 0.770 148 P CB 0.228 31.936 31.700 0.012 0.000 0.836 149 N N 0.139 118.844 118.700 0.008 0.000 3.348 149 N HA 0.408 5.148 4.740 0.001 0.000 0.233 149 N C -3.003 172.509 175.510 0.003 0.000 1.440 149 N CA -1.346 51.709 53.050 0.007 0.000 0.887 149 N CB -0.402 38.082 38.487 -0.006 0.000 1.410 149 N HN 0.118 nan 8.380 nan 0.000 0.502 158 V N 3.200 123.115 119.914 0.002 0.000 2.266 158 V HA 0.906 5.027 4.120 0.001 0.000 0.271 158 V C 0.680 176.775 176.094 0.002 0.000 1.032 158 V CA -0.300 62.002 62.300 0.002 0.000 0.806 158 V CB 0.857 32.677 31.823 -0.006 0.000 1.052 158 V HN 2.573 nan 8.190 nan 0.000 0.449 159 I N 4.371 124.945 120.570 0.007 0.000 2.880 159 I HA 0.598 4.768 4.170 0.001 0.000 0.296 159 I C 0.207 176.327 176.117 0.005 0.000 1.220 159 I CA 0.744 62.049 61.300 0.008 0.000 1.435 159 I CB -0.331 37.677 38.000 0.014 0.000 1.339 159 I HN 1.121 nan 8.210 nan 0.000 0.583 160 I N 3.097 123.669 120.570 0.004 0.000 2.644 160 I HA 0.888 5.059 4.170 0.001 0.000 0.291 160 I C -0.234 175.885 176.117 0.004 0.000 1.180 160 I CA -0.646 60.655 61.300 0.002 0.000 1.040 160 I CB 1.733 39.731 38.000 -0.003 0.000 1.255 160 I HN 1.055 nan 8.210 nan 0.000 0.422 161 G N 2.260 111.063 108.800 0.005 0.000 2.695 161 G HA2 0.527 4.487 3.960 0.001 0.000 0.290 161 G HA3 0.527 4.487 3.960 0.001 0.000 0.290 161 G C 0.008 174.911 174.900 0.006 0.000 1.410 161 G CA -0.202 44.903 45.100 0.007 0.000 0.844 161 G HN 0.831 nan 8.290 nan 0.000 0.478 162 N N -1.151 117.553 118.700 0.007 0.000 2.039 162 N HA 0.234 4.975 4.740 0.001 0.000 0.193 162 N C 1.213 176.727 175.510 0.007 0.000 1.044 162 N CA 2.715 55.768 53.050 0.006 0.000 0.847 162 N CB -1.056 37.435 38.487 0.006 0.000 1.030 162 N HN 1.121 nan 8.380 nan 0.000 0.422 163 D N -2.322 118.084 120.400 0.009 0.000 2.538 163 D HA 0.804 5.444 4.640 0.001 0.000 0.262 163 D C 0.109 176.415 176.300 0.011 0.000 1.186 163 D CA 0.403 54.409 54.000 0.010 0.000 1.090 163 D CB 0.012 40.818 40.800 0.011 0.000 1.187 163 D HN 1.167 nan 8.370 nan 0.000 0.614 164 L N 0.374 121.604 121.223 0.012 0.000 2.470 164 L HA 0.864 5.204 4.340 0.001 0.000 0.253 164 L C 0.785 177.664 176.870 0.015 0.000 1.163 164 L CA -0.123 54.725 54.840 0.013 0.000 0.932 164 L CB 0.145 42.210 42.059 0.011 0.000 1.213 164 L HN 1.177 nan 8.230 nan 0.000 0.485 165 T N 1.099 115.664 114.554 0.018 0.000 2.752 165 T HA 0.554 4.904 4.350 0.001 0.000 0.295 165 T C -0.452 174.260 174.700 0.020 0.000 0.923 165 T CA -0.501 61.611 62.100 0.020 0.000 1.112 165 T CB 0.125 69.008 68.868 0.026 0.000 0.884 165 T HN 0.708 nan 8.240 nan 0.000 0.525 166 P HA 0.575 nan 4.420 nan 0.000 0.255 166 P C 1.120 178.426 177.300 0.011 0.000 1.357 166 P CA 1.337 64.445 63.100 0.013 0.000 0.839 166 P CB -0.496 31.209 31.700 0.009 0.000 1.356 167 S N -2.079 113.631 115.700 0.016 0.000 2.918 167 S HA 0.315 4.786 4.470 0.001 0.000 0.264 167 S C 1.861 176.484 174.600 0.038 0.000 1.078 167 S CA 1.516 59.723 58.200 0.012 0.000 0.918 167 S CB -0.131 63.065 63.200 -0.008 0.000 0.882 167 S HN 0.297 nan 8.310 nan 0.000 0.466 168 D N 0.955 121.383 120.400 0.046 0.000 2.144 168 D HA 0.311 4.951 4.640 0.001 0.000 0.200 168 D C 1.442 177.782 176.300 0.066 0.000 0.978 168 D CA 1.688 55.728 54.000 0.066 0.000 0.833 168 D CB -1.281 39.552 40.800 0.055 0.000 0.961 168 D HN 0.716 nan 8.370 nan 0.000 0.470 169 T N -1.361 113.222 114.554 0.049 0.000 4.104 169 T HA 0.622 4.972 4.350 0.001 0.000 0.285 169 T C 0.839 175.569 174.700 0.050 0.000 1.346 169 T CA 0.634 62.760 62.100 0.045 0.000 1.158 169 T CB -0.398 68.490 68.868 0.033 0.000 1.290 169 T HN 0.900 nan 8.240 nan 0.000 0.975 170 A N -0.115 122.745 122.820 0.067 0.000 2.260 170 A HA 0.459 4.779 4.320 0.001 0.000 0.153 170 A C 2.038 179.681 177.584 0.097 0.000 1.906 170 A CA 1.331 53.414 52.037 0.076 0.000 1.444 170 A CB -0.811 18.236 19.000 0.078 0.000 1.615 170 A HN 0.783 nan 8.150 nan 0.000 0.356 171 Q N -0.155 119.716 119.800 0.118 0.000 2.061 171 Q HA 0.355 4.696 4.340 0.001 0.000 0.204 171 Q C 1.654 177.683 176.000 0.049 0.000 0.984 171 Q CA 2.338 58.207 55.803 0.110 0.000 0.846 171 Q CB -1.927 26.880 28.738 0.116 0.000 0.902 171 Q HN 2.099 nan 8.270 nan 0.000 0.421 172 L N 0.570 121.819 121.223 0.043 0.000 2.483 172 L HA 0.550 4.891 4.340 0.001 0.000 0.276 172 L C 0.686 177.572 176.870 0.026 0.000 1.213 172 L CA 0.085 54.941 54.840 0.026 0.000 0.843 172 L CB -1.626 40.448 42.059 0.026 0.000 1.107 172 L HN 0.959 nan 8.230 nan 0.000 0.487 173 N N 1.451 120.162 118.700 0.017 0.000 2.420 173 N HA 0.500 5.240 4.740 0.001 0.000 0.262 173 N C 1.299 176.822 175.510 0.023 0.000 1.144 173 N CA 0.378 53.438 53.050 0.018 0.000 0.952 173 N CB 0.333 38.827 38.487 0.010 0.000 1.081 173 N HN 1.579 nan 8.380 nan 0.000 0.480 174 K N 0.227 120.643 120.400 0.028 0.000 2.286 174 K HA -0.086 4.234 4.320 0.001 0.000 0.203 174 K C 2.129 178.747 176.600 0.031 0.000 1.045 174 K CA 2.280 58.586 56.287 0.031 0.000 0.935 174 K CB -1.485 31.035 32.500 0.033 0.000 0.737 174 K HN 1.024 nan 8.250 nan 0.000 0.460 175 E N -1.236 118.980 120.200 0.026 0.000 2.001 175 E HA -0.077 4.273 4.350 0.001 0.000 0.193 175 E C 2.436 179.050 176.600 0.023 0.000 0.994 175 E CA 1.944 58.358 56.400 0.024 0.000 0.815 175 E CB -1.485 28.225 29.700 0.018 0.000 0.770 175 E HN 1.241 nan 8.360 nan 0.000 0.453 176 Y N -0.244 120.066 120.300 0.017 0.000 2.497 176 Y HA 0.451 5.002 4.550 0.001 0.000 0.292 176 Y C 2.477 178.387 175.900 0.018 0.000 1.137 176 Y CA 1.307 59.415 58.100 0.014 0.000 1.285 176 Y CB -1.031 37.434 38.460 0.008 0.000 0.991 176 Y HN 0.617 nan 8.280 nan 0.000 0.556 177 V N 1.279 121.207 119.914 0.023 0.000 3.299 177 V HA 0.438 4.558 4.120 0.001 0.000 0.369 177 V C 0.801 176.915 176.094 0.034 0.000 1.245 177 V CA 0.662 62.978 62.300 0.026 0.000 1.459 177 V CB -1.928 29.912 31.823 0.029 0.000 1.203 177 V HN 0.823 nan 8.190 nan 0.000 0.451 178 Q N 0.211 120.031 119.800 0.034 0.000 2.447 178 Q HA 0.677 5.018 4.340 0.001 0.000 0.180 178 Q C 1.483 177.509 176.000 0.044 0.000 1.135 178 Q CA 0.751 56.582 55.803 0.047 0.000 1.206 178 Q CB -0.569 28.192 28.738 0.040 0.000 1.351 178 Q HN 2.429 nan 8.270 nan 0.000 0.646 179 G N -2.851 105.982 108.800 0.054 0.000 2.564 179 G HA2 0.276 4.236 3.960 0.001 0.000 0.273 179 G HA3 0.276 4.236 3.960 0.001 0.000 0.273 179 G C 0.432 175.358 174.900 0.042 0.000 1.242 179 G CA 1.344 46.470 45.100 0.044 0.000 0.951 179 G HN 2.202 nan 8.290 nan 0.000 0.564 180 F N -1.861 118.104 119.950 0.025 0.000 2.846 180 F HA 1.037 5.564 4.527 0.001 0.000 0.388 180 F C 1.042 176.851 175.800 0.015 0.000 1.259 180 F CA 0.206 58.217 58.000 0.019 0.000 1.118 180 F CB 1.078 40.083 39.000 0.008 0.000 1.512 180 F HN 2.135 nan 8.300 nan 0.000 0.502 181 V N 1.005 120.926 119.914 0.011 0.000 2.791 181 V HA 0.631 4.752 4.120 0.001 0.000 0.258 181 V C -0.228 175.870 176.094 0.006 0.000 0.875 181 V CA 0.056 62.362 62.300 0.010 0.000 0.922 181 V CB 0.398 32.230 31.823 0.015 0.000 1.034 181 V HN 1.925 nan 8.190 nan 0.000 0.492 182 T N 0.922 115.477 114.554 0.002 0.000 2.794 182 T HA 0.670 5.020 4.350 0.001 0.000 0.304 182 T C 0.588 175.288 174.700 0.001 0.000 0.973 182 T CA 0.587 62.687 62.100 -0.000 0.000 0.972 182 T CB -0.151 68.713 68.868 -0.005 0.000 0.952 182 T HN 1.452 nan 8.240 nan 0.000 0.509 183 N N 1.130 119.832 118.700 0.003 0.000 2.605 183 N HA 0.776 5.516 4.740 0.001 0.000 0.277 183 N C 0.970 176.482 175.510 0.002 0.000 1.355 183 N CA 0.658 53.710 53.050 0.004 0.000 0.849 183 N CB -0.090 38.401 38.487 0.006 0.000 1.111 183 N HN 1.345 nan 8.380 nan 0.000 0.441 184 I N -1.710 118.862 120.570 0.004 0.000 3.064 184 I HA 0.671 4.841 4.170 0.001 0.000 0.323 184 I C 0.985 177.105 176.117 0.004 0.000 1.501 184 I CA 0.384 61.686 61.300 0.003 0.000 0.890 184 I CB -0.334 37.667 38.000 0.002 0.000 1.602 184 I HN 2.004 nan 8.210 nan 0.000 0.586 190 H N -0.590 118.486 119.070 0.009 0.000 2.545 190 H HA 0.530 5.087 4.556 0.001 0.000 0.282 190 H C 2.346 177.682 175.328 0.012 0.000 1.020 190 H CA 2.732 58.786 56.048 0.011 0.000 1.243 190 H CB -0.708 29.060 29.762 0.011 0.000 1.377 190 H HN 1.311 nan 8.280 nan 0.000 0.581 191 S N 0.146 115.853 115.700 0.011 0.000 2.398 191 S HA 0.441 4.911 4.470 0.001 0.000 0.220 191 S C 2.552 177.159 174.600 0.012 0.000 1.046 191 S CA 0.987 59.195 58.200 0.012 0.000 0.953 191 S CB -0.532 62.674 63.200 0.011 0.000 0.856 191 S HN 0.983 nan 8.310 nan 0.000 0.506 192 A N 1.029 123.855 122.820 0.010 0.000 2.178 192 A HA 0.356 4.677 4.320 0.001 0.000 0.218 192 A C 2.231 179.821 177.584 0.011 0.000 1.157 192 A CA 1.436 53.479 52.037 0.009 0.000 0.689 192 A CB -1.283 17.722 19.000 0.008 0.000 0.787 192 A HN 1.008 nan 8.150 nan 0.000 0.465 193 I N -1.220 119.357 120.570 0.011 0.000 2.130 193 I HA 0.008 4.179 4.170 0.001 0.000 0.232 193 I C 2.496 178.621 176.117 0.014 0.000 1.064 193 I CA 2.040 63.347 61.300 0.012 0.000 1.338 193 I CB -1.140 36.867 38.000 0.011 0.000 1.084 193 I HN 0.482 nan 8.210 nan 0.000 0.404 194 M N 0.910 120.520 119.600 0.016 0.000 2.632 194 M HA -0.042 4.438 4.480 0.001 0.000 0.256 194 M C 2.477 178.789 176.300 0.020 0.000 1.080 194 M CA 1.364 56.675 55.300 0.019 0.000 1.084 194 M CB -0.351 32.262 32.600 0.021 0.000 1.439 194 M HN 0.724 nan 8.290 nan 0.000 0.509 195 S N 1.041 116.751 115.700 0.018 0.000 2.353 195 S HA -0.217 4.253 4.470 0.001 0.000 0.222 195 S C 2.152 176.764 174.600 0.020 0.000 1.035 195 S CA 2.390 60.601 58.200 0.017 0.000 1.025 195 S CB -0.723 62.484 63.200 0.012 0.000 0.902 195 S HN 0.658 nan 8.310 nan 0.000 0.440 196 R N 0.225 120.736 120.500 0.018 0.000 2.254 196 R HA 0.603 4.943 4.340 0.001 0.000 0.195 196 R C 2.618 178.930 176.300 0.021 0.000 0.957 196 R CA 1.527 57.639 56.100 0.021 0.000 1.024 196 R CB -1.729 28.581 30.300 0.018 0.000 0.952 196 R HN 0.751 nan 8.270 nan 0.000 0.484 197 S N 0.719 116.430 115.700 0.019 0.000 2.368 197 S HA 0.244 4.714 4.470 0.001 0.000 0.224 197 S C 2.336 176.949 174.600 0.022 0.000 1.029 197 S CA 1.847 60.058 58.200 0.018 0.000 0.988 197 S CB -0.489 62.721 63.200 0.017 0.000 0.838 197 S HN 1.043 nan 8.310 nan 0.000 0.462 198 L N -0.106 121.134 121.223 0.028 0.000 2.599 198 L HA 0.626 4.966 4.340 0.001 0.000 0.230 198 L C 1.563 178.459 176.870 0.043 0.000 1.141 198 L CA 1.993 56.854 54.840 0.035 0.000 0.877 198 L CB -2.252 39.830 42.059 0.037 0.000 1.009 198 L HN 1.272 nan 8.230 nan 0.000 0.447 199 E N -2.372 117.851 120.200 0.038 0.000 2.722 199 E HA 0.030 4.381 4.350 0.001 0.000 0.265 199 E C 0.710 177.351 176.600 0.069 0.000 1.081 199 E CA 1.545 57.972 56.400 0.045 0.000 0.781 199 E CB -3.016 26.703 29.700 0.032 0.000 1.372 199 E HN 2.498 nan 8.360 nan 0.000 0.423 200 I N -2.446 118.163 120.570 0.064 0.000 3.842 200 I HA 1.005 5.175 4.170 0.001 0.000 0.273 200 I C -0.974 175.170 176.117 0.045 0.000 1.348 200 I CA -1.180 60.166 61.300 0.077 0.000 0.948 200 I CB 0.963 39.002 38.000 0.065 0.000 1.534 200 I HN 0.640 nan 8.210 nan 0.000 0.656 201 P HA 0.802 nan 4.420 nan 0.000 0.284 201 P C 0.042 177.340 177.300 -0.003 0.000 1.287 201 P CA 1.002 64.096 63.100 -0.010 0.000 0.824 201 P CB 1.861 33.552 31.700 -0.015 0.000 1.180 202 A N -0.218 122.593 122.820 -0.016 0.000 1.714 202 A HA 0.786 5.106 4.320 0.001 0.000 0.158 202 A C 1.336 178.915 177.584 -0.009 0.000 1.763 202 A CA 1.446 53.478 52.037 -0.007 0.000 1.419 202 A CB -0.622 18.374 19.000 -0.005 0.000 1.113 202 A HN 1.954 nan 8.150 nan 0.000 0.895 206 T N -0.836 113.719 114.554 0.001 0.000 3.051 206 T HA 0.816 5.167 4.350 0.001 0.000 0.356 206 T C 1.291 175.992 174.700 0.001 0.000 1.204 206 T CA 1.832 63.932 62.100 0.000 0.000 0.990 206 T CB 0.376 69.243 68.868 -0.002 0.000 1.628 206 T HN 1.185 nan 8.240 nan 0.000 0.550 207 K N -1.408 118.992 120.400 0.000 0.000 3.105 207 K HA 0.714 5.035 4.320 0.001 0.000 0.209 207 K C 1.825 178.425 176.600 -0.000 0.000 1.828 207 K CA 1.178 57.466 56.287 0.000 0.000 1.382 207 K CB -0.706 31.794 32.500 0.001 0.000 2.153 207 K HN 1.280 nan 8.250 nan 0.000 0.588 208 S N 0.950 116.650 115.700 -0.001 0.000 2.582 208 S HA 0.575 5.045 4.470 0.001 0.000 0.249 208 S C 1.601 176.199 174.600 -0.003 0.000 1.072 208 S CA 0.465 58.664 58.200 -0.002 0.000 1.115 208 S CB -1.146 62.052 63.200 -0.002 0.000 0.790 208 S HN 1.290 nan 8.310 nan 0.000 0.459 209 I N -0.552 120.016 120.570 -0.004 0.000 3.428 209 I HA 0.393 4.564 4.170 0.001 0.000 0.286 209 I C 2.425 178.539 176.117 -0.005 0.000 1.287 209 I CA 1.505 62.801 61.300 -0.005 0.000 1.396 209 I CB -1.816 36.180 38.000 -0.005 0.000 1.062 209 I HN 0.522 nan 8.210 nan 0.000 0.471 210 T N -0.029 114.523 114.554 -0.003 0.000 3.051 210 T HA 0.274 4.624 4.350 0.001 0.000 0.269 210 T C 1.252 175.949 174.700 -0.004 0.000 1.127 210 T CA 1.620 63.718 62.100 -0.003 0.000 1.107 210 T CB -0.537 68.330 68.868 -0.002 0.000 0.898 210 T HN 1.074 nan 8.240 nan 0.000 0.517 211 E N 0.097 120.294 120.200 -0.005 0.000 3.896 211 E HA 0.626 4.976 4.350 0.001 0.000 0.217 211 E C 0.511 177.106 176.600 -0.008 0.000 1.150 211 E CA 0.489 56.885 56.400 -0.006 0.000 1.338 211 E CB -1.032 28.665 29.700 -0.005 0.000 1.242 211 E HN 0.847 nan 8.360 nan 0.000 0.435 212 E N -0.230 119.964 120.200 -0.010 0.000 3.286 212 E HA 0.783 5.134 4.350 0.001 0.000 0.370 212 E C 1.323 177.915 176.600 -0.014 0.000 0.516 212 E CA 0.589 56.981 56.400 -0.013 0.000 1.885 212 E CB -0.804 28.887 29.700 -0.016 0.000 2.150 212 E HN 1.300 nan 8.360 nan 0.000 0.509 213 V N -0.294 119.610 119.914 -0.016 0.000 2.997 213 V HA 0.721 4.841 4.120 0.001 0.000 0.311 213 V C 0.890 176.977 176.094 -0.013 0.000 1.066 213 V CA 0.150 62.440 62.300 -0.017 0.000 1.039 213 V CB 0.442 32.253 31.823 -0.021 0.000 1.081 213 V HN 0.970 nan 8.190 nan 0.000 0.467 214 E N 1.091 121.284 120.200 -0.012 0.000 3.473 214 E HA 0.503 4.853 4.350 0.001 0.000 0.309 214 E C 1.550 178.144 176.600 -0.009 0.000 1.502 214 E CA 0.573 56.968 56.400 -0.010 0.000 1.525 214 E CB -0.261 29.434 29.700 -0.009 0.000 1.183 214 E HN 2.195 nan 8.360 nan 0.000 0.757 215 A N -0.948 121.868 122.820 -0.008 0.000 2.168 215 A HA 0.276 4.596 4.320 0.001 0.000 0.215 215 A C 2.276 179.855 177.584 -0.008 0.000 1.152 215 A CA 1.814 53.846 52.037 -0.007 0.000 0.716 215 A CB -0.656 18.341 19.000 -0.006 0.000 0.794 215 A HN 0.839 nan 8.150 nan 0.000 0.465 216 G N -0.659 108.135 108.800 -0.009 0.000 2.473 216 G HA2 0.290 4.251 3.960 0.001 0.000 0.212 216 G HA3 0.290 4.251 3.960 0.001 0.000 0.212 216 G C 0.764 175.657 174.900 -0.013 0.000 1.211 216 G CA 1.366 46.460 45.100 -0.010 0.000 0.813 216 G HN 1.231 nan 8.290 nan 0.000 0.541 220 V N 1.503 121.352 119.914 -0.109 0.000 2.462 220 V HA 0.914 5.035 4.120 0.001 0.000 0.288 220 V C 0.912 176.939 176.094 -0.112 0.000 1.020 220 V CA 0.415 62.627 62.300 -0.146 0.000 0.857 220 V CB 0.630 32.265 31.823 -0.314 0.000 1.013 220 V HN 2.780 nan 8.190 nan 0.000 0.431 221 V N 3.769 123.655 119.914 -0.047 0.000 2.271 221 V HA 0.269 4.389 4.120 0.001 0.000 0.221 221 V C 1.484 177.580 176.094 0.005 0.000 0.991 221 V CA 3.256 65.544 62.300 -0.021 0.000 1.008 221 V CB -0.881 30.938 31.823 -0.007 0.000 0.653 221 V HN 2.656 nan 8.190 nan 0.000 0.473 228 V N 0.031 119.865 119.914 -0.135 0.000 2.328 228 V HA 1.080 5.200 4.120 0.001 0.000 0.278 228 V C 0.669 176.677 176.094 -0.144 0.000 1.021 228 V CA 0.340 62.541 62.300 -0.165 0.000 0.838 228 V CB 0.679 32.315 31.823 -0.312 0.000 0.999 228 V HN 2.295 nan 8.190 nan 0.000 0.447 233 S N -2.022 113.651 115.700 -0.045 0.000 2.691 233 S HA 0.472 4.943 4.470 0.001 0.000 0.258 233 S C 1.577 176.167 174.600 -0.017 0.000 1.078 233 S CA 2.157 60.340 58.200 -0.029 0.000 1.000 233 S CB 0.029 63.211 63.200 -0.029 0.000 0.942 233 S HN 2.323 nan 8.310 nan 0.000 0.521 234 D N -1.125 119.264 120.400 -0.019 0.000 3.006 234 D HA -0.125 4.515 4.640 0.001 0.000 0.208 234 D C 1.106 177.406 176.300 0.001 0.000 1.116 234 D CA 3.002 56.997 54.000 -0.009 0.000 0.998 234 D CB -2.360 38.435 40.800 -0.009 0.000 1.124 234 D HN 1.246 nan 8.370 nan 0.000 0.413 235 E N -1.161 119.043 120.200 0.006 0.000 2.280 235 E HA 0.495 4.846 4.350 0.001 0.000 0.197 235 E C 2.373 178.993 176.600 0.033 0.000 0.913 235 E CA 1.693 58.103 56.400 0.016 0.000 0.995 235 E CB -0.497 29.212 29.700 0.015 0.000 0.991 235 E HN 1.767 nan 8.360 nan 0.000 0.484 236 V N -1.387 118.553 119.914 0.044 0.000 3.544 236 V HA 0.483 4.604 4.120 0.001 0.000 0.304 236 V C 2.238 178.404 176.094 0.119 0.000 1.256 236 V CA 0.739 63.096 62.300 0.095 0.000 1.232 236 V CB -0.938 30.963 31.823 0.130 0.000 1.065 236 V HN 0.654 nan 8.190 nan 0.000 0.423 237 I N -0.768 119.837 120.570 0.060 0.000 3.564 237 I HA 0.627 4.798 4.170 0.001 0.000 0.294 237 I C 2.347 178.509 176.117 0.075 0.000 1.289 237 I CA 1.402 62.731 61.300 0.048 0.000 1.325 237 I CB -0.779 37.227 38.000 0.010 0.000 1.039 237 I HN 0.582 nan 8.210 nan 0.000 0.474 238 A N -0.654 122.215 122.820 0.081 0.000 1.973 238 A HA 0.084 4.404 4.320 0.001 0.000 0.210 238 A C 2.056 179.687 177.584 0.079 0.000 1.200 238 A CA 0.865 52.940 52.037 0.064 0.000 0.707 238 A CB -0.322 18.703 19.000 0.041 0.000 0.862 238 A HN 0.601 nan 8.150 nan 0.000 0.461 239 E N -0.654 119.609 120.200 0.105 0.000 2.023 239 E HA -0.228 4.123 4.350 0.001 0.000 0.196 239 E C 1.682 178.302 176.600 0.033 0.000 1.003 239 E CA 1.786 58.218 56.400 0.053 0.000 0.809 239 E CB -0.369 29.356 29.700 0.043 0.000 0.755 239 E HN 0.740 nan 8.360 nan 0.000 0.449 240 Y N 0.874 121.180 120.300 0.009 0.000 2.352 240 Y HA -0.152 4.399 4.550 0.001 0.000 0.292 240 Y C 2.528 178.438 175.900 0.018 0.000 1.136 240 Y CA 0.824 58.932 58.100 0.012 0.000 1.227 240 Y CB -0.128 38.334 38.460 0.004 0.000 0.991 240 Y HN 0.037 nan 8.280 nan 0.000 0.545 241 Q N 0.905 120.804 119.800 0.164 0.000 2.084 241 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 241 Q C 1.818 177.854 176.000 0.060 0.000 0.978 241 Q CA 2.131 57.986 55.803 0.086 0.000 0.844 241 Q CB -0.080 28.691 28.738 0.056 0.000 0.898 241 Q HN 0.779 nan 8.270 nan 0.000 0.426 242 E N -0.772 119.459 120.200 0.052 0.000 2.385 242 E HA -0.034 4.316 4.350 0.001 0.000 0.194 242 E C 1.641 178.270 176.600 0.049 0.000 1.013 242 E CA 0.609 57.032 56.400 0.039 0.000 0.866 242 E CB -0.130 29.585 29.700 0.024 0.000 0.832 242 E HN 0.070 nan 8.360 nan 0.000 0.500 243 K N 0.888 121.312 120.400 0.041 0.000 2.432 243 K HA 0.003 4.323 4.320 0.001 0.000 0.196 243 K C 2.116 178.792 176.600 0.126 0.000 1.038 243 K CA 0.421 56.727 56.287 0.032 0.000 0.986 243 K CB 0.097 32.547 32.500 -0.083 0.000 0.782 243 K HN 0.092 nan 8.250 nan 0.000 0.485 244 R N 0.705 121.298 120.500 0.154 0.000 2.112 244 R HA -0.005 4.336 4.340 0.001 0.000 0.216 244 R C 0.801 177.284 176.300 0.304 0.000 1.080 244 R CA 0.950 57.209 56.100 0.265 0.000 0.996 244 R CB 0.232 30.623 30.300 0.152 0.000 0.902 244 R HN 0.179 nan 8.270 nan 0.000 0.449 245 E N -0.109 120.178 120.200 0.145 0.000 2.485 245 E HA -0.084 4.267 4.350 0.001 0.000 0.194 245 E C 0.381 177.064 176.600 0.138 0.000 1.098 245 E CA 0.188 56.656 56.400 0.112 0.000 0.878 245 E CB 0.129 29.853 29.700 0.040 0.000 0.939 245 E HN 0.305 nan 8.360 nan 0.000 0.503 246 N N -0.592 118.219 118.700 0.185 0.000 2.382 246 N HA -0.017 4.724 4.740 0.001 0.000 0.200 246 N C 0.989 176.618 175.510 0.199 0.000 1.122 246 N CA -0.011 53.127 53.050 0.145 0.000 0.870 246 N CB 0.152 38.703 38.487 0.107 0.000 1.176 246 N HN 0.052 nan 8.380 nan 0.000 0.474 247 F N -0.011 120.020 119.950 0.135 0.000 2.179 247 F HA 0.237 4.764 4.527 0.001 0.000 0.292 247 F C 1.174 177.005 175.800 0.051 0.000 1.089 247 F CA 1.061 59.110 58.000 0.082 0.000 1.295 247 F CB -0.300 38.758 39.000 0.097 0.000 1.041 247 F HN -0.061 nan 8.300 nan 0.000 0.487 248 F N 1.008 120.942 119.950 -0.026 0.000 2.325 248 F HA 0.002 4.529 4.527 0.000 0.000 0.299 248 F C 2.416 178.146 175.800 -0.116 0.000 1.090 248 F CA 1.216 59.139 58.000 -0.127 0.000 1.392 248 F CB -0.845 38.160 39.000 0.008 0.000 1.053 248 F HN -0.064 nan 8.300 nan 0.000 0.521 249 K N 0.734 121.210 120.400 0.126 0.000 2.002 249 K HA -0.211 4.109 4.320 0.001 0.000 0.209 249 K C 1.525 178.113 176.600 -0.021 0.000 1.048 249 K CA 2.301 58.619 56.287 0.052 0.000 0.930 249 K CB -0.294 32.240 32.500 0.057 0.000 0.714 249 K HN 0.095 nan 8.250 nan 0.000 0.438 250 D N 0.267 120.631 120.400 -0.060 0.000 2.084 250 D HA -0.167 4.474 4.640 0.001 0.000 0.194 250 D C 1.800 178.012 176.300 -0.146 0.000 0.990 250 D CA 1.393 55.337 54.000 -0.094 0.000 0.826 250 D CB -0.026 40.714 40.800 -0.099 0.000 0.971 250 D HN 0.218 nan 8.370 nan 0.000 0.453 251 K N -0.011 120.232 120.400 -0.262 0.000 2.152 251 K HA -0.237 4.083 4.320 0.001 0.000 0.206 251 K C 1.945 178.448 176.600 -0.162 0.000 1.048 251 K CA 1.211 57.331 56.287 -0.279 0.000 0.933 251 K CB 0.120 32.326 32.500 -0.489 0.000 0.721 251 K HN -0.020 nan 8.250 nan 0.000 0.447 252 Q N 0.732 120.468 119.800 -0.107 0.000 2.033 252 Q HA -0.059 4.282 4.340 0.001 0.000 0.196 252 Q C 1.468 177.442 176.000 -0.043 0.000 0.970 252 Q CA 1.677 57.450 55.803 -0.048 0.000 0.828 252 Q CB 0.179 28.918 28.738 0.002 0.000 0.895 252 Q HN 0.352 nan 8.270 nan 0.000 0.440 253 E N -0.238 119.938 120.200 -0.040 0.000 2.265 253 E HA -0.177 4.173 4.350 0.001 0.000 0.196 253 E C 1.598 178.171 176.600 -0.045 0.000 0.996 253 E CA 0.527 56.906 56.400 -0.035 0.000 0.832 253 E CB -0.034 29.648 29.700 -0.029 0.000 0.756 253 E HN 0.153 nan 8.360 nan 0.000 0.491 254 L N 1.397 122.584 121.223 -0.060 0.000 2.068 254 L HA -0.174 4.166 4.340 0.001 0.000 0.204 254 L C 2.433 179.269 176.870 -0.058 0.000 1.076 254 L CA 1.809 56.612 54.840 -0.063 0.000 0.753 254 L CB -0.369 41.643 42.059 -0.079 0.000 0.910 254 L HN 0.072 nan 8.230 nan 0.000 0.439 255 Q N -0.925 118.839 119.800 -0.060 0.000 2.369 255 Q HA -0.227 4.113 4.340 0.001 0.000 0.206 255 Q C 1.987 177.963 176.000 -0.040 0.000 0.963 255 Q CA 1.314 57.087 55.803 -0.051 0.000 0.894 255 Q CB -0.519 28.188 28.738 -0.052 0.000 0.965 255 Q HN 0.467 nan 8.270 nan 0.000 0.475 256 K N 1.093 121.470 120.400 -0.038 0.000 2.283 256 K HA -0.020 4.300 4.320 0.001 0.000 0.202 256 K C 1.533 178.113 176.600 -0.033 0.000 1.048 256 K CA 0.533 56.802 56.287 -0.031 0.000 0.948 256 K CB 0.062 32.546 32.500 -0.026 0.000 0.742 256 K HN 0.331 nan 8.250 nan 0.000 0.458 257 L N 0.521 121.720 121.223 -0.040 0.000 2.599 257 L HA 0.043 4.383 4.340 0.001 0.000 0.230 257 L C 2.281 179.125 176.870 -0.043 0.000 1.141 257 L CA 0.028 54.842 54.840 -0.044 0.000 0.877 257 L CB -0.264 41.764 42.059 -0.050 0.000 1.009 257 L HN 0.163 nan 8.230 nan 0.000 0.447 258 R N 0.734 121.211 120.500 -0.039 0.000 2.117 258 R HA -0.184 4.156 4.340 0.001 0.000 0.243 258 R C 0.814 177.093 176.300 -0.035 0.000 1.143 258 R CA 1.811 57.889 56.100 -0.037 0.000 0.968 258 R CB 0.089 30.369 30.300 -0.033 0.000 0.863 258 R HN 0.418 nan 8.270 nan 0.000 0.444 259 D N -0.797 119.584 120.400 -0.032 0.000 2.398 259 D HA 0.130 4.770 4.640 0.001 0.000 0.210 259 D C -0.064 176.217 176.300 -0.030 0.000 1.094 259 D CA 0.120 54.102 54.000 -0.029 0.000 0.839 259 D CB 0.621 41.407 40.800 -0.023 0.000 0.963 259 D HN 0.210 nan 8.370 nan 0.000 0.506 260 A N 1.144 123.943 122.820 -0.036 0.000 2.386 260 A HA 0.147 4.467 4.320 0.001 0.000 0.248 260 A C 0.626 178.181 177.584 -0.049 0.000 1.082 260 A CA -0.155 51.858 52.037 -0.040 0.000 0.789 260 A CB 0.671 19.643 19.000 -0.046 0.000 1.025 260 A HN -0.043 nan 8.150 nan 0.000 0.490 261 E N 0.532 120.701 120.200 -0.052 0.000 2.392 261 E HA 0.232 4.583 4.350 0.001 0.000 0.259 261 E C -0.426 176.105 176.600 -0.115 0.000 1.108 261 E CA -0.030 56.331 56.400 -0.066 0.000 0.916 261 E CB 0.590 30.258 29.700 -0.053 0.000 0.989 261 E HN 0.495 nan 8.360 nan 0.000 0.432 262 S N 1.553 117.173 115.700 -0.133 0.000 3.489 262 S HA 0.240 4.711 4.470 0.001 0.000 0.227 262 S C -0.490 173.959 174.600 -0.252 0.000 1.360 262 S CA -0.508 57.591 58.200 -0.168 0.000 0.934 262 S CB -0.107 63.004 63.200 -0.149 0.000 1.410 262 S HN 0.194 nan 8.310 nan 0.000 0.483 263 V N 2.050 121.792 119.914 -0.287 0.000 2.735 263 V HA 0.545 4.666 4.120 0.001 0.000 0.310 263 V C 0.612 176.589 176.094 -0.194 0.000 1.061 263 V CA -1.161 60.908 62.300 -0.385 0.000 0.913 263 V CB 2.053 33.514 31.823 -0.604 0.000 1.005 263 V HN 0.693 nan 8.190 nan 0.000 0.428 264 T N 0.813 115.300 114.554 -0.112 0.000 2.868 264 T HA 0.475 4.825 4.350 0.001 0.000 0.292 264 T C 1.424 176.109 174.700 -0.026 0.000 1.028 264 T CA 0.170 62.253 62.100 -0.027 0.000 1.059 264 T CB 1.463 70.368 68.868 0.061 0.000 0.991 264 T HN 1.043 nan 8.240 nan 0.000 0.531 265 A N 1.663 124.476 122.820 -0.012 0.000 2.042 265 A HA -0.131 4.189 4.320 0.001 0.000 0.222 265 A C 1.631 179.221 177.584 0.009 0.000 1.167 265 A CA 1.806 53.839 52.037 -0.007 0.000 0.649 265 A CB -0.920 18.080 19.000 -0.001 0.000 0.809 265 A HN 0.981 nan 8.150 nan 0.000 0.457 266 D N -2.703 117.713 120.400 0.027 0.000 2.427 266 D HA 0.361 5.001 4.640 0.001 0.000 0.224 266 D C 0.954 177.296 176.300 0.069 0.000 1.157 266 D CA 0.428 54.453 54.000 0.042 0.000 0.828 266 D CB -0.689 40.136 40.800 0.042 0.000 0.974 266 D HN 0.754 nan 8.370 nan 0.000 0.498 267 G N 0.438 109.274 108.800 0.060 0.000 2.143 267 G HA2 -0.308 3.653 3.960 0.001 0.000 0.249 267 G HA3 -0.308 3.653 3.960 0.001 0.000 0.249 267 G C -0.104 174.913 174.900 0.195 0.000 0.981 267 G CA 0.117 45.279 45.100 0.103 0.000 0.665 267 G HN 0.705 nan 8.290 nan 0.000 0.528 268 H N 0.717 119.814 119.070 0.046 0.000 2.620 268 H HA 0.623 5.180 4.556 0.001 0.000 0.313 268 H C 0.295 175.645 175.328 0.037 0.000 1.075 268 H CA -0.353 55.750 56.048 0.092 0.000 1.397 268 H CB 0.362 30.163 29.762 0.065 0.000 1.446 268 H HN 0.396 nan 8.280 nan 0.000 0.493 269 H N 3.171 121.989 119.070 -0.420 0.000 2.473 269 H HA 0.466 5.022 4.556 0.001 0.000 0.327 269 H C -0.306 174.794 175.328 -0.380 0.000 1.105 269 H CA -0.173 55.687 56.048 -0.313 0.000 1.280 269 H CB 1.056 30.709 29.762 -0.183 0.000 1.450 269 H HN 0.513 nan 8.280 nan 0.000 0.492 270 V N -0.315 119.529 119.914 -0.116 0.000 3.159 270 V HA 0.566 4.686 4.120 0.001 0.000 0.308 270 V C -0.637 175.457 176.094 -0.001 0.000 1.190 270 V CA -1.107 61.188 62.300 -0.009 0.000 1.037 270 V CB 2.671 34.545 31.823 0.084 0.000 1.060 270 V HN 0.596 nan 8.190 nan 0.000 0.437 271 E N 2.109 122.347 120.200 0.064 0.000 2.179 271 E HA 0.592 4.942 4.350 0.001 0.000 0.275 271 E C -1.222 175.419 176.600 0.068 0.000 0.945 271 E CA -0.469 55.942 56.400 0.019 0.000 0.792 271 E CB 2.531 32.209 29.700 -0.036 0.000 1.125 271 E HN 0.701 nan 8.360 nan 0.000 0.397 272 L N 2.224 123.450 121.223 0.005 0.000 2.313 272 L HA 0.488 4.828 4.340 0.001 0.000 0.273 272 L C 0.187 177.070 176.870 0.021 0.000 1.028 272 L CA -0.682 54.169 54.840 0.019 0.000 0.871 272 L CB 1.125 43.151 42.059 -0.054 0.000 1.242 272 L HN 0.452 nan 8.230 nan 0.000 0.434 273 A N 2.609 125.463 122.820 0.056 0.000 2.242 273 A HA 0.921 5.241 4.320 0.001 0.000 0.304 273 A C -0.060 177.546 177.584 0.036 0.000 1.100 273 A CA -0.259 51.797 52.037 0.031 0.000 0.860 273 A CB 1.210 20.231 19.000 0.035 0.000 1.168 273 A HN 0.674 nan 8.150 nan 0.000 0.503 274 A N 0.384 123.213 122.820 0.015 0.000 2.330 274 A HA 0.680 5.001 4.320 0.001 0.000 0.329 274 A C -0.703 176.890 177.584 0.015 0.000 1.135 274 A CA -0.833 51.209 52.037 0.009 0.000 0.817 274 A CB 0.727 19.715 19.000 -0.021 0.000 1.269 274 A HN 0.719 nan 8.150 nan 0.000 0.469 275 N N 1.029 119.739 118.700 0.017 0.000 2.408 275 N HA 0.591 5.331 4.740 0.001 0.000 0.280 275 N C -0.646 174.859 175.510 -0.008 0.000 1.002 275 N CA -0.115 52.952 53.050 0.029 0.000 0.907 275 N CB 1.481 39.995 38.487 0.046 0.000 1.161 275 N HN 0.741 nan 8.380 nan 0.000 0.488 276 I N -2.962 117.592 120.570 -0.028 0.000 3.002 276 I HA 0.807 4.977 4.170 0.001 0.000 0.310 276 I C 0.579 176.676 176.117 -0.033 0.000 1.087 276 I CA -1.008 60.233 61.300 -0.099 0.000 1.017 276 I CB 2.366 40.214 38.000 -0.254 0.000 1.226 276 I HN 0.386 nan 8.210 nan 0.000 0.443 277 G N 0.719 109.465 108.800 -0.090 0.000 3.829 277 G HA2 0.431 4.391 3.960 0.001 0.000 0.279 277 G HA3 0.431 4.391 3.960 0.001 0.000 0.279 277 G C -0.055 174.604 174.900 -0.402 0.000 1.008 277 G CA 0.443 45.530 45.100 -0.021 0.000 0.840 277 G HN 0.865 nan 8.290 nan 0.000 0.474 278 T N -0.975 113.267 114.554 -0.519 0.000 3.033 278 T HA 0.369 4.719 4.350 0.001 0.000 0.362 278 T C -2.604 171.822 174.700 -0.457 0.000 1.723 278 T CA -0.378 61.238 62.100 -0.806 0.000 1.110 278 T CB 1.693 70.141 68.868 -0.699 0.000 1.515 278 T HN -0.166 nan 8.240 nan 0.000 0.484 279 P HA -0.005 nan 4.420 nan 0.000 0.223 279 P C 1.128 178.329 177.300 -0.165 0.000 1.144 279 P CA 0.741 63.726 63.100 -0.192 0.000 0.783 279 P CB 0.115 31.780 31.700 -0.058 0.000 0.771 280 N N -0.796 117.804 118.700 -0.166 0.000 2.512 280 N HA -0.085 4.655 4.740 0.001 0.000 0.183 280 N C 0.825 176.262 175.510 -0.122 0.000 1.073 280 N CA 0.914 53.892 53.050 -0.118 0.000 0.911 280 N CB -0.494 37.935 38.487 -0.097 0.000 0.964 280 N HN 0.186 nan 8.380 nan 0.000 0.447 281 D N 0.212 120.514 120.400 -0.162 0.000 2.349 281 D HA 0.080 4.721 4.640 0.001 0.000 0.215 281 D C 1.957 178.181 176.300 -0.126 0.000 1.016 281 D CA -0.075 53.841 54.000 -0.139 0.000 0.870 281 D CB 0.256 40.960 40.800 -0.160 0.000 0.917 281 D HN 0.232 nan 8.370 nan 0.000 0.524 282 L N 0.950 122.093 121.223 -0.133 0.000 2.012 282 L HA -0.161 4.180 4.340 0.001 0.000 0.210 282 L C -0.425 176.399 176.870 -0.078 0.000 1.073 282 L CA 1.570 56.344 54.840 -0.110 0.000 0.748 282 L CB -1.352 40.645 42.059 -0.104 0.000 0.891 282 L HN 0.041 nan 8.230 nan 0.000 0.431 283 P HA -0.163 nan 4.420 nan 0.000 0.216 283 P C 1.449 178.720 177.300 -0.048 0.000 1.150 283 P CA 1.761 64.831 63.100 -0.051 0.000 0.843 283 P CB -0.190 31.483 31.700 -0.045 0.000 0.787 284 G N -0.791 107.977 108.800 -0.053 0.000 2.443 284 G HA2 -0.170 3.791 3.960 0.001 0.000 0.219 284 G HA3 -0.170 3.791 3.960 0.001 0.000 0.219 284 G C 1.554 176.426 174.900 -0.047 0.000 1.131 284 G CA 0.355 45.428 45.100 -0.046 0.000 0.775 284 G HN 0.159 nan 8.290 nan 0.000 0.547 285 V N 1.506 121.386 119.914 -0.056 0.000 2.307 285 V HA -0.120 4.000 4.120 0.001 0.000 0.245 285 V C 2.736 178.803 176.094 -0.045 0.000 1.045 285 V CA 1.113 63.381 62.300 -0.053 0.000 1.024 285 V CB -0.260 31.523 31.823 -0.067 0.000 0.651 285 V HN 0.270 nan 8.190 nan 0.000 0.449 286 I N 1.018 121.562 120.570 -0.044 0.000 2.286 286 I HA -0.170 4.000 4.170 0.001 0.000 0.245 286 I C 2.539 178.636 176.117 -0.034 0.000 1.104 286 I CA 1.584 62.862 61.300 -0.037 0.000 1.397 286 I CB -1.375 36.604 38.000 -0.035 0.000 1.072 286 I HN 0.596 nan 8.210 nan 0.000 0.417 287 E N 0.346 120.525 120.200 -0.034 0.000 2.516 287 E HA -0.133 4.218 4.350 0.001 0.000 0.199 287 E C 0.996 177.576 176.600 -0.034 0.000 1.069 287 E CA 0.630 57.011 56.400 -0.032 0.000 0.876 287 E CB -0.246 29.436 29.700 -0.031 0.000 0.843 287 E HN 0.480 nan 8.360 nan 0.000 0.530 288 N N 0.200 118.879 118.700 -0.035 0.000 2.171 288 N HA 0.070 4.810 4.740 0.001 0.000 0.212 288 N C 0.638 176.126 175.510 -0.036 0.000 1.184 288 N CA 0.713 53.742 53.050 -0.036 0.000 0.888 288 N CB 1.513 39.980 38.487 -0.034 0.000 1.038 288 N HN 0.362 nan 8.380 nan 0.000 0.517 289 G N 1.372 110.151 108.800 -0.036 0.000 2.160 289 G HA2 -0.260 3.700 3.960 0.001 0.000 0.244 289 G HA3 -0.260 3.700 3.960 0.001 0.000 0.244 289 G C 0.302 175.180 174.900 -0.037 0.000 1.022 289 G CA 0.272 45.350 45.100 -0.036 0.000 0.741 289 G HN 0.533 nan 8.290 nan 0.000 0.508 290 A N -0.526 122.273 122.820 -0.035 0.000 2.520 290 A HA 0.547 4.868 4.320 0.001 0.000 0.235 290 A C 0.979 178.542 177.584 -0.035 0.000 1.065 290 A CA 0.979 52.997 52.037 -0.032 0.000 0.764 290 A CB 0.255 19.237 19.000 -0.030 0.000 1.002 290 A HN 0.556 nan 8.150 nan 0.000 0.502 291 E N 0.293 120.472 120.200 -0.035 0.000 2.465 291 E HA 0.390 4.740 4.350 0.001 0.000 0.195 291 E C 0.582 177.151 176.600 -0.051 0.000 1.028 291 E CA 0.496 56.870 56.400 -0.043 0.000 0.899 291 E CB 0.319 29.991 29.700 -0.047 0.000 1.032 291 E HN 1.015 nan 8.360 nan 0.000 0.468 292 G N 0.633 109.408 108.800 -0.042 0.000 2.356 292 G HA2 0.124 4.085 3.960 0.001 0.000 0.300 292 G HA3 0.124 4.085 3.960 0.001 0.000 0.300 292 G C -1.613 173.271 174.900 -0.027 0.000 1.331 292 G CA -1.093 43.981 45.100 -0.044 0.000 0.905 292 G HN 0.039 nan 8.290 nan 0.000 0.587 293 I N 1.634 122.194 120.570 -0.017 0.000 2.355 293 I HA 0.450 4.621 4.170 0.001 0.000 0.288 293 I C 1.388 177.530 176.117 0.043 0.000 0.999 293 I CA -0.208 61.095 61.300 0.004 0.000 1.163 293 I CB 1.854 39.848 38.000 -0.010 0.000 1.316 293 I HN 0.757 nan 8.210 nan 0.000 0.454 294 G N 7.126 115.966 108.800 0.065 0.000 2.777 294 G HA2 0.174 4.135 3.960 0.001 0.000 0.211 294 G HA3 0.174 4.135 3.960 0.001 0.000 0.211 294 G C 0.357 175.341 174.900 0.141 0.000 1.149 294 G CA 0.236 45.404 45.100 0.113 0.000 0.785 294 G HN 0.439 nan 8.290 nan 0.000 0.536 295 L N -0.083 121.217 121.223 0.129 0.000 2.661 295 L HA 0.383 4.724 4.340 0.001 0.000 0.263 295 L C -2.032 174.959 176.870 0.201 0.000 0.956 295 L CA -0.869 54.065 54.840 0.157 0.000 0.918 295 L CB 2.183 44.319 42.059 0.127 0.000 1.280 295 L HN 0.226 nan 8.230 nan 0.000 0.416 296 Y N 5.859 126.204 120.300 0.075 0.000 2.587 296 Y HA 0.436 4.986 4.550 0.001 0.000 0.328 296 Y C 0.082 176.065 175.900 0.138 0.000 0.980 296 Y CA -1.019 57.138 58.100 0.094 0.000 1.272 296 Y CB 0.719 39.234 38.460 0.091 0.000 1.094 296 Y HN 0.575 nan 8.280 nan 0.000 0.503 297 R N 2.561 123.331 120.500 0.451 0.000 2.401 297 R HA 0.053 4.394 4.340 0.001 0.000 0.299 297 R C 0.933 177.519 176.300 0.476 0.000 1.064 297 R CA 0.608 56.910 56.100 0.336 0.000 1.000 297 R CB 0.719 31.169 30.300 0.249 0.000 0.973 297 R HN 0.718 nan 8.270 nan 0.000 0.438 298 T N -1.604 113.149 114.554 0.331 0.000 3.134 298 T HA 0.095 4.446 4.350 0.001 0.000 0.260 298 T C 0.826 175.705 174.700 0.297 0.000 1.027 298 T CA -0.305 62.007 62.100 0.353 0.000 0.913 298 T CB 0.242 69.232 68.868 0.203 0.000 1.046 298 T HN 0.397 nan 8.240 nan 0.000 0.553 299 E N 1.818 122.200 120.200 0.305 0.000 2.110 299 E HA -0.017 4.333 4.350 0.001 0.000 0.193 299 E C 1.405 178.168 176.600 0.272 0.000 0.988 299 E CA 1.184 57.731 56.400 0.244 0.000 0.804 299 E CB -0.781 29.030 29.700 0.186 0.000 0.745 299 E HN 0.859 nan 8.360 nan 0.000 0.458 300 F N -0.457 119.613 119.950 0.199 0.000 2.236 300 F HA -0.166 4.362 4.527 0.001 0.000 0.302 300 F C 1.502 177.391 175.800 0.149 0.000 1.073 300 F CA 0.620 58.716 58.000 0.161 0.000 1.336 300 F CB -0.267 38.820 39.000 0.145 0.000 1.040 300 F HN -0.020 nan 8.300 nan 0.000 0.507 301 L N -0.683 120.065 121.223 -0.792 0.000 2.313 301 L HA -0.068 4.273 4.340 0.001 0.000 0.214 301 L C 1.614 178.264 176.870 -0.367 0.000 1.119 301 L CA 1.291 55.703 54.840 -0.714 0.000 0.809 301 L CB -1.525 40.082 42.059 -0.753 0.000 0.933 301 L HN 0.279 nan 8.230 nan 0.000 0.449 302 Y N -2.580 117.671 120.300 -0.083 0.000 2.558 302 Y HA 0.224 4.774 4.550 0.001 0.000 0.273 302 Y C 1.415 177.408 175.900 0.156 0.000 1.100 302 Y CA -0.423 57.733 58.100 0.094 0.000 1.276 302 Y CB -0.049 38.491 38.460 0.133 0.000 1.196 302 Y HN -0.077 nan 8.280 nan 0.000 0.527 303 M N -0.220 119.531 119.600 0.252 0.000 2.226 303 M HA 0.289 4.769 4.480 0.001 0.000 0.324 303 M C 1.188 177.578 176.300 0.150 0.000 1.112 303 M CA 0.751 56.158 55.300 0.179 0.000 1.176 303 M CB 0.177 32.868 32.600 0.152 0.000 1.430 303 M HN 0.479 nan 8.290 nan 0.000 0.462 304 G N 2.279 111.153 108.800 0.123 0.000 2.338 304 G HA2 -0.257 3.703 3.960 0.001 0.000 0.296 304 G HA3 -0.257 3.703 3.960 0.001 0.000 0.296 304 G C -0.225 174.739 174.900 0.107 0.000 1.040 304 G CA 0.684 45.846 45.100 0.103 0.000 1.004 304 G HN 0.899 nan 8.290 nan 0.000 0.509 305 R N -1.686 118.905 120.500 0.151 0.000 2.716 305 R HA 0.553 4.894 4.340 0.001 0.000 0.271 305 R C 0.017 176.455 176.300 0.230 0.000 1.028 305 R CA -0.359 55.827 56.100 0.143 0.000 0.883 305 R CB 0.430 30.781 30.300 0.085 0.000 1.250 305 R HN 0.087 nan 8.270 nan 0.000 0.465 306 D N -0.776 119.714 120.400 0.150 0.000 2.369 306 D HA 0.066 4.706 4.640 0.001 0.000 0.211 306 D C 0.058 176.442 176.300 0.140 0.000 1.077 306 D CA 0.452 54.566 54.000 0.190 0.000 0.842 306 D CB 0.645 41.504 40.800 0.099 0.000 0.947 306 D HN 0.642 nan 8.370 nan 0.000 0.509 307 Q N 0.789 120.525 119.800 -0.106 0.000 2.421 307 Q HA 0.646 4.986 4.340 0.001 0.000 0.280 307 Q C -0.150 175.313 176.000 -0.896 0.000 1.085 307 Q CA -1.059 54.499 55.803 -0.407 0.000 0.807 307 Q CB 1.550 30.160 28.738 -0.214 0.000 1.405 307 Q HN 0.400 nan 8.270 nan 0.000 0.419 308 M N 1.585 120.531 119.600 -1.091 0.000 2.240 308 M HA 0.626 5.106 4.480 0.001 0.000 0.333 308 M C -2.005 173.983 176.300 -0.521 0.000 1.110 308 M CA -1.429 53.316 55.300 -0.925 0.000 1.173 308 M CB 1.006 33.307 32.600 -0.498 0.000 1.458 308 M HN 0.442 nan 8.290 nan 0.000 0.458 309 P HA 0.120 nan 4.420 nan 0.000 0.276 309 P C -0.523 176.589 177.300 -0.313 0.000 1.230 309 P CA -0.131 62.701 63.100 -0.446 0.000 0.776 309 P CB 0.581 31.910 31.700 -0.620 0.000 0.888 310 T N -1.042 113.382 114.554 -0.216 0.000 2.813 310 T HA 0.044 4.394 4.350 0.001 0.000 0.297 310 T C 1.258 175.886 174.700 -0.120 0.000 1.036 310 T CA -0.415 61.601 62.100 -0.140 0.000 1.044 310 T CB 0.930 69.736 68.868 -0.103 0.000 0.993 310 T HN 0.549 nan 8.240 nan 0.000 0.535 311 E N 0.153 120.308 120.200 -0.075 0.000 2.058 311 E HA -0.251 4.099 4.350 0.001 0.000 0.194 311 E C 1.912 178.491 176.600 -0.036 0.000 0.997 311 E CA 1.499 57.869 56.400 -0.050 0.000 0.801 311 E CB -0.116 29.548 29.700 -0.060 0.000 0.746 311 E HN 0.800 nan 8.360 nan 0.000 0.450 312 E N 1.007 121.182 120.200 -0.041 0.000 2.077 312 E HA -0.220 4.130 4.350 0.001 0.000 0.193 312 E C 1.848 178.466 176.600 0.031 0.000 0.989 312 E CA 1.596 58.004 56.400 0.014 0.000 0.800 312 E CB -0.154 29.543 29.700 -0.006 0.000 0.746 312 E HN 0.359 nan 8.360 nan 0.000 0.452 313 E N -0.319 119.846 120.200 -0.059 0.000 2.110 313 E HA -0.230 4.120 4.350 0.001 0.000 0.193 313 E C 2.016 178.499 176.600 -0.196 0.000 0.988 313 E CA 1.110 57.446 56.400 -0.107 0.000 0.804 313 E CB 0.016 29.630 29.700 -0.144 0.000 0.745 313 E HN 0.408 nan 8.360 nan 0.000 0.458 314 Q N -0.435 119.205 119.800 -0.267 0.000 2.083 314 Q HA -0.142 4.198 4.340 0.001 0.000 0.198 314 Q C 2.049 177.632 176.000 -0.695 0.000 0.969 314 Q CA 1.209 56.664 55.803 -0.579 0.000 0.838 314 Q CB -0.263 28.209 28.738 -0.444 0.000 0.900 314 Q HN 0.291 nan 8.270 nan 0.000 0.436 315 F N 2.558 122.287 119.950 -0.368 0.000 2.063 315 F HA -0.283 4.245 4.527 0.001 0.000 0.298 315 F C 2.029 177.721 175.800 -0.181 0.000 1.109 315 F CA 1.677 59.569 58.000 -0.181 0.000 1.212 315 F CB -0.156 38.782 39.000 -0.102 0.000 0.973 315 F HN -0.018 nan 8.300 nan 0.000 0.480 316 E N 0.629 120.634 120.200 -0.324 0.000 2.097 316 E HA -0.250 4.101 4.350 0.001 0.000 0.196 316 E C 2.378 178.796 176.600 -0.302 0.000 1.000 316 E CA 1.482 57.660 56.400 -0.370 0.000 0.804 316 E CB -1.001 28.614 29.700 -0.142 0.000 0.740 316 E HN 0.541 nan 8.360 nan 0.000 0.454 317 A N -0.060 122.620 122.820 -0.234 0.000 2.014 317 A HA -0.095 4.225 4.320 0.001 0.000 0.218 317 A C 2.003 179.661 177.584 0.124 0.000 1.163 317 A CA 0.749 52.766 52.037 -0.034 0.000 0.652 317 A CB -0.611 18.445 19.000 0.094 0.000 0.808 317 A HN 0.304 nan 8.150 nan 0.000 0.449 318 Y N -0.329 119.985 120.300 0.023 0.000 2.206 318 Y HA -0.128 4.422 4.550 0.001 0.000 0.292 318 Y C 2.510 178.399 175.900 -0.019 0.000 1.123 318 Y CA 1.216 59.359 58.100 0.072 0.000 1.142 318 Y CB -0.076 38.385 38.460 0.002 0.000 1.006 318 Y HN 0.263 nan 8.280 nan 0.000 0.518 319 K N 1.129 121.443 120.400 -0.144 0.000 2.063 319 K HA -0.221 4.099 4.320 0.001 0.000 0.208 319 K C 2.260 178.721 176.600 -0.232 0.000 1.048 319 K CA 1.258 57.328 56.287 -0.362 0.000 0.928 319 K CB -0.330 31.544 32.500 -1.043 0.000 0.713 319 K HN 0.243 nan 8.250 nan 0.000 0.442 320 A N 0.723 123.427 122.820 -0.192 0.000 1.892 320 A HA -0.150 4.170 4.320 0.001 0.000 0.218 320 A C 2.267 179.827 177.584 -0.041 0.000 1.188 320 A CA 1.999 53.968 52.037 -0.115 0.000 0.631 320 A CB -0.762 18.190 19.000 -0.080 0.000 0.822 320 A HN 0.201 nan 8.150 nan 0.000 0.447 321 V N -0.083 119.848 119.914 0.028 0.000 2.379 321 V HA -0.169 3.951 4.120 0.001 0.000 0.245 321 V C 2.510 178.632 176.094 0.048 0.000 1.044 321 V CA 1.415 63.729 62.300 0.025 0.000 1.036 321 V CB -0.691 31.156 31.823 0.041 0.000 0.664 321 V HN 0.461 nan 8.190 nan 0.000 0.453 322 L N 0.148 121.429 121.223 0.097 0.000 1.989 322 L HA -0.198 4.142 4.340 0.001 0.000 0.211 322 L C 2.534 179.454 176.870 0.082 0.000 1.071 322 L CA 2.038 56.942 54.840 0.106 0.000 0.749 322 L CB -1.433 40.723 42.059 0.162 0.000 0.890 322 L HN 0.459 nan 8.230 nan 0.000 0.431 323 E N -0.649 119.592 120.200 0.068 0.000 2.077 323 E HA -0.178 4.172 4.350 0.001 0.000 0.193 323 E C 2.115 178.732 176.600 0.028 0.000 0.989 323 E CA 1.165 57.604 56.400 0.064 0.000 0.800 323 E CB -0.128 29.590 29.700 0.030 0.000 0.746 323 E HN 0.484 nan 8.360 nan 0.000 0.452 324 A N 0.684 123.505 122.820 0.002 0.000 2.121 324 A HA -0.105 4.215 4.320 0.001 0.000 0.218 324 A C 1.828 179.405 177.584 -0.011 0.000 1.154 324 A CA 0.932 52.962 52.037 -0.012 0.000 0.679 324 A CB -0.074 18.907 19.000 -0.031 0.000 0.795 324 A HN 0.119 nan 8.150 nan 0.000 0.458 325 M N -1.307 118.291 119.600 -0.002 0.000 2.431 325 M HA 0.140 4.621 4.480 0.001 0.000 0.237 325 M C -0.091 176.208 176.300 -0.003 0.000 1.130 325 M CA 0.161 55.456 55.300 -0.008 0.000 1.002 325 M CB -0.714 31.881 32.600 -0.008 0.000 1.524 325 M HN 0.187 nan 8.290 nan 0.000 0.482 326 K N 1.599 122.004 120.400 0.008 0.000 3.777 326 K HA -0.169 4.152 4.320 0.001 0.000 0.276 326 K C 0.984 177.586 176.600 0.004 0.000 0.877 326 K CA 0.860 57.153 56.287 0.010 0.000 0.724 326 K CB -2.314 30.187 32.500 0.001 0.000 1.589 326 K HN 0.739 nan 8.250 nan 0.000 0.444 327 G N -1.131 107.675 108.800 0.010 0.000 2.184 327 G HA2 -0.395 3.566 3.960 0.001 0.000 0.264 327 G HA3 -0.395 3.566 3.960 0.001 0.000 0.264 327 G C 0.160 175.048 174.900 -0.020 0.000 0.975 327 G CA 0.551 45.649 45.100 -0.002 0.000 0.642 327 G HN 0.353 nan 8.290 nan 0.000 0.536 328 K N 0.497 120.883 120.400 -0.023 0.000 2.202 328 K HA 0.497 4.817 4.320 0.001 0.000 0.264 328 K C 0.968 177.541 176.600 -0.045 0.000 1.010 328 K CA -0.757 55.504 56.287 -0.043 0.000 0.940 328 K CB 0.442 32.919 32.500 -0.039 0.000 0.983 328 K HN 0.322 nan 8.250 nan 0.000 0.475 329 R N 1.642 122.094 120.500 -0.080 0.000 2.522 329 R HA 0.113 4.453 4.340 0.001 0.000 0.284 329 R C -1.041 175.233 176.300 -0.043 0.000 1.032 329 R CA 0.085 56.132 56.100 -0.088 0.000 1.049 329 R CB 0.246 30.438 30.300 -0.180 0.000 0.956 329 R HN 0.251 nan 8.270 nan 0.000 0.422 330 V N 5.828 125.738 119.914 -0.007 0.000 2.409 330 V HA 0.193 4.313 4.120 0.001 0.000 0.290 330 V C -0.454 175.676 176.094 0.060 0.000 1.017 330 V CA -0.794 61.533 62.300 0.046 0.000 0.841 330 V CB 1.860 33.736 31.823 0.088 0.000 1.003 330 V HN 0.494 nan 8.190 nan 0.000 0.426 331 V N 6.108 126.070 119.914 0.081 0.000 2.320 331 V HA 0.314 4.435 4.120 0.001 0.000 0.265 331 V C 0.191 176.365 176.094 0.133 0.000 1.048 331 V CA -0.466 61.891 62.300 0.096 0.000 0.865 331 V CB 1.377 33.276 31.823 0.126 0.000 1.043 331 V HN 0.601 nan 8.190 nan 0.000 0.474 332 V N 5.808 125.757 119.914 0.058 0.000 2.498 332 V HA 0.381 4.501 4.120 0.001 0.000 0.279 332 V C 0.493 176.566 176.094 -0.036 0.000 1.048 332 V CA -0.511 61.767 62.300 -0.036 0.000 0.967 332 V CB 1.393 33.033 31.823 -0.305 0.000 0.988 332 V HN 0.841 nan 8.190 nan 0.000 0.473 333 R N 3.041 123.542 120.500 0.003 0.000 2.294 333 R HA 0.428 4.769 4.340 0.001 0.000 0.319 333 R C 0.410 176.721 176.300 0.019 0.000 0.984 333 R CA -0.390 55.725 56.100 0.025 0.000 0.861 333 R CB 1.153 31.498 30.300 0.075 0.000 1.104 333 R HN 0.941 nan 8.270 nan 0.000 0.451 334 T N 1.493 116.083 114.554 0.059 0.000 2.734 334 T HA 0.021 4.371 4.350 0.001 0.000 0.314 334 T C 0.561 175.304 174.700 0.073 0.000 1.057 334 T CA -0.829 61.361 62.100 0.150 0.000 1.047 334 T CB 0.410 69.532 68.868 0.424 0.000 0.991 334 T HN 0.430 nan 8.240 nan 0.000 0.540 335 L N 1.813 123.039 121.223 0.005 0.000 2.667 335 L HA 0.137 4.477 4.340 0.001 0.000 0.278 335 L C 0.176 176.965 176.870 -0.134 0.000 1.217 335 L CA 0.636 55.372 54.840 -0.173 0.000 0.935 335 L CB -0.567 41.211 42.059 -0.467 0.000 1.193 335 L HN 0.810 nan 8.230 nan 0.000 0.493 336 D N 6.507 126.854 120.400 -0.089 0.000 2.456 336 D HA 0.356 4.996 4.640 0.001 0.000 0.287 336 D C -0.907 175.352 176.300 -0.068 0.000 1.186 336 D CA -0.105 53.856 54.000 -0.065 0.000 0.916 336 D CB -0.050 40.740 40.800 -0.017 0.000 1.029 336 D HN 0.543 nan 8.370 nan 0.000 0.498 337 I N 0.817 121.325 120.570 -0.103 0.000 2.918 337 I HA 0.698 4.869 4.170 0.001 0.000 0.301 337 I C -0.372 175.700 176.117 -0.076 0.000 1.312 337 I CA -0.630 60.628 61.300 -0.069 0.000 1.007 337 I CB 2.208 40.166 38.000 -0.070 0.000 1.281 337 I HN 0.277 nan 8.210 nan 0.000 0.440 338 G N 2.070 110.862 108.800 -0.013 0.000 3.022 338 G HA2 0.442 4.403 3.960 0.001 0.000 0.284 338 G HA3 0.442 4.403 3.960 0.001 0.000 0.284 338 G C 0.545 175.467 174.900 0.036 0.000 1.375 338 G CA -0.083 45.021 45.100 0.007 0.000 0.902 338 G HN 0.815 nan 8.290 nan 0.000 0.538 339 G N 0.133 108.972 108.800 0.065 0.000 2.499 339 G HA2 -0.176 3.784 3.960 0.001 0.000 0.221 339 G HA3 -0.176 3.784 3.960 0.001 0.000 0.221 339 G C 1.177 176.100 174.900 0.039 0.000 1.109 339 G CA 1.622 46.755 45.100 0.054 0.000 0.749 339 G HN 0.725 nan 8.290 nan 0.000 0.568 340 D N -0.160 120.276 120.400 0.059 0.000 2.392 340 D HA -0.025 4.615 4.640 0.001 0.000 0.228 340 D C 0.490 176.816 176.300 0.044 0.000 1.003 340 D CA 0.579 54.606 54.000 0.045 0.000 0.917 340 D CB 0.130 40.974 40.800 0.074 0.000 0.890 340 D HN 0.059 nan 8.370 nan 0.000 0.532 341 K N 0.665 121.088 120.400 0.038 0.000 2.203 341 K HA 0.197 4.517 4.320 0.001 0.000 0.251 341 K C 0.782 177.383 176.600 0.001 0.000 0.944 341 K CA -0.772 55.531 56.287 0.027 0.000 0.829 341 K CB 2.348 34.867 32.500 0.032 0.000 1.125 341 K HN -0.227 nan 8.250 nan 0.000 0.430 342 E N 1.718 121.919 120.200 0.003 0.000 2.041 342 E HA -0.189 4.161 4.350 0.001 0.000 0.227 342 E C -0.260 176.304 176.600 -0.059 0.000 1.039 342 E CA 1.618 58.011 56.400 -0.012 0.000 0.904 342 E CB -0.325 29.380 29.700 0.008 0.000 0.808 342 E HN 0.523 nan 8.360 nan 0.000 0.510 343 L N -0.682 120.483 121.223 -0.098 0.000 3.790 343 L HA -0.223 4.118 4.340 0.001 0.000 0.602 343 L C -1.950 174.723 176.870 -0.328 0.000 1.172 343 L CA -0.254 54.413 54.840 -0.289 0.000 0.901 343 L CB -0.870 40.999 42.059 -0.316 0.000 1.342 343 L HN 0.335 nan 8.230 nan 0.000 0.820 344 P HA -0.193 nan 4.420 nan 0.000 0.215 344 P C 0.348 177.628 177.300 -0.032 0.000 1.157 344 P CA 1.547 64.617 63.100 -0.050 0.000 0.874 344 P CB 0.081 31.822 31.700 0.068 0.000 0.790 345 Y N -1.878 118.450 120.300 0.046 0.000 2.314 345 Y HA 0.462 5.012 4.550 0.000 0.000 0.334 345 Y C 0.248 176.184 175.900 0.059 0.000 1.266 345 Y CA -1.858 56.271 58.100 0.048 0.000 1.391 345 Y CB -0.417 38.072 38.460 0.048 0.000 1.306 345 Y HN -0.245 nan 8.280 nan 0.000 0.558 346 L N 0.995 122.280 121.223 0.103 0.000 0.616 346 L HA -0.189 4.151 4.340 0.001 0.000 0.357 346 L C -1.648 175.222 176.870 0.000 0.000 1.004 346 L CA 0.286 55.149 54.840 0.037 0.000 1.223 346 L CB -0.840 41.189 42.059 -0.051 0.000 0.132 346 L HN 0.927 nan 8.230 nan 0.000 0.117 347 D N 3.319 123.740 120.400 0.035 0.000 2.454 347 D HA 0.644 5.285 4.640 0.001 0.000 0.247 347 D C -0.695 175.628 176.300 0.037 0.000 1.129 347 D CA -0.192 53.821 54.000 0.022 0.000 0.877 347 D CB 0.715 41.526 40.800 0.020 0.000 1.082 347 D HN 0.385 nan 8.370 nan 0.000 0.537 348 L N 3.669 124.914 121.223 0.038 0.000 2.262 348 L HA 0.517 4.857 4.340 0.001 0.000 0.288 348 L C -1.734 175.152 176.870 0.027 0.000 1.035 348 L CA -1.742 53.139 54.840 0.070 0.000 0.820 348 L CB 0.529 42.651 42.059 0.105 0.000 1.204 348 L HN 0.119 nan 8.230 nan 0.000 0.424 349 P HA 0.082 nan 4.420 nan 0.000 0.271 349 P C 1.136 178.435 177.300 -0.002 0.000 1.233 349 P CA 0.127 63.217 63.100 -0.016 0.000 0.795 349 P CB 0.649 32.322 31.700 -0.045 0.000 0.936 350 E N 0.508 120.702 120.200 -0.010 0.000 2.049 350 E HA -0.228 4.122 4.350 0.001 0.000 0.198 350 E C 0.319 176.915 176.600 -0.007 0.000 1.007 350 E CA 1.786 58.180 56.400 -0.009 0.000 0.809 350 E CB -1.168 28.523 29.700 -0.015 0.000 0.749 350 E HN 0.732 nan 8.360 nan 0.000 0.450 351 E N -2.443 117.752 120.200 -0.009 0.000 7.490 351 E HA -0.176 4.174 4.350 0.001 0.000 0.427 351 E C 0.623 177.212 176.600 -0.018 0.000 0.456 351 E CA 0.576 56.973 56.400 -0.005 0.000 0.812 351 E CB -0.660 29.052 29.700 0.018 0.000 0.952 351 E HN 0.573 nan 8.360 nan 0.000 0.270 352 M N 2.386 121.975 119.600 -0.018 0.000 2.236 352 M HA -0.034 4.446 4.480 0.001 0.000 0.266 352 M C 0.261 176.538 176.300 -0.040 0.000 1.070 352 M CA 1.438 56.722 55.300 -0.027 0.000 1.137 352 M CB 0.359 32.948 32.600 -0.019 0.000 1.378 352 M HN 0.329 nan 8.290 nan 0.000 0.426 353 N N 0.592 119.279 118.700 -0.022 0.000 2.790 353 N HA 0.222 4.963 4.740 0.001 0.000 0.256 353 N C -2.271 173.246 175.510 0.012 0.000 1.409 353 N CA -0.955 52.081 53.050 -0.025 0.000 0.799 353 N CB 1.083 39.580 38.487 0.016 0.000 1.170 353 N HN 0.206 nan 8.380 nan 0.000 0.507 354 P HA -0.159 nan 4.420 nan 0.000 0.216 354 P C 1.261 178.717 177.300 0.260 0.000 1.150 354 P CA 1.119 64.261 63.100 0.070 0.000 0.843 354 P CB 0.042 31.750 31.700 0.013 0.000 0.787 355 F N -0.787 119.211 119.950 0.079 0.000 2.546 355 F HA -0.010 4.517 4.527 0.000 0.000 0.298 355 F C 1.815 177.740 175.800 0.208 0.000 1.120 355 F CA 0.125 58.212 58.000 0.145 0.000 1.456 355 F CB -0.127 38.948 39.000 0.125 0.000 1.088 355 F HN -0.168 nan 8.300 nan 0.000 0.572 356 L N -0.440 120.958 121.223 0.293 0.000 2.965 356 L HA 0.351 4.692 4.340 0.001 0.000 0.254 356 L C 0.829 177.755 176.870 0.094 0.000 1.220 356 L CA -0.288 54.644 54.840 0.153 0.000 1.023 356 L CB 0.085 42.211 42.059 0.113 0.000 1.355 356 L HN 0.022 nan 8.230 nan 0.000 0.545 357 G N -1.769 107.105 108.800 0.124 0.000 3.247 357 G HA2 0.129 4.090 3.960 0.001 0.000 0.199 357 G HA3 0.129 4.090 3.960 0.001 0.000 0.199 357 G C -1.499 173.487 174.900 0.144 0.000 1.172 357 G CA -0.461 44.709 45.100 0.116 0.000 0.844 357 G HN -0.112 nan 8.290 nan 0.000 0.619 358 Y N 2.885 123.189 120.300 0.008 0.000 2.733 358 Y HA 0.351 4.901 4.550 0.001 0.000 0.359 358 Y C 1.068 176.964 175.900 -0.007 0.000 1.242 358 Y CA 0.061 58.155 58.100 -0.009 0.000 1.715 358 Y CB -0.751 37.700 38.460 -0.014 0.000 1.365 358 Y HN 0.524 nan 8.280 nan 0.000 0.488 359 R N 3.351 123.751 120.500 -0.167 0.000 2.733 359 R HA 0.791 5.131 4.340 0.001 0.000 0.272 359 R C 0.115 176.285 176.300 -0.215 0.000 1.029 359 R CA -0.502 55.486 56.100 -0.185 0.000 0.888 359 R CB 0.303 30.587 30.300 -0.028 0.000 1.251 359 R HN 0.642 nan 8.270 nan 0.000 0.464 360 A N 0.709 123.410 122.820 -0.197 0.000 5.395 360 A HA -0.355 3.966 4.320 0.001 0.000 0.324 360 A C 1.198 178.617 177.584 -0.275 0.000 1.813 360 A CA 1.490 53.413 52.037 -0.190 0.000 0.714 360 A CB -1.807 17.130 19.000 -0.106 0.000 1.374 360 A HN 0.983 nan 8.150 nan 0.000 0.390 361 I N 0.991 121.424 120.570 -0.228 0.000 2.530 361 I HA -0.174 3.996 4.170 0.001 0.000 0.257 361 I C 2.440 178.361 176.117 -0.326 0.000 1.179 361 I CA 2.363 63.472 61.300 -0.318 0.000 1.440 361 I CB -0.429 37.458 38.000 -0.189 0.000 1.087 361 I HN 0.509 nan 8.210 nan 0.000 0.440 362 R N -0.741 119.604 120.500 -0.258 0.000 2.073 362 R HA -0.119 4.221 4.340 0.001 0.000 0.229 362 R C 2.109 178.193 176.300 -0.359 0.000 1.120 362 R CA 1.491 57.457 56.100 -0.223 0.000 0.967 362 R CB -0.596 29.619 30.300 -0.142 0.000 0.862 362 R HN 0.309 nan 8.270 nan 0.000 0.436 363 L N 0.483 121.366 121.223 -0.566 0.000 2.044 363 L HA -0.117 4.224 4.340 0.001 0.000 0.205 363 L C 1.944 178.568 176.870 -0.410 0.000 1.075 363 L CA 1.630 56.032 54.840 -0.729 0.000 0.747 363 L CB -0.522 41.121 42.059 -0.694 0.000 0.903 363 L HN 0.172 nan 8.230 nan 0.000 0.435 364 C N -0.428 118.591 119.300 -0.469 0.000 2.432 364 C HA -0.129 4.331 4.460 0.001 0.000 0.277 364 C C 2.759 177.505 174.990 -0.407 0.000 1.249 364 C CA 0.848 59.520 59.018 -0.577 0.000 1.725 364 C CB -1.173 25.785 27.740 -1.303 0.000 2.028 364 C HN 0.574 nan 8.230 nan 0.000 0.477 365 L N 0.576 121.577 121.223 -0.370 0.000 2.141 365 L HA -0.129 4.211 4.340 0.001 0.000 0.209 365 L C 2.119 178.961 176.870 -0.047 0.000 1.094 365 L CA 1.660 56.410 54.840 -0.150 0.000 0.763 365 L CB -0.565 41.409 42.059 -0.143 0.000 0.908 365 L HN 0.337 nan 8.230 nan 0.000 0.437 366 D N -0.648 119.723 120.400 -0.047 0.000 2.323 366 D HA -0.093 4.548 4.640 0.001 0.000 0.209 366 D C 0.748 177.089 176.300 0.068 0.000 0.973 366 D CA 0.706 54.738 54.000 0.052 0.000 0.874 366 D CB 0.389 41.301 40.800 0.186 0.000 0.930 366 D HN 0.220 nan 8.370 nan 0.000 0.521 367 Q N -0.047 119.772 119.800 0.033 0.000 3.230 367 Q HA 0.172 4.512 4.340 0.001 0.000 0.303 367 Q C -2.023 174.031 176.000 0.090 0.000 0.884 367 Q CA -1.385 54.458 55.803 0.067 0.000 0.859 367 Q CB 1.886 30.669 28.738 0.075 0.000 1.432 367 Q HN 0.177 nan 8.270 nan 0.000 0.403 368 P HA -0.256 nan 4.420 nan 0.000 0.222 368 P C 0.939 178.333 177.300 0.157 0.000 1.142 368 P CA 1.321 64.524 63.100 0.172 0.000 0.788 368 P CB 0.309 32.083 31.700 0.123 0.000 0.767 369 E N -0.084 120.189 120.200 0.121 0.000 2.338 369 E HA -0.140 4.210 4.350 0.001 0.000 0.197 369 E C 1.733 178.419 176.600 0.143 0.000 1.007 369 E CA 0.742 57.207 56.400 0.109 0.000 0.849 369 E CB -0.771 28.982 29.700 0.089 0.000 0.774 369 E HN 0.273 nan 8.360 nan 0.000 0.506 370 I N -0.541 120.139 120.570 0.184 0.000 3.854 370 I HA 0.072 4.243 4.170 0.001 0.000 0.312 370 I C 1.461 177.772 176.117 0.323 0.000 1.273 370 I CA -0.002 61.445 61.300 0.246 0.000 1.298 370 I CB 0.038 38.177 38.000 0.232 0.000 1.071 370 I HN -0.061 nan 8.210 nan 0.000 0.428 371 F N 1.268 121.265 119.950 0.079 0.000 2.262 371 F HA 0.143 4.671 4.527 0.000 0.000 0.292 371 F C 2.399 178.246 175.800 0.078 0.000 1.081 371 F CA 1.103 59.141 58.000 0.065 0.000 1.355 371 F CB -0.419 38.589 39.000 0.014 0.000 1.069 371 F HN -0.112 nan 8.300 nan 0.000 0.506 372 R N 0.306 120.872 120.500 0.110 0.000 2.091 372 R HA -0.155 4.185 4.340 0.001 0.000 0.238 372 R C -0.485 175.815 176.300 0.001 0.000 1.136 372 R CA 2.096 58.180 56.100 -0.028 0.000 0.959 372 R CB -1.897 28.407 30.300 0.006 0.000 0.856 372 R HN 0.263 nan 8.270 nan 0.000 0.437 373 P HA -0.199 nan 4.420 nan 0.000 0.216 373 P C 1.051 178.404 177.300 0.088 0.000 1.150 373 P CA 1.245 64.376 63.100 0.051 0.000 0.837 373 P CB 0.025 31.756 31.700 0.053 0.000 0.786 374 Q N -0.445 119.454 119.800 0.164 0.000 2.079 374 Q HA -0.119 4.222 4.340 0.001 0.000 0.200 374 Q C 1.985 178.058 176.000 0.121 0.000 0.974 374 Q CA 1.247 57.191 55.803 0.235 0.000 0.840 374 Q CB -0.567 28.383 28.738 0.352 0.000 0.898 374 Q HN 0.188 nan 8.270 nan 0.000 0.430 375 L N -0.079 121.114 121.223 -0.050 0.000 2.093 375 L HA -0.133 4.207 4.340 0.001 0.000 0.208 375 L C 2.625 179.466 176.870 -0.048 0.000 1.085 375 L CA 1.063 55.828 54.840 -0.124 0.000 0.755 375 L CB -0.339 41.523 42.059 -0.329 0.000 0.904 375 L HN 0.159 nan 8.230 nan 0.000 0.435 376 R N 0.145 120.620 120.500 -0.042 0.000 2.073 376 R HA -0.117 4.223 4.340 0.001 0.000 0.234 376 R C 2.481 178.771 176.300 -0.017 0.000 1.134 376 R CA 1.344 57.412 56.100 -0.053 0.000 0.952 376 R CB -0.553 29.700 30.300 -0.079 0.000 0.850 376 R HN 0.338 nan 8.270 nan 0.000 0.433 377 A N 1.369 124.232 122.820 0.073 0.000 1.902 377 A HA -0.129 4.191 4.320 0.001 0.000 0.217 377 A C 2.210 180.011 177.584 0.362 0.000 1.181 377 A CA 1.144 53.312 52.037 0.218 0.000 0.623 377 A CB -0.553 18.609 19.000 0.270 0.000 0.818 377 A HN 0.169 nan 8.150 nan 0.000 0.443 378 L N -1.081 120.299 121.223 0.262 0.000 2.017 378 L HA -0.183 4.158 4.340 0.001 0.000 0.208 378 L C 2.483 179.429 176.870 0.126 0.000 1.073 378 L CA 0.797 55.713 54.840 0.127 0.000 0.745 378 L CB -0.513 41.504 42.059 -0.070 0.000 0.894 378 L HN 0.288 nan 8.230 nan 0.000 0.432 379 L N -0.257 121.011 121.223 0.075 0.000 2.042 379 L HA -0.216 4.125 4.340 0.001 0.000 0.210 379 L C 2.717 179.646 176.870 0.098 0.000 1.076 379 L CA 1.710 56.584 54.840 0.056 0.000 0.749 379 L CB -0.985 41.079 42.059 0.008 0.000 0.893 379 L HN 0.188 nan 8.230 nan 0.000 0.432 380 R N -1.278 119.287 120.500 0.108 0.000 2.092 380 R HA -0.032 4.309 4.340 0.001 0.000 0.231 380 R C 2.024 178.633 176.300 0.515 0.000 1.119 380 R CA 1.156 57.342 56.100 0.143 0.000 0.970 380 R CB -0.256 29.942 30.300 -0.170 0.000 0.864 380 R HN 0.359 nan 8.270 nan 0.000 0.440 381 A N 0.840 124.012 122.820 0.586 0.000 2.119 381 A HA -0.091 4.229 4.320 0.001 0.000 0.216 381 A C 2.071 179.930 177.584 0.459 0.000 1.152 381 A CA 1.226 53.627 52.037 0.608 0.000 0.708 381 A CB -0.270 18.960 19.000 0.384 0.000 0.805 381 A HN 0.404 nan 8.150 nan 0.000 0.460 382 S N 0.505 116.366 115.700 0.269 0.000 2.440 382 S HA -0.166 4.304 4.470 0.001 0.000 0.238 382 S C 1.647 176.301 174.600 0.091 0.000 1.010 382 S CA 1.466 59.758 58.200 0.152 0.000 0.972 382 S CB -1.322 61.934 63.200 0.092 0.000 0.774 382 S HN 1.114 nan 8.310 nan 0.000 0.501 383 V N -2.498 117.427 119.914 0.017 0.000 3.380 383 V HA 0.292 4.412 4.120 0.001 0.000 0.268 383 V C 1.383 177.261 176.094 -0.361 0.000 1.168 383 V CA 0.639 62.811 62.300 -0.214 0.000 1.156 383 V CB -1.448 30.156 31.823 -0.366 0.000 0.785 383 V HN 0.424 nan 8.190 nan 0.000 0.487 384 F N 1.621 121.617 119.950 0.077 0.000 2.693 384 F HA 0.737 5.264 4.527 0.001 0.000 0.303 384 F C 1.319 177.140 175.800 0.034 0.000 1.097 384 F CA 0.472 58.503 58.000 0.052 0.000 1.330 384 F CB 0.524 39.547 39.000 0.038 0.000 1.067 384 F HN 0.466 nan 8.300 nan 0.000 0.565 385 G N -0.044 108.845 108.800 0.147 0.000 2.341 385 G HA2 0.215 4.175 3.960 0.001 0.000 0.299 385 G HA3 0.215 4.175 3.960 0.001 0.000 0.299 385 G C -1.584 173.351 174.900 0.059 0.000 1.274 385 G CA -1.043 44.115 45.100 0.097 0.000 0.853 385 G HN -0.130 nan 8.290 nan 0.000 0.493 386 K N 0.636 121.058 120.400 0.037 0.000 2.231 386 K HA 0.514 4.835 4.320 0.001 0.000 0.255 386 K C -0.730 175.882 176.600 0.020 0.000 1.108 386 K CA -0.513 55.783 56.287 0.015 0.000 0.997 386 K CB 0.316 32.806 32.500 -0.016 0.000 1.549 386 K HN 0.377 nan 8.250 nan 0.000 0.419 387 L N 3.585 124.830 121.223 0.037 0.000 2.312 387 L HA 0.362 4.702 4.340 0.001 0.000 0.281 387 L C -1.080 175.807 176.870 0.029 0.000 1.070 387 L CA 0.159 55.022 54.840 0.038 0.000 0.805 387 L CB 1.148 43.239 42.059 0.052 0.000 1.174 387 L HN 0.552 nan 8.230 nan 0.000 0.434 388 N N 5.233 123.946 118.700 0.022 0.000 2.258 388 N HA 0.543 5.283 4.740 0.001 0.000 0.299 388 N C -1.398 174.163 175.510 0.085 0.000 1.047 388 N CA -0.663 52.416 53.050 0.048 0.000 0.814 388 N CB 1.975 40.387 38.487 -0.124 0.000 1.413 388 N HN 0.470 nan 8.380 nan 0.000 0.478 389 I N 3.072 123.709 120.570 0.110 0.000 2.378 389 I HA 0.397 4.567 4.170 0.001 0.000 0.291 389 I C -0.237 175.790 176.117 -0.150 0.000 0.992 389 I CA -0.653 60.606 61.300 -0.068 0.000 1.154 389 I CB 1.384 39.268 38.000 -0.194 0.000 1.315 389 I HN 0.416 nan 8.210 nan 0.000 0.448 390 M N 4.909 124.390 119.600 -0.198 0.000 2.464 390 M HA 0.615 5.095 4.480 0.001 0.000 0.308 390 M C -1.854 174.237 176.300 -0.349 0.000 1.127 390 M CA -0.431 54.693 55.300 -0.294 0.000 0.913 390 M CB 2.122 34.722 32.600 0.000 0.000 1.689 390 M HN 0.213 nan 8.290 nan 0.000 0.445 391 F N 2.748 122.746 119.950 0.080 0.000 2.404 391 F HA 0.692 5.220 4.527 0.001 0.000 0.339 391 F C -2.125 173.690 175.800 0.025 0.000 1.105 391 F CA -1.632 56.415 58.000 0.078 0.000 1.087 391 F CB 1.315 40.389 39.000 0.124 0.000 1.143 391 F HN 0.409 nan 8.300 nan 0.000 0.491 392 P HA 0.192 nan 4.420 nan 0.000 0.287 392 P C -0.144 177.180 177.300 0.039 0.000 1.279 392 P CA -0.427 62.718 63.100 0.074 0.000 0.867 392 P CB 1.844 33.569 31.700 0.041 0.000 1.127 393 M N -1.720 117.888 119.600 0.013 0.000 2.653 393 M HA -0.129 4.351 4.480 0.001 0.000 0.203 393 M C -0.677 175.609 176.300 -0.024 0.000 0.502 393 M CA 0.532 55.824 55.300 -0.015 0.000 0.601 393 M CB -2.577 30.005 32.600 -0.030 0.000 2.228 393 M HN 0.104 nan 8.290 nan 0.000 0.711 394 V N 0.225 120.138 119.914 -0.002 0.000 2.530 394 V HA 0.445 4.566 4.120 0.001 0.000 0.282 394 V C 1.237 177.319 176.094 -0.020 0.000 1.048 394 V CA 0.846 63.163 62.300 0.029 0.000 0.997 394 V CB 1.514 33.402 31.823 0.108 0.000 0.987 394 V HN 0.557 nan 8.190 nan 0.000 0.477 395 A N 3.870 126.709 122.820 0.031 0.000 2.226 395 A HA 0.391 4.711 4.320 0.001 0.000 0.207 395 A C 0.894 178.573 177.584 0.159 0.000 1.293 395 A CA 0.234 52.283 52.037 0.020 0.000 0.968 395 A CB 0.514 19.496 19.000 -0.030 0.000 1.044 395 A HN 0.668 nan 8.150 nan 0.000 0.493 396 T N -0.667 114.021 114.554 0.224 0.000 2.907 396 T HA 0.380 4.731 4.350 0.001 0.000 0.292 396 T C 0.800 175.659 174.700 0.265 0.000 1.043 396 T CA -0.337 61.901 62.100 0.230 0.000 1.003 396 T CB 1.707 70.629 68.868 0.089 0.000 1.084 396 T HN 0.106 nan 8.240 nan 0.000 0.483 397 I N 1.865 122.416 120.570 -0.032 0.000 2.394 397 I HA -0.067 4.103 4.170 0.001 0.000 0.251 397 I C 2.292 178.407 176.117 -0.003 0.000 1.136 397 I CA 1.652 62.793 61.300 -0.265 0.000 1.425 397 I CB -0.120 37.593 38.000 -0.477 0.000 1.079 397 I HN 0.585 nan 8.210 nan 0.000 0.425 398 Q N 0.721 120.523 119.800 0.004 0.000 2.224 398 Q HA -0.183 4.157 4.340 0.001 0.000 0.203 398 Q C 2.003 178.018 176.000 0.026 0.000 0.970 398 Q CA 1.648 57.456 55.803 0.009 0.000 0.865 398 Q CB -0.158 28.577 28.738 -0.006 0.000 0.922 398 Q HN 0.609 nan 8.270 nan 0.000 0.445 399 E N -1.177 119.061 120.200 0.064 0.000 2.106 399 E HA -0.135 4.215 4.350 0.001 0.000 0.192 399 E C 1.437 178.052 176.600 0.025 0.000 0.984 399 E CA 0.888 57.307 56.400 0.031 0.000 0.806 399 E CB -0.176 29.554 29.700 0.050 0.000 0.750 399 E HN 0.398 nan 8.360 nan 0.000 0.458 400 F N 1.746 121.705 119.950 0.016 0.000 2.146 400 F HA -0.104 4.423 4.527 0.000 0.000 0.298 400 F C 2.091 177.869 175.800 -0.038 0.000 1.096 400 F CA 1.380 59.393 58.000 0.021 0.000 1.275 400 F CB 0.077 39.183 39.000 0.176 0.000 1.008 400 F HN -0.207 nan 8.300 nan 0.000 0.480 401 R N 0.201 120.690 120.500 -0.019 0.000 2.096 401 R HA -0.155 4.186 4.340 0.001 0.000 0.235 401 R C 1.805 177.999 176.300 -0.177 0.000 1.127 401 R CA 1.620 57.654 56.100 -0.111 0.000 0.968 401 R CB -0.591 29.706 30.300 -0.005 0.000 0.861 401 R HN 0.306 nan 8.270 nan 0.000 0.440 402 D N 0.478 120.793 120.400 -0.142 0.000 2.144 402 D HA -0.079 4.561 4.640 0.001 0.000 0.200 402 D C 1.810 177.998 176.300 -0.186 0.000 0.978 402 D CA 1.379 55.303 54.000 -0.126 0.000 0.833 402 D CB -0.205 40.544 40.800 -0.084 0.000 0.961 402 D HN 0.232 nan 8.370 nan 0.000 0.470 403 A N 1.043 123.666 122.820 -0.329 0.000 1.873 403 A HA -0.195 4.126 4.320 0.001 0.000 0.215 403 A C 2.093 179.424 177.584 -0.420 0.000 1.186 403 A CA 1.758 53.512 52.037 -0.471 0.000 0.616 403 A CB -0.469 17.818 19.000 -1.188 0.000 0.823 403 A HN 0.170 nan 8.150 nan 0.000 0.442 404 K N -0.239 119.863 120.400 -0.497 0.000 2.057 404 K HA -0.093 4.228 4.320 0.001 0.000 0.207 404 K C 2.111 178.606 176.600 -0.175 0.000 1.049 404 K CA 1.298 57.391 56.287 -0.324 0.000 0.931 404 K CB -0.351 31.856 32.500 -0.489 0.000 0.714 404 K HN 0.345 nan 8.250 nan 0.000 0.440 405 A N 1.127 123.850 122.820 -0.163 0.000 1.933 405 A HA -0.153 4.168 4.320 0.001 0.000 0.218 405 A C 2.015 179.549 177.584 -0.083 0.000 1.175 405 A CA 1.335 53.315 52.037 -0.096 0.000 0.628 405 A CB -0.571 18.382 19.000 -0.078 0.000 0.814 405 A HN 0.393 nan 8.150 nan 0.000 0.444 406 L N -0.986 120.177 121.223 -0.099 0.000 2.141 406 L HA -0.012 4.328 4.340 0.001 0.000 0.209 406 L C 2.161 178.956 176.870 -0.126 0.000 1.094 406 L CA 1.627 56.410 54.840 -0.095 0.000 0.763 406 L CB -0.581 41.432 42.059 -0.076 0.000 0.908 406 L HN 0.379 nan 8.230 nan 0.000 0.437 407 L N -0.829 120.320 121.223 -0.125 0.000 2.056 407 L HA -0.105 4.235 4.340 0.001 0.000 0.207 407 L C 2.367 179.203 176.870 -0.056 0.000 1.078 407 L CA 1.497 56.282 54.840 -0.091 0.000 0.749 407 L CB -0.525 41.528 42.059 -0.010 0.000 0.901 407 L HN 0.214 nan 8.230 nan 0.000 0.433 408 E N -0.265 119.907 120.200 -0.047 0.000 2.150 408 E HA -0.261 4.089 4.350 0.001 0.000 0.193 408 E C 1.978 178.562 176.600 -0.027 0.000 0.985 408 E CA 1.173 57.556 56.400 -0.028 0.000 0.814 408 E CB -0.123 29.561 29.700 -0.026 0.000 0.752 408 E HN 0.677 nan 8.360 nan 0.000 0.466 409 E N 0.849 121.027 120.200 -0.037 0.000 2.077 409 E HA -0.178 4.172 4.350 0.001 0.000 0.193 409 E C 1.555 178.140 176.600 -0.025 0.000 0.989 409 E CA 0.927 57.310 56.400 -0.029 0.000 0.800 409 E CB 0.217 29.898 29.700 -0.033 0.000 0.746 409 E HN 0.038 nan 8.360 nan 0.000 0.452 410 E N 0.329 120.505 120.200 -0.040 0.000 2.358 410 E HA -0.111 4.239 4.350 0.001 0.000 0.195 410 E C 1.931 178.519 176.600 -0.019 0.000 1.010 410 E CA 0.250 56.629 56.400 -0.035 0.000 0.856 410 E CB -0.085 29.577 29.700 -0.064 0.000 0.795 410 E HN 0.265 nan 8.360 nan 0.000 0.504 411 R N 0.762 121.253 120.500 -0.016 0.000 2.062 411 R HA -0.067 4.274 4.340 0.001 0.000 0.231 411 R C 2.178 178.485 176.300 0.012 0.000 1.136 411 R CA 1.345 57.446 56.100 0.000 0.000 0.948 411 R CB -0.122 30.179 30.300 0.001 0.000 0.845 411 R HN 0.103 nan 8.270 nan 0.000 0.430 412 A N 1.328 124.152 122.820 0.007 0.000 1.933 412 A HA -0.187 4.133 4.320 0.001 0.000 0.218 412 A C 1.784 179.380 177.584 0.019 0.000 1.175 412 A CA 1.659 53.703 52.037 0.011 0.000 0.628 412 A CB -0.597 18.405 19.000 0.004 0.000 0.814 412 A HN 0.400 nan 8.150 nan 0.000 0.444 413 N N 0.271 118.981 118.700 0.017 0.000 2.084 413 N HA -0.104 4.636 4.740 0.001 0.000 0.190 413 N C 1.638 177.185 175.510 0.062 0.000 1.030 413 N CA 1.454 54.521 53.050 0.029 0.000 0.849 413 N CB -0.561 37.937 38.487 0.018 0.000 1.012 413 N HN 0.510 nan 8.380 nan 0.000 0.423 414 L N 0.942 122.208 121.223 0.072 0.000 2.083 414 L HA -0.142 4.198 4.340 0.001 0.000 0.209 414 L C 2.100 179.067 176.870 0.162 0.000 1.083 414 L CA 1.199 56.132 54.840 0.156 0.000 0.752 414 L CB -0.254 41.852 42.059 0.079 0.000 0.899 414 L HN 0.170 nan 8.230 nan 0.000 0.433 415 K N 0.075 120.526 120.400 0.084 0.000 2.103 415 K HA -0.096 4.225 4.320 0.001 0.000 0.204 415 K C 1.522 178.139 176.600 0.028 0.000 1.052 415 K CA 1.311 57.631 56.287 0.055 0.000 0.945 415 K CB -0.214 32.307 32.500 0.034 0.000 0.722 415 K HN 0.429 nan 8.250 nan 0.000 0.443 416 N N 0.865 119.581 118.700 0.026 0.000 2.521 416 N HA -0.077 4.663 4.740 0.001 0.000 0.188 416 N C 0.430 175.937 175.510 -0.005 0.000 1.146 416 N CA 0.323 53.378 53.050 0.008 0.000 0.893 416 N CB 0.253 38.746 38.487 0.009 0.000 0.975 416 N HN 0.271 nan 8.380 nan 0.000 0.451 417 E N -0.793 119.407 120.200 0.000 0.000 2.562 417 E HA 0.164 4.515 4.350 0.001 0.000 0.214 417 E C 0.925 177.404 176.600 -0.202 0.000 0.979 417 E CA -0.087 56.278 56.400 -0.059 0.000 1.002 417 E CB 0.991 30.707 29.700 0.027 0.000 1.048 417 E HN 0.303 nan 8.360 nan 0.000 0.488 418 G N 0.956 109.677 108.800 -0.131 0.000 2.175 418 G HA2 -0.299 3.662 3.960 0.001 0.000 0.244 418 G HA3 -0.299 3.662 3.960 0.001 0.000 0.244 418 G C -0.103 174.705 174.900 -0.154 0.000 0.982 418 G CA -0.223 44.776 45.100 -0.168 0.000 0.641 418 G HN 0.276 nan 8.290 nan 0.000 0.527 419 Y N 1.083 121.368 120.300 -0.024 0.000 2.336 419 Y HA 0.492 5.043 4.550 0.001 0.000 0.331 419 Y C 1.001 176.891 175.900 -0.016 0.000 1.211 419 Y CA -0.044 58.041 58.100 -0.025 0.000 1.346 419 Y CB 0.711 39.148 38.460 -0.038 0.000 1.271 419 Y HN 0.217 nan 8.280 nan 0.000 0.538 420 E N 1.684 121.987 120.200 0.172 0.000 2.266 420 E HA 0.523 4.873 4.350 0.001 0.000 0.277 420 E C -1.675 174.964 176.600 0.066 0.000 1.018 420 E CA -0.541 55.904 56.400 0.075 0.000 0.840 420 E CB 1.075 30.787 29.700 0.021 0.000 1.082 420 E HN 0.406 nan 8.360 nan 0.000 0.395 421 V N 2.989 122.928 119.914 0.041 0.000 2.569 421 V HA 0.391 4.512 4.120 0.001 0.000 0.301 421 V C -0.135 175.971 176.094 0.020 0.000 1.044 421 V CA -0.999 61.323 62.300 0.036 0.000 0.874 421 V CB 1.422 33.269 31.823 0.040 0.000 1.002 421 V HN 0.891 nan 8.190 nan 0.000 0.424 422 A N 2.753 125.583 122.820 0.017 0.000 2.540 422 A HA 0.267 4.588 4.320 0.001 0.000 0.239 422 A C 0.952 178.549 177.584 0.022 0.000 1.061 422 A CA 0.508 52.552 52.037 0.012 0.000 0.758 422 A CB 0.015 19.025 19.000 0.017 0.000 0.991 422 A HN 1.052 nan 8.150 nan 0.000 0.502 423 D N 0.832 121.244 120.400 0.019 0.000 2.333 423 D HA -0.040 4.601 4.640 0.001 0.000 0.208 423 D C 0.222 176.543 176.300 0.034 0.000 0.984 423 D CA 0.805 54.820 54.000 0.025 0.000 0.873 423 D CB 0.076 40.888 40.800 0.020 0.000 0.935 423 D HN 0.561 nan 8.370 nan 0.000 0.521 424 D N 1.254 121.674 120.400 0.035 0.000 3.179 424 D HA 0.073 4.714 4.640 0.001 0.000 0.267 424 D C -0.215 176.120 176.300 0.059 0.000 1.348 424 D CA -0.607 53.420 54.000 0.046 0.000 0.897 424 D CB -0.624 40.199 40.800 0.038 0.000 1.062 424 D HN 0.245 nan 8.370 nan 0.000 0.494 425 I N 0.872 121.481 120.570 0.065 0.000 2.322 425 I HA 0.084 4.254 4.170 0.001 0.000 0.292 425 I C 0.712 176.899 176.117 0.118 0.000 1.060 425 I CA -0.485 60.861 61.300 0.077 0.000 1.309 425 I CB 0.675 38.712 38.000 0.062 0.000 1.415 425 I HN -0.108 nan 8.210 nan 0.000 0.492 426 E N 7.005 127.298 120.200 0.154 0.000 2.344 426 E HA 0.306 4.657 4.350 0.001 0.000 0.270 426 E C -0.872 175.951 176.600 0.373 0.000 1.021 426 E CA -0.201 56.357 56.400 0.263 0.000 0.887 426 E CB 1.009 30.886 29.700 0.294 0.000 0.997 426 E HN 0.460 nan 8.360 nan 0.000 0.429 427 L N 2.537 123.952 121.223 0.320 0.000 2.313 427 L HA 0.624 4.965 4.340 0.001 0.000 0.283 427 L C 0.466 177.288 176.870 -0.081 0.000 1.013 427 L CA -0.635 54.333 54.840 0.212 0.000 0.816 427 L CB 1.639 43.858 42.059 0.267 0.000 1.236 427 L HN 0.594 nan 8.230 nan 0.000 0.419 428 G N 2.853 111.298 108.800 -0.592 0.000 2.949 428 G HA2 0.816 4.776 3.960 0.001 0.000 0.285 428 G HA3 0.816 4.776 3.960 0.001 0.000 0.285 428 G C -1.229 173.322 174.900 -0.582 0.000 1.395 428 G CA -0.643 43.684 45.100 -1.288 0.000 0.901 428 G HN 0.607 nan 8.290 nan 0.000 0.519 429 I N -2.933 117.328 120.570 -0.515 0.000 2.785 429 I HA 0.724 4.894 4.170 0.001 0.000 0.302 429 I C -0.495 175.537 176.117 -0.142 0.000 1.069 429 I CA -1.331 59.878 61.300 -0.151 0.000 1.045 429 I CB 2.575 40.516 38.000 -0.099 0.000 1.236 429 I HN 0.487 nan 8.210 nan 0.000 0.429 430 M N 5.027 124.597 119.600 -0.051 0.000 2.069 430 M HA 0.392 4.872 4.480 0.001 0.000 0.349 430 M C -1.158 175.102 176.300 -0.067 0.000 1.194 430 M CA -0.698 54.583 55.300 -0.032 0.000 1.081 430 M CB 0.987 33.593 32.600 0.009 0.000 1.500 430 M HN 0.569 nan 8.290 nan 0.000 0.438 431 V N 6.819 126.669 119.914 -0.107 0.000 2.409 431 V HA -0.015 4.106 4.120 0.001 0.000 0.270 431 V C 0.763 176.787 176.094 -0.117 0.000 1.019 431 V CA 0.934 63.125 62.300 -0.182 0.000 1.066 431 V CB -0.456 31.194 31.823 -0.288 0.000 1.021 431 V HN 1.007 nan 8.190 nan 0.000 0.476 432 E N 4.244 124.397 120.200 -0.079 0.000 2.617 432 E HA 0.247 4.597 4.350 0.001 0.000 0.208 432 E C 0.206 176.866 176.600 0.101 0.000 0.888 432 E CA -0.403 56.009 56.400 0.019 0.000 1.485 432 E CB 0.471 30.211 29.700 0.067 0.000 1.482 432 E HN 0.553 nan 8.360 nan 0.000 0.813 433 I N 3.375 123.925 120.570 -0.034 0.000 2.325 433 I HA 0.180 4.350 4.170 0.001 0.000 0.291 433 I C -1.823 174.226 176.117 -0.114 0.000 1.019 433 I CA -2.392 58.834 61.300 -0.123 0.000 1.302 433 I CB 1.333 39.212 38.000 -0.201 0.000 1.401 433 I HN -0.171 nan 8.210 nan 0.000 0.485 434 P HA -0.262 nan 4.420 nan 0.000 0.218 434 P C 1.672 178.920 177.300 -0.087 0.000 1.154 434 P CA 1.584 64.638 63.100 -0.076 0.000 0.872 434 P CB 0.114 31.787 31.700 -0.045 0.000 0.790 435 S N -2.463 113.190 115.700 -0.077 0.000 2.419 435 S HA -0.190 4.280 4.470 0.001 0.000 0.235 435 S C 2.051 176.633 174.600 -0.030 0.000 1.019 435 S CA 2.000 60.178 58.200 -0.037 0.000 0.982 435 S CB -1.843 61.347 63.200 -0.016 0.000 0.789 435 S HN 0.112 nan 8.310 nan 0.000 0.490 436 T N 1.429 115.904 114.554 -0.131 0.000 2.857 436 T HA 0.208 4.558 4.350 0.001 0.000 0.266 436 T C 1.954 176.478 174.700 -0.294 0.000 1.048 436 T CA 1.218 63.133 62.100 -0.309 0.000 1.139 436 T CB -0.640 67.951 68.868 -0.462 0.000 0.874 436 T HN 0.641 nan 8.240 nan 0.000 0.455 437 A N 0.673 123.352 122.820 -0.234 0.000 1.970 437 A HA 0.402 4.722 4.320 0.001 0.000 0.216 437 A C 2.550 180.050 177.584 -0.140 0.000 1.170 437 A CA 1.454 53.349 52.037 -0.237 0.000 0.645 437 A CB -0.851 18.028 19.000 -0.203 0.000 0.816 437 A HN 0.507 nan 8.150 nan 0.000 0.447 438 A N -0.458 122.314 122.820 -0.081 0.000 1.972 438 A HA 0.074 4.394 4.320 0.001 0.000 0.219 438 A C 1.681 179.264 177.584 -0.001 0.000 1.169 438 A CA 1.180 53.194 52.037 -0.039 0.000 0.635 438 A CB -0.368 18.619 19.000 -0.022 0.000 0.810 438 A HN 0.431 nan 8.150 nan 0.000 0.446 439 L N -0.803 120.452 121.223 0.053 0.000 2.872 439 L HA 0.204 4.545 4.340 0.001 0.000 0.245 439 L C 2.274 179.264 176.870 0.199 0.000 1.211 439 L CA 0.214 55.136 54.840 0.137 0.000 1.013 439 L CB -0.199 42.002 42.059 0.236 0.000 1.326 439 L HN 0.406 nan 8.230 nan 0.000 0.525 440 A N 1.550 124.394 122.820 0.041 0.000 1.915 440 A HA -0.323 3.997 4.320 0.001 0.000 0.220 440 A C 1.984 179.667 177.584 0.164 0.000 1.198 440 A CA 2.575 54.600 52.037 -0.020 0.000 0.647 440 A CB -0.496 18.370 19.000 -0.223 0.000 0.825 440 A HN 0.651 nan 8.150 nan 0.000 0.456 441 D N 0.112 120.569 120.400 0.094 0.000 2.149 441 D HA -0.176 4.464 4.640 0.001 0.000 0.198 441 D C 1.635 177.990 176.300 0.091 0.000 0.990 441 D CA 1.540 55.595 54.000 0.092 0.000 0.839 441 D CB -0.559 40.268 40.800 0.044 0.000 0.948 441 D HN 0.409 nan 8.370 nan 0.000 0.460 442 I N -0.180 120.436 120.570 0.076 0.000 2.193 442 I HA -0.136 4.034 4.170 0.001 0.000 0.240 442 I C 2.419 178.516 176.117 -0.032 0.000 1.084 442 I CA 0.708 61.999 61.300 -0.016 0.000 1.365 442 I CB -1.309 36.630 38.000 -0.101 0.000 1.064 442 I HN -0.075 nan 8.210 nan 0.000 0.410 443 F N 1.675 121.633 119.950 0.014 0.000 2.161 443 F HA -0.166 4.361 4.527 0.001 0.000 0.300 443 F C 2.625 178.346 175.800 -0.132 0.000 1.089 443 F CA 1.405 59.378 58.000 -0.045 0.000 1.282 443 F CB -0.679 38.384 39.000 0.105 0.000 1.010 443 F HN 0.043 nan 8.300 nan 0.000 0.485 444 A N -0.313 122.644 122.820 0.229 0.000 2.186 444 A HA -0.195 4.126 4.320 0.001 0.000 0.219 444 A C 2.063 179.608 177.584 -0.065 0.000 1.159 444 A CA 1.514 53.565 52.037 0.022 0.000 0.680 444 A CB -0.563 18.558 19.000 0.202 0.000 0.787 444 A HN 0.414 nan 8.150 nan 0.000 0.467 445 K N -0.803 119.570 120.400 -0.044 0.000 2.242 445 K HA 0.032 4.352 4.320 0.001 0.000 0.200 445 K C 1.492 178.058 176.600 -0.056 0.000 1.050 445 K CA 1.100 57.362 56.287 -0.040 0.000 0.981 445 K CB 0.088 32.573 32.500 -0.025 0.000 0.795 445 K HN 0.566 nan 8.250 nan 0.000 0.477 446 E N 0.537 120.678 120.200 -0.097 0.000 2.364 446 E HA 0.045 4.396 4.350 0.001 0.000 0.196 446 E C 0.122 176.660 176.600 -0.103 0.000 0.990 446 E CA 0.111 56.486 56.400 -0.042 0.000 0.886 446 E CB 0.676 30.378 29.700 0.003 0.000 0.866 446 E HN -0.066 nan 8.360 nan 0.000 0.493 447 V N 2.137 121.832 119.914 -0.366 0.000 2.837 447 V HA 0.022 4.143 4.120 0.001 0.000 0.310 447 V C 0.762 176.649 176.094 -0.345 0.000 1.059 447 V CA -0.210 61.774 62.300 -0.526 0.000 1.004 447 V CB 1.690 32.959 31.823 -0.923 0.000 1.045 447 V HN 0.051 nan 8.190 nan 0.000 0.465 448 D N 1.293 121.550 120.400 -0.237 0.000 2.301 448 D HA 0.148 4.789 4.640 0.001 0.000 0.206 448 D C 0.021 176.225 176.300 -0.159 0.000 0.979 448 D CA 1.181 55.147 54.000 -0.056 0.000 0.874 448 D CB 0.584 41.502 40.800 0.197 0.000 0.968 448 D HN 0.513 nan 8.370 nan 0.000 0.510 449 F N -1.687 117.879 119.950 -0.640 0.000 2.773 449 F HA 0.567 5.095 4.527 0.001 0.000 0.314 449 F C -1.806 173.450 175.800 -0.906 0.000 1.160 449 F CA -1.540 55.854 58.000 -1.009 0.000 0.920 449 F CB 0.831 38.851 39.000 -1.635 0.000 1.323 449 F HN -0.374 nan 8.300 nan 0.000 0.457 450 F N 0.660 120.280 119.950 -0.550 0.000 2.563 450 F HA 0.672 5.199 4.527 0.000 0.000 0.316 450 F C -0.119 175.540 175.800 -0.234 0.000 1.076 450 F CA -1.156 56.584 58.000 -0.433 0.000 0.921 450 F CB 2.336 41.150 39.000 -0.310 0.000 1.209 450 F HN 0.648 nan 8.300 nan 0.000 0.462 451 S N 3.242 118.980 115.700 0.064 0.000 2.779 451 S HA 0.542 5.012 4.470 0.001 0.000 0.293 451 S C -0.866 173.750 174.600 0.026 0.000 1.150 451 S CA -0.528 57.735 58.200 0.104 0.000 1.057 451 S CB 0.286 63.608 63.200 0.202 0.000 1.021 451 S HN 0.497 nan 8.310 nan 0.000 0.485 452 I N 4.319 124.883 120.570 -0.011 0.000 2.436 452 I HA 0.258 4.428 4.170 0.001 0.000 0.289 452 I C 1.249 177.346 176.117 -0.034 0.000 1.083 452 I CA -0.073 61.190 61.300 -0.061 0.000 1.372 452 I CB 0.708 38.648 38.000 -0.099 0.000 1.408 452 I HN 0.748 nan 8.210 nan 0.000 0.516 453 G N 3.890 112.668 108.800 -0.037 0.000 3.058 453 G HA2 0.193 4.153 3.960 0.001 0.000 0.316 453 G HA3 0.193 4.153 3.960 0.001 0.000 0.316 453 G C 1.143 176.016 174.900 -0.045 0.000 0.951 453 G CA -0.279 44.808 45.100 -0.022 0.000 1.535 453 G HN 0.776 nan 8.290 nan 0.000 0.500 454 T N -0.186 114.337 114.554 -0.052 0.000 2.929 454 T HA -0.190 4.160 4.350 0.001 0.000 0.271 454 T C 2.046 176.702 174.700 -0.073 0.000 1.085 454 T CA 1.067 63.117 62.100 -0.083 0.000 1.125 454 T CB -0.093 68.719 68.868 -0.093 0.000 0.874 454 T HN 0.274 nan 8.240 nan 0.000 0.494 455 N N 2.186 120.875 118.700 -0.019 0.000 2.104 455 N HA -0.097 4.643 4.740 0.001 0.000 0.190 455 N C 1.426 176.933 175.510 -0.006 0.000 1.024 455 N CA 1.690 54.770 53.050 0.050 0.000 0.853 455 N CB -0.418 38.076 38.487 0.012 0.000 1.008 455 N HN 0.517 nan 8.380 nan 0.000 0.424 456 D N -0.067 120.266 120.400 -0.112 0.000 2.301 456 D HA 0.012 4.653 4.640 0.001 0.000 0.206 456 D C 2.006 178.175 176.300 -0.217 0.000 0.979 456 D CA -0.048 53.794 54.000 -0.263 0.000 0.874 456 D CB -0.113 40.537 40.800 -0.249 0.000 0.968 456 D HN 0.091 nan 8.370 nan 0.000 0.510 457 L N 0.873 122.041 121.223 -0.091 0.000 2.056 457 L HA -0.041 4.299 4.340 0.001 0.000 0.207 457 L C 2.045 178.850 176.870 -0.109 0.000 1.078 457 L CA 1.262 56.073 54.840 -0.049 0.000 0.749 457 L CB -0.337 41.675 42.059 -0.079 0.000 0.901 457 L HN -0.075 nan 8.230 nan 0.000 0.433 458 I N -0.700 119.746 120.570 -0.207 0.000 2.163 458 I HA -0.348 3.823 4.170 0.001 0.000 0.243 458 I C 2.616 178.594 176.117 -0.232 0.000 1.085 458 I CA 1.747 62.844 61.300 -0.339 0.000 1.347 458 I CB -0.412 37.133 38.000 -0.759 0.000 1.044 458 I HN 0.500 nan 8.210 nan 0.000 0.408 459 Q N 0.707 120.425 119.800 -0.138 0.000 2.030 459 Q HA -0.254 4.086 4.340 0.001 0.000 0.204 459 Q C 2.300 178.244 176.000 -0.092 0.000 0.986 459 Q CA 2.135 57.891 55.803 -0.080 0.000 0.843 459 Q CB -0.318 28.294 28.738 -0.210 0.000 0.904 459 Q HN 0.572 nan 8.270 nan 0.000 0.420 460 Y N -0.201 120.095 120.300 -0.007 0.000 2.314 460 Y HA -0.099 4.452 4.550 0.001 0.000 0.293 460 Y C 2.544 178.422 175.900 -0.036 0.000 1.129 460 Y CA 1.081 59.172 58.100 -0.014 0.000 1.201 460 Y CB 0.103 38.545 38.460 -0.029 0.000 0.999 460 Y HN 0.187 nan 8.280 nan 0.000 0.541 461 T N -0.172 114.433 114.554 0.084 0.000 2.904 461 T HA -0.075 4.276 4.350 0.001 0.000 0.267 461 T C 1.515 176.206 174.700 -0.016 0.000 1.059 461 T CA 0.996 63.102 62.100 0.011 0.000 1.137 461 T CB -0.052 68.790 68.868 -0.043 0.000 0.879 461 T HN 0.184 nan 8.240 nan 0.000 0.467 462 M N 0.036 119.615 119.600 -0.035 0.000 2.371 462 M HA 0.473 4.953 4.480 0.001 0.000 0.246 462 M C 1.386 177.673 176.300 -0.021 0.000 1.103 462 M CA -0.086 55.183 55.300 -0.052 0.000 1.010 462 M CB -0.866 31.674 32.600 -0.100 0.000 1.457 462 M HN 0.252 nan 8.290 nan 0.000 0.486 463 A N 1.351 124.186 122.820 0.025 0.000 2.745 463 A HA -0.024 4.296 4.320 0.001 0.000 0.296 463 A C 0.464 178.067 177.584 0.031 0.000 1.500 463 A CA 0.814 52.884 52.037 0.055 0.000 0.766 463 A CB -2.117 16.908 19.000 0.041 0.000 1.030 463 A HN 0.716 nan 8.150 nan 0.000 0.489 464 A N 0.176 123.011 122.820 0.026 0.000 2.335 464 A HA 0.570 4.890 4.320 0.001 0.000 0.304 464 A C -0.115 177.507 177.584 0.063 0.000 1.118 464 A CA 0.087 52.136 52.037 0.019 0.000 0.757 464 A CB 0.612 19.597 19.000 -0.025 0.000 1.188 464 A HN 0.612 nan 8.150 nan 0.000 0.460 465 D N 2.706 123.138 120.400 0.053 0.000 2.502 465 D HA -0.069 4.572 4.640 0.001 0.000 0.249 465 D C 1.621 177.931 176.300 0.017 0.000 1.188 465 D CA 0.208 54.258 54.000 0.084 0.000 0.890 465 D CB 0.637 41.461 40.800 0.040 0.000 1.140 465 D HN 0.682 nan 8.370 nan 0.000 0.505 466 R N 3.500 123.995 120.500 -0.009 0.000 2.200 466 R HA -0.141 4.199 4.340 0.001 0.000 0.234 466 R C 1.142 177.291 176.300 -0.253 0.000 1.127 466 R CA 0.938 56.861 56.100 -0.295 0.000 0.989 466 R CB -0.078 30.066 30.300 -0.260 0.000 0.869 466 R HN 0.359 nan 8.270 nan 0.000 0.459 467 M N 0.604 120.178 119.600 -0.044 0.000 2.371 467 M HA 0.188 4.668 4.480 0.001 0.000 0.246 467 M C 0.308 176.581 176.300 -0.044 0.000 1.103 467 M CA -0.016 55.263 55.300 -0.036 0.000 1.010 467 M CB 0.612 33.242 32.600 0.051 0.000 1.457 467 M HN 0.016 nan 8.290 nan 0.000 0.486 468 S N 0.727 116.400 115.700 -0.045 0.000 2.475 468 S HA 0.186 4.656 4.470 0.001 0.000 0.281 468 S C 1.045 175.632 174.600 -0.022 0.000 1.198 468 S CA -0.166 58.016 58.200 -0.030 0.000 1.063 468 S CB 1.563 64.751 63.200 -0.020 0.000 0.972 468 S HN 0.227 nan 8.310 nan 0.000 0.486 469 E N 3.991 124.188 120.200 -0.005 0.000 2.028 469 E HA -0.023 4.327 4.350 0.001 0.000 0.190 469 E C 1.900 178.534 176.600 0.056 0.000 0.984 469 E CA 1.453 57.863 56.400 0.016 0.000 0.800 469 E CB 0.001 29.709 29.700 0.013 0.000 0.758 469 E HN 0.722 nan 8.360 nan 0.000 0.448 470 R N -0.443 120.091 120.500 0.057 0.000 2.261 470 R HA -0.095 4.246 4.340 0.001 0.000 0.236 470 R C 1.486 177.896 176.300 0.184 0.000 1.141 470 R CA 1.298 57.457 56.100 0.099 0.000 1.001 470 R CB -0.170 30.171 30.300 0.068 0.000 0.866 470 R HN 0.238 nan 8.270 nan 0.000 0.468 471 V N -2.951 117.031 119.914 0.113 0.000 3.166 471 V HA 0.162 4.282 4.120 0.001 0.000 0.332 471 V C 1.448 177.498 176.094 -0.073 0.000 1.434 471 V CA 0.194 62.505 62.300 0.018 0.000 1.121 471 V CB 0.749 32.532 31.823 -0.065 0.000 1.062 471 V HN 0.144 nan 8.190 nan 0.000 0.489 472 S N 1.092 116.823 115.700 0.052 0.000 2.442 472 S HA -0.258 4.212 4.470 0.001 0.000 0.236 472 S C 1.801 176.451 174.600 0.085 0.000 1.007 472 S CA 1.584 59.809 58.200 0.041 0.000 0.965 472 S CB -1.141 62.081 63.200 0.037 0.000 0.773 472 S HN 1.032 nan 8.310 nan 0.000 0.504 473 Y N 0.967 121.299 120.300 0.053 0.000 2.574 473 Y HA 0.293 4.844 4.550 0.000 0.000 0.294 473 Y C 1.616 177.548 175.900 0.053 0.000 1.142 473 Y CA 0.323 58.454 58.100 0.051 0.000 1.314 473 Y CB -0.483 37.998 38.460 0.035 0.000 0.991 473 Y HN 0.217 nan 8.280 nan 0.000 0.555 474 L N -0.935 119.999 121.223 -0.481 0.000 2.585 474 L HA 0.070 4.410 4.340 0.001 0.000 0.226 474 L C 0.106 176.897 176.870 -0.132 0.000 1.113 474 L CA -0.193 54.428 54.840 -0.365 0.000 0.876 474 L CB -0.103 41.653 42.059 -0.506 0.000 1.072 474 L HN 0.162 nan 8.230 nan 0.000 0.468 475 Y N 2.684 122.879 120.300 -0.175 0.000 2.573 475 Y HA 0.122 4.672 4.550 0.001 0.000 0.346 475 Y C 0.090 175.908 175.900 -0.137 0.000 1.198 475 Y CA -0.181 57.836 58.100 -0.138 0.000 1.627 475 Y CB -0.289 38.104 38.460 -0.112 0.000 1.457 475 Y HN 0.133 nan 8.280 nan 0.000 0.483 476 Q N 7.832 127.450 119.800 -0.304 0.000 2.506 476 Q HA 0.198 4.538 4.340 0.001 0.000 0.242 476 Q C -1.740 174.019 176.000 -0.401 0.000 1.060 476 Q CA -1.999 53.640 55.803 -0.273 0.000 0.826 476 Q CB 1.212 29.873 28.738 -0.129 0.000 1.169 476 Q HN 0.460 nan 8.270 nan 0.000 0.521 477 P HA -0.201 nan 4.420 nan 0.000 0.220 477 P C 0.113 177.154 177.300 -0.432 0.000 1.148 477 P CA 1.420 64.171 63.100 -0.582 0.000 0.803 477 P CB 0.173 31.459 31.700 -0.691 0.000 0.782 478 Y N -1.416 118.843 120.300 -0.069 0.000 2.457 478 Y HA 0.172 4.723 4.550 0.000 0.000 0.263 478 Y C 1.379 177.249 175.900 -0.050 0.000 1.164 478 Y CA -0.894 57.177 58.100 -0.047 0.000 1.274 478 Y CB -0.556 37.890 38.460 -0.023 0.000 1.097 478 Y HN -0.041 nan 8.280 nan 0.000 0.523 479 N N 2.616 121.319 118.700 0.005 0.000 2.458 479 N HA -0.044 4.696 4.740 0.001 0.000 0.258 479 N C -1.940 173.563 175.510 -0.011 0.000 1.219 479 N CA -0.926 52.121 53.050 -0.006 0.000 0.902 479 N CB 1.311 39.766 38.487 -0.055 0.000 1.076 479 N HN -0.010 nan 8.380 nan 0.000 0.455 480 P HA -0.151 nan 4.420 nan 0.000 0.217 480 P C 0.775 178.057 177.300 -0.031 0.000 1.148 480 P CA 1.615 64.707 63.100 -0.013 0.000 0.834 480 P CB 0.110 31.805 31.700 -0.009 0.000 0.783 481 A N -0.567 122.230 122.820 -0.038 0.000 1.902 481 A HA -0.195 4.126 4.320 0.001 0.000 0.217 481 A C 2.110 179.653 177.584 -0.067 0.000 1.181 481 A CA 1.515 53.522 52.037 -0.050 0.000 0.623 481 A CB -1.445 17.524 19.000 -0.051 0.000 0.818 481 A HN 0.045 nan 8.150 nan 0.000 0.443 482 I N 0.080 120.602 120.570 -0.081 0.000 2.202 482 I HA -0.208 3.963 4.170 0.001 0.000 0.242 482 I C 2.497 178.564 176.117 -0.085 0.000 1.091 482 I CA 1.177 62.416 61.300 -0.102 0.000 1.368 482 I CB -1.444 36.473 38.000 -0.139 0.000 1.058 482 I HN 0.304 nan 8.210 nan 0.000 0.410 483 L N 0.025 121.212 121.223 -0.060 0.000 2.042 483 L HA -0.211 4.129 4.340 0.001 0.000 0.210 483 L C 2.799 179.632 176.870 -0.061 0.000 1.076 483 L CA 1.351 56.161 54.840 -0.049 0.000 0.749 483 L CB -0.694 41.349 42.059 -0.027 0.000 0.893 483 L HN 0.210 nan 8.230 nan 0.000 0.432 484 R N 0.072 120.537 120.500 -0.059 0.000 2.081 484 R HA -0.106 4.234 4.340 0.001 0.000 0.235 484 R C 2.323 178.574 176.300 -0.081 0.000 1.131 484 R CA 1.163 57.226 56.100 -0.061 0.000 0.960 484 R CB -0.383 29.887 30.300 -0.051 0.000 0.856 484 R HN 0.351 nan 8.270 nan 0.000 0.436 485 L N 0.324 121.492 121.223 -0.092 0.000 2.093 485 L HA -0.145 4.196 4.340 0.001 0.000 0.208 485 L C 2.427 179.209 176.870 -0.146 0.000 1.085 485 L CA 0.904 55.673 54.840 -0.117 0.000 0.755 485 L CB -0.419 41.570 42.059 -0.116 0.000 0.904 485 L HN 0.041 nan 8.230 nan 0.000 0.435 486 V N 0.311 120.146 119.914 -0.132 0.000 2.343 486 V HA -0.317 3.804 4.120 0.001 0.000 0.247 486 V C 2.588 178.595 176.094 -0.145 0.000 1.051 486 V CA 1.991 64.204 62.300 -0.144 0.000 1.036 486 V CB -0.525 31.229 31.823 -0.115 0.000 0.654 486 V HN 0.466 nan 8.190 nan 0.000 0.451 487 K N 0.473 120.805 120.400 -0.113 0.000 2.097 487 K HA -0.263 4.058 4.320 0.001 0.000 0.206 487 K C 2.272 178.802 176.600 -0.116 0.000 1.049 487 K CA 1.933 58.159 56.287 -0.101 0.000 0.933 487 K CB -0.160 32.298 32.500 -0.069 0.000 0.717 487 K HN 0.731 nan 8.250 nan 0.000 0.442 488 Q N -0.063 119.664 119.800 -0.122 0.000 2.297 488 Q HA -0.063 4.277 4.340 0.001 0.000 0.204 488 Q C 1.667 177.561 176.000 -0.177 0.000 0.962 488 Q CA 1.085 56.815 55.803 -0.122 0.000 0.879 488 Q CB 0.071 28.747 28.738 -0.103 0.000 0.947 488 Q HN 0.106 nan 8.270 nan 0.000 0.462 489 V N 1.216 120.976 119.914 -0.256 0.000 2.346 489 V HA -0.201 3.919 4.120 0.001 0.000 0.244 489 V C 2.319 178.239 176.094 -0.290 0.000 1.037 489 V CA 1.362 63.410 62.300 -0.420 0.000 1.029 489 V CB -0.417 31.074 31.823 -0.554 0.000 0.663 489 V HN 0.343 nan 8.190 nan 0.000 0.454 490 I N 0.029 120.455 120.570 -0.240 0.000 2.142 490 I HA -0.256 3.914 4.170 0.001 0.000 0.240 490 I C 2.602 178.499 176.117 -0.367 0.000 1.078 490 I CA 1.775 62.900 61.300 -0.290 0.000 1.343 490 I CB -0.425 37.416 38.000 -0.265 0.000 1.046 490 I HN 0.368 nan 8.210 nan 0.000 0.405 491 E N 0.762 120.837 120.200 -0.208 0.000 2.153 491 E HA -0.217 4.133 4.350 0.001 0.000 0.194 491 E C 2.285 178.872 176.600 -0.022 0.000 0.988 491 E CA 1.234 57.577 56.400 -0.095 0.000 0.811 491 E CB -0.147 29.530 29.700 -0.038 0.000 0.746 491 E HN 0.530 nan 8.360 nan 0.000 0.466 492 A N 1.274 124.078 122.820 -0.027 0.000 1.969 492 A HA -0.161 4.159 4.320 0.001 0.000 0.218 492 A C 2.318 179.983 177.584 0.136 0.000 1.169 492 A CA 1.687 53.755 52.037 0.052 0.000 0.635 492 A CB -0.391 18.632 19.000 0.038 0.000 0.810 492 A HN 0.323 nan 8.150 nan 0.000 0.445 493 S N -0.847 114.950 115.700 0.162 0.000 2.414 493 S HA -0.153 4.317 4.470 0.001 0.000 0.227 493 S C 1.724 176.458 174.600 0.224 0.000 1.022 493 S CA 1.152 59.473 58.200 0.201 0.000 0.958 493 S CB -0.934 62.415 63.200 0.249 0.000 0.797 493 S HN 0.764 nan 8.310 nan 0.000 0.493 494 H N 1.316 120.458 119.070 0.120 0.000 2.389 494 H HA 0.171 4.727 4.556 0.001 0.000 0.299 494 H C 2.535 177.912 175.328 0.082 0.000 1.081 494 H CA 0.700 56.812 56.048 0.107 0.000 1.345 494 H CB -0.143 29.679 29.762 0.100 0.000 1.393 494 H HN 0.603 nan 8.280 nan 0.000 0.520 495 A N 0.899 123.839 122.820 0.198 0.000 2.015 495 A HA -0.124 4.197 4.320 0.001 0.000 0.219 495 A C 1.759 179.402 177.584 0.098 0.000 1.163 495 A CA 1.239 53.349 52.037 0.122 0.000 0.646 495 A CB 0.086 19.140 19.000 0.090 0.000 0.806 495 A HN 0.287 nan 8.150 nan 0.000 0.448 496 E N -1.302 118.960 120.200 0.104 0.000 2.463 496 E HA 0.233 4.584 4.350 0.001 0.000 0.193 496 E C 1.140 177.788 176.600 0.081 0.000 1.041 496 E CA 0.531 56.975 56.400 0.073 0.000 0.879 496 E CB -0.025 29.705 29.700 0.050 0.000 0.997 496 E HN 0.716 nan 8.360 nan 0.000 0.478 497 G N 1.894 110.760 108.800 0.111 0.000 2.162 497 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 497 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 497 G C 0.540 175.531 174.900 0.152 0.000 0.976 497 G CA 0.598 45.766 45.100 0.112 0.000 0.655 497 G HN 0.117 nan 8.290 nan 0.000 0.533 498 K N -0.333 120.167 120.400 0.167 0.000 2.520 498 K HA 0.649 4.969 4.320 0.001 0.000 0.256 498 K C 0.792 177.600 176.600 0.346 0.000 1.033 498 K CA -0.205 56.193 56.287 0.185 0.000 1.007 498 K CB 0.649 33.147 32.500 -0.005 0.000 1.330 498 K HN 0.614 nan 8.250 nan 0.000 0.507 499 W N -1.004 120.412 121.300 0.194 0.000 2.929 499 W HA 0.585 5.245 4.660 0.001 0.000 0.345 499 W C -1.296 175.374 176.519 0.250 0.000 1.151 499 W CA -0.805 56.688 57.345 0.247 0.000 1.111 499 W CB 0.519 30.076 29.460 0.163 0.000 1.449 499 W HN 0.220 nan 8.180 nan 0.000 0.572 500 T N 1.082 115.888 114.554 0.421 0.000 2.881 500 T HA 0.586 4.936 4.350 0.001 0.000 0.290 500 T C -0.054 174.868 174.700 0.370 0.000 1.000 500 T CA -0.303 61.922 62.100 0.209 0.000 0.978 500 T CB 1.871 70.796 68.868 0.096 0.000 0.997 500 T HN 0.763 nan 8.240 nan 0.000 0.443 501 G N 1.421 110.405 108.800 0.306 0.000 2.932 501 G HA2 0.816 4.777 3.960 0.001 0.000 0.283 501 G HA3 0.816 4.777 3.960 0.001 0.000 0.283 501 G C -1.376 173.593 174.900 0.115 0.000 1.336 501 G CA -0.816 44.481 45.100 0.329 0.000 1.056 501 G HN 0.716 nan 8.290 nan 0.000 0.522 502 M N 0.088 119.726 119.600 0.065 0.000 2.277 502 M HA 0.330 4.811 4.480 0.001 0.000 0.282 502 M C -0.199 176.135 176.300 0.057 0.000 1.074 502 M CA -0.864 54.442 55.300 0.009 0.000 0.954 502 M CB 1.588 34.128 32.600 -0.099 0.000 1.672 502 M HN 0.674 nan 8.290 nan 0.000 0.471 503 C N 1.112 120.449 119.300 0.062 0.000 3.336 503 C HA 0.624 5.084 4.460 0.001 0.000 0.291 503 C C 1.063 176.085 174.990 0.054 0.000 1.363 503 C CA -0.113 58.950 59.018 0.075 0.000 1.737 503 C CB -1.104 26.691 27.740 0.091 0.000 2.274 503 C HN 0.861 nan 8.230 nan 0.000 0.663 504 G N 0.779 109.598 108.800 0.032 0.000 2.569 504 G HA2 0.366 4.327 3.960 0.001 0.000 0.249 504 G HA3 0.366 4.327 3.960 0.001 0.000 0.249 504 G C 0.790 175.715 174.900 0.041 0.000 1.216 504 G CA -0.075 45.040 45.100 0.024 0.000 0.845 504 G HN 0.338 nan 8.290 nan 0.000 0.568 505 E N 0.641 120.868 120.200 0.045 0.000 2.233 505 E HA -0.230 4.121 4.350 0.001 0.000 0.199 505 E C 2.273 178.914 176.600 0.067 0.000 1.004 505 E CA 0.882 57.317 56.400 0.057 0.000 0.819 505 E CB -0.184 29.551 29.700 0.058 0.000 0.738 505 E HN 0.651 nan 8.360 nan 0.000 0.478 506 M N 0.275 119.903 119.600 0.048 0.000 2.106 506 M HA -0.212 4.268 4.480 0.001 0.000 0.259 506 M C 2.121 178.487 176.300 0.110 0.000 1.068 506 M CA 1.887 57.222 55.300 0.058 0.000 1.100 506 M CB -0.103 32.498 32.600 0.001 0.000 1.351 506 M HN 0.101 nan 8.290 nan 0.000 0.404 507 A N -0.674 122.210 122.820 0.105 0.000 2.131 507 A HA -0.050 4.271 4.320 0.001 0.000 0.220 507 A C 1.923 179.668 177.584 0.269 0.000 1.158 507 A CA 1.658 53.812 52.037 0.195 0.000 0.665 507 A CB -1.059 18.027 19.000 0.144 0.000 0.795 507 A HN 0.662 nan 8.150 nan 0.000 0.460 508 G N -1.498 107.401 108.800 0.166 0.000 3.324 508 G HA2 0.199 4.160 3.960 0.001 0.000 0.251 508 G HA3 0.199 4.160 3.960 0.001 0.000 0.251 508 G C -0.117 174.848 174.900 0.109 0.000 1.072 508 G CA 0.154 45.330 45.100 0.127 0.000 0.787 508 G HN 0.356 nan 8.290 nan 0.000 0.537 509 D N 0.643 121.124 120.400 0.135 0.000 2.317 509 D HA 0.120 4.760 4.640 0.001 0.000 0.252 509 D C 1.192 177.567 176.300 0.125 0.000 1.174 509 D CA -0.318 53.765 54.000 0.138 0.000 0.866 509 D CB 1.197 42.110 40.800 0.188 0.000 1.127 509 D HN -0.013 nan 8.370 nan 0.000 0.467 510 Q N 2.120 121.971 119.800 0.086 0.000 2.181 510 Q HA -0.107 4.233 4.340 0.001 0.000 0.205 510 Q C 1.576 177.599 176.000 0.038 0.000 0.980 510 Q CA 1.358 57.191 55.803 0.051 0.000 0.862 510 Q CB -0.144 28.612 28.738 0.029 0.000 0.905 510 Q HN 0.544 nan 8.270 nan 0.000 0.429 511 T N 0.616 115.190 114.554 0.033 0.000 2.985 511 T HA 0.052 4.402 4.350 0.001 0.000 0.266 511 T C 1.765 176.449 174.700 -0.025 0.000 1.076 511 T CA 0.991 63.042 62.100 -0.082 0.000 1.135 511 T CB 0.028 68.705 68.868 -0.318 0.000 0.890 511 T HN 0.366 nan 8.240 nan 0.000 0.480 512 A N 0.965 123.875 122.820 0.150 0.000 1.935 512 A HA 0.208 4.529 4.320 0.001 0.000 0.214 512 A C 2.173 179.859 177.584 0.170 0.000 1.178 512 A CA 0.392 52.550 52.037 0.202 0.000 0.640 512 A CB -0.541 18.616 19.000 0.262 0.000 0.825 512 A HN 0.454 nan 8.150 nan 0.000 0.447 513 I N 0.337 121.019 120.570 0.185 0.000 2.145 513 I HA -0.234 3.936 4.170 0.001 0.000 0.244 513 I C -0.585 175.647 176.117 0.193 0.000 1.075 513 I CA 1.764 63.211 61.300 0.246 0.000 1.332 513 I CB -1.205 36.871 38.000 0.127 0.000 1.033 513 I HN 0.209 nan 8.210 nan 0.000 0.410 514 P HA -0.166 nan 4.420 nan 0.000 0.215 514 P C 1.909 179.246 177.300 0.061 0.000 1.153 514 P CA 1.495 64.633 63.100 0.064 0.000 0.853 514 P CB 0.032 31.746 31.700 0.025 0.000 0.788 515 L N -1.679 119.576 121.223 0.052 0.000 2.027 515 L HA -0.134 4.206 4.340 0.001 0.000 0.206 515 L C 2.451 179.357 176.870 0.061 0.000 1.074 515 L CA 1.241 56.097 54.840 0.027 0.000 0.745 515 L CB -1.007 41.065 42.059 0.022 0.000 0.898 515 L HN -0.075 nan 8.230 nan 0.000 0.433 516 L N -0.711 120.579 121.223 0.113 0.000 2.079 516 L HA -0.255 4.085 4.340 0.001 0.000 0.210 516 L C 2.547 179.523 176.870 0.178 0.000 1.081 516 L CA 1.161 56.054 54.840 0.087 0.000 0.752 516 L CB -0.545 41.538 42.059 0.040 0.000 0.896 516 L HN 0.274 nan 8.230 nan 0.000 0.433 517 L N -0.147 121.260 121.223 0.307 0.000 2.012 517 L HA -0.173 4.168 4.340 0.001 0.000 0.210 517 L C 2.615 179.579 176.870 0.157 0.000 1.073 517 L CA 1.635 56.665 54.840 0.317 0.000 0.748 517 L CB -0.842 41.358 42.059 0.236 0.000 0.891 517 L HN 0.330 nan 8.230 nan 0.000 0.431 518 G N -0.404 108.444 108.800 0.080 0.000 2.422 518 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 518 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 518 G C 1.514 176.425 174.900 0.017 0.000 1.146 518 G CA 0.556 45.665 45.100 0.016 0.000 0.769 518 G HN 0.318 nan 8.290 nan 0.000 0.547 519 L N 0.308 121.548 121.223 0.029 0.000 2.456 519 L HA 0.190 4.530 4.340 0.001 0.000 0.224 519 L C 2.021 178.920 176.870 0.049 0.000 1.148 519 L CA 0.595 55.444 54.840 0.014 0.000 0.825 519 L CB -0.125 41.926 42.059 -0.014 0.000 0.937 519 L HN 0.406 nan 8.230 nan 0.000 0.450 520 G N 0.578 109.444 108.800 0.111 0.000 2.142 520 G HA2 -0.261 3.699 3.960 0.001 0.000 0.225 520 G HA3 -0.261 3.699 3.960 0.001 0.000 0.225 520 G C -0.113 174.947 174.900 0.266 0.000 1.015 520 G CA -0.169 45.065 45.100 0.223 0.000 0.716 520 G HN 0.150 nan 8.290 nan 0.000 0.508 521 L N 0.889 122.193 121.223 0.135 0.000 2.455 521 L HA 0.387 4.727 4.340 0.001 0.000 0.272 521 L C 1.281 178.263 176.870 0.187 0.000 1.174 521 L CA 0.596 55.447 54.840 0.019 0.000 0.869 521 L CB 0.431 42.270 42.059 -0.366 0.000 1.130 521 L HN 0.238 nan 8.230 nan 0.000 0.474 522 D N 3.238 123.796 120.400 0.264 0.000 2.120 522 D HA -0.035 4.605 4.640 0.001 0.000 0.202 522 D C -0.233 176.222 176.300 0.258 0.000 0.972 522 D CA 1.272 55.450 54.000 0.297 0.000 0.837 522 D CB 0.356 41.380 40.800 0.374 0.000 0.989 522 D HN 0.641 nan 8.370 nan 0.000 0.469 523 E N 0.024 120.369 120.200 0.242 0.000 2.256 523 E HA 0.348 4.699 4.350 0.001 0.000 0.268 523 E C -1.135 175.605 176.600 0.233 0.000 0.877 523 E CA -0.559 55.994 56.400 0.255 0.000 0.757 523 E CB 1.947 31.718 29.700 0.119 0.000 1.183 523 E HN -0.125 nan 8.360 nan 0.000 0.418 524 F N 1.071 121.067 119.950 0.076 0.000 2.421 524 F HA 0.404 4.932 4.527 0.001 0.000 0.337 524 F C 0.579 176.413 175.800 0.057 0.000 1.105 524 F CA -0.731 57.312 58.000 0.072 0.000 1.049 524 F CB 2.008 41.039 39.000 0.052 0.000 1.139 524 F HN 0.189 nan 8.300 nan 0.000 0.479 525 S N 5.371 121.204 115.700 0.221 0.000 2.532 525 S HA 0.900 5.370 4.470 0.001 0.000 0.299 525 S C -0.656 174.016 174.600 0.120 0.000 1.105 525 S CA -0.599 57.688 58.200 0.145 0.000 1.018 525 S CB 0.551 63.827 63.200 0.127 0.000 1.021 525 S HN 0.698 nan 8.310 nan 0.000 0.483 526 M N 1.511 121.164 119.600 0.089 0.000 3.008 526 M HA 0.583 5.063 4.480 0.001 0.000 0.271 526 M C -0.850 175.474 176.300 0.040 0.000 1.265 526 M CA -0.913 54.429 55.300 0.070 0.000 0.817 526 M CB 1.114 33.762 32.600 0.080 0.000 1.638 526 M HN 0.328 nan 8.290 nan 0.000 0.479 527 S N 1.148 116.867 115.700 0.031 0.000 2.558 527 S HA 0.283 4.754 4.470 0.001 0.000 0.288 527 S C 1.284 175.887 174.600 0.004 0.000 1.318 527 S CA 0.185 58.392 58.200 0.013 0.000 1.056 527 S CB 1.194 64.402 63.200 0.012 0.000 0.853 527 S HN 0.759 nan 8.310 nan 0.000 0.505 528 A N 2.875 125.689 122.820 -0.011 0.000 1.948 528 A HA -0.151 4.170 4.320 0.001 0.000 0.220 528 A C 2.111 179.685 177.584 -0.017 0.000 1.177 528 A CA 2.027 54.053 52.037 -0.018 0.000 0.636 528 A CB -1.421 17.561 19.000 -0.031 0.000 0.815 528 A HN 0.925 nan 8.150 nan 0.000 0.449 529 T N -3.282 111.264 114.554 -0.014 0.000 3.496 529 T HA 0.220 4.570 4.350 0.001 0.000 0.253 529 T C 0.916 175.610 174.700 -0.010 0.000 1.134 529 T CA 0.990 63.082 62.100 -0.014 0.000 0.993 529 T CB -0.058 68.803 68.868 -0.012 0.000 1.018 529 T HN 0.239 nan 8.240 nan 0.000 0.571 530 S N -0.487 115.210 115.700 -0.006 0.000 2.651 530 S HA 0.362 4.832 4.470 0.001 0.000 0.259 530 S C 1.562 176.155 174.600 -0.011 0.000 1.073 530 S CA -0.460 57.739 58.200 -0.001 0.000 1.090 530 S CB 0.058 63.268 63.200 0.018 0.000 1.042 530 S HN 0.445 nan 8.310 nan 0.000 0.581 531 I N 1.713 122.273 120.570 -0.017 0.000 2.208 531 I HA -0.192 3.978 4.170 0.001 0.000 0.245 531 I C 1.938 178.026 176.117 -0.048 0.000 1.097 531 I CA 0.971 62.252 61.300 -0.031 0.000 1.363 531 I CB -0.331 37.652 38.000 -0.029 0.000 1.051 531 I HN 0.226 nan 8.210 nan 0.000 0.413 532 L N 0.932 122.129 121.223 -0.044 0.000 1.970 532 L HA -0.209 4.131 4.340 0.001 0.000 0.212 532 L C 2.457 179.295 176.870 -0.052 0.000 1.071 532 L CA 1.867 56.677 54.840 -0.050 0.000 0.751 532 L CB -1.095 40.936 42.059 -0.048 0.000 0.889 532 L HN 0.159 nan 8.230 nan 0.000 0.432 533 K N -0.990 119.384 120.400 -0.043 0.000 2.152 533 K HA -0.142 4.179 4.320 0.001 0.000 0.206 533 K C 2.009 178.582 176.600 -0.045 0.000 1.048 533 K CA 1.263 57.527 56.287 -0.039 0.000 0.933 533 K CB -0.216 32.269 32.500 -0.025 0.000 0.721 533 K HN 0.346 nan 8.250 nan 0.000 0.447 534 A N 1.274 124.062 122.820 -0.052 0.000 1.929 534 A HA -0.131 4.189 4.320 0.001 0.000 0.216 534 A C 2.063 179.576 177.584 -0.118 0.000 1.176 534 A CA 1.091 53.081 52.037 -0.078 0.000 0.628 534 A CB -0.334 18.618 19.000 -0.079 0.000 0.816 534 A HN 0.195 nan 8.150 nan 0.000 0.444 535 R N -0.420 120.015 120.500 -0.108 0.000 2.115 535 R HA -0.111 4.229 4.340 0.001 0.000 0.230 535 R C 2.375 178.616 176.300 -0.098 0.000 1.111 535 R CA 1.482 57.511 56.100 -0.118 0.000 0.976 535 R CB -0.244 29.997 30.300 -0.097 0.000 0.870 535 R HN 0.558 nan 8.270 nan 0.000 0.445 536 R N 0.282 120.737 120.500 -0.075 0.000 2.070 536 R HA -0.170 4.170 4.340 0.001 0.000 0.232 536 R C 2.253 178.518 176.300 -0.058 0.000 1.138 536 R CA 1.733 57.797 56.100 -0.060 0.000 0.936 536 R CB -0.493 29.778 30.300 -0.049 0.000 0.839 536 R HN 0.244 nan 8.270 nan 0.000 0.429 537 L N 1.291 122.480 121.223 -0.057 0.000 2.013 537 L HA -0.175 4.165 4.340 0.001 0.000 0.212 537 L C 2.089 178.925 176.870 -0.057 0.000 1.073 537 L CA 1.795 56.606 54.840 -0.048 0.000 0.753 537 L CB -0.463 41.571 42.059 -0.042 0.000 0.890 537 L HN 0.317 nan 8.230 nan 0.000 0.432 538 I N -0.905 119.608 120.570 -0.096 0.000 2.264 538 I HA -0.328 3.843 4.170 0.001 0.000 0.248 538 I C 2.652 178.723 176.117 -0.077 0.000 1.111 538 I CA 1.302 62.537 61.300 -0.108 0.000 1.382 538 I CB -0.354 37.530 38.000 -0.193 0.000 1.060 538 I HN 0.272 nan 8.210 nan 0.000 0.418 539 R N 0.507 120.960 120.500 -0.078 0.000 2.075 539 R HA -0.078 4.262 4.340 0.001 0.000 0.232 539 R C 1.814 178.090 176.300 -0.040 0.000 1.126 539 R CA 1.543 57.603 56.100 -0.066 0.000 0.963 539 R CB -0.257 30.003 30.300 -0.067 0.000 0.858 539 R HN 0.384 nan 8.270 nan 0.000 0.435 540 S N 0.514 116.195 115.700 -0.033 0.000 2.815 540 S HA 0.256 4.727 4.470 0.001 0.000 0.254 540 S C 0.127 174.723 174.600 -0.006 0.000 1.197 540 S CA -0.253 57.936 58.200 -0.018 0.000 1.216 540 S CB -0.386 62.803 63.200 -0.017 0.000 0.871 540 S HN 0.060 nan 8.310 nan 0.000 0.473 541 L N 0.970 122.192 121.223 -0.002 0.000 2.424 541 L HA 0.535 4.876 4.340 0.001 0.000 0.258 541 L C -0.638 176.248 176.870 0.025 0.000 0.995 541 L CA -0.821 54.029 54.840 0.017 0.000 0.821 541 L CB 2.023 44.094 42.059 0.020 0.000 1.383 541 L HN 0.222 nan 8.230 nan 0.000 0.410 542 N N 1.820 120.543 118.700 0.038 0.000 2.424 542 N HA 0.063 4.803 4.740 0.001 0.000 0.271 542 N C 0.505 176.041 175.510 0.043 0.000 0.985 542 N CA -0.126 52.948 53.050 0.040 0.000 0.921 542 N CB 1.990 40.500 38.487 0.038 0.000 1.149 542 N HN 0.741 nan 8.380 nan 0.000 0.492 543 E N 2.568 122.788 120.200 0.034 0.000 2.058 543 E HA -0.177 4.174 4.350 0.001 0.000 0.194 543 E C 1.023 177.612 176.600 -0.018 0.000 0.997 543 E CA 1.114 57.510 56.400 -0.007 0.000 0.801 543 E CB -0.010 29.640 29.700 -0.082 0.000 0.746 543 E HN 0.609 nan 8.360 nan 0.000 0.450 544 S N 0.042 115.740 115.700 -0.003 0.000 2.402 544 S HA -0.181 4.289 4.470 0.001 0.000 0.233 544 S C 1.757 176.381 174.600 0.039 0.000 1.030 544 S CA 1.575 59.780 58.200 0.008 0.000 1.003 544 S CB -0.119 63.091 63.200 0.017 0.000 0.813 544 S HN 0.316 nan 8.310 nan 0.000 0.477 545 E N -0.415 119.824 120.200 0.065 0.000 2.122 545 E HA 0.025 4.375 4.350 0.001 0.000 0.190 545 E C 2.081 178.763 176.600 0.137 0.000 0.977 545 E CA 0.699 57.180 56.400 0.135 0.000 0.820 545 E CB -0.030 29.756 29.700 0.142 0.000 0.770 545 E HN 0.435 nan 8.360 nan 0.000 0.462 546 M N 0.668 120.306 119.600 0.064 0.000 2.200 546 M HA -0.103 4.377 4.480 0.001 0.000 0.265 546 M C 2.162 178.438 176.300 -0.040 0.000 1.066 546 M CA 1.283 56.588 55.300 0.007 0.000 1.127 546 M CB -0.646 31.971 32.600 0.028 0.000 1.379 546 M HN -0.048 nan 8.290 nan 0.000 0.420 547 K N 0.602 120.989 120.400 -0.022 0.000 2.063 547 K HA -0.217 4.103 4.320 0.001 0.000 0.208 547 K C 1.934 178.510 176.600 -0.040 0.000 1.048 547 K CA 1.704 57.973 56.287 -0.031 0.000 0.928 547 K CB -0.037 32.447 32.500 -0.027 0.000 0.713 547 K HN 0.355 nan 8.250 nan 0.000 0.442 548 E N 0.326 120.515 120.200 -0.018 0.000 2.106 548 E HA -0.192 4.158 4.350 0.001 0.000 0.192 548 E C 2.037 178.542 176.600 -0.159 0.000 0.984 548 E CA 0.832 57.226 56.400 -0.010 0.000 0.806 548 E CB -0.049 29.722 29.700 0.118 0.000 0.750 548 E HN 0.301 nan 8.360 nan 0.000 0.458 549 L N 0.543 121.538 121.223 -0.380 0.000 2.046 549 L HA -0.130 4.210 4.340 0.001 0.000 0.208 549 L C 2.156 178.827 176.870 -0.332 0.000 1.077 549 L CA 1.877 56.285 54.840 -0.720 0.000 0.747 549 L CB -0.413 41.177 42.059 -0.781 0.000 0.896 549 L HN -0.022 nan 8.230 nan 0.000 0.432 550 S N -0.414 115.172 115.700 -0.190 0.000 2.402 550 S HA -0.133 4.337 4.470 0.001 0.000 0.229 550 S C 1.707 176.259 174.600 -0.081 0.000 1.021 550 S CA 1.292 59.427 58.200 -0.108 0.000 0.974 550 S CB -0.329 62.834 63.200 -0.063 0.000 0.800 550 S HN 0.590 nan 8.310 nan 0.000 0.484 551 E N 1.081 121.237 120.200 -0.073 0.000 2.106 551 E HA -0.082 4.268 4.350 0.001 0.000 0.192 551 E C 2.284 178.858 176.600 -0.043 0.000 0.984 551 E CA 0.747 57.121 56.400 -0.044 0.000 0.806 551 E CB -0.093 29.592 29.700 -0.026 0.000 0.750 551 E HN 0.393 nan 8.360 nan 0.000 0.458 552 R N 0.533 120.995 120.500 -0.063 0.000 2.093 552 R HA 0.031 4.372 4.340 0.001 0.000 0.224 552 R C 2.414 178.685 176.300 -0.049 0.000 1.101 552 R CA 0.852 56.925 56.100 -0.045 0.000 0.979 552 R CB -0.216 30.059 30.300 -0.041 0.000 0.877 552 R HN 0.084 nan 8.270 nan 0.000 0.441 553 A N 1.247 124.020 122.820 -0.078 0.000 1.883 553 A HA -0.150 4.170 4.320 0.001 0.000 0.217 553 A C 2.160 179.724 177.584 -0.034 0.000 1.186 553 A CA 1.881 53.883 52.037 -0.059 0.000 0.624 553 A CB -0.736 18.221 19.000 -0.073 0.000 0.822 553 A HN 0.260 nan 8.150 nan 0.000 0.444 554 V N -3.003 116.890 119.914 -0.036 0.000 3.541 554 V HA -0.007 4.113 4.120 0.001 0.000 0.272 554 V C 1.228 177.310 176.094 -0.021 0.000 1.215 554 V CA 1.633 63.916 62.300 -0.028 0.000 1.176 554 V CB -0.855 30.949 31.823 -0.031 0.000 0.854 554 V HN 0.610 nan 8.190 nan 0.000 0.496 555 Q N -0.940 118.850 119.800 -0.018 0.000 2.217 555 Q HA 0.286 4.626 4.340 0.001 0.000 0.217 555 Q C 0.800 176.797 176.000 -0.005 0.000 0.844 555 Q CA -0.159 55.638 55.803 -0.010 0.000 0.957 555 Q CB 1.014 29.748 28.738 -0.008 0.000 1.127 555 Q HN 0.720 nan 8.270 nan 0.000 0.503 556 C N -0.471 118.825 119.300 -0.006 0.000 2.560 556 C HA 0.428 4.888 4.460 0.001 0.000 0.334 556 C C 1.721 176.712 174.990 0.003 0.000 1.404 556 C CA 0.129 59.148 59.018 0.001 0.000 2.410 556 C CB 0.876 28.618 27.740 0.003 0.000 2.268 556 C HN 0.563 nan 8.230 nan 0.000 0.673 557 A N -0.386 122.439 122.820 0.008 0.000 2.074 557 A HA 0.325 4.646 4.320 0.001 0.000 0.200 557 A C 0.763 178.355 177.584 0.015 0.000 1.335 557 A CA 0.814 52.856 52.037 0.009 0.000 0.922 557 A CB -0.263 18.744 19.000 0.011 0.000 0.972 557 A HN 0.905 nan 8.150 nan 0.000 0.475 558 T N -3.920 110.647 114.554 0.021 0.000 2.930 558 T HA 0.491 4.842 4.350 0.001 0.000 0.290 558 T C 0.871 175.596 174.700 0.042 0.000 1.052 558 T CA 0.307 62.425 62.100 0.031 0.000 1.017 558 T CB 1.507 70.396 68.868 0.035 0.000 1.137 558 T HN 0.100 nan 8.240 nan 0.000 0.511 559 S N -0.360 115.375 115.700 0.059 0.000 2.368 559 S HA -0.159 4.311 4.470 0.001 0.000 0.224 559 S C 1.778 176.433 174.600 0.091 0.000 1.029 559 S CA 1.876 60.134 58.200 0.097 0.000 0.988 559 S CB -0.738 62.533 63.200 0.119 0.000 0.838 559 S HN 0.857 nan 8.310 nan 0.000 0.462 560 E N 0.475 120.718 120.200 0.071 0.000 2.118 560 E HA -0.207 4.144 4.350 0.001 0.000 0.195 560 E C 1.891 178.509 176.600 0.031 0.000 0.992 560 E CA 1.559 57.990 56.400 0.052 0.000 0.804 560 E CB -0.191 29.536 29.700 0.046 0.000 0.741 560 E HN 0.705 nan 8.360 nan 0.000 0.458 561 E N -0.187 120.030 120.200 0.029 0.000 2.150 561 E HA -0.145 4.206 4.350 0.001 0.000 0.193 561 E C 2.197 178.803 176.600 0.010 0.000 0.985 561 E CA 1.091 57.503 56.400 0.020 0.000 0.814 561 E CB 0.158 29.869 29.700 0.019 0.000 0.752 561 E HN 0.179 nan 8.360 nan 0.000 0.466 562 V N 0.949 120.871 119.914 0.013 0.000 2.358 562 V HA -0.212 3.909 4.120 0.001 0.000 0.246 562 V C 2.342 178.407 176.094 -0.048 0.000 1.047 562 V CA 1.169 63.465 62.300 -0.006 0.000 1.035 562 V CB -0.244 31.598 31.823 0.032 0.000 0.658 562 V HN 0.117 nan 8.190 nan 0.000 0.452 563 V N 0.296 120.176 119.914 -0.058 0.000 2.255 563 V HA -0.292 3.829 4.120 0.001 0.000 0.247 563 V C 2.325 178.380 176.094 -0.066 0.000 1.051 563 V CA 2.328 64.552 62.300 -0.126 0.000 1.018 563 V CB -0.798 30.964 31.823 -0.102 0.000 0.641 563 V HN 0.548 nan 8.190 nan 0.000 0.445 564 D N 0.053 120.440 120.400 -0.022 0.000 2.172 564 D HA -0.180 4.460 4.640 0.001 0.000 0.196 564 D C 2.070 178.385 176.300 0.024 0.000 0.999 564 D CA 1.303 55.305 54.000 0.002 0.000 0.856 564 D CB -0.292 40.517 40.800 0.014 0.000 0.934 564 D HN 0.358 nan 8.370 nan 0.000 0.453 565 L N 0.129 121.364 121.223 0.020 0.000 2.201 565 L HA -0.101 4.240 4.340 0.001 0.000 0.212 565 L C 2.378 179.288 176.870 0.066 0.000 1.105 565 L CA 0.400 55.275 54.840 0.057 0.000 0.775 565 L CB -0.064 41.987 42.059 -0.013 0.000 0.913 565 L HN -0.036 nan 8.230 nan 0.000 0.440 566 V N -0.406 119.501 119.914 -0.011 0.000 2.488 566 V HA -0.180 3.940 4.120 0.001 0.000 0.246 566 V C 2.182 178.293 176.094 0.028 0.000 1.046 566 V CA 1.355 63.644 62.300 -0.018 0.000 1.053 566 V CB -0.304 31.459 31.823 -0.099 0.000 0.679 566 V HN 0.436 nan 8.190 nan 0.000 0.458 567 E N -0.041 120.164 120.200 0.009 0.000 2.268 567 E HA -0.241 4.109 4.350 0.001 0.000 0.195 567 E C 2.104 178.730 176.600 0.043 0.000 0.995 567 E CA 1.111 57.519 56.400 0.013 0.000 0.836 567 E CB 0.055 29.753 29.700 -0.003 0.000 0.763 567 E HN 0.724 nan 8.360 nan 0.000 0.491 568 E N 0.279 120.531 120.200 0.086 0.000 2.028 568 E HA -0.159 4.191 4.350 0.001 0.000 0.190 568 E C 1.225 177.875 176.600 0.083 0.000 0.984 568 E CA 0.753 57.204 56.400 0.085 0.000 0.800 568 E CB -0.023 29.755 29.700 0.131 0.000 0.758 568 E HN 0.240 nan 8.360 nan 0.000 0.448 569 Y N 0.574 120.864 120.300 -0.016 0.000 2.632 569 Y HA 0.008 4.558 4.550 0.000 0.000 0.301 569 Y C 1.254 177.146 175.900 -0.013 0.000 1.172 569 Y CA 1.294 59.387 58.100 -0.012 0.000 1.328 569 Y CB 0.414 38.868 38.460 -0.010 0.000 1.016 569 Y HN 0.130 nan 8.280 nan 0.000 0.529 570 T N -2.456 112.168 114.554 0.115 0.000 3.448 570 T HA 0.247 4.597 4.350 0.001 0.000 0.271 570 T C 0.091 174.806 174.700 0.025 0.000 1.002 570 T CA -0.892 61.242 62.100 0.058 0.000 0.995 570 T CB -0.393 68.501 68.868 0.043 0.000 1.153 570 T HN 0.172 nan 8.240 nan 0.000 0.510 571 K N 0.000 120.407 120.400 0.011 0.000 2.780 571 K HA 0.000 4.320 4.320 0.001 0.000 0.191 571 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 571 K CB 0.000 32.489 32.500 -0.017 0.000 1.064 571 K HN 0.000 nan 8.250 nan 0.000 0.543