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 2oes_1_A DATA FIRST_RESID 4 DATA SEQUENCE QAPDREKALE LAMAQIDKNF GKGSVMRLGE EVRQPISVIP TGSISLDVAL DATA SEQUENCE GIGGLPRGRV IEIYGPESSG KTTVALHAVA NAQAAGGIAA FIDAEHALDP DATA SEQUENCE EYAKKLGVDT DSLLVSQPDT GEQALEIADM LVRSGALDII VIDSVAALVP DATA SEQUENCE RAEIEGEMGX SHVGLQARLM SQALRKMTGA LNNSGTTAIF INQLREKIXX DATA SEQUENCE XXXXXETTTG GKALKFYASV RLDVRRIETL KDGTDAVGNR TRVKVVKNKV DATA SEQUENCE SPPFKQAEFD ILYGQGISRE GSLIDMGVEH GFIRKSGSWF TYEGEQLGQG DATA SEQUENCE KENARKFLLE NTDVANEIEK KIKEKLG 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 0.000 176.002 176.000 0.004 0.000 1.003 4 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 4 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 5 A N 1.364 124.186 122.820 0.004 0.000 2.316 5 A HA 0.690 5.010 4.320 -0.000 0.000 0.311 5 A C -1.958 175.629 177.584 0.004 0.000 1.339 5 A CA -0.805 51.235 52.037 0.004 0.000 0.960 5 A CB -0.367 18.635 19.000 0.003 0.000 1.152 5 A HN 0.713 nan 8.150 nan 0.000 0.547 6 P HA -0.212 nan 4.420 nan 0.000 0.015 6 P C -0.212 177.091 177.300 0.005 0.000 0.558 6 P CA 1.842 64.945 63.100 0.005 0.000 1.033 6 P CB -0.013 31.690 31.700 0.006 0.000 1.902 7 D N -1.277 119.126 120.400 0.005 0.000 3.099 7 D HA 0.056 4.696 4.640 -0.000 0.000 0.291 7 D C 1.759 178.062 176.300 0.006 0.000 1.209 7 D CA 0.196 54.199 54.000 0.005 0.000 1.032 7 D CB 0.204 41.006 40.800 0.004 0.000 1.324 7 D HN -0.129 nan 8.370 nan 0.000 0.440 8 R N 1.087 121.590 120.500 0.006 0.000 2.235 8 R HA -0.165 4.175 4.340 -0.000 0.000 0.222 8 R C 1.935 178.240 176.300 0.008 0.000 1.095 8 R CA 1.478 57.582 56.100 0.007 0.000 0.863 8 R CB -1.000 29.304 30.300 0.007 0.000 0.824 8 R HN 0.323 nan 8.270 nan 0.000 0.432 9 E N 0.581 120.786 120.200 0.009 0.000 2.169 9 E HA -0.230 4.120 4.350 -0.000 0.000 0.202 9 E C 2.192 178.798 176.600 0.010 0.000 1.016 9 E CA 2.273 58.679 56.400 0.010 0.000 0.817 9 E CB -0.243 29.463 29.700 0.009 0.000 0.736 9 E HN 0.515 nan 8.360 nan 0.000 0.462 10 K N 0.236 120.641 120.400 0.008 0.000 2.365 10 K HA 0.172 4.492 4.320 -0.000 0.000 0.199 10 K C 1.809 178.414 176.600 0.008 0.000 1.045 10 K CA 1.321 57.612 56.287 0.008 0.000 0.962 10 K CB -0.164 32.340 32.500 0.006 0.000 0.759 10 K HN 0.204 nan 8.250 nan 0.000 0.469 11 A N -0.577 122.248 122.820 0.008 0.000 2.431 11 A HA 0.451 4.771 4.320 -0.000 0.000 0.239 11 A C 1.852 179.442 177.584 0.011 0.000 1.230 11 A CA 0.368 52.411 52.037 0.009 0.000 0.928 11 A CB 0.018 19.023 19.000 0.007 0.000 1.006 11 A HN 0.364 nan 8.150 nan 0.000 0.520 12 L N 0.052 121.283 121.223 0.013 0.000 2.131 12 L HA 0.034 4.374 4.340 -0.000 0.000 0.206 12 L C 2.025 178.906 176.870 0.018 0.000 1.087 12 L CA 2.439 57.289 54.840 0.016 0.000 0.767 12 L CB -0.287 41.782 42.059 0.016 0.000 0.917 12 L HN 0.535 nan 8.230 nan 0.000 0.441 13 E N -0.361 119.849 120.200 0.015 0.000 2.077 13 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 13 E C 2.175 178.784 176.600 0.013 0.000 0.989 13 E CA 1.557 57.966 56.400 0.015 0.000 0.800 13 E CB -0.162 29.545 29.700 0.013 0.000 0.746 13 E HN 0.598 nan 8.360 nan 0.000 0.452 14 L N 0.490 121.719 121.223 0.011 0.000 1.994 14 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 14 L C 2.755 179.630 176.870 0.009 0.000 1.071 14 L CA 1.182 56.026 54.840 0.008 0.000 0.745 14 L CB -0.659 41.404 42.059 0.005 0.000 0.892 14 L HN 0.202 nan 8.230 nan 0.000 0.431 15 A N -0.094 122.734 122.820 0.013 0.000 1.834 15 A HA -0.319 4.001 4.320 -0.000 0.000 0.216 15 A C 2.334 179.934 177.584 0.026 0.000 1.203 15 A CA 2.243 54.291 52.037 0.019 0.000 0.621 15 A CB -0.802 18.212 19.000 0.022 0.000 0.841 15 A HN 0.358 nan 8.150 nan 0.000 0.446 16 M N -0.688 118.930 119.600 0.030 0.000 2.103 16 M HA -0.291 4.189 4.480 -0.000 0.000 0.255 16 M C 2.370 178.691 176.300 0.035 0.000 1.074 16 M CA 1.969 57.292 55.300 0.038 0.000 1.090 16 M CB -0.351 32.269 32.600 0.033 0.000 1.325 16 M HN 0.529 nan 8.290 nan 0.000 0.403 17 A N -0.337 122.497 122.820 0.023 0.000 1.873 17 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 17 A C 1.858 179.447 177.584 0.009 0.000 1.193 17 A CA 2.134 54.181 52.037 0.016 0.000 0.629 17 A CB -0.924 18.082 19.000 0.010 0.000 0.826 17 A HN 0.692 nan 8.150 nan 0.000 0.447 18 Q N -0.640 119.161 119.800 0.000 0.000 2.170 18 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 18 Q C 2.022 178.003 176.000 -0.033 0.000 0.976 18 Q CA 1.334 57.122 55.803 -0.024 0.000 0.858 18 Q CB -0.348 28.372 28.738 -0.030 0.000 0.907 18 Q HN 0.786 nan 8.270 nan 0.000 0.433 19 I N 0.805 121.388 120.570 0.021 0.000 2.142 19 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 19 I C 1.588 177.762 176.117 0.095 0.000 1.078 19 I CA 1.223 62.580 61.300 0.095 0.000 1.343 19 I CB -0.352 37.737 38.000 0.149 0.000 1.046 19 I HN 0.131 nan 8.210 nan 0.000 0.405 20 D N 1.213 121.654 120.400 0.068 0.000 2.123 20 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 20 D C 2.409 178.725 176.300 0.027 0.000 0.992 20 D CA 2.153 56.189 54.000 0.060 0.000 0.833 20 D CB -0.220 40.605 40.800 0.042 0.000 0.954 20 D HN 0.324 nan 8.370 nan 0.000 0.455 21 K N 0.974 121.368 120.400 -0.011 0.000 1.973 21 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 21 K C 1.985 178.528 176.600 -0.094 0.000 1.047 21 K CA 1.572 57.834 56.287 -0.041 0.000 0.937 21 K CB -1.247 31.224 32.500 -0.049 0.000 0.721 21 K HN 0.085 nan 8.250 nan 0.000 0.440 22 N N -0.528 118.056 118.700 -0.193 0.000 2.104 22 N HA -0.056 4.684 4.740 -0.000 0.000 0.190 22 N C 0.881 176.089 175.510 -0.503 0.000 1.024 22 N CA 1.602 54.394 53.050 -0.430 0.000 0.853 22 N CB -0.136 37.931 38.487 -0.701 0.000 1.008 22 N HN 0.456 nan 8.380 nan 0.000 0.424 23 F N -0.367 119.578 119.950 -0.008 0.000 2.698 23 F HA 0.428 4.955 4.527 -0.000 0.000 0.304 23 F C 1.208 177.003 175.800 -0.008 0.000 1.108 23 F CA -0.022 57.971 58.000 -0.013 0.000 1.263 23 F CB 0.296 39.286 39.000 -0.017 0.000 1.013 23 F HN -0.038 nan 8.300 nan 0.000 0.532 24 G N 0.416 109.292 108.800 0.126 0.000 2.712 24 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.683 24 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.683 24 G C 0.365 175.315 174.900 0.084 0.000 1.320 24 G CA -0.407 44.746 45.100 0.087 0.000 0.847 24 G HN 0.068 nan 8.290 nan 0.000 0.553 25 K N 0.416 120.851 120.400 0.058 0.000 1.963 25 K HA 0.088 4.408 4.320 -0.000 0.000 0.216 25 K C 2.959 179.591 176.600 0.054 0.000 1.045 25 K CA 2.665 58.983 56.287 0.050 0.000 0.954 25 K CB -1.246 31.276 32.500 0.037 0.000 0.732 25 K HN 1.362 nan 8.250 nan 0.000 0.442 26 G N 0.208 109.035 108.800 0.045 0.000 2.743 26 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.222 26 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.222 26 G C 1.396 176.320 174.900 0.041 0.000 1.085 26 G CA 1.528 46.651 45.100 0.038 0.000 0.716 26 G HN 0.332 nan 8.290 nan 0.000 0.604 27 S N -0.965 114.770 115.700 0.058 0.000 2.368 27 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 27 S C 0.962 175.591 174.600 0.049 0.000 1.044 27 S CA 1.291 59.525 58.200 0.056 0.000 1.062 27 S CB -0.162 63.116 63.200 0.129 0.000 0.931 27 S HN 0.286 nan 8.310 nan 0.000 0.440 28 V N 1.096 121.046 119.914 0.060 0.000 2.588 28 V HA 0.630 4.750 4.120 -0.000 0.000 0.304 28 V C -0.421 175.704 176.094 0.051 0.000 1.042 28 V CA -0.492 61.841 62.300 0.055 0.000 0.877 28 V CB 1.561 33.418 31.823 0.057 0.000 0.996 28 V HN 0.263 nan 8.190 nan 0.000 0.425 29 M N 3.206 122.839 119.600 0.054 0.000 2.716 29 M HA 0.646 5.126 4.480 -0.000 0.000 0.278 29 M C -0.973 175.361 176.300 0.057 0.000 1.281 29 M CA -0.829 54.503 55.300 0.054 0.000 0.814 29 M CB 3.210 35.844 32.600 0.056 0.000 1.719 29 M HN 0.491 nan 8.290 nan 0.000 0.457 30 R N 1.080 121.612 120.500 0.054 0.000 2.494 30 R HA 0.465 4.805 4.340 -0.000 0.000 0.305 30 R C 0.456 176.794 176.300 0.063 0.000 0.959 30 R CA -0.465 55.666 56.100 0.052 0.000 0.864 30 R CB 1.550 31.874 30.300 0.040 0.000 1.159 30 R HN 0.714 nan 8.270 nan 0.000 0.446 31 L N 1.296 122.562 121.223 0.072 0.000 2.349 31 L HA -0.144 4.196 4.340 -0.000 0.000 0.220 31 L C 1.885 178.796 176.870 0.068 0.000 1.130 31 L CA 1.647 56.541 54.840 0.090 0.000 0.791 31 L CB -0.241 41.870 42.059 0.087 0.000 0.918 31 L HN 0.853 nan 8.230 nan 0.000 0.444 32 G N -1.495 107.336 108.800 0.051 0.000 2.796 32 G HA2 0.009 3.969 3.960 -0.000 0.000 0.210 32 G HA3 0.009 3.969 3.960 -0.000 0.000 0.210 32 G C 0.673 175.597 174.900 0.040 0.000 1.146 32 G CA -0.306 44.820 45.100 0.043 0.000 0.779 32 G HN 0.206 nan 8.290 nan 0.000 0.535 33 E N 0.477 120.701 120.200 0.040 0.000 2.392 33 E HA 0.116 4.466 4.350 -0.000 0.000 0.259 33 E C 0.379 177.002 176.600 0.038 0.000 1.108 33 E CA -0.022 56.399 56.400 0.036 0.000 0.916 33 E CB 0.803 30.523 29.700 0.033 0.000 0.989 33 E HN 0.309 nan 8.360 nan 0.000 0.432 34 E N 0.487 120.707 120.200 0.035 0.000 2.452 34 E HA 0.026 4.376 4.350 -0.000 0.000 0.197 34 E C 0.686 177.306 176.600 0.032 0.000 1.022 34 E CA -0.128 56.293 56.400 0.035 0.000 0.890 34 E CB 0.487 30.208 29.700 0.035 0.000 0.918 34 E HN 0.205 nan 8.360 nan 0.000 0.496 35 V N 2.304 122.236 119.914 0.030 0.000 3.031 35 V HA -0.315 3.805 4.120 -0.000 0.000 0.234 35 V C 0.719 176.828 176.094 0.026 0.000 1.899 35 V CA 1.806 64.122 62.300 0.027 0.000 1.698 35 V CB -0.197 31.643 31.823 0.028 0.000 0.945 35 V HN 0.570 nan 8.190 nan 0.000 0.531 36 R N 2.022 122.535 120.500 0.023 0.000 3.724 36 R HA -0.208 4.132 4.340 -0.000 0.000 0.538 36 R C -0.351 175.961 176.300 0.020 0.000 0.241 36 R CA 1.288 57.401 56.100 0.021 0.000 1.673 36 R CB -0.497 29.816 30.300 0.022 0.000 1.001 36 R HN 1.106 nan 8.270 nan 0.000 0.567 37 Q N -0.588 119.223 119.800 0.018 0.000 3.524 37 Q HA 0.155 4.495 4.340 -0.000 0.000 0.155 37 Q C -2.708 173.300 176.000 0.013 0.000 0.900 37 Q CA -0.426 55.387 55.803 0.015 0.000 1.374 37 Q CB 0.334 29.082 28.738 0.015 0.000 1.312 37 Q HN 0.487 nan 8.270 nan 0.000 0.656 38 P HA 0.440 nan 4.420 nan 0.000 0.282 38 P C 0.625 177.929 177.300 0.008 0.000 1.249 38 P CA -0.103 63.003 63.100 0.011 0.000 0.806 38 P CB 0.848 32.556 31.700 0.013 0.000 0.984 39 I N 0.293 120.866 120.570 0.007 0.000 3.620 39 I HA 0.026 4.196 4.170 -0.000 0.000 0.305 39 I C 1.079 177.197 176.117 0.002 0.000 1.243 39 I CA 0.315 61.617 61.300 0.004 0.000 1.196 39 I CB -1.682 36.320 38.000 0.003 0.000 1.004 39 I HN 0.540 nan 8.210 nan 0.000 0.487 40 S N -0.784 114.918 115.700 0.004 0.000 2.568 40 S HA 0.898 5.368 4.470 -0.000 0.000 0.302 40 S C -0.745 173.858 174.600 0.004 0.000 1.082 40 S CA -0.689 57.514 58.200 0.004 0.000 1.009 40 S CB 2.095 65.300 63.200 0.008 0.000 1.069 40 S HN 1.385 nan 8.310 nan 0.000 0.500 41 V N 1.998 121.913 119.914 0.002 0.000 2.540 41 V HA 0.115 4.235 4.120 -0.000 0.000 0.254 41 V C -1.633 174.457 176.094 -0.006 0.000 1.822 41 V CA -0.504 61.797 62.300 0.000 0.000 0.780 41 V CB 0.724 32.546 31.823 -0.002 0.000 1.333 41 V HN 1.019 nan 8.190 nan 0.000 0.471 42 I N 6.863 127.430 120.570 -0.004 0.000 2.331 42 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 42 I C -2.337 173.768 176.117 -0.020 0.000 0.998 42 I CA -2.003 59.290 61.300 -0.011 0.000 1.267 42 I CB 2.122 40.120 38.000 -0.004 0.000 1.386 42 I HN 0.386 nan 8.210 nan 0.000 0.476 43 P HA 0.029 nan 4.420 nan 0.000 0.270 43 P C 0.982 178.239 177.300 -0.071 0.000 1.242 43 P CA -0.146 62.920 63.100 -0.056 0.000 0.768 43 P CB 0.628 32.286 31.700 -0.070 0.000 0.820 44 T N 0.624 115.133 114.554 -0.075 0.000 2.977 44 T HA -0.018 4.332 4.350 -0.000 0.000 0.271 44 T C 1.364 175.949 174.700 -0.192 0.000 1.105 44 T CA 1.045 63.090 62.100 -0.093 0.000 1.116 44 T CB -1.021 67.799 68.868 -0.080 0.000 0.878 44 T HN 0.623 nan 8.240 nan 0.000 0.509 45 G N -0.256 108.412 108.800 -0.219 0.000 2.131 45 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.223 45 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.223 45 G C 0.075 174.755 174.900 -0.367 0.000 0.990 45 G CA 0.187 45.081 45.100 -0.344 0.000 0.671 45 G HN 1.205 nan 8.290 nan 0.000 0.521 46 S N -0.422 115.123 115.700 -0.258 0.000 2.571 46 S HA 0.466 4.936 4.470 -0.000 0.000 0.238 46 S C 1.126 175.665 174.600 -0.102 0.000 1.153 46 S CA 0.190 58.269 58.200 -0.202 0.000 1.141 46 S CB 0.550 63.608 63.200 -0.237 0.000 1.133 46 S HN 1.068 nan 8.310 nan 0.000 0.464 47 I N 4.659 125.168 120.570 -0.103 0.000 2.290 47 I HA -0.136 4.034 4.170 -0.000 0.000 0.253 47 I C 2.244 178.330 176.117 -0.050 0.000 1.112 47 I CA 2.146 63.394 61.300 -0.086 0.000 1.377 47 I CB -0.439 37.494 38.000 -0.112 0.000 1.060 47 I HN 0.707 nan 8.210 nan 0.000 0.428 48 S N -0.242 115.447 115.700 -0.018 0.000 2.344 48 S HA -0.178 4.292 4.470 -0.000 0.000 0.217 48 S C 1.981 176.613 174.600 0.054 0.000 1.033 48 S CA 1.679 59.896 58.200 0.028 0.000 1.017 48 S CB -0.724 62.525 63.200 0.083 0.000 0.941 48 S HN 0.482 nan 8.310 nan 0.000 0.430 49 L N 2.430 123.712 121.223 0.098 0.000 2.081 49 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 49 L C 1.749 178.643 176.870 0.039 0.000 1.080 49 L CA 2.143 57.044 54.840 0.101 0.000 0.754 49 L CB -1.328 40.814 42.059 0.138 0.000 0.893 49 L HN 0.295 nan 8.230 nan 0.000 0.433 50 D N -0.293 120.110 120.400 0.005 0.000 2.077 50 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 50 D C 2.265 178.567 176.300 0.003 0.000 0.989 50 D CA 2.284 56.279 54.000 -0.008 0.000 0.831 50 D CB -0.670 40.110 40.800 -0.033 0.000 0.979 50 D HN 0.423 nan 8.370 nan 0.000 0.449 51 V N -0.158 119.756 119.914 -0.000 0.000 2.660 51 V HA -0.146 3.974 4.120 -0.000 0.000 0.257 51 V C 2.157 178.271 176.094 0.032 0.000 1.088 51 V CA 1.962 64.270 62.300 0.014 0.000 1.106 51 V CB -1.047 30.780 31.823 0.008 0.000 0.686 51 V HN 0.141 nan 8.190 nan 0.000 0.481 52 A N 0.273 123.114 122.820 0.034 0.000 2.016 52 A HA 0.253 4.573 4.320 -0.000 0.000 0.217 52 A C 2.086 179.688 177.584 0.031 0.000 1.162 52 A CA 1.332 53.393 52.037 0.041 0.000 0.662 52 A CB -0.460 18.568 19.000 0.046 0.000 0.812 52 A HN 0.582 nan 8.150 nan 0.000 0.450 53 L N -1.237 120.000 121.223 0.023 0.000 2.599 53 L HA 0.151 4.491 4.340 -0.000 0.000 0.230 53 L C 2.061 178.941 176.870 0.016 0.000 1.141 53 L CA 0.530 55.379 54.840 0.015 0.000 0.877 53 L CB -0.306 41.760 42.059 0.013 0.000 1.009 53 L HN 0.585 nan 8.230 nan 0.000 0.447 54 G N 1.869 110.682 108.800 0.022 0.000 4.148 54 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.221 54 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.221 54 G C 0.993 175.905 174.900 0.019 0.000 1.373 54 G CA 0.644 45.759 45.100 0.025 0.000 0.940 54 G HN 0.468 nan 8.290 nan 0.000 0.610 55 I N -0.142 120.437 120.570 0.015 0.000 3.176 55 I HA 0.440 4.610 4.170 -0.000 0.000 0.275 55 I C 1.946 178.066 176.117 0.005 0.000 1.298 55 I CA 1.221 62.528 61.300 0.011 0.000 1.445 55 I CB -0.388 37.619 38.000 0.012 0.000 1.075 55 I HN 1.736 nan 8.210 nan 0.000 0.482 56 G N 0.545 109.346 108.800 0.002 0.000 2.176 56 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.232 56 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.232 56 G C 0.338 175.229 174.900 -0.015 0.000 0.986 56 G CA -0.300 44.795 45.100 -0.009 0.000 0.643 56 G HN 1.229 nan 8.290 nan 0.000 0.522 57 G N -1.268 107.528 108.800 -0.007 0.000 2.320 57 G HA2 0.538 4.498 3.960 -0.000 0.000 0.296 57 G HA3 0.538 4.498 3.960 -0.000 0.000 0.296 57 G C -0.700 174.201 174.900 0.002 0.000 1.306 57 G CA -0.519 44.576 45.100 -0.009 0.000 0.836 57 G HN 0.891 nan 8.290 nan 0.000 0.517 58 L N 2.123 123.349 121.223 0.005 0.000 2.477 58 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 58 L C -1.697 175.183 176.870 0.017 0.000 1.157 58 L CA -1.318 53.532 54.840 0.016 0.000 0.889 58 L CB 0.547 42.620 42.059 0.022 0.000 1.158 58 L HN 0.289 nan 8.230 nan 0.000 0.473 59 P HA 0.074 nan 4.420 nan 0.000 0.265 59 P C -0.582 176.734 177.300 0.026 0.000 1.222 59 P CA -0.117 62.996 63.100 0.022 0.000 0.767 59 P CB 0.437 32.152 31.700 0.024 0.000 0.801 60 R N 2.278 122.791 120.500 0.021 0.000 2.734 60 R HA 0.346 4.686 4.340 -0.000 0.000 0.266 60 R C 1.675 177.992 176.300 0.028 0.000 1.044 60 R CA 0.735 56.848 56.100 0.023 0.000 1.128 60 R CB -0.375 29.934 30.300 0.016 0.000 1.010 60 R HN 0.753 nan 8.270 nan 0.000 0.461 61 G N 0.641 109.461 108.800 0.032 0.000 2.363 61 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.238 61 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.238 61 G C 0.317 175.248 174.900 0.051 0.000 1.062 61 G CA -0.130 44.993 45.100 0.037 0.000 0.629 61 G HN 0.480 nan 8.290 nan 0.000 0.514 62 R N 0.085 120.617 120.500 0.054 0.000 2.541 62 R HA 0.624 4.964 4.340 -0.000 0.000 0.263 62 R C -0.001 176.352 176.300 0.089 0.000 1.112 62 R CA 0.081 56.222 56.100 0.068 0.000 1.170 62 R CB 1.410 31.744 30.300 0.057 0.000 1.167 62 R HN 0.647 nan 8.270 nan 0.000 0.582 63 V N 1.695 121.678 119.914 0.115 0.000 2.435 63 V HA 0.465 4.585 4.120 -0.000 0.000 0.290 63 V C -0.690 175.500 176.094 0.160 0.000 1.030 63 V CA -0.619 61.779 62.300 0.165 0.000 0.881 63 V CB 1.286 33.239 31.823 0.218 0.000 0.983 63 V HN 0.471 nan 8.190 nan 0.000 0.445 64 I N 5.639 126.324 120.570 0.191 0.000 2.474 64 I HA 0.540 4.710 4.170 -0.000 0.000 0.294 64 I C -0.128 176.134 176.117 0.241 0.000 1.005 64 I CA -0.071 61.328 61.300 0.165 0.000 1.113 64 I CB 1.853 39.918 38.000 0.109 0.000 1.289 64 I HN 0.765 nan 8.210 nan 0.000 0.436 65 E N 7.006 127.312 120.200 0.177 0.000 2.165 65 E HA 0.531 4.881 4.350 -0.000 0.000 0.266 65 E C -1.411 175.291 176.600 0.171 0.000 0.889 65 E CA -0.533 55.983 56.400 0.194 0.000 0.756 65 E CB 1.229 30.997 29.700 0.114 0.000 1.131 65 E HN 0.521 nan 8.360 nan 0.000 0.411 66 I N 6.374 127.044 120.570 0.166 0.000 2.359 66 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 66 I C -0.667 175.533 176.117 0.138 0.000 1.018 66 I CA -0.898 60.461 61.300 0.098 0.000 1.173 66 I CB 0.293 38.342 38.000 0.082 0.000 1.326 66 I HN 0.467 nan 8.210 nan 0.000 0.462 67 Y N 4.328 124.652 120.300 0.039 0.000 2.567 67 Y HA 0.998 5.548 4.550 -0.000 0.000 0.333 67 Y C 0.081 175.999 175.900 0.030 0.000 1.106 67 Y CA -1.176 56.941 58.100 0.029 0.000 1.157 67 Y CB 1.934 40.397 38.460 0.005 0.000 1.277 67 Y HN 0.606 nan 8.280 nan 0.000 0.490 68 G N 1.068 109.984 108.800 0.193 0.000 2.358 68 G HA2 0.348 4.308 3.960 -0.000 0.000 0.303 68 G HA3 0.348 4.308 3.960 -0.000 0.000 0.303 68 G C -3.530 171.428 174.900 0.096 0.000 1.537 68 G CA -1.368 43.789 45.100 0.095 0.000 0.928 68 G HN 0.510 nan 8.290 nan 0.000 0.656 69 P HA 0.130 nan 4.420 nan 0.000 0.269 69 P C 0.186 177.516 177.300 0.048 0.000 1.211 69 P CA 0.158 63.292 63.100 0.057 0.000 0.781 69 P CB 0.467 32.194 31.700 0.044 0.000 0.877 70 E N 0.835 121.059 120.200 0.040 0.000 2.414 70 E HA 0.038 4.388 4.350 -0.000 0.000 0.263 70 E C -0.025 176.596 176.600 0.034 0.000 1.000 70 E CA 0.571 56.992 56.400 0.035 0.000 0.914 70 E CB -0.143 29.572 29.700 0.025 0.000 0.948 70 E HN 0.362 nan 8.360 nan 0.000 0.444 71 S N 0.977 116.699 115.700 0.036 0.000 3.884 71 S HA -0.172 4.298 4.470 -0.000 0.000 0.374 71 S C 0.625 175.257 174.600 0.053 0.000 0.971 71 S CA 0.789 59.012 58.200 0.039 0.000 1.152 71 S CB -1.531 61.686 63.200 0.027 0.000 0.877 71 S HN 0.724 nan 8.310 nan 0.000 0.491 72 S N -0.692 115.045 115.700 0.061 0.000 2.619 72 S HA 0.564 5.034 4.470 -0.000 0.000 0.238 72 S C 1.418 176.074 174.600 0.093 0.000 1.068 72 S CA 0.967 59.204 58.200 0.061 0.000 0.926 72 S CB 1.158 64.382 63.200 0.040 0.000 0.864 72 S HN 1.844 nan 8.310 nan 0.000 0.493 73 G N 1.538 110.407 108.800 0.115 0.000 3.876 73 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.203 73 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.203 73 G C 0.690 175.685 174.900 0.158 0.000 1.162 73 G CA 0.232 45.435 45.100 0.170 0.000 0.903 73 G HN 0.391 nan 8.290 nan 0.000 0.390 74 K N 0.828 121.303 120.400 0.126 0.000 2.097 74 K HA -0.348 3.972 4.320 -0.000 0.000 0.217 74 K C 2.652 179.327 176.600 0.126 0.000 0.806 74 K CA 4.007 60.362 56.287 0.113 0.000 1.017 74 K CB -1.651 30.907 32.500 0.096 0.000 0.803 74 K HN 0.784 nan 8.250 nan 0.000 0.628 75 T N -1.166 113.468 114.554 0.134 0.000 2.592 75 T HA -0.305 4.045 4.350 -0.000 0.000 0.267 75 T C 1.999 176.781 174.700 0.137 0.000 1.060 75 T CA 2.586 64.781 62.100 0.158 0.000 1.167 75 T CB -1.593 67.378 68.868 0.172 0.000 0.863 75 T HN 0.385 nan 8.240 nan 0.000 0.431 76 T N 1.894 116.544 114.554 0.160 0.000 2.680 76 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 76 T C 2.099 176.822 174.700 0.039 0.000 1.033 76 T CA 1.659 63.826 62.100 0.111 0.000 1.152 76 T CB -0.937 68.051 68.868 0.201 0.000 0.859 76 T HN 0.341 nan 8.240 nan 0.000 0.452 77 V N 1.713 121.686 119.914 0.099 0.000 2.216 77 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 77 V C 2.922 179.065 176.094 0.081 0.000 1.044 77 V CA 1.814 64.162 62.300 0.081 0.000 0.995 77 V CB -1.432 30.442 31.823 0.085 0.000 0.633 77 V HN 0.566 nan 8.190 nan 0.000 0.446 78 A N -0.364 122.508 122.820 0.087 0.000 1.903 78 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 78 A C 2.263 179.896 177.584 0.081 0.000 1.191 78 A CA 2.239 54.331 52.037 0.092 0.000 0.638 78 A CB -0.754 18.318 19.000 0.120 0.000 0.823 78 A HN 0.504 nan 8.150 nan 0.000 0.451 79 L N -1.652 119.601 121.223 0.051 0.000 2.042 79 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 79 L C 2.759 179.580 176.870 -0.082 0.000 1.076 79 L CA 1.551 56.364 54.840 -0.046 0.000 0.749 79 L CB -0.670 41.306 42.059 -0.139 0.000 0.893 79 L HN 0.504 nan 8.230 nan 0.000 0.432 80 H N -0.446 118.576 119.070 -0.081 0.000 2.299 80 H HA -0.089 4.467 4.556 -0.000 0.000 0.302 80 H C 2.247 177.528 175.328 -0.079 0.000 1.078 80 H CA 1.450 57.431 56.048 -0.112 0.000 1.323 80 H CB -0.222 29.451 29.762 -0.149 0.000 1.381 80 H HN 0.329 nan 8.280 nan 0.000 0.498 81 A N 0.556 123.428 122.820 0.086 0.000 1.927 81 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 81 A C 2.896 180.496 177.584 0.026 0.000 1.185 81 A CA 2.058 54.117 52.037 0.037 0.000 0.639 81 A CB -1.005 18.017 19.000 0.037 0.000 0.820 81 A HN 0.237 nan 8.150 nan 0.000 0.451 82 V N -0.432 119.501 119.914 0.031 0.000 2.244 82 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 82 V C 3.068 179.162 176.094 0.001 0.000 1.042 82 V CA 1.958 64.271 62.300 0.021 0.000 1.006 82 V CB -1.374 30.466 31.823 0.028 0.000 0.641 82 V HN 0.668 nan 8.190 nan 0.000 0.446 83 A N 0.571 123.385 122.820 -0.010 0.000 1.954 83 A HA -0.352 3.968 4.320 -0.000 0.000 0.222 83 A C 2.034 179.610 177.584 -0.013 0.000 1.199 83 A CA 2.642 54.668 52.037 -0.018 0.000 0.657 83 A CB -0.833 18.163 19.000 -0.005 0.000 0.823 83 A HN 0.672 nan 8.150 nan 0.000 0.463 84 N N -0.118 118.578 118.700 -0.007 0.000 2.083 84 N HA -0.052 4.688 4.740 -0.000 0.000 0.190 84 N C 1.997 177.496 175.510 -0.018 0.000 1.047 84 N CA 1.563 54.601 53.050 -0.020 0.000 0.845 84 N CB -0.857 37.611 38.487 -0.031 0.000 1.025 84 N HN 0.457 nan 8.380 nan 0.000 0.428 85 A N 1.132 123.945 122.820 -0.011 0.000 2.093 85 A HA -0.241 4.079 4.320 -0.000 0.000 0.222 85 A C 2.159 179.737 177.584 -0.009 0.000 1.162 85 A CA 1.592 53.624 52.037 -0.008 0.000 0.655 85 A CB -0.590 18.409 19.000 -0.001 0.000 0.805 85 A HN 0.435 nan 8.150 nan 0.000 0.461 86 Q N -1.222 118.571 119.800 -0.011 0.000 2.089 86 Q HA 0.135 4.475 4.340 -0.000 0.000 0.195 86 Q C 2.088 178.078 176.000 -0.018 0.000 0.963 86 Q CA 0.805 56.599 55.803 -0.014 0.000 0.834 86 Q CB -0.228 28.499 28.738 -0.018 0.000 0.906 86 Q HN 0.606 nan 8.270 nan 0.000 0.452 87 A N -0.003 122.804 122.820 -0.021 0.000 2.272 87 A HA 0.040 4.360 4.320 -0.000 0.000 0.213 87 A C 1.260 178.831 177.584 -0.022 0.000 1.183 87 A CA 1.245 53.268 52.037 -0.024 0.000 0.719 87 A CB -0.327 18.656 19.000 -0.028 0.000 0.771 87 A HN 0.356 nan 8.150 nan 0.000 0.484 88 A N -2.092 120.718 122.820 -0.018 0.000 2.705 88 A HA 0.510 4.830 4.320 -0.000 0.000 0.294 88 A C 1.335 178.911 177.584 -0.013 0.000 1.039 88 A CA 0.666 52.693 52.037 -0.016 0.000 1.005 88 A CB -0.723 18.267 19.000 -0.017 0.000 1.192 88 A HN 1.746 nan 8.150 nan 0.000 0.513 89 G N -1.101 107.692 108.800 -0.012 0.000 2.199 89 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.254 89 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.254 89 G C 0.773 175.669 174.900 -0.008 0.000 0.982 89 G CA 0.219 45.313 45.100 -0.010 0.000 0.632 89 G HN 1.602 nan 8.290 nan 0.000 0.529 90 G N -0.425 108.371 108.800 -0.007 0.000 2.412 90 G HA2 0.664 4.624 3.960 -0.000 0.000 0.318 90 G HA3 0.664 4.624 3.960 -0.000 0.000 0.318 90 G C -0.146 174.752 174.900 -0.004 0.000 1.146 90 G CA -0.760 44.337 45.100 -0.004 0.000 0.882 90 G HN 0.589 nan 8.290 nan 0.000 0.501 91 I N 0.765 121.334 120.570 -0.002 0.000 2.460 91 I HA 0.539 4.709 4.170 -0.000 0.000 0.298 91 I C 0.424 176.544 176.117 0.005 0.000 0.989 91 I CA -0.858 60.441 61.300 -0.000 0.000 1.173 91 I CB 2.026 40.026 38.000 -0.000 0.000 1.338 91 I HN 0.529 nan 8.210 nan 0.000 0.456 92 A N 4.523 127.349 122.820 0.010 0.000 2.325 92 A HA 0.895 5.215 4.320 -0.000 0.000 0.333 92 A C -0.559 177.050 177.584 0.042 0.000 1.155 92 A CA -0.550 51.502 52.037 0.025 0.000 0.814 92 A CB 1.412 20.432 19.000 0.033 0.000 1.206 92 A HN 0.814 nan 8.150 nan 0.000 0.482 93 A N 1.146 123.996 122.820 0.050 0.000 2.330 93 A HA 0.680 5.000 4.320 -0.000 0.000 0.313 93 A C -1.323 176.325 177.584 0.107 0.000 1.124 93 A CA -0.325 51.750 52.037 0.064 0.000 0.774 93 A CB 0.496 19.507 19.000 0.019 0.000 1.198 93 A HN 0.967 nan 8.150 nan 0.000 0.465 94 F N 3.339 123.266 119.950 -0.039 0.000 2.361 94 F HA 0.557 5.084 4.527 0.000 0.000 0.364 94 F C -0.615 175.164 175.800 -0.034 0.000 1.117 94 F CA -0.987 56.989 58.000 -0.040 0.000 1.071 94 F CB 0.992 39.978 39.000 -0.024 0.000 1.188 94 F HN 0.389 nan 8.300 nan 0.000 0.464 95 I N 5.158 125.569 120.570 -0.265 0.000 2.291 95 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 95 I C -0.329 175.644 176.117 -0.241 0.000 1.064 95 I CA -0.286 60.908 61.300 -0.176 0.000 1.269 95 I CB 0.499 38.390 38.000 -0.181 0.000 1.418 95 I HN 0.413 nan 8.210 nan 0.000 0.485 96 D N 5.227 125.606 120.400 -0.035 0.000 2.233 96 D HA 0.661 5.301 4.640 -0.000 0.000 0.240 96 D C 0.253 176.593 176.300 0.067 0.000 1.074 96 D CA -0.340 53.688 54.000 0.045 0.000 0.838 96 D CB 1.471 42.432 40.800 0.267 0.000 1.124 96 D HN 0.547 nan 8.370 nan 0.000 0.475 97 A N 3.816 126.621 122.820 -0.024 0.000 2.600 97 A HA 0.143 4.463 4.320 -0.000 0.000 0.252 97 A C 1.040 178.434 177.584 -0.317 0.000 1.200 97 A CA -0.297 51.669 52.037 -0.118 0.000 0.981 97 A CB 0.326 19.276 19.000 -0.084 0.000 1.207 97 A HN 0.533 nan 8.150 nan 0.000 0.577 98 E N 0.069 120.157 120.200 -0.187 0.000 2.489 98 E HA 0.075 4.425 4.350 -0.000 0.000 0.204 98 E C -0.741 175.798 176.600 -0.101 0.000 1.006 98 E CA -0.114 56.185 56.400 -0.169 0.000 0.936 98 E CB -0.271 29.409 29.700 -0.034 0.000 1.002 98 E HN 0.802 nan 8.360 nan 0.000 0.488 99 H N 0.130 119.235 119.070 0.058 0.000 2.445 99 H HA -0.185 4.371 4.556 -0.000 0.000 0.322 99 H C -0.117 175.241 175.328 0.050 0.000 1.053 99 H CA 0.167 56.248 56.048 0.054 0.000 1.109 99 H CB -1.258 28.524 29.762 0.033 0.000 1.546 99 H HN 0.131 nan 8.280 nan 0.000 0.397 100 A N 1.198 124.116 122.820 0.163 0.000 3.158 100 A HA 0.510 4.830 4.320 -0.000 0.000 0.302 100 A C -0.825 176.817 177.584 0.097 0.000 1.162 100 A CA -0.511 51.588 52.037 0.103 0.000 0.824 100 A CB 0.569 19.611 19.000 0.070 0.000 1.322 100 A HN 0.196 nan 8.150 nan 0.000 0.510 101 L N 0.276 121.543 121.223 0.073 0.000 2.283 101 L HA 0.941 5.281 4.340 -0.000 0.000 0.259 101 L C -1.291 175.575 176.870 -0.006 0.000 1.027 101 L CA -0.189 54.662 54.840 0.019 0.000 0.828 101 L CB 2.278 44.312 42.059 -0.042 0.000 1.380 101 L HN 0.360 nan 8.230 nan 0.000 0.425 102 D N 1.262 121.650 120.400 -0.019 0.000 2.328 102 D HA 0.399 5.039 4.640 -0.000 0.000 0.243 102 D C -2.212 174.088 176.300 -0.001 0.000 1.324 102 D CA -1.505 52.494 54.000 -0.001 0.000 0.966 102 D CB 1.729 42.537 40.800 0.013 0.000 1.324 102 D HN 0.178 nan 8.370 nan 0.000 0.549 103 P HA -0.192 nan 4.420 nan 0.000 0.217 103 P C 1.333 178.619 177.300 -0.024 0.000 1.148 103 P CA 2.202 65.269 63.100 -0.054 0.000 0.834 103 P CB 0.379 32.047 31.700 -0.052 0.000 0.783 104 E N -0.932 119.272 120.200 0.007 0.000 2.049 104 E HA -0.302 4.048 4.350 -0.000 0.000 0.198 104 E C 1.998 178.637 176.600 0.066 0.000 1.007 104 E CA 1.823 58.239 56.400 0.026 0.000 0.809 104 E CB -1.967 27.753 29.700 0.033 0.000 0.749 104 E HN 0.335 nan 8.360 nan 0.000 0.450 105 Y N 0.899 121.161 120.300 -0.064 0.000 2.109 105 Y HA 0.116 4.666 4.550 -0.000 0.000 0.285 105 Y C 2.943 178.781 175.900 -0.105 0.000 1.131 105 Y CA 1.610 59.667 58.100 -0.072 0.000 1.121 105 Y CB -0.948 37.471 38.460 -0.067 0.000 0.987 105 Y HN 0.292 nan 8.280 nan 0.000 0.495 106 A N 0.608 123.376 122.820 -0.086 0.000 1.915 106 A HA -0.366 3.953 4.320 -0.000 0.000 0.220 106 A C 2.358 179.813 177.584 -0.215 0.000 1.198 106 A CA 3.585 55.488 52.037 -0.224 0.000 0.647 106 A CB -1.574 17.322 19.000 -0.174 0.000 0.825 106 A HN 0.537 nan 8.150 nan 0.000 0.456 107 K N -0.023 120.297 120.400 -0.133 0.000 2.026 107 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 107 K C 1.972 178.502 176.600 -0.116 0.000 1.048 107 K CA 1.946 58.170 56.287 -0.105 0.000 0.929 107 K CB -0.811 31.650 32.500 -0.065 0.000 0.713 107 K HN 0.678 nan 8.250 nan 0.000 0.439 108 K N 0.098 120.426 120.400 -0.120 0.000 2.442 108 K HA 0.053 4.373 4.320 -0.000 0.000 0.199 108 K C 2.003 178.502 176.600 -0.168 0.000 1.044 108 K CA 1.126 57.346 56.287 -0.112 0.000 0.941 108 K CB -0.244 32.213 32.500 -0.071 0.000 0.759 108 K HN 0.357 nan 8.250 nan 0.000 0.472 109 L N -1.591 119.472 121.223 -0.267 0.000 2.202 109 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 109 L C 1.659 178.462 176.870 -0.112 0.000 1.083 109 L CA 0.971 55.644 54.840 -0.278 0.000 0.790 109 L CB 0.216 41.912 42.059 -0.604 0.000 0.942 109 L HN 0.416 nan 8.230 nan 0.000 0.452 110 G N -1.290 107.439 108.800 -0.118 0.000 3.246 110 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 110 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 110 G C 0.119 174.975 174.900 -0.073 0.000 0.978 110 G CA -0.312 44.747 45.100 -0.069 0.000 0.825 110 G HN -0.052 nan 8.290 nan 0.000 0.546 111 V N 1.698 121.552 119.914 -0.100 0.000 2.788 111 V HA 0.278 4.398 4.120 -0.000 0.000 0.307 111 V C 0.591 176.640 176.094 -0.075 0.000 1.069 111 V CA 1.064 63.309 62.300 -0.091 0.000 1.173 111 V CB 1.477 33.224 31.823 -0.126 0.000 0.925 111 V HN 0.358 nan 8.190 nan 0.000 0.492 112 D N 2.563 122.927 120.400 -0.060 0.000 2.781 112 D HA 0.156 4.796 4.640 -0.000 0.000 0.254 112 D C 1.603 177.872 176.300 -0.052 0.000 1.213 112 D CA 0.469 54.440 54.000 -0.049 0.000 0.994 112 D CB 0.370 41.148 40.800 -0.037 0.000 1.019 112 D HN 0.817 nan 8.370 nan 0.000 0.514 113 T N -0.562 113.953 114.554 -0.065 0.000 2.635 113 T HA -0.369 3.981 4.350 -0.000 0.000 0.265 113 T C 1.524 176.195 174.700 -0.048 0.000 1.058 113 T CA 1.844 63.902 62.100 -0.070 0.000 1.162 113 T CB -0.423 68.401 68.868 -0.073 0.000 0.859 113 T HN 0.183 nan 8.240 nan 0.000 0.449 114 D N 1.717 122.093 120.400 -0.039 0.000 2.154 114 D HA -0.130 4.510 4.640 -0.000 0.000 0.190 114 D C 2.255 178.541 176.300 -0.024 0.000 1.003 114 D CA 2.222 56.205 54.000 -0.028 0.000 0.849 114 D CB -0.509 40.276 40.800 -0.025 0.000 0.942 114 D HN 0.729 nan 8.370 nan 0.000 0.446 115 S N -0.700 114.986 115.700 -0.024 0.000 2.634 115 S HA 0.077 4.547 4.470 -0.000 0.000 0.221 115 S C 0.546 175.136 174.600 -0.015 0.000 0.952 115 S CA -0.535 57.654 58.200 -0.017 0.000 0.930 115 S CB -0.276 62.914 63.200 -0.017 0.000 0.780 115 S HN 0.206 nan 8.310 nan 0.000 0.498 116 L N 2.467 123.677 121.223 -0.022 0.000 2.290 116 L HA 0.475 4.815 4.340 -0.000 0.000 0.284 116 L C -0.790 176.081 176.870 0.002 0.000 1.078 116 L CA -0.717 54.112 54.840 -0.017 0.000 0.815 116 L CB 1.014 43.043 42.059 -0.051 0.000 1.162 116 L HN 0.314 nan 8.230 nan 0.000 0.435 117 L N 6.032 127.270 121.223 0.024 0.000 2.290 117 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 117 L C -0.327 176.587 176.870 0.075 0.000 1.078 117 L CA -0.369 54.493 54.840 0.037 0.000 0.815 117 L CB 1.509 43.588 42.059 0.032 0.000 1.162 117 L HN 0.360 nan 8.230 nan 0.000 0.435 118 V N 2.800 122.754 119.914 0.067 0.000 2.555 118 V HA 0.484 4.604 4.120 -0.000 0.000 0.302 118 V C -0.189 175.954 176.094 0.081 0.000 1.038 118 V CA -0.255 62.110 62.300 0.109 0.000 0.887 118 V CB 2.164 34.034 31.823 0.078 0.000 0.991 118 V HN 0.805 nan 8.190 nan 0.000 0.434 119 S N 4.005 119.762 115.700 0.094 0.000 2.548 119 S HA 0.630 5.100 4.470 -0.000 0.000 0.286 119 S C -1.028 173.616 174.600 0.073 0.000 1.098 119 S CA -0.574 57.660 58.200 0.058 0.000 0.930 119 S CB 1.836 65.055 63.200 0.031 0.000 1.070 119 S HN 0.754 nan 8.310 nan 0.000 0.480 120 Q N 3.030 122.867 119.800 0.063 0.000 3.244 120 Q HA 0.324 4.664 4.340 -0.000 0.000 0.249 120 Q C -2.538 173.512 176.000 0.083 0.000 0.951 120 Q CA -1.524 54.338 55.803 0.097 0.000 0.740 120 Q CB 1.328 30.112 28.738 0.077 0.000 1.334 120 Q HN 0.462 nan 8.270 nan 0.000 0.448 121 P HA -0.086 nan 4.420 nan 0.000 0.271 121 P C 0.019 177.358 177.300 0.065 0.000 1.233 121 P CA 0.178 63.306 63.100 0.047 0.000 0.795 121 P CB 0.916 32.632 31.700 0.026 0.000 0.936 122 D N -1.478 118.949 120.400 0.044 0.000 2.431 122 D HA 0.008 4.648 4.640 -0.000 0.000 0.235 122 D C 0.707 177.028 176.300 0.034 0.000 0.980 122 D CA 1.146 55.173 54.000 0.046 0.000 0.912 122 D CB 0.026 40.845 40.800 0.031 0.000 1.056 122 D HN 0.485 nan 8.370 nan 0.000 0.494 123 T N -2.722 111.845 114.554 0.022 0.000 2.932 123 T HA 0.525 4.875 4.350 -0.000 0.000 0.289 123 T C 1.198 175.903 174.700 0.009 0.000 1.039 123 T CA -0.524 61.584 62.100 0.013 0.000 1.024 123 T CB 2.071 70.945 68.868 0.009 0.000 1.090 123 T HN -0.063 nan 8.240 nan 0.000 0.496 124 G N 0.076 108.878 108.800 0.004 0.000 2.598 124 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.215 124 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.215 124 G C 1.026 175.928 174.900 0.004 0.000 1.131 124 G CA 0.157 45.258 45.100 0.002 0.000 0.785 124 G HN 0.868 nan 8.290 nan 0.000 0.539 125 E N -0.215 119.987 120.200 0.003 0.000 2.170 125 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 125 E C 2.215 178.817 176.600 0.003 0.000 0.981 125 E CA 0.484 56.885 56.400 0.002 0.000 0.830 125 E CB -0.081 29.619 29.700 0.000 0.000 0.775 125 E HN 0.560 nan 8.360 nan 0.000 0.470 126 Q N 0.857 120.660 119.800 0.004 0.000 2.245 126 Q HA -0.014 4.326 4.340 -0.000 0.000 0.201 126 Q C 2.012 178.014 176.000 0.003 0.000 0.955 126 Q CA 0.819 56.624 55.803 0.005 0.000 0.870 126 Q CB 0.072 28.814 28.738 0.008 0.000 0.945 126 Q HN 0.192 nan 8.270 nan 0.000 0.461 127 A N 0.844 123.666 122.820 0.003 0.000 1.929 127 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 127 A C 1.939 179.518 177.584 -0.010 0.000 1.176 127 A CA 0.760 52.794 52.037 -0.005 0.000 0.628 127 A CB -0.390 18.606 19.000 -0.007 0.000 0.816 127 A HN 0.424 nan 8.150 nan 0.000 0.444 128 L N -0.841 120.383 121.223 0.002 0.000 2.313 128 L HA -0.046 4.294 4.340 -0.000 0.000 0.214 128 L C 2.405 179.276 176.870 0.002 0.000 1.119 128 L CA 0.570 55.416 54.840 0.009 0.000 0.809 128 L CB -0.395 41.678 42.059 0.024 0.000 0.933 128 L HN 0.318 nan 8.230 nan 0.000 0.449 129 E N 0.640 120.839 120.200 -0.000 0.000 2.046 129 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 129 E C 2.280 178.877 176.600 -0.004 0.000 0.982 129 E CA 1.084 57.483 56.400 -0.001 0.000 0.800 129 E CB -0.026 29.674 29.700 0.000 0.000 0.756 129 E HN 0.463 nan 8.360 nan 0.000 0.449 130 I N 0.882 121.449 120.570 -0.006 0.000 2.454 130 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 130 I C 2.096 178.203 176.117 -0.016 0.000 1.156 130 I CA 0.924 62.219 61.300 -0.008 0.000 1.433 130 I CB -0.210 37.787 38.000 -0.006 0.000 1.082 130 I HN -0.030 nan 8.210 nan 0.000 0.432 131 A N -0.541 122.264 122.820 -0.025 0.000 2.178 131 A HA -0.125 4.195 4.320 -0.000 0.000 0.211 131 A C 1.996 179.565 177.584 -0.024 0.000 1.157 131 A CA 0.834 52.846 52.037 -0.042 0.000 0.780 131 A CB -0.203 18.753 19.000 -0.073 0.000 0.828 131 A HN 0.367 nan 8.150 nan 0.000 0.476 132 D N 0.451 120.845 120.400 -0.010 0.000 2.355 132 D HA -0.103 4.537 4.640 -0.000 0.000 0.233 132 D C 2.167 178.467 176.300 -0.001 0.000 0.997 132 D CA 1.618 55.617 54.000 -0.001 0.000 0.920 132 D CB -0.219 40.583 40.800 0.003 0.000 1.063 132 D HN 0.475 nan 8.370 nan 0.000 0.465 133 M N -0.107 119.493 119.600 -0.001 0.000 2.213 133 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 133 M C 2.138 178.438 176.300 -0.001 0.000 1.062 133 M CA 1.104 56.405 55.300 0.000 0.000 1.105 133 M CB -0.393 32.207 32.600 0.001 0.000 1.385 133 M HN -0.028 nan 8.290 nan 0.000 0.417 134 L N 0.787 122.007 121.223 -0.005 0.000 2.017 134 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 134 L C 2.554 179.421 176.870 -0.005 0.000 1.073 134 L CA 1.397 56.234 54.840 -0.005 0.000 0.745 134 L CB -0.597 41.456 42.059 -0.011 0.000 0.894 134 L HN 0.313 nan 8.230 nan 0.000 0.432 135 V N -0.678 119.232 119.914 -0.006 0.000 2.913 135 V HA -0.199 3.921 4.120 -0.000 0.000 0.260 135 V C 2.548 178.645 176.094 0.004 0.000 1.098 135 V CA 1.318 63.616 62.300 -0.002 0.000 1.121 135 V CB -0.501 31.320 31.823 -0.003 0.000 0.714 135 V HN 0.483 nan 8.190 nan 0.000 0.487 136 R N 0.379 120.882 120.500 0.004 0.000 2.193 136 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 136 R C 2.441 178.745 176.300 0.006 0.000 1.055 136 R CA 1.278 57.382 56.100 0.007 0.000 0.995 136 R CB -0.334 29.970 30.300 0.007 0.000 0.893 136 R HN 0.739 nan 8.270 nan 0.000 0.459 137 S N -0.175 115.527 115.700 0.004 0.000 2.474 137 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 137 S C 1.509 176.111 174.600 0.004 0.000 0.997 137 S CA 0.720 58.922 58.200 0.004 0.000 0.949 137 S CB -0.071 63.130 63.200 0.002 0.000 0.766 137 S HN 0.476 nan 8.310 nan 0.000 0.517 138 G N 0.584 109.387 108.800 0.005 0.000 2.225 138 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.267 138 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.267 138 G C 0.688 175.590 174.900 0.004 0.000 1.024 138 G CA 0.274 45.377 45.100 0.005 0.000 0.784 138 G HN 1.253 nan 8.290 nan 0.000 0.507 139 A N -1.085 121.737 122.820 0.003 0.000 2.063 139 A HA 0.642 4.961 4.320 -0.000 0.000 0.211 139 A C 1.240 178.825 177.584 0.002 0.000 1.177 139 A CA 0.592 52.630 52.037 0.002 0.000 0.759 139 A CB 0.201 19.201 19.000 0.001 0.000 0.857 139 A HN 0.449 nan 8.150 nan 0.000 0.468 140 L N 0.557 121.781 121.223 0.001 0.000 2.418 140 L HA 0.295 4.635 4.340 -0.000 0.000 0.265 140 L C 0.291 177.162 176.870 0.002 0.000 1.143 140 L CA 0.427 55.267 54.840 0.001 0.000 0.809 140 L CB 0.572 42.629 42.059 -0.002 0.000 1.124 140 L HN 0.254 nan 8.230 nan 0.000 0.456 141 D N 0.568 120.969 120.400 0.002 0.000 2.652 141 D HA 0.176 4.816 4.640 -0.000 0.000 0.261 141 D C -0.046 176.256 176.300 0.003 0.000 1.024 141 D CA 0.482 54.484 54.000 0.003 0.000 0.958 141 D CB 0.615 41.416 40.800 0.002 0.000 1.113 141 D HN 0.351 nan 8.370 nan 0.000 0.471 142 I N 0.614 121.186 120.570 0.003 0.000 2.545 142 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 142 I C -1.712 174.401 176.117 -0.006 0.000 1.040 142 I CA -0.796 60.505 61.300 0.002 0.000 1.068 142 I CB 1.805 39.812 38.000 0.011 0.000 1.251 142 I HN -0.085 nan 8.210 nan 0.000 0.424 143 I N 7.571 128.120 120.570 -0.036 0.000 2.686 143 I HA 0.698 4.868 4.170 -0.000 0.000 0.295 143 I C -1.943 174.083 176.117 -0.153 0.000 1.114 143 I CA -0.795 60.462 61.300 -0.073 0.000 1.038 143 I CB 1.984 39.929 38.000 -0.093 0.000 1.238 143 I HN 0.486 nan 8.210 nan 0.000 0.420 144 V N 8.133 127.925 119.914 -0.202 0.000 2.612 144 V HA 0.518 4.638 4.120 -0.000 0.000 0.301 144 V C -1.209 174.558 176.094 -0.545 0.000 1.059 144 V CA -0.361 61.734 62.300 -0.341 0.000 0.886 144 V CB 1.852 33.564 31.823 -0.185 0.000 1.007 144 V HN 0.596 nan 8.190 nan 0.000 0.426 145 I N 6.167 126.375 120.570 -0.603 0.000 2.352 145 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 145 I C 0.258 176.133 176.117 -0.404 0.000 1.036 145 I CA 0.260 61.259 61.300 -0.503 0.000 1.336 145 I CB 1.011 38.745 38.000 -0.444 0.000 1.407 145 I HN 0.593 nan 8.210 nan 0.000 0.497 146 D N 5.644 125.768 120.400 -0.460 0.000 2.339 146 D HA 0.249 4.889 4.640 -0.000 0.000 0.241 146 D C -0.634 175.599 176.300 -0.112 0.000 1.183 146 D CA 0.288 54.123 54.000 -0.274 0.000 0.859 146 D CB 0.616 41.263 40.800 -0.255 0.000 1.067 146 D HN 0.521 nan 8.370 nan 0.000 0.484 147 S N 2.183 117.865 115.700 -0.030 0.000 3.601 147 S HA -0.117 4.353 4.470 -0.000 0.000 0.730 147 S C 1.094 175.715 174.600 0.035 0.000 0.515 147 S CA -0.124 58.081 58.200 0.008 0.000 1.463 147 S CB -0.921 62.269 63.200 -0.017 0.000 0.924 147 S HN 0.400 nan 8.310 nan 0.000 1.050 148 V N 2.408 122.370 119.914 0.081 0.000 2.515 148 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 148 V C 2.407 178.516 176.094 0.024 0.000 1.058 148 V CA 2.530 64.880 62.300 0.085 0.000 1.064 148 V CB -0.551 31.301 31.823 0.048 0.000 0.675 148 V HN 1.038 nan 8.190 nan 0.000 0.461 149 A N -0.484 122.344 122.820 0.013 0.000 2.119 149 A HA 0.185 4.505 4.320 -0.000 0.000 0.217 149 A C 2.042 179.619 177.584 -0.013 0.000 1.153 149 A CA 1.263 53.297 52.037 -0.004 0.000 0.692 149 A CB -0.300 18.698 19.000 -0.003 0.000 0.799 149 A HN 0.554 nan 8.150 nan 0.000 0.458 150 A N -1.048 121.762 122.820 -0.017 0.000 2.379 150 A HA 0.485 4.805 4.320 -0.000 0.000 0.236 150 A C 0.323 177.887 177.584 -0.033 0.000 1.272 150 A CA -0.096 51.918 52.037 -0.038 0.000 0.886 150 A CB -0.208 18.753 19.000 -0.065 0.000 0.962 150 A HN 0.238 nan 8.150 nan 0.000 0.504 151 L N 1.447 122.661 121.223 -0.016 0.000 2.865 151 L HA 0.159 4.499 4.340 -0.000 0.000 0.233 151 L C 0.625 177.490 176.870 -0.009 0.000 1.320 151 L CA -0.327 54.508 54.840 -0.009 0.000 1.225 151 L CB -0.363 41.700 42.059 0.006 0.000 1.542 151 L HN 0.292 nan 8.230 nan 0.000 0.432 152 V N -0.181 119.726 119.914 -0.012 0.000 2.788 152 V HA 0.266 4.386 4.120 -0.000 0.000 0.307 152 V C -2.136 173.955 176.094 -0.005 0.000 1.069 152 V CA -1.174 61.120 62.300 -0.009 0.000 1.173 152 V CB -0.001 31.817 31.823 -0.008 0.000 0.925 152 V HN 0.324 nan 8.190 nan 0.000 0.492 153 P HA 0.404 nan 4.420 nan 0.000 0.274 153 P C 0.963 178.263 177.300 -0.000 0.000 1.231 153 P CA 0.399 63.497 63.100 -0.003 0.000 0.790 153 P CB 0.665 32.362 31.700 -0.004 0.000 0.951 154 R N 2.238 122.738 120.500 0.001 0.000 2.154 154 R HA -0.231 4.109 4.340 -0.000 0.000 0.248 154 R C 1.985 178.286 176.300 0.003 0.000 1.155 154 R CA 2.682 58.784 56.100 0.003 0.000 0.979 154 R CB -2.137 28.165 30.300 0.003 0.000 0.869 154 R HN 0.633 nan 8.270 nan 0.000 0.452 155 A N 0.709 123.530 122.820 0.001 0.000 1.830 155 A HA -0.220 4.100 4.320 -0.000 0.000 0.214 155 A C 2.192 179.776 177.584 0.001 0.000 1.218 155 A CA 1.927 53.965 52.037 0.001 0.000 0.628 155 A CB -0.952 18.048 19.000 -0.000 0.000 0.860 155 A HN 0.741 nan 8.150 nan 0.000 0.454 156 E N -0.357 119.843 120.200 -0.000 0.000 2.136 156 E HA -0.272 4.078 4.350 -0.000 0.000 0.208 156 E C 1.703 178.304 176.600 0.001 0.000 1.035 156 E CA 1.825 58.225 56.400 -0.000 0.000 0.838 156 E CB -0.320 29.379 29.700 -0.002 0.000 0.748 156 E HN 0.610 nan 8.360 nan 0.000 0.459 157 I N -0.263 120.308 120.570 0.002 0.000 3.241 157 I HA -0.137 4.033 4.170 -0.000 0.000 0.280 157 I C 0.829 176.950 176.117 0.006 0.000 1.320 157 I CA 1.187 62.490 61.300 0.005 0.000 1.413 157 I CB -0.027 37.977 38.000 0.008 0.000 1.060 157 I HN 0.204 nan 8.210 nan 0.000 0.500 158 E N -0.588 119.615 120.200 0.004 0.000 2.536 158 E HA 0.213 4.563 4.350 -0.000 0.000 0.220 158 E C 1.317 177.918 176.600 0.003 0.000 0.876 158 E CA 0.522 56.925 56.400 0.004 0.000 1.190 158 E CB 0.929 30.632 29.700 0.004 0.000 1.191 158 E HN 0.538 nan 8.360 nan 0.000 0.557 159 G N 1.476 110.278 108.800 0.002 0.000 4.365 159 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.214 159 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.214 159 G C 0.519 175.420 174.900 0.001 0.000 1.450 159 G CA 0.091 45.193 45.100 0.002 0.000 0.937 159 G HN 0.493 nan 8.290 nan 0.000 0.625 160 E N 0.007 120.208 120.200 0.002 0.000 2.414 160 E HA 0.664 5.014 4.350 -0.000 0.000 0.263 160 E C 1.336 177.936 176.600 0.001 0.000 1.000 160 E CA 2.367 58.768 56.400 0.001 0.000 0.914 160 E CB -0.086 29.615 29.700 0.002 0.000 0.948 160 E HN 2.633 nan 8.360 nan 0.000 0.444 161 M N -0.417 119.183 119.600 0.001 0.000 3.123 161 M HA 0.262 4.742 4.480 -0.000 0.000 0.240 161 M C 1.791 178.091 176.300 0.000 0.000 0.507 161 M CA 1.577 56.877 55.300 0.001 0.000 0.920 161 M CB -2.076 30.525 32.600 0.001 0.000 3.259 161 M HN 2.828 nan 8.290 nan 0.000 0.312 165 H N -0.711 118.358 119.070 -0.001 0.000 2.607 165 H HA 0.929 5.485 4.556 -0.000 0.000 0.293 165 H C 1.841 177.168 175.328 -0.002 0.000 1.262 165 H CA 2.572 58.620 56.048 -0.001 0.000 1.854 165 H CB -0.715 29.047 29.762 -0.001 0.000 1.508 165 H HN 1.797 nan 8.280 nan 0.000 0.613 166 V N -1.596 118.317 119.914 -0.002 0.000 0.384 166 V HA -0.107 4.013 4.120 -0.000 0.000 0.092 166 V C 2.541 178.632 176.094 -0.004 0.000 2.743 166 V CA 1.560 63.858 62.300 -0.003 0.000 3.815 166 V CB -1.797 30.024 31.823 -0.003 0.000 1.069 166 V HN 1.459 nan 8.190 nan 0.000 1.126 167 G N 0.565 109.363 108.800 -0.002 0.000 2.621 167 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.215 167 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.215 167 G C 1.232 176.129 174.900 -0.004 0.000 1.127 167 G CA 1.450 46.549 45.100 -0.002 0.000 0.747 167 G HN 1.023 nan 8.290 nan 0.000 0.561 168 L N -0.963 120.257 121.223 -0.005 0.000 2.042 168 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 168 L C 3.058 179.922 176.870 -0.011 0.000 1.076 168 L CA 1.347 56.182 54.840 -0.007 0.000 0.749 168 L CB -0.485 41.570 42.059 -0.006 0.000 0.893 168 L HN 0.287 nan 8.230 nan 0.000 0.432 169 Q N 0.296 120.088 119.800 -0.013 0.000 1.917 169 Q HA -0.109 4.231 4.340 -0.000 0.000 0.205 169 Q C 1.329 177.316 176.000 -0.022 0.000 0.988 169 Q CA 1.326 57.119 55.803 -0.017 0.000 0.851 169 Q CB -0.241 28.485 28.738 -0.020 0.000 0.916 169 Q HN 0.505 nan 8.270 nan 0.000 0.424 170 A N 1.044 123.852 122.820 -0.021 0.000 3.092 170 A HA 0.032 4.352 4.320 -0.000 0.000 0.278 170 A C 0.600 178.178 177.584 -0.011 0.000 1.956 170 A CA 0.820 52.846 52.037 -0.019 0.000 1.501 170 A CB -0.595 18.399 19.000 -0.011 0.000 0.977 170 A HN 0.480 nan 8.150 nan 0.000 0.607 171 R N -0.372 120.117 120.500 -0.020 0.000 3.602 171 R HA -0.068 4.272 4.340 -0.000 0.000 0.030 171 R C 1.560 177.845 176.300 -0.025 0.000 0.816 171 R CA 0.479 56.570 56.100 -0.014 0.000 2.885 171 R CB -0.698 29.597 30.300 -0.008 0.000 1.029 171 R HN 0.641 nan 8.270 nan 0.000 0.515 172 L N 1.189 122.399 121.223 -0.022 0.000 2.189 172 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 172 L C 1.732 178.581 176.870 -0.036 0.000 1.097 172 L CA 1.919 56.746 54.840 -0.022 0.000 0.764 172 L CB -0.245 41.805 42.059 -0.014 0.000 0.900 172 L HN 0.344 nan 8.230 nan 0.000 0.436 173 M N -0.806 118.765 119.600 -0.049 0.000 2.276 173 M HA -0.025 4.455 4.480 -0.000 0.000 0.262 173 M C 2.448 178.667 176.300 -0.136 0.000 1.098 173 M CA 1.461 56.711 55.300 -0.083 0.000 1.167 173 M CB -0.701 31.842 32.600 -0.094 0.000 1.337 173 M HN 0.349 nan 8.290 nan 0.000 0.446 174 S N 0.661 116.295 115.700 -0.111 0.000 2.374 174 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 174 S C 1.803 176.309 174.600 -0.157 0.000 1.037 174 S CA 1.081 59.194 58.200 -0.145 0.000 1.024 174 S CB -0.245 62.947 63.200 -0.014 0.000 0.861 174 S HN 0.395 nan 8.310 nan 0.000 0.456 175 Q N 1.156 120.906 119.800 -0.084 0.000 2.029 175 Q HA -0.125 4.215 4.340 -0.000 0.000 0.209 175 Q C 2.481 178.431 176.000 -0.084 0.000 0.999 175 Q CA 1.942 57.709 55.803 -0.060 0.000 0.857 175 Q CB -0.942 27.776 28.738 -0.034 0.000 0.926 175 Q HN 0.617 nan 8.270 nan 0.000 0.415 176 A N 0.201 122.967 122.820 -0.090 0.000 2.016 176 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 176 A C 2.072 179.579 177.584 -0.129 0.000 1.162 176 A CA 0.539 52.531 52.037 -0.075 0.000 0.662 176 A CB -0.190 18.791 19.000 -0.033 0.000 0.812 176 A HN 0.208 nan 8.150 nan 0.000 0.450 177 L N -0.148 120.910 121.223 -0.276 0.000 2.005 177 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 177 L C 2.540 179.108 176.870 -0.503 0.000 1.072 177 L CA 2.033 56.588 54.840 -0.475 0.000 0.744 177 L CB -1.256 40.265 42.059 -0.896 0.000 0.895 177 L HN 0.529 nan 8.230 nan 0.000 0.433 178 R N 0.334 120.524 120.500 -0.516 0.000 2.073 178 R HA -0.229 4.111 4.340 -0.000 0.000 0.234 178 R C 2.341 178.642 176.300 0.000 0.000 1.134 178 R CA 1.946 57.995 56.100 -0.086 0.000 0.952 178 R CB -0.078 30.262 30.300 0.067 0.000 0.850 178 R HN 0.242 nan 8.270 nan 0.000 0.433 179 K N 0.215 120.594 120.400 -0.036 0.000 2.026 179 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 179 K C 2.137 178.742 176.600 0.008 0.000 1.048 179 K CA 1.904 58.188 56.287 -0.003 0.000 0.929 179 K CB -0.151 32.341 32.500 -0.012 0.000 0.713 179 K HN 0.207 nan 8.250 nan 0.000 0.439 180 M N 0.142 119.739 119.600 -0.004 0.000 2.288 180 M HA -0.125 4.355 4.480 -0.000 0.000 0.266 180 M C 1.955 178.286 176.300 0.052 0.000 1.072 180 M CA 1.374 56.689 55.300 0.024 0.000 1.132 180 M CB 0.011 32.632 32.600 0.035 0.000 1.386 180 M HN 0.210 nan 8.290 nan 0.000 0.432 181 T N 0.182 114.772 114.554 0.061 0.000 2.720 181 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 181 T C 1.540 176.301 174.700 0.103 0.000 1.037 181 T CA 1.850 64.024 62.100 0.124 0.000 1.144 181 T CB -0.637 68.382 68.868 0.252 0.000 0.864 181 T HN 0.682 nan 8.240 nan 0.000 0.444 182 G N 0.802 109.654 108.800 0.086 0.000 2.587 182 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 182 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 182 G C 1.873 176.805 174.900 0.053 0.000 1.240 182 G CA 1.309 46.450 45.100 0.068 0.000 0.794 182 G HN 0.644 nan 8.290 nan 0.000 0.580 183 A N 0.705 123.551 122.820 0.044 0.000 1.859 183 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 183 A C 2.509 180.115 177.584 0.038 0.000 1.198 183 A CA 1.844 53.902 52.037 0.035 0.000 0.629 183 A CB -0.769 18.247 19.000 0.028 0.000 0.830 183 A HN 0.400 nan 8.150 nan 0.000 0.446 184 L N -0.548 120.702 121.223 0.046 0.000 2.054 184 L HA -0.385 3.955 4.340 -0.000 0.000 0.220 184 L C 3.028 179.926 176.870 0.045 0.000 1.081 184 L CA 2.237 57.106 54.840 0.048 0.000 0.780 184 L CB -1.380 40.720 42.059 0.068 0.000 0.893 184 L HN 0.727 nan 8.230 nan 0.000 0.438 185 N N 0.088 118.819 118.700 0.051 0.000 2.104 185 N HA -0.233 4.507 4.740 -0.000 0.000 0.190 185 N C 1.564 177.095 175.510 0.035 0.000 1.024 185 N CA 2.150 55.227 53.050 0.045 0.000 0.853 185 N CB -1.043 37.475 38.487 0.050 0.000 1.008 185 N HN 0.614 nan 8.380 nan 0.000 0.424 186 N N 0.080 118.799 118.700 0.032 0.000 2.092 186 N HA -0.128 4.612 4.740 -0.000 0.000 0.189 186 N C 2.318 177.841 175.510 0.022 0.000 1.040 186 N CA 1.687 54.752 53.050 0.025 0.000 0.845 186 N CB -0.112 38.389 38.487 0.024 0.000 1.017 186 N HN 0.602 nan 8.380 nan 0.000 0.426 187 S N 0.263 115.976 115.700 0.022 0.000 2.383 187 S HA -0.042 4.428 4.470 -0.000 0.000 0.229 187 S C 1.702 176.312 174.600 0.017 0.000 1.030 187 S CA 1.079 59.289 58.200 0.017 0.000 1.002 187 S CB -0.684 62.526 63.200 0.016 0.000 0.829 187 S HN 0.548 nan 8.310 nan 0.000 0.467 188 G N 0.450 109.263 108.800 0.021 0.000 2.149 188 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.235 188 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.235 188 G C -0.005 174.906 174.900 0.018 0.000 1.018 188 G CA 0.200 45.312 45.100 0.020 0.000 0.728 188 G HN 0.651 nan 8.290 nan 0.000 0.508 189 T N 1.120 115.686 114.554 0.019 0.000 2.753 189 T HA 0.521 4.871 4.350 -0.000 0.000 0.297 189 T C 0.476 175.188 174.700 0.019 0.000 0.981 189 T CA 0.560 62.668 62.100 0.014 0.000 0.956 189 T CB 1.498 70.370 68.868 0.008 0.000 0.936 189 T HN 0.455 nan 8.240 nan 0.000 0.463 190 T N 2.870 117.435 114.554 0.018 0.000 2.851 190 T HA 0.541 4.891 4.350 -0.000 0.000 0.298 190 T C -0.054 174.652 174.700 0.011 0.000 0.977 190 T CA -0.645 61.471 62.100 0.026 0.000 1.126 190 T CB 0.047 68.930 68.868 0.026 0.000 0.916 190 T HN 0.658 nan 8.240 nan 0.000 0.529 191 A N 6.395 129.230 122.820 0.025 0.000 2.287 191 A HA 0.697 5.017 4.320 -0.000 0.000 0.317 191 A C -0.160 177.412 177.584 -0.020 0.000 1.220 191 A CA -0.791 51.223 52.037 -0.039 0.000 0.835 191 A CB 0.468 19.447 19.000 -0.035 0.000 1.180 191 A HN 0.893 nan 8.150 nan 0.000 0.500 192 I N 1.620 122.114 120.570 -0.126 0.000 2.437 192 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 192 I C -1.101 174.886 176.117 -0.217 0.000 0.984 192 I CA -0.322 60.950 61.300 -0.046 0.000 1.214 192 I CB 1.510 39.500 38.000 -0.017 0.000 1.365 192 I HN 0.568 nan 8.210 nan 0.000 0.469 193 F N 5.647 125.592 119.950 -0.008 0.000 2.536 193 F HA 0.421 4.948 4.527 0.000 0.000 0.322 193 F C -0.315 175.486 175.800 0.003 0.000 1.144 193 F CA -0.614 57.373 58.000 -0.022 0.000 0.924 193 F CB 1.437 40.430 39.000 -0.012 0.000 1.181 193 F HN 0.111 nan 8.300 nan 0.000 0.438 194 I N 3.612 124.265 120.570 0.137 0.000 2.342 194 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 194 I C 0.205 176.401 176.117 0.131 0.000 1.010 194 I CA -0.089 61.282 61.300 0.119 0.000 1.308 194 I CB 0.460 38.505 38.000 0.074 0.000 1.400 194 I HN 0.537 nan 8.210 nan 0.000 0.488 195 N N 4.118 122.907 118.700 0.148 0.000 2.879 195 N HA 0.517 5.257 4.740 -0.000 0.000 0.329 195 N C -0.414 175.165 175.510 0.115 0.000 1.337 195 N CA -0.437 52.684 53.050 0.119 0.000 0.844 195 N CB 1.146 39.702 38.487 0.115 0.000 1.236 195 N HN 0.423 nan 8.380 nan 0.000 0.601 196 Q N -1.073 118.777 119.800 0.084 0.000 3.375 196 Q HA 0.771 5.111 4.340 -0.000 0.000 0.295 196 Q C -0.972 175.083 176.000 0.091 0.000 0.996 196 Q CA -0.664 55.188 55.803 0.081 0.000 0.801 196 Q CB 0.113 28.876 28.738 0.041 0.000 2.066 196 Q HN 0.475 nan 8.270 nan 0.000 0.424 197 L N -0.943 120.317 121.223 0.061 0.000 2.710 197 L HA 0.721 5.061 4.340 -0.000 0.000 0.262 197 L C 0.393 177.281 176.870 0.029 0.000 0.940 197 L CA 0.039 54.912 54.840 0.054 0.000 0.944 197 L CB 0.445 42.553 42.059 0.083 0.000 1.348 197 L HN 0.684 nan 8.230 nan 0.000 0.425 198 R N 0.472 120.979 120.500 0.012 0.000 2.297 198 R HA 0.663 5.003 4.340 -0.000 0.000 0.197 198 R C 1.140 177.445 176.300 0.008 0.000 0.943 198 R CA 2.697 58.800 56.100 0.006 0.000 1.038 198 R CB -0.220 30.077 30.300 -0.004 0.000 0.957 198 R HN 2.242 nan 8.270 nan 0.000 0.484 199 E N -2.770 117.438 120.200 0.013 0.000 3.182 199 E HA 0.316 4.666 4.350 -0.000 0.000 0.283 199 E C 2.033 178.645 176.600 0.021 0.000 1.167 199 E CA 1.564 57.972 56.400 0.013 0.000 2.016 199 E CB -1.165 28.539 29.700 0.007 0.000 2.094 199 E HN 1.033 nan 8.360 nan 0.000 1.000 200 K N -0.786 119.627 120.400 0.021 0.000 5.141 200 K HA -0.072 4.248 4.320 -0.000 0.000 0.348 200 K C 1.943 178.565 176.600 0.036 0.000 0.723 200 K CA 4.792 61.095 56.287 0.028 0.000 1.215 200 K CB -2.670 29.851 32.500 0.034 0.000 1.286 200 K HN 2.345 nan 8.250 nan 0.000 0.748 210 T N -1.023 113.473 114.554 -0.098 0.000 2.995 210 T HA 0.314 4.664 4.350 -0.000 0.000 0.260 210 T C 1.483 176.099 174.700 -0.140 0.000 1.129 210 T CA 4.356 66.388 62.100 -0.113 0.000 1.144 210 T CB -1.227 67.601 68.868 -0.068 0.000 0.774 210 T HN 2.280 nan 8.240 nan 0.000 0.577 211 T N -3.672 110.802 114.554 -0.134 0.000 2.622 211 T HA 0.560 4.910 4.350 -0.000 0.000 0.283 211 T C 0.556 175.197 174.700 -0.099 0.000 1.950 211 T CA 0.503 62.523 62.100 -0.133 0.000 0.947 211 T CB -0.102 68.708 68.868 -0.097 0.000 2.084 211 T HN 0.085 nan 8.240 nan 0.000 0.463 212 T N -1.170 113.334 114.554 -0.083 0.000 3.304 212 T HA 0.491 4.841 4.350 -0.000 0.000 0.269 212 T C 1.308 175.979 174.700 -0.049 0.000 0.895 212 T CA 1.017 63.082 62.100 -0.057 0.000 0.948 212 T CB 0.686 69.523 68.868 -0.052 0.000 1.242 212 T HN 1.901 nan 8.240 nan 0.000 0.522 213 G N 0.204 108.968 108.800 -0.060 0.000 4.260 213 G HA2 0.360 4.320 3.960 -0.000 0.000 0.204 213 G HA3 0.360 4.320 3.960 -0.000 0.000 0.204 213 G C 1.140 175.999 174.900 -0.068 0.000 0.952 213 G CA 0.633 45.702 45.100 -0.051 0.000 0.815 213 G HN 0.463 nan 8.290 nan 0.000 0.465 214 G N 1.706 110.449 108.800 -0.095 0.000 2.719 214 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.219 214 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.219 214 G C 2.081 176.913 174.900 -0.114 0.000 1.234 214 G CA 3.654 48.675 45.100 -0.132 0.000 0.788 214 G HN 1.413 nan 8.290 nan 0.000 0.619 215 K N 0.030 120.377 120.400 -0.088 0.000 2.635 215 K HA -0.336 3.984 4.320 -0.000 0.000 0.203 215 K C 2.819 179.465 176.600 0.076 0.000 0.873 215 K CA 3.713 59.991 56.287 -0.015 0.000 0.919 215 K CB -1.647 30.906 32.500 0.089 0.000 1.309 215 K HN 1.454 nan 8.250 nan 0.000 0.542 216 A N -0.030 122.865 122.820 0.125 0.000 1.824 216 A HA 0.157 4.477 4.320 -0.000 0.000 0.215 216 A C 2.465 180.191 177.584 0.236 0.000 1.209 216 A CA 2.159 54.366 52.037 0.283 0.000 0.614 216 A CB -0.695 18.362 19.000 0.095 0.000 0.852 216 A HN 1.114 nan 8.150 nan 0.000 0.447 217 L N 0.283 121.488 121.223 -0.030 0.000 2.089 217 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 217 L C 2.380 179.179 176.870 -0.119 0.000 1.079 217 L CA 2.551 57.303 54.840 -0.147 0.000 0.758 217 L CB -0.539 41.323 42.059 -0.328 0.000 0.891 217 L HN 0.521 nan 8.230 nan 0.000 0.433 218 K N -1.652 118.616 120.400 -0.221 0.000 2.209 218 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 218 K C 1.715 178.035 176.600 -0.466 0.000 1.048 218 K CA 1.579 57.619 56.287 -0.411 0.000 0.940 218 K CB -0.072 32.035 32.500 -0.655 0.000 0.729 218 K HN 0.352 nan 8.250 nan 0.000 0.451 219 F N -1.399 118.538 119.950 -0.021 0.000 2.553 219 F HA 0.116 4.643 4.527 -0.000 0.000 0.282 219 F C 1.623 177.339 175.800 -0.141 0.000 1.089 219 F CA 0.002 57.941 58.000 -0.102 0.000 1.411 219 F CB -0.429 38.465 39.000 -0.176 0.000 1.125 219 F HN -0.092 nan 8.300 nan 0.000 0.610 220 Y N 0.742 121.103 120.300 0.100 0.000 2.439 220 Y HA 0.195 4.745 4.550 -0.000 0.000 0.292 220 Y C 1.638 177.551 175.900 0.021 0.000 1.130 220 Y CA 0.092 58.219 58.100 0.045 0.000 1.254 220 Y CB -0.683 37.779 38.460 0.003 0.000 1.000 220 Y HN -0.087 nan 8.280 nan 0.000 0.554 221 A N -0.333 122.558 122.820 0.118 0.000 2.407 221 A HA 0.260 4.580 4.320 -0.000 0.000 0.248 221 A C 1.041 178.658 177.584 0.056 0.000 1.082 221 A CA 0.215 52.294 52.037 0.070 0.000 0.785 221 A CB 0.220 19.234 19.000 0.023 0.000 1.020 221 A HN 0.266 nan 8.150 nan 0.000 0.489 222 S N -0.177 115.558 115.700 0.058 0.000 2.539 222 S HA 0.342 4.812 4.470 -0.000 0.000 0.221 222 S C -0.168 174.445 174.600 0.021 0.000 0.987 222 S CA 0.083 58.306 58.200 0.038 0.000 0.929 222 S CB 0.216 63.444 63.200 0.047 0.000 0.832 222 S HN 0.585 nan 8.310 nan 0.000 0.492 223 V N 1.650 121.580 119.914 0.026 0.000 2.789 223 V HA 0.423 4.543 4.120 -0.000 0.000 0.300 223 V C -1.110 175.001 176.094 0.028 0.000 1.184 223 V CA -0.744 61.563 62.300 0.012 0.000 0.930 223 V CB 2.221 34.055 31.823 0.019 0.000 1.041 223 V HN 0.101 nan 8.190 nan 0.000 0.430 224 R N 3.682 124.192 120.500 0.016 0.000 2.476 224 R HA 0.745 5.085 4.340 -0.000 0.000 0.305 224 R C -1.640 174.663 176.300 0.004 0.000 0.965 224 R CA -0.682 55.456 56.100 0.064 0.000 0.867 224 R CB 1.904 32.275 30.300 0.118 0.000 1.176 224 R HN 0.502 nan 8.270 nan 0.000 0.447 225 L N 2.241 123.436 121.223 -0.047 0.000 2.282 225 L HA 0.263 4.603 4.340 -0.000 0.000 0.288 225 L C 0.123 176.730 176.870 -0.439 0.000 1.033 225 L CA -0.109 54.642 54.840 -0.149 0.000 0.807 225 L CB 1.413 43.435 42.059 -0.061 0.000 1.209 225 L HN 0.460 nan 8.230 nan 0.000 0.423 226 D N 2.957 123.082 120.400 -0.459 0.000 2.639 226 D HA 0.120 4.760 4.640 -0.000 0.000 0.233 226 D C -0.500 175.598 176.300 -0.338 0.000 1.161 226 D CA -0.180 53.416 54.000 -0.674 0.000 1.003 226 D CB 0.499 41.077 40.800 -0.369 0.000 1.034 226 D HN 0.121 nan 8.370 nan 0.000 0.514 227 V N 3.426 123.177 119.914 -0.272 0.000 2.585 227 V HA 0.188 4.308 4.120 -0.000 0.000 0.296 227 V C 0.770 176.811 176.094 -0.089 0.000 1.035 227 V CA 0.299 62.530 62.300 -0.116 0.000 1.084 227 V CB 0.540 32.349 31.823 -0.024 0.000 0.953 227 V HN 0.300 nan 8.190 nan 0.000 0.483 228 R N 3.934 124.388 120.500 -0.076 0.000 2.542 228 R HA 0.319 4.659 4.340 -0.000 0.000 0.284 228 R C -0.581 175.687 176.300 -0.054 0.000 1.167 228 R CA -0.877 55.195 56.100 -0.046 0.000 1.000 228 R CB 1.854 32.131 30.300 -0.038 0.000 1.229 228 R HN 0.634 nan 8.270 nan 0.000 0.416 229 R N 3.042 123.527 120.500 -0.025 0.000 2.458 229 R HA 0.047 4.387 4.340 -0.000 0.000 0.303 229 R C 0.952 177.235 176.300 -0.028 0.000 1.013 229 R CA 0.359 56.445 56.100 -0.023 0.000 1.026 229 R CB 0.486 30.793 30.300 0.012 0.000 0.948 229 R HN 0.660 nan 8.270 nan 0.000 0.417 230 I N 1.640 122.182 120.570 -0.047 0.000 2.729 230 I HA 0.092 4.262 4.170 -0.000 0.000 0.256 230 I C -0.232 175.873 176.117 -0.021 0.000 1.115 230 I CA 0.496 61.773 61.300 -0.038 0.000 1.446 230 I CB 0.474 38.438 38.000 -0.059 0.000 1.176 230 I HN 0.506 nan 8.210 nan 0.000 0.446 231 E N 0.534 120.721 120.200 -0.022 0.000 2.308 231 E HA 0.270 4.620 4.350 -0.000 0.000 0.275 231 E C -1.189 175.412 176.600 0.003 0.000 0.890 231 E CA -0.719 55.677 56.400 -0.006 0.000 0.754 231 E CB 1.628 31.322 29.700 -0.010 0.000 1.207 231 E HN 0.054 nan 8.360 nan 0.000 0.426 232 T N 4.858 119.426 114.554 0.023 0.000 2.840 232 T HA 0.147 4.497 4.350 -0.000 0.000 0.276 232 T C 0.476 175.193 174.700 0.028 0.000 0.912 232 T CA -0.541 61.588 62.100 0.048 0.000 1.116 232 T CB -0.228 68.684 68.868 0.074 0.000 0.895 232 T HN 0.307 nan 8.240 nan 0.000 0.570 233 L N 3.066 124.280 121.223 -0.014 0.000 2.667 233 L HA 0.093 4.433 4.340 -0.000 0.000 0.278 233 L C 1.003 177.870 176.870 -0.004 0.000 1.217 233 L CA 0.691 55.511 54.840 -0.035 0.000 0.935 233 L CB -0.893 41.108 42.059 -0.097 0.000 1.193 233 L HN 0.752 nan 8.230 nan 0.000 0.493 234 K N 1.936 122.340 120.400 0.007 0.000 2.144 234 K HA 0.510 4.830 4.320 -0.000 0.000 0.270 234 K C 0.463 177.072 176.600 0.015 0.000 1.005 234 K CA 0.147 56.447 56.287 0.023 0.000 0.932 234 K CB 0.392 32.904 32.500 0.019 0.000 1.021 234 K HN 0.768 nan 8.250 nan 0.000 0.462 235 D N -0.129 120.289 120.400 0.029 0.000 2.563 235 D HA 0.443 5.083 4.640 -0.000 0.000 0.237 235 D C 1.333 177.647 176.300 0.023 0.000 1.282 235 D CA 1.137 55.151 54.000 0.025 0.000 0.816 235 D CB -0.271 40.554 40.800 0.041 0.000 1.066 235 D HN 1.598 nan 8.370 nan 0.000 0.501 236 G N -0.122 108.690 108.800 0.020 0.000 3.078 236 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.227 236 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.227 236 G C 1.801 176.713 174.900 0.020 0.000 1.306 236 G CA 1.636 46.745 45.100 0.016 0.000 0.841 236 G HN 1.116 nan 8.290 nan 0.000 0.530 237 T N 0.117 114.686 114.554 0.026 0.000 2.590 237 T HA 0.125 4.475 4.350 -0.000 0.000 0.257 237 T C 1.803 176.522 174.700 0.032 0.000 1.080 237 T CA 2.952 65.068 62.100 0.027 0.000 1.180 237 T CB -0.197 68.690 68.868 0.031 0.000 0.865 237 T HN 0.780 nan 8.240 nan 0.000 0.403 238 D N -0.583 119.845 120.400 0.047 0.000 1.927 238 D HA 0.385 5.025 4.640 -0.000 0.000 0.390 238 D C 0.078 176.434 176.300 0.093 0.000 1.045 238 D CA 0.428 54.461 54.000 0.054 0.000 0.947 238 D CB 0.158 40.981 40.800 0.038 0.000 1.818 238 D HN 0.661 nan 8.370 nan 0.000 0.543 239 A N 0.258 123.160 122.820 0.138 0.000 2.594 239 A HA 0.511 4.831 4.320 -0.000 0.000 0.301 239 A C -0.188 177.571 177.584 0.292 0.000 1.022 239 A CA -0.171 52.014 52.037 0.248 0.000 0.738 239 A CB 0.803 20.055 19.000 0.420 0.000 1.263 239 A HN 0.413 nan 8.150 nan 0.000 0.409 240 V N -0.986 118.965 119.914 0.062 0.000 3.484 240 V HA 0.745 4.865 4.120 -0.000 0.000 0.252 240 V C 0.926 176.619 176.094 -0.668 0.000 1.282 240 V CA 1.194 63.441 62.300 -0.089 0.000 1.104 240 V CB -0.074 31.707 31.823 -0.070 0.000 0.868 240 V HN 2.323 nan 8.190 nan 0.000 0.457 241 G N 0.249 108.381 108.800 -1.112 0.000 2.539 241 G HA2 0.434 4.394 3.960 -0.000 0.000 0.138 241 G HA3 0.434 4.394 3.960 -0.000 0.000 0.138 241 G C -2.105 172.410 174.900 -0.641 0.000 1.148 241 G CA -0.184 44.091 45.100 -1.374 0.000 1.057 241 G HN 0.398 nan 8.290 nan 0.000 0.511 242 N N -1.043 117.500 118.700 -0.262 0.000 2.610 242 N HA 0.675 5.415 4.740 -0.000 0.000 0.264 242 N C -1.179 174.307 175.510 -0.040 0.000 1.348 242 N CA -0.800 52.205 53.050 -0.075 0.000 0.819 242 N CB 2.076 40.572 38.487 0.016 0.000 1.521 242 N HN 0.508 nan 8.380 nan 0.000 0.497 243 R N 0.159 120.635 120.500 -0.041 0.000 2.215 243 R HA 0.536 4.876 4.340 -0.000 0.000 0.336 243 R C -1.136 175.089 176.300 -0.125 0.000 0.996 243 R CA -0.130 55.928 56.100 -0.070 0.000 0.847 243 R CB 0.291 30.553 30.300 -0.062 0.000 1.127 243 R HN 0.594 nan 8.270 nan 0.000 0.465 244 T N 4.243 118.648 114.554 -0.249 0.000 2.829 244 T HA 0.424 4.774 4.350 -0.000 0.000 0.282 244 T C -0.556 173.781 174.700 -0.605 0.000 0.990 244 T CA -0.596 61.271 62.100 -0.388 0.000 1.028 244 T CB 1.016 69.652 68.868 -0.387 0.000 0.951 244 T HN 0.424 nan 8.240 nan 0.000 0.460 245 R N 2.061 122.335 120.500 -0.376 0.000 2.562 245 R HA 0.687 5.027 4.340 -0.000 0.000 0.298 245 R C -1.802 174.350 176.300 -0.246 0.000 0.961 245 R CA -0.566 55.351 56.100 -0.305 0.000 0.881 245 R CB 1.038 31.239 30.300 -0.164 0.000 1.159 245 R HN 0.442 nan 8.270 nan 0.000 0.450 246 V N 4.543 124.336 119.914 -0.202 0.000 2.483 246 V HA 0.343 4.463 4.120 -0.000 0.000 0.297 246 V C -0.542 175.514 176.094 -0.063 0.000 1.027 246 V CA -0.799 61.438 62.300 -0.106 0.000 0.855 246 V CB 1.687 33.501 31.823 -0.014 0.000 0.995 246 V HN 0.709 nan 8.190 nan 0.000 0.424 247 K N 3.423 123.781 120.400 -0.070 0.000 2.316 247 K HA 0.479 4.799 4.320 -0.000 0.000 0.267 247 K C -0.535 176.035 176.600 -0.049 0.000 1.025 247 K CA -0.491 55.776 56.287 -0.032 0.000 0.896 247 K CB 1.772 34.267 32.500 -0.009 0.000 1.124 247 K HN 0.546 nan 8.250 nan 0.000 0.451 248 V N 7.455 127.348 119.914 -0.035 0.000 2.302 248 V HA 0.002 4.122 4.120 -0.000 0.000 0.244 248 V C 0.871 176.886 176.094 -0.132 0.000 1.160 248 V CA 0.046 62.307 62.300 -0.065 0.000 1.127 248 V CB 0.256 32.051 31.823 -0.046 0.000 1.253 248 V HN 0.635 nan 8.190 nan 0.000 0.496 249 V N 3.205 123.048 119.914 -0.119 0.000 3.510 249 V HA 0.312 4.432 4.120 -0.000 0.000 0.270 249 V C 0.657 176.534 176.094 -0.362 0.000 1.201 249 V CA 1.050 63.236 62.300 -0.191 0.000 1.166 249 V CB -1.098 30.734 31.823 0.014 0.000 0.825 249 V HN 0.854 nan 8.190 nan 0.000 0.484 250 K N 1.028 121.259 120.400 -0.281 0.000 2.587 250 K HA 0.320 4.640 4.320 -0.000 0.000 0.256 250 K C -1.581 174.925 176.600 -0.156 0.000 0.974 250 K CA -0.345 55.795 56.287 -0.244 0.000 0.855 250 K CB 1.233 33.659 32.500 -0.123 0.000 1.292 250 K HN 0.118 nan 8.250 nan 0.000 0.444 251 N N 4.514 123.124 118.700 -0.149 0.000 2.750 251 N HA 0.122 4.862 4.740 -0.000 0.000 0.253 251 N C -0.310 175.177 175.510 -0.038 0.000 1.408 251 N CA -0.340 52.665 53.050 -0.076 0.000 0.780 251 N CB 0.936 39.379 38.487 -0.074 0.000 1.191 251 N HN 0.573 nan 8.380 nan 0.000 0.511 252 K N 0.153 120.541 120.400 -0.020 0.000 2.589 252 K HA -0.049 4.271 4.320 -0.000 0.000 0.195 252 K C 1.326 177.933 176.600 0.012 0.000 1.040 252 K CA 0.514 56.801 56.287 0.001 0.000 0.950 252 K CB 0.194 32.700 32.500 0.011 0.000 0.781 252 K HN 0.326 nan 8.250 nan 0.000 0.486 253 V N -0.649 119.271 119.914 0.009 0.000 3.212 253 V HA 0.006 4.126 4.120 -0.000 0.000 0.244 253 V C 0.810 176.914 176.094 0.016 0.000 1.151 253 V CA 1.091 63.401 62.300 0.016 0.000 1.119 253 V CB 0.509 32.342 31.823 0.017 0.000 0.838 253 V HN 0.358 nan 8.190 nan 0.000 0.470 254 S N 0.590 116.297 115.700 0.012 0.000 2.998 254 S HA 0.662 5.132 4.470 -0.000 0.000 0.323 254 S C -3.085 171.526 174.600 0.017 0.000 1.141 254 S CA -1.335 56.876 58.200 0.019 0.000 0.873 254 S CB 1.343 64.555 63.200 0.021 0.000 1.315 254 S HN 0.249 nan 8.310 nan 0.000 0.637 255 P HA 0.438 nan 4.420 nan 0.000 0.278 255 P C -2.637 174.673 177.300 0.017 0.000 1.238 255 P CA -1.321 61.804 63.100 0.041 0.000 0.794 255 P CB 0.633 32.373 31.700 0.067 0.000 0.955 256 P HA 0.268 nan 4.420 nan 0.000 0.306 256 P C -0.133 177.142 177.300 -0.042 0.000 1.309 256 P CA -0.434 62.556 63.100 -0.183 0.000 0.759 256 P CB 0.447 31.849 31.700 -0.498 0.000 1.314 257 F N -4.886 115.078 119.950 0.023 0.000 2.794 257 F HA -0.219 4.308 4.527 -0.000 0.000 0.335 257 F C 0.866 176.676 175.800 0.017 0.000 0.653 257 F CA 0.916 58.928 58.000 0.019 0.000 1.266 257 F CB -2.512 36.499 39.000 0.019 0.000 1.666 257 F HN 0.228 nan 8.300 nan 0.000 0.314 258 K N 0.426 120.901 120.400 0.124 0.000 2.386 258 K HA 0.581 4.901 4.320 -0.000 0.000 0.249 258 K C 0.302 176.941 176.600 0.065 0.000 1.055 258 K CA 0.121 56.464 56.287 0.092 0.000 0.930 258 K CB 0.455 32.995 32.500 0.066 0.000 1.230 258 K HN 0.347 nan 8.250 nan 0.000 0.507 259 Q N -1.346 118.484 119.800 0.050 0.000 2.686 259 Q HA 0.623 4.963 4.340 -0.000 0.000 0.266 259 Q C -2.118 173.895 176.000 0.021 0.000 0.965 259 Q CA -1.084 54.734 55.803 0.026 0.000 0.894 259 Q CB 1.319 30.068 28.738 0.018 0.000 1.583 259 Q HN 0.540 nan 8.270 nan 0.000 0.405 260 A N 1.566 124.388 122.820 0.004 0.000 2.566 260 A HA 0.859 5.179 4.320 -0.000 0.000 0.292 260 A C -1.400 176.133 177.584 -0.086 0.000 1.112 260 A CA -0.653 51.387 52.037 0.006 0.000 0.707 260 A CB 2.125 21.164 19.000 0.064 0.000 1.302 260 A HN 0.747 nan 8.150 nan 0.000 0.409 261 E N -0.681 119.461 120.200 -0.097 0.000 2.359 261 E HA 0.768 5.118 4.350 -0.000 0.000 0.266 261 E C -1.485 175.028 176.600 -0.146 0.000 0.920 261 E CA -0.468 55.765 56.400 -0.280 0.000 0.788 261 E CB 2.307 31.897 29.700 -0.182 0.000 1.279 261 E HN 0.623 nan 8.360 nan 0.000 0.438 262 F N -1.889 118.046 119.950 -0.025 0.000 2.779 262 F HA 0.488 5.015 4.527 0.000 0.000 0.316 262 F C -1.370 174.408 175.800 -0.036 0.000 1.164 262 F CA -1.278 56.700 58.000 -0.037 0.000 0.924 262 F CB 0.937 39.911 39.000 -0.042 0.000 1.348 262 F HN 0.091 nan 8.300 nan 0.000 0.467 263 D N 1.735 122.299 120.400 0.274 0.000 2.303 263 D HA 0.451 5.091 4.640 -0.000 0.000 0.236 263 D C -0.597 175.795 176.300 0.155 0.000 1.068 263 D CA 0.028 54.111 54.000 0.139 0.000 0.830 263 D CB 2.405 43.221 40.800 0.027 0.000 1.109 263 D HN 0.517 nan 8.370 nan 0.000 0.496 264 I N 4.111 124.763 120.570 0.137 0.000 2.313 264 I HA 0.074 4.244 4.170 -0.000 0.000 0.286 264 I C -0.214 175.888 176.117 -0.025 0.000 1.091 264 I CA -0.663 60.707 61.300 0.116 0.000 1.216 264 I CB 0.621 38.740 38.000 0.198 0.000 1.434 264 I HN 0.082 nan 8.210 nan 0.000 0.487 265 L N 6.139 127.338 121.223 -0.040 0.000 2.416 265 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 265 L C 0.048 176.907 176.870 -0.018 0.000 1.161 265 L CA -0.132 54.628 54.840 -0.135 0.000 0.845 265 L CB -0.466 41.556 42.059 -0.062 0.000 1.119 265 L HN 0.316 nan 8.230 nan 0.000 0.464 266 Y N 1.473 121.821 120.300 0.080 0.000 2.810 266 Y HA 0.217 4.767 4.550 -0.000 0.000 0.332 266 Y C 1.627 177.588 175.900 0.102 0.000 1.243 266 Y CA 0.714 58.856 58.100 0.070 0.000 1.537 266 Y CB -0.342 38.135 38.460 0.028 0.000 1.265 266 Y HN 0.871 nan 8.280 nan 0.000 0.572 267 G N 2.326 111.317 108.800 0.319 0.000 2.212 267 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.267 267 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.267 267 G C 0.733 175.778 174.900 0.241 0.000 1.002 267 G CA 1.015 46.291 45.100 0.293 0.000 0.729 267 G HN 0.713 nan 8.290 nan 0.000 0.517 268 Q N -2.047 117.886 119.800 0.221 0.000 2.330 268 Q HA 0.456 4.796 4.340 -0.000 0.000 0.254 268 Q C 1.348 177.356 176.000 0.013 0.000 0.777 268 Q CA 1.169 57.018 55.803 0.077 0.000 0.972 268 Q CB 0.868 29.640 28.738 0.055 0.000 1.236 268 Q HN 1.857 nan 8.270 nan 0.000 0.508 269 G N 1.094 109.945 108.800 0.087 0.000 2.582 269 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.222 269 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.222 269 G C -0.594 174.387 174.900 0.134 0.000 1.311 269 G CA -0.415 44.724 45.100 0.064 0.000 0.915 269 G HN 0.201 nan 8.290 nan 0.000 0.528 270 I N 1.244 121.952 120.570 0.230 0.000 2.668 270 I HA 0.210 4.380 4.170 -0.000 0.000 0.285 270 I C 1.274 177.341 176.117 -0.084 0.000 1.168 270 I CA 0.524 61.806 61.300 -0.029 0.000 1.424 270 I CB 1.066 38.850 38.000 -0.359 0.000 1.377 270 I HN 0.502 nan 8.210 nan 0.000 0.560 271 S N 6.790 122.458 115.700 -0.054 0.000 2.455 271 S HA 0.112 4.582 4.470 -0.000 0.000 0.278 271 S C 1.245 175.785 174.600 -0.100 0.000 1.216 271 S CA -0.468 57.693 58.200 -0.065 0.000 1.055 271 S CB 0.397 63.572 63.200 -0.040 0.000 0.939 271 S HN 0.684 nan 8.310 nan 0.000 0.494 272 R N 3.745 124.172 120.500 -0.122 0.000 2.070 272 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 272 R C 1.433 177.665 176.300 -0.113 0.000 1.138 272 R CA 2.077 58.096 56.100 -0.135 0.000 0.936 272 R CB -0.375 29.844 30.300 -0.136 0.000 0.839 272 R HN 0.610 nan 8.270 nan 0.000 0.429 273 E N 0.016 120.154 120.200 -0.102 0.000 2.049 273 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 273 E C 1.907 178.445 176.600 -0.103 0.000 1.007 273 E CA 1.651 57.990 56.400 -0.100 0.000 0.809 273 E CB -0.870 28.779 29.700 -0.086 0.000 0.749 273 E HN 0.639 nan 8.360 nan 0.000 0.450 274 G N -0.236 108.509 108.800 -0.090 0.000 2.442 274 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 274 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 274 G C 1.828 176.679 174.900 -0.082 0.000 1.141 274 G CA 1.146 46.191 45.100 -0.091 0.000 0.763 274 G HN 0.313 nan 8.290 nan 0.000 0.554 275 S N -0.450 115.210 115.700 -0.066 0.000 2.461 275 S HA 0.107 4.577 4.470 -0.000 0.000 0.228 275 S C 2.237 176.788 174.600 -0.082 0.000 1.005 275 S CA 0.023 58.192 58.200 -0.051 0.000 0.942 275 S CB -0.094 63.080 63.200 -0.043 0.000 0.776 275 S HN 0.157 nan 8.310 nan 0.000 0.514 276 L N 0.916 122.075 121.223 -0.107 0.000 2.056 276 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 276 L C 1.985 178.790 176.870 -0.108 0.000 1.078 276 L CA 1.341 56.106 54.840 -0.125 0.000 0.749 276 L CB -1.286 40.688 42.059 -0.142 0.000 0.901 276 L HN 0.306 nan 8.230 nan 0.000 0.433 277 I N 0.305 120.800 120.570 -0.125 0.000 2.058 277 I HA -0.312 3.858 4.170 -0.000 0.000 0.235 277 I C 2.349 178.427 176.117 -0.065 0.000 1.053 277 I CA 1.463 62.672 61.300 -0.152 0.000 1.313 277 I CB -0.695 37.110 38.000 -0.325 0.000 1.039 277 I HN 0.253 nan 8.210 nan 0.000 0.396 278 D N 0.199 120.563 120.400 -0.061 0.000 2.191 278 D HA -0.241 4.399 4.640 -0.000 0.000 0.190 278 D C 2.169 178.496 176.300 0.045 0.000 1.007 278 D CA 1.694 55.697 54.000 0.005 0.000 0.865 278 D CB -0.252 40.548 40.800 0.000 0.000 0.929 278 D HN 0.259 nan 8.370 nan 0.000 0.447 279 M N 0.017 119.616 119.600 -0.001 0.000 2.123 279 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 279 M C 2.585 178.929 176.300 0.074 0.000 1.069 279 M CA 1.101 56.383 55.300 -0.031 0.000 1.133 279 M CB -1.669 30.835 32.600 -0.161 0.000 1.356 279 M HN -0.002 nan 8.290 nan 0.000 0.415 280 G N 0.471 109.305 108.800 0.057 0.000 2.499 280 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.221 280 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.221 280 G C 1.568 176.639 174.900 0.285 0.000 1.109 280 G CA 1.590 46.793 45.100 0.172 0.000 0.749 280 G HN 0.456 nan 8.290 nan 0.000 0.568 281 V N -2.714 117.337 119.914 0.228 0.000 2.690 281 V HA 0.278 4.398 4.120 -0.000 0.000 0.240 281 V C 2.104 178.335 176.094 0.227 0.000 1.078 281 V CA 1.403 63.844 62.300 0.237 0.000 1.102 281 V CB -0.371 31.597 31.823 0.241 0.000 0.800 281 V HN 0.296 nan 8.190 nan 0.000 0.479 282 E N 0.152 120.497 120.200 0.242 0.000 2.396 282 E HA -0.248 4.102 4.350 -0.000 0.000 0.200 282 E C 1.031 177.809 176.600 0.296 0.000 1.023 282 E CA 1.349 57.898 56.400 0.249 0.000 0.857 282 E CB -0.066 29.798 29.700 0.274 0.000 0.775 282 E HN 0.865 nan 8.360 nan 0.000 0.525 283 H N -1.974 117.188 119.070 0.153 0.000 2.512 283 H HA 0.272 4.828 4.556 -0.000 0.000 0.276 283 H C 0.919 176.262 175.328 0.025 0.000 1.126 283 H CA 0.356 56.499 56.048 0.159 0.000 1.060 283 H CB 0.971 30.963 29.762 0.382 0.000 1.646 283 H HN 0.253 nan 8.280 nan 0.000 0.571 284 G N 0.525 109.408 108.800 0.139 0.000 2.300 284 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.267 284 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.267 284 G C 1.043 175.990 174.900 0.078 0.000 0.980 284 G CA 1.074 46.202 45.100 0.047 0.000 0.635 284 G HN 0.474 nan 8.290 nan 0.000 0.552 285 F N 0.489 120.552 119.950 0.189 0.000 2.529 285 F HA 0.250 4.777 4.527 -0.000 0.000 0.297 285 F C 1.466 177.462 175.800 0.326 0.000 1.114 285 F CA 0.897 59.044 58.000 0.245 0.000 1.467 285 F CB 0.023 39.158 39.000 0.226 0.000 1.096 285 F HN 0.169 nan 8.300 nan 0.000 0.586 286 I N -0.037 120.774 120.570 0.402 0.000 2.500 286 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 286 I C -0.377 175.907 176.117 0.278 0.000 1.063 286 I CA -0.697 60.825 61.300 0.369 0.000 1.062 286 I CB 1.731 39.919 38.000 0.312 0.000 1.223 286 I HN -0.242 nan 8.210 nan 0.000 0.435 287 R N 4.307 124.944 120.500 0.229 0.000 2.297 287 R HA 0.575 4.915 4.340 -0.000 0.000 0.308 287 R C -0.029 176.354 176.300 0.139 0.000 1.029 287 R CA -0.606 55.585 56.100 0.150 0.000 0.929 287 R CB 1.278 31.631 30.300 0.089 0.000 1.046 287 R HN 0.604 nan 8.270 nan 0.000 0.461 288 K N 0.930 121.380 120.400 0.084 0.000 2.234 288 K HA 0.197 4.517 4.320 -0.000 0.000 0.277 288 K C 0.152 176.717 176.600 -0.060 0.000 1.038 288 K CA -0.539 55.706 56.287 -0.070 0.000 0.888 288 K CB 1.231 33.642 32.500 -0.150 0.000 1.091 288 K HN 0.642 nan 8.250 nan 0.000 0.467 289 S N 1.131 116.804 115.700 -0.044 0.000 2.618 289 S HA 0.423 4.893 4.470 -0.000 0.000 0.242 289 S C 0.787 175.398 174.600 0.018 0.000 0.972 289 S CA 0.103 58.303 58.200 0.001 0.000 1.004 289 S CB -0.273 62.934 63.200 0.012 0.000 0.778 289 S HN 1.829 nan 8.310 nan 0.000 0.459 290 G N 1.066 109.829 108.800 -0.061 0.000 2.956 290 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.263 290 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.263 290 G C 0.373 175.213 174.900 -0.100 0.000 1.090 290 G CA -0.258 44.809 45.100 -0.055 0.000 1.185 290 G HN 0.538 nan 8.290 nan 0.000 0.566 291 S N -2.369 113.150 115.700 -0.303 0.000 2.427 291 S HA -0.216 4.254 4.470 -0.000 0.000 0.253 291 S C 0.686 174.961 174.600 -0.542 0.000 1.246 291 S CA 1.747 59.708 58.200 -0.399 0.000 1.421 291 S CB -1.399 61.654 63.200 -0.245 0.000 1.769 291 S HN 1.251 nan 8.310 nan 0.000 0.620 292 W N 2.149 123.200 121.300 -0.414 0.000 2.295 292 W HA 0.622 5.281 4.660 -0.000 0.000 0.333 292 W C -0.455 175.872 176.519 -0.320 0.000 0.990 292 W CA -0.648 56.539 57.345 -0.263 0.000 1.453 292 W CB 0.225 29.602 29.460 -0.139 0.000 1.263 292 W HN 0.075 nan 8.180 nan 0.000 0.380 293 F N 2.536 122.625 119.950 0.232 0.000 2.438 293 F HA 0.304 4.831 4.527 -0.000 0.000 0.356 293 F C 0.953 176.869 175.800 0.193 0.000 1.099 293 F CA -0.137 57.967 58.000 0.173 0.000 1.185 293 F CB 0.931 39.998 39.000 0.112 0.000 1.115 293 F HN -0.056 nan 8.300 nan 0.000 0.526 294 T N 4.001 118.732 114.554 0.296 0.000 2.848 294 T HA 0.355 4.705 4.350 -0.000 0.000 0.285 294 T C -1.614 173.256 174.700 0.284 0.000 0.995 294 T CA -0.499 61.735 62.100 0.223 0.000 0.970 294 T CB 0.378 69.310 68.868 0.107 0.000 0.976 294 T HN 0.381 nan 8.240 nan 0.000 0.441 295 Y N 4.887 125.259 120.300 0.118 0.000 2.330 295 Y HA 0.314 4.864 4.550 -0.000 0.000 0.336 295 Y C 0.494 176.450 175.900 0.094 0.000 1.036 295 Y CA -1.854 56.324 58.100 0.130 0.000 1.125 295 Y CB 0.684 39.237 38.460 0.154 0.000 1.194 295 Y HN 0.848 nan 8.280 nan 0.000 0.469 296 E N 4.479 124.478 120.200 -0.334 0.000 1.171 296 E HA -0.139 4.211 4.350 -0.000 0.000 0.344 296 E C 0.983 177.476 176.600 -0.177 0.000 0.544 296 E CA 0.879 57.107 56.400 -0.287 0.000 1.283 296 E CB -1.219 28.249 29.700 -0.387 0.000 0.485 296 E HN 1.059 nan 8.360 nan 0.000 0.366 297 G N 2.237 110.985 108.800 -0.086 0.000 3.594 297 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.285 297 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.285 297 G C 0.371 175.246 174.900 -0.041 0.000 1.551 297 G CA 0.588 45.651 45.100 -0.061 0.000 1.061 297 G HN 1.297 nan 8.290 nan 0.000 0.624 298 E N 2.531 122.717 120.200 -0.024 0.000 2.529 298 E HA 0.425 4.775 4.350 -0.000 0.000 0.259 298 E C 0.937 177.541 176.600 0.006 0.000 0.966 298 E CA 1.229 57.624 56.400 -0.008 0.000 0.937 298 E CB -0.429 29.292 29.700 0.035 0.000 0.923 298 E HN 1.195 nan 8.360 nan 0.000 0.468 299 Q N 1.348 121.122 119.800 -0.043 0.000 2.299 299 Q HA 0.484 4.824 4.340 -0.000 0.000 0.246 299 Q C 0.108 176.053 176.000 -0.093 0.000 0.935 299 Q CA -0.895 54.904 55.803 -0.006 0.000 0.887 299 Q CB 1.187 29.894 28.738 -0.052 0.000 1.223 299 Q HN 0.456 nan 8.270 nan 0.000 0.439 300 L N 1.181 122.396 121.223 -0.014 0.000 1.995 300 L HA 0.296 4.636 4.340 -0.000 0.000 0.206 300 L C 1.038 177.727 176.870 -0.302 0.000 1.098 300 L CA 2.215 56.893 54.840 -0.270 0.000 0.762 300 L CB -0.957 41.177 42.059 0.124 0.000 0.900 300 L HN 0.984 nan 8.230 nan 0.000 0.441 301 G N -2.341 106.520 108.800 0.102 0.000 2.706 301 G HA2 0.433 4.393 3.960 -0.000 0.000 0.307 301 G HA3 0.433 4.393 3.960 -0.000 0.000 0.307 301 G C -1.471 173.349 174.900 -0.133 0.000 1.307 301 G CA -0.379 44.765 45.100 0.074 0.000 0.790 301 G HN 0.013 nan 8.290 nan 0.000 0.503 302 Q N -0.057 119.411 119.800 -0.553 0.000 2.798 302 Q HA 0.527 4.867 4.340 -0.000 0.000 0.250 302 Q C -0.337 175.399 176.000 -0.439 0.000 1.006 302 Q CA -0.060 55.110 55.803 -1.055 0.000 0.759 302 Q CB 0.559 28.172 28.738 -1.875 0.000 1.201 302 Q HN 1.710 nan 8.270 nan 0.000 0.486 303 G N 2.285 111.016 108.800 -0.116 0.000 2.521 303 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.589 303 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.589 303 G C -0.211 174.799 174.900 0.184 0.000 1.501 303 G CA -0.249 44.875 45.100 0.040 0.000 0.887 303 G HN 0.500 nan 8.290 nan 0.000 0.654 304 K N 0.378 120.913 120.400 0.225 0.000 2.052 304 K HA -0.224 4.096 4.320 -0.000 0.000 0.215 304 K C 1.965 178.517 176.600 -0.080 0.000 1.053 304 K CA 2.490 58.752 56.287 -0.040 0.000 0.934 304 K CB -0.080 32.396 32.500 -0.040 0.000 0.717 304 K HN 0.426 nan 8.250 nan 0.000 0.450 305 E N 0.218 120.401 120.200 -0.028 0.000 2.274 305 E HA -0.110 4.239 4.350 -0.000 0.000 0.194 305 E C 1.480 178.075 176.600 -0.008 0.000 0.996 305 E CA 0.916 57.300 56.400 -0.027 0.000 0.840 305 E CB -0.075 29.615 29.700 -0.017 0.000 0.772 305 E HN 0.377 nan 8.360 nan 0.000 0.491 306 N N -0.538 118.161 118.700 -0.002 0.000 2.216 306 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 306 N C 1.457 177.000 175.510 0.055 0.000 1.017 306 N CA 1.314 54.368 53.050 0.006 0.000 0.861 306 N CB -0.129 38.326 38.487 -0.054 0.000 0.986 306 N HN 0.192 nan 8.380 nan 0.000 0.428 307 A N 0.351 123.200 122.820 0.048 0.000 1.968 307 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 307 A C 2.184 179.816 177.584 0.081 0.000 1.169 307 A CA 0.838 52.922 52.037 0.079 0.000 0.638 307 A CB -0.309 18.660 19.000 -0.051 0.000 0.812 307 A HN 0.250 nan 8.150 nan 0.000 0.446 308 R N -0.382 120.115 120.500 -0.005 0.000 2.061 308 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 308 R C 2.699 179.012 176.300 0.023 0.000 1.140 308 R CA 1.884 57.974 56.100 -0.018 0.000 0.940 308 R CB -0.511 29.761 30.300 -0.047 0.000 0.839 308 R HN 0.499 nan 8.270 nan 0.000 0.429 309 K N 0.983 121.406 120.400 0.039 0.000 2.071 309 K HA -0.269 4.050 4.320 -0.000 0.000 0.217 309 K C 1.755 178.400 176.600 0.076 0.000 1.054 309 K CA 2.271 58.588 56.287 0.050 0.000 0.937 309 K CB -1.534 31.006 32.500 0.066 0.000 0.719 309 K HN 0.246 nan 8.250 nan 0.000 0.454 310 F N 0.985 120.934 119.950 -0.002 0.000 2.075 310 F HA -0.027 4.500 4.527 -0.000 0.000 0.297 310 F C 2.210 178.008 175.800 -0.004 0.000 1.113 310 F CA 1.798 59.806 58.000 0.014 0.000 1.218 310 F CB -0.208 38.819 39.000 0.044 0.000 0.984 310 F HN 0.122 nan 8.300 nan 0.000 0.472 311 L N -0.000 121.198 121.223 -0.041 0.000 2.191 311 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 311 L C 2.861 179.625 176.870 -0.177 0.000 1.103 311 L CA 0.964 55.710 54.840 -0.157 0.000 0.769 311 L CB -1.385 40.642 42.059 -0.052 0.000 0.908 311 L HN 0.372 nan 8.230 nan 0.000 0.438 312 L N 0.525 121.676 121.223 -0.120 0.000 2.017 312 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 312 L C 2.419 179.214 176.870 -0.125 0.000 1.073 312 L CA 2.424 57.203 54.840 -0.102 0.000 0.745 312 L CB -1.399 40.623 42.059 -0.061 0.000 0.894 312 L HN 0.561 nan 8.230 nan 0.000 0.432 313 E N -1.036 119.071 120.200 -0.155 0.000 2.478 313 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 313 E C -0.150 176.322 176.600 -0.214 0.000 1.045 313 E CA 0.311 56.620 56.400 -0.152 0.000 0.868 313 E CB -0.211 29.422 29.700 -0.110 0.000 0.885 313 E HN 0.734 nan 8.360 nan 0.000 0.505 314 N N 1.572 120.079 118.700 -0.322 0.000 2.898 314 N HA 0.037 4.777 4.740 -0.000 0.000 0.245 314 N C -0.057 175.316 175.510 -0.228 0.000 1.185 314 N CA -0.043 52.808 53.050 -0.332 0.000 0.879 314 N CB 1.596 39.709 38.487 -0.622 0.000 1.157 314 N HN 0.003 nan 8.380 nan 0.000 0.503 315 T N 1.335 115.798 114.554 -0.151 0.000 2.652 315 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 315 T C 1.451 176.090 174.700 -0.101 0.000 1.039 315 T CA 2.043 64.073 62.100 -0.116 0.000 1.153 315 T CB -0.048 68.768 68.868 -0.087 0.000 0.863 315 T HN 0.610 nan 8.240 nan 0.000 0.428 316 D N 1.357 121.709 120.400 -0.080 0.000 2.495 316 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 316 D C 2.088 178.364 176.300 -0.039 0.000 1.041 316 D CA 1.963 55.935 54.000 -0.046 0.000 0.890 316 D CB -1.407 39.377 40.800 -0.026 0.000 1.089 316 D HN 0.404 nan 8.370 nan 0.000 0.471 317 V N 1.859 121.756 119.914 -0.029 0.000 2.219 317 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 317 V C 2.839 178.869 176.094 -0.107 0.000 1.053 317 V CA 3.729 66.027 62.300 -0.003 0.000 1.009 317 V CB -1.202 30.669 31.823 0.079 0.000 0.636 317 V HN 0.513 nan 8.190 nan 0.000 0.445 318 A N 0.161 122.900 122.820 -0.134 0.000 1.929 318 A HA -0.369 3.951 4.320 -0.000 0.000 0.221 318 A C 2.075 179.567 177.584 -0.154 0.000 1.211 318 A CA 2.721 54.664 52.037 -0.156 0.000 0.657 318 A CB -1.198 17.714 19.000 -0.147 0.000 0.827 318 A HN 0.780 nan 8.150 nan 0.000 0.462 319 N N -0.931 117.697 118.700 -0.120 0.000 2.084 319 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 319 N C 1.905 177.349 175.510 -0.109 0.000 1.030 319 N CA 1.484 54.470 53.050 -0.107 0.000 0.849 319 N CB -0.326 38.114 38.487 -0.079 0.000 1.012 319 N HN 0.786 nan 8.380 nan 0.000 0.423 320 E N 0.963 121.114 120.200 -0.082 0.000 2.108 320 E HA -0.232 4.118 4.350 -0.000 0.000 0.203 320 E C 1.849 178.370 176.600 -0.132 0.000 1.022 320 E CA 1.430 57.800 56.400 -0.050 0.000 0.823 320 E CB -0.035 29.693 29.700 0.046 0.000 0.744 320 E HN 0.223 nan 8.360 nan 0.000 0.456 321 I N 1.326 121.748 120.570 -0.245 0.000 2.163 321 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 321 I C 2.625 178.555 176.117 -0.311 0.000 1.081 321 I CA 1.712 62.802 61.300 -0.349 0.000 1.353 321 I CB -0.613 37.155 38.000 -0.386 0.000 1.054 321 I HN 0.242 nan 8.210 nan 0.000 0.407 322 E N 1.442 121.505 120.200 -0.229 0.000 2.049 322 E HA -0.362 3.988 4.350 -0.000 0.000 0.198 322 E C 2.467 178.955 176.600 -0.187 0.000 1.007 322 E CA 2.514 58.797 56.400 -0.196 0.000 0.809 322 E CB -0.102 29.508 29.700 -0.151 0.000 0.749 322 E HN 0.419 nan 8.360 nan 0.000 0.450 323 K N 0.551 120.861 120.400 -0.151 0.000 2.020 323 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 323 K C 2.418 178.928 176.600 -0.149 0.000 1.050 323 K CA 2.842 59.059 56.287 -0.116 0.000 0.929 323 K CB -1.782 30.673 32.500 -0.075 0.000 0.714 323 K HN 0.393 nan 8.250 nan 0.000 0.443 324 K N 0.114 120.388 120.400 -0.210 0.000 2.032 324 K HA 0.104 4.424 4.320 -0.000 0.000 0.209 324 K C 2.740 179.023 176.600 -0.530 0.000 1.048 324 K CA 2.681 58.777 56.287 -0.318 0.000 0.927 324 K CB -1.758 30.505 32.500 -0.395 0.000 0.712 324 K HN 1.081 nan 8.250 nan 0.000 0.441 325 I N 1.153 121.356 120.570 -0.611 0.000 2.361 325 I HA -0.009 4.161 4.170 -0.000 0.000 0.251 325 I C 2.876 178.864 176.117 -0.214 0.000 1.133 325 I CA 2.988 63.984 61.300 -0.507 0.000 1.413 325 I CB -1.991 35.767 38.000 -0.404 0.000 1.073 325 I HN 0.693 nan 8.210 nan 0.000 0.424 326 K N 0.309 120.608 120.400 -0.168 0.000 2.062 326 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 326 K C 1.957 178.539 176.600 -0.029 0.000 1.051 326 K CA 1.299 57.537 56.287 -0.082 0.000 0.941 326 K CB -1.092 31.360 32.500 -0.078 0.000 0.719 326 K HN 0.823 nan 8.250 nan 0.000 0.440 327 E N 0.165 120.345 120.200 -0.033 0.000 2.160 327 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 327 E C 1.965 178.617 176.600 0.087 0.000 0.991 327 E CA 0.911 57.326 56.400 0.024 0.000 0.810 327 E CB 0.071 29.789 29.700 0.030 0.000 0.742 327 E HN 0.324 nan 8.360 nan 0.000 0.466 328 K N 0.367 120.849 120.400 0.137 0.000 2.555 328 K HA -0.029 4.291 4.320 -0.000 0.000 0.193 328 K C 1.140 177.858 176.600 0.197 0.000 1.032 328 K CA 0.458 56.904 56.287 0.265 0.000 1.004 328 K CB 0.307 33.153 32.500 0.577 0.000 0.804 328 K HN 0.155 nan 8.250 nan 0.000 0.496 329 L N -3.012 118.282 121.223 0.119 0.000 1.998 329 L HA 0.208 4.548 4.340 -0.000 0.000 0.194 329 L C 0.706 177.611 176.870 0.058 0.000 1.198 329 L CA 0.130 55.030 54.840 0.099 0.000 1.134 329 L CB 0.377 42.500 42.059 0.106 0.000 2.366 329 L HN 0.147 nan 8.230 nan 0.000 0.504 330 G N 0.000 108.820 108.800 0.034 0.000 5.446 330 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 330 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 330 G CA 0.000 45.112 45.100 0.020 0.000 0.502 330 G HN 0.000 nan 8.290 nan 0.000 0.925