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 1rm0_1_A DATA FIRST_RESID 9 DATA SEQUENCE ITSVKVVTDK CTYKDNELLT KYSYENAVVT KTASGRFDVT PTVQDYVFKL DATA SEQUENCE DLKKPEKLGI MLIGLGGNNG STLVASVLAN KHNVEFQTKE GVKQPNYFGS DATA SEQUENCE MTQCSTLKLG IDAEGNDVYA PFNSLLPMVS PNDFVVSGWD INNADLYEAM DATA SEQUENCE QRSQVLEYDL QQRLKAKMSL VKPLPSIYYP DFIAANQDER ANNCINLDEK DATA SEQUENCE GNVTTRGKWT HLQRIRRDIQ NFKEENALDK VIVLWTANTE RYVEVSPGVN DATA SEQUENCE DTMENLLQSI KNDHEEIAPS TIFAAASILE GVPYINGSPQ NTFVPGLVQL DATA SEQUENCE AEHEGTFIAG DDLKSGQTKL KSVLAQFLVD AGIKPVSIAS YNHLGNNDGY DATA SEQUENCE NLSAPKQFRS KEISKSSVID DIIASNDILY NDKLGKKVDH CIVIKYMKPV DATA SEQUENCE GDSKVAMDEY YSELMLGGHN RISIHNVCED SLLATPLIID LLVMTEFCTR DATA SEQUENCE VSYKKVDPVK EDAGKFENFY PVLTFLSYWL KAPLTRPGFH PVNGLNKQRT DATA SEQUENCE ALENFLRLLI GLPSQNELRF EERLL 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.121 176.117 0.006 0.000 1.063 9 I CA 0.000 61.304 61.300 0.006 0.000 1.566 9 I CB 0.000 38.002 38.000 0.004 0.000 1.214 10 T N 3.582 118.140 114.554 0.008 0.000 2.794 10 T HA 0.749 5.100 4.350 0.002 0.000 0.280 10 T C -0.126 174.574 174.700 0.000 0.000 0.987 10 T CA -0.576 61.527 62.100 0.006 0.000 0.993 10 T CB 1.499 70.374 68.868 0.012 0.000 0.939 10 T HN 0.748 nan 8.240 nan 0.000 0.449 11 S N 1.310 117.007 115.700 -0.005 0.000 2.570 11 S HA 0.790 5.261 4.470 0.002 0.000 0.270 11 S C -1.250 173.341 174.600 -0.014 0.000 1.149 11 S CA -0.823 57.372 58.200 -0.009 0.000 0.837 11 S CB 1.339 64.534 63.200 -0.008 0.000 1.124 11 S HN 0.438 nan 8.310 nan 0.000 0.465 12 V N 1.481 121.385 119.914 -0.017 0.000 2.604 12 V HA 0.778 4.899 4.120 0.002 0.000 0.305 12 V C -0.715 175.372 176.094 -0.012 0.000 1.043 12 V CA -0.653 61.635 62.300 -0.021 0.000 0.888 12 V CB 1.803 33.605 31.823 -0.035 0.000 0.995 12 V HN 0.988 nan 8.190 nan 0.000 0.429 13 K N 3.752 124.144 120.400 -0.013 0.000 2.507 13 K HA 0.577 4.898 4.320 0.002 0.000 0.253 13 K C -1.412 175.188 176.600 -0.000 0.000 0.969 13 K CA -0.332 55.949 56.287 -0.010 0.000 0.908 13 K CB 1.410 33.895 32.500 -0.025 0.000 1.127 13 K HN 0.418 nan 8.250 nan 0.000 0.437 14 V N 4.939 124.864 119.914 0.019 0.000 2.383 14 V HA 0.282 4.403 4.120 0.002 0.000 0.275 14 V C -0.143 175.973 176.094 0.035 0.000 1.036 14 V CA -1.025 61.287 62.300 0.021 0.000 0.889 14 V CB 1.566 33.403 31.823 0.023 0.000 0.985 14 V HN 0.495 nan 8.190 nan 0.000 0.459 15 V N 5.360 125.289 119.914 0.024 0.000 2.352 15 V HA 0.331 4.452 4.120 0.002 0.000 0.253 15 V C 0.488 176.605 176.094 0.038 0.000 1.083 15 V CA 0.608 62.925 62.300 0.029 0.000 0.993 15 V CB 0.433 32.266 31.823 0.018 0.000 1.111 15 V HN 1.010 nan 8.190 nan 0.000 0.490 16 T N 2.198 116.785 114.554 0.055 0.000 2.894 16 T HA 0.341 4.692 4.350 0.002 0.000 0.309 16 T C 0.212 174.955 174.700 0.071 0.000 1.208 16 T CA -0.350 61.785 62.100 0.059 0.000 1.016 16 T CB 1.774 70.680 68.868 0.064 0.000 1.192 16 T HN 0.755 nan 8.240 nan 0.000 0.491 17 D N 1.614 122.053 120.400 0.065 0.000 2.339 17 D HA 0.156 4.797 4.640 0.002 0.000 0.217 17 D C 1.129 177.475 176.300 0.076 0.000 1.050 17 D CA 0.161 54.201 54.000 0.067 0.000 0.856 17 D CB 0.191 41.023 40.800 0.054 0.000 0.922 17 D HN 0.472 nan 8.370 nan 0.000 0.518 18 K N -0.551 119.900 120.400 0.084 0.000 2.418 18 K HA 0.156 4.477 4.320 0.002 0.000 0.195 18 K C -0.225 176.432 176.600 0.096 0.000 1.035 18 K CA 0.140 56.486 56.287 0.099 0.000 1.003 18 K CB 0.287 32.858 32.500 0.117 0.000 0.793 18 K HN 0.178 nan 8.250 nan 0.000 0.494 19 C N 1.578 120.931 119.300 0.088 0.000 2.369 19 C HA 0.453 4.915 4.460 0.002 0.000 0.322 19 C C 0.247 175.295 174.990 0.097 0.000 1.258 19 C CA -0.967 58.088 59.018 0.062 0.000 1.487 19 C CB 1.073 28.860 27.740 0.079 0.000 2.165 19 C HN 0.362 nan 8.230 nan 0.000 0.483 20 T N 0.023 114.586 114.554 0.014 0.000 2.906 20 T HA 0.720 5.071 4.350 0.002 0.000 0.295 20 T C -1.402 173.276 174.700 -0.037 0.000 1.061 20 T CA -0.499 61.665 62.100 0.107 0.000 1.000 20 T CB 1.180 70.099 68.868 0.085 0.000 1.103 20 T HN 0.457 nan 8.240 nan 0.000 0.486 21 Y N 0.708 121.022 120.300 0.023 0.000 2.364 21 Y HA 0.690 5.241 4.550 0.002 0.000 0.340 21 Y C 0.360 176.265 175.900 0.009 0.000 0.975 21 Y CA -1.100 57.008 58.100 0.013 0.000 1.089 21 Y CB 2.044 40.509 38.460 0.008 0.000 1.192 21 Y HN 0.777 nan 8.280 nan 0.000 0.454 22 K N 3.432 123.890 120.400 0.096 0.000 2.690 22 K HA 0.260 4.581 4.320 0.002 0.000 0.243 22 K C -1.557 175.062 176.600 0.032 0.000 0.982 22 K CA -0.436 55.885 56.287 0.058 0.000 0.955 22 K CB 0.520 33.037 32.500 0.029 0.000 1.185 22 K HN 0.724 nan 8.250 nan 0.000 0.467 23 D N 3.949 124.375 120.400 0.043 0.000 2.848 23 D HA -0.183 4.458 4.640 0.002 0.000 0.245 23 D C -0.509 175.802 176.300 0.019 0.000 1.122 23 D CA 0.898 54.912 54.000 0.023 0.000 0.769 23 D CB -0.853 39.949 40.800 0.004 0.000 1.025 23 D HN 0.943 nan 8.370 nan 0.000 0.423 24 N N -0.292 118.436 118.700 0.046 0.000 2.708 24 N HA -0.228 4.513 4.740 0.002 0.000 0.251 24 N C -0.654 174.867 175.510 0.018 0.000 1.123 24 N CA 1.464 54.541 53.050 0.044 0.000 0.739 24 N CB -0.279 38.220 38.487 0.020 0.000 1.113 24 N HN 0.656 nan 8.380 nan 0.000 0.561 25 E N 0.159 120.361 120.200 0.004 0.000 2.256 25 E HA 0.364 4.715 4.350 0.002 0.000 0.268 25 E C -0.725 175.786 176.600 -0.148 0.000 0.877 25 E CA -0.831 55.526 56.400 -0.073 0.000 0.757 25 E CB 2.163 31.798 29.700 -0.108 0.000 1.183 25 E HN 0.078 nan 8.360 nan 0.000 0.418 26 L N 3.760 124.834 121.223 -0.247 0.000 2.295 26 L HA 0.454 4.795 4.340 0.002 0.000 0.285 26 L C -1.581 175.127 176.870 -0.270 0.000 1.035 26 L CA -0.280 54.259 54.840 -0.502 0.000 0.806 26 L CB 0.739 42.481 42.059 -0.529 0.000 1.214 26 L HN 0.492 nan 8.230 nan 0.000 0.426 27 L N 5.116 126.198 121.223 -0.235 0.000 2.333 27 L HA 0.631 4.972 4.340 0.002 0.000 0.280 27 L C -0.466 176.405 176.870 0.001 0.000 1.004 27 L CA -0.234 54.582 54.840 -0.040 0.000 0.820 27 L CB 1.991 44.058 42.059 0.013 0.000 1.247 27 L HN 0.640 nan 8.230 nan 0.000 0.416 28 T N 2.273 116.896 114.554 0.116 0.000 2.881 28 T HA 0.389 4.740 4.350 0.002 0.000 0.290 28 T C -0.547 174.313 174.700 0.267 0.000 1.000 28 T CA -0.872 61.320 62.100 0.154 0.000 0.978 28 T CB 1.791 70.734 68.868 0.124 0.000 0.997 28 T HN 0.344 nan 8.240 nan 0.000 0.443 29 K N 2.070 122.609 120.400 0.232 0.000 2.174 29 K HA 0.542 4.863 4.320 0.002 0.000 0.275 29 K C -1.302 175.529 176.600 0.385 0.000 1.015 29 K CA -0.751 55.694 56.287 0.263 0.000 0.933 29 K CB 1.006 33.606 32.500 0.167 0.000 1.025 29 K HN 0.599 nan 8.250 nan 0.000 0.463 30 Y N 0.245 120.717 120.300 0.287 0.000 2.442 30 Y HA 0.183 4.735 4.550 0.002 0.000 0.330 30 Y C -1.262 174.842 175.900 0.339 0.000 1.100 30 Y CA -0.707 57.584 58.100 0.319 0.000 1.034 30 Y CB 2.111 40.831 38.460 0.434 0.000 1.285 30 Y HN 0.541 nan 8.280 nan 0.000 0.440 31 S N 6.515 121.903 115.700 -0.521 0.000 2.448 31 S HA 0.317 4.788 4.470 0.002 0.000 0.320 31 S C -1.423 172.746 174.600 -0.718 0.000 1.071 31 S CA -0.369 57.600 58.200 -0.385 0.000 1.113 31 S CB -0.187 62.896 63.200 -0.194 0.000 0.972 31 S HN 0.602 nan 8.310 nan 0.000 0.465 32 Y N 4.336 124.401 120.300 -0.392 0.000 2.350 32 Y HA 0.439 4.990 4.550 0.002 0.000 0.340 32 Y C 0.047 175.955 175.900 0.013 0.000 1.006 32 Y CA -0.224 57.826 58.100 -0.083 0.000 1.166 32 Y CB 0.528 39.227 38.460 0.400 0.000 1.168 32 Y HN 0.592 nan 8.280 nan 0.000 0.502 33 E N 4.924 124.808 120.200 -0.526 0.000 2.212 33 E HA 0.326 4.677 4.350 0.002 0.000 0.268 33 E C -1.093 175.129 176.600 -0.630 0.000 0.902 33 E CA -1.008 55.120 56.400 -0.453 0.000 0.779 33 E CB 1.796 31.365 29.700 -0.217 0.000 1.172 33 E HN 0.671 nan 8.360 nan 0.000 0.409 34 N N 0.372 118.831 118.700 -0.402 0.000 3.526 34 N HA 0.730 5.472 4.740 0.002 0.000 0.328 34 N C -2.147 173.298 175.510 -0.109 0.000 1.601 34 N CA -0.409 52.490 53.050 -0.252 0.000 0.834 34 N CB 1.838 40.198 38.487 -0.212 0.000 1.983 34 N HN 0.495 nan 8.380 nan 0.000 0.579 35 A N -0.131 122.662 122.820 -0.045 0.000 2.577 35 A HA 0.551 4.872 4.320 0.002 0.000 0.297 35 A C -1.727 175.859 177.584 0.005 0.000 1.060 35 A CA -0.473 51.553 52.037 -0.020 0.000 0.697 35 A CB 0.750 19.736 19.000 -0.022 0.000 1.281 35 A HN 0.273 nan 8.150 nan 0.000 0.402 36 V N 2.050 121.971 119.914 0.012 0.000 2.394 36 V HA 0.570 4.691 4.120 0.002 0.000 0.282 36 V C -0.010 176.101 176.094 0.028 0.000 1.031 36 V CA -0.456 61.855 62.300 0.019 0.000 0.881 36 V CB 1.298 33.130 31.823 0.016 0.000 0.982 36 V HN 0.715 nan 8.190 nan 0.000 0.451 37 V N 3.844 123.782 119.914 0.040 0.000 2.667 37 V HA 0.796 4.917 4.120 0.002 0.000 0.308 37 V C 0.157 176.301 176.094 0.083 0.000 1.048 37 V CA -0.448 61.899 62.300 0.079 0.000 0.928 37 V CB 2.249 34.136 31.823 0.106 0.000 1.004 37 V HN 1.027 nan 8.190 nan 0.000 0.444 38 T N 0.352 114.964 114.554 0.096 0.000 2.909 38 T HA 0.622 4.974 4.350 0.002 0.000 0.299 38 T C -0.963 173.752 174.700 0.025 0.000 1.073 38 T CA -0.901 61.228 62.100 0.049 0.000 0.999 38 T CB 2.115 70.992 68.868 0.015 0.000 1.098 38 T HN 0.639 nan 8.240 nan 0.000 0.477 39 K N 1.947 122.313 120.400 -0.057 0.000 2.394 39 K HA 0.457 4.779 4.320 0.002 0.000 0.260 39 K C -0.347 176.139 176.600 -0.190 0.000 0.967 39 K CA -0.459 55.684 56.287 -0.241 0.000 0.855 39 K CB 1.103 33.414 32.500 -0.315 0.000 1.101 39 K HN 0.770 nan 8.250 nan 0.000 0.433 40 T N 2.540 116.975 114.554 -0.197 0.000 2.903 40 T HA 0.026 4.377 4.350 0.002 0.000 0.314 40 T C 1.562 176.184 174.700 -0.131 0.000 1.078 40 T CA 0.232 62.254 62.100 -0.130 0.000 1.114 40 T CB 1.308 70.112 68.868 -0.107 0.000 0.987 40 T HN 0.745 nan 8.240 nan 0.000 0.548 41 A N 2.827 125.595 122.820 -0.086 0.000 1.892 41 A HA -0.169 4.152 4.320 0.002 0.000 0.218 41 A C 2.544 180.080 177.584 -0.079 0.000 1.188 41 A CA 2.382 54.376 52.037 -0.072 0.000 0.631 41 A CB -1.343 17.628 19.000 -0.049 0.000 0.822 41 A HN 0.949 nan 8.150 nan 0.000 0.447 42 S N -1.348 114.308 115.700 -0.074 0.000 2.369 42 S HA 0.162 4.634 4.470 0.002 0.000 0.225 42 S C 1.529 176.074 174.600 -0.092 0.000 1.043 42 S CA 1.928 60.087 58.200 -0.068 0.000 1.074 42 S CB -0.853 62.313 63.200 -0.057 0.000 0.962 42 S HN 2.005 nan 8.310 nan 0.000 0.433 43 G N 0.460 109.174 108.800 -0.143 0.000 2.665 43 G HA2 0.017 3.978 3.960 0.002 0.000 0.220 43 G HA3 0.017 3.978 3.960 0.002 0.000 0.220 43 G C -0.198 174.533 174.900 -0.281 0.000 1.002 43 G CA -0.230 44.743 45.100 -0.212 0.000 0.893 43 G HN 0.653 nan 8.290 nan 0.000 0.586 44 R N -0.067 120.285 120.500 -0.248 0.000 2.486 44 R HA 0.742 5.083 4.340 0.002 0.000 0.286 44 R C -0.990 175.144 176.300 -0.276 0.000 0.999 44 R CA -0.736 55.261 56.100 -0.172 0.000 0.993 44 R CB 0.601 30.864 30.300 -0.061 0.000 1.084 44 R HN -0.047 nan 8.270 nan 0.000 0.487 45 F N 2.568 122.517 119.950 -0.002 0.000 2.385 45 F HA 0.248 4.777 4.527 0.002 0.000 0.360 45 F C -0.010 175.789 175.800 -0.003 0.000 1.122 45 F CA -0.515 57.484 58.000 -0.002 0.000 1.090 45 F CB 1.448 40.448 39.000 -0.001 0.000 1.150 45 F HN 0.292 nan 8.300 nan 0.000 0.472 46 D N 3.857 124.338 120.400 0.136 0.000 2.317 46 D HA 0.277 4.918 4.640 0.002 0.000 0.234 46 D C -0.578 175.775 176.300 0.088 0.000 1.112 46 D CA 0.024 54.074 54.000 0.083 0.000 0.840 46 D CB 2.239 43.062 40.800 0.038 0.000 1.078 46 D HN 0.118 nan 8.370 nan 0.000 0.486 47 V N 2.999 122.956 119.914 0.071 0.000 2.347 47 V HA 0.230 4.351 4.120 0.002 0.000 0.280 47 V C 0.376 176.485 176.094 0.025 0.000 1.021 47 V CA -0.485 61.844 62.300 0.048 0.000 0.847 47 V CB 1.523 33.367 31.823 0.034 0.000 0.990 47 V HN 0.432 nan 8.190 nan 0.000 0.444 48 T N 7.621 122.187 114.554 0.019 0.000 2.853 48 T HA 0.363 4.714 4.350 0.002 0.000 0.317 48 T C -2.457 172.243 174.700 -0.000 0.000 1.059 48 T CA -1.247 60.859 62.100 0.009 0.000 0.954 48 T CB 1.249 70.123 68.868 0.009 0.000 0.994 48 T HN 0.386 nan 8.240 nan 0.000 0.479 49 P HA 0.207 nan 4.420 nan 0.000 0.270 49 P C 0.154 177.440 177.300 -0.024 0.000 1.227 49 P CA -0.115 62.971 63.100 -0.023 0.000 0.788 49 P CB 0.491 32.176 31.700 -0.025 0.000 0.926 50 T N -2.294 112.235 114.554 -0.042 0.000 2.812 50 T HA 0.745 5.096 4.350 0.002 0.000 0.294 50 T C -1.079 173.587 174.700 -0.056 0.000 1.159 50 T CA -0.841 61.240 62.100 -0.031 0.000 1.008 50 T CB 1.385 70.252 68.868 -0.002 0.000 1.289 50 T HN 0.306 nan 8.240 nan 0.000 0.514 51 V N 0.480 120.378 119.914 -0.026 0.000 3.077 51 V HA 0.798 4.919 4.120 0.002 0.000 0.299 51 V C -2.297 173.803 176.094 0.011 0.000 1.276 51 V CA -0.428 61.854 62.300 -0.029 0.000 0.993 51 V CB 2.294 34.088 31.823 -0.048 0.000 1.076 51 V HN 1.325 nan 8.190 nan 0.000 0.434 52 Q N 3.611 123.440 119.800 0.048 0.000 2.296 52 Q HA 0.444 4.786 4.340 0.002 0.000 0.254 52 Q C -1.703 174.224 176.000 -0.123 0.000 0.936 52 Q CA -0.331 55.443 55.803 -0.048 0.000 0.834 52 Q CB 1.913 30.675 28.738 0.040 0.000 1.340 52 Q HN 0.808 nan 8.270 nan 0.000 0.428 53 D N 3.024 123.286 120.400 -0.230 0.000 2.264 53 D HA 0.384 5.025 4.640 0.002 0.000 0.249 53 D C -0.550 175.548 176.300 -0.337 0.000 1.070 53 D CA 0.302 54.213 54.000 -0.148 0.000 0.912 53 D CB 0.870 41.618 40.800 -0.087 0.000 1.193 53 D HN 0.454 nan 8.370 nan 0.000 0.427 54 Y N -0.780 119.562 120.300 0.071 0.000 2.644 54 Y HA 0.438 4.989 4.550 0.002 0.000 0.338 54 Y C -0.284 175.642 175.900 0.043 0.000 1.119 54 Y CA -1.018 57.084 58.100 0.005 0.000 1.060 54 Y CB 1.830 40.251 38.460 -0.066 0.000 1.294 54 Y HN -0.011 nan 8.280 nan 0.000 0.472 55 V N 2.355 122.344 119.914 0.124 0.000 2.482 55 V HA 0.365 4.486 4.120 0.002 0.000 0.295 55 V C -1.202 174.991 176.094 0.165 0.000 1.026 55 V CA -0.889 61.512 62.300 0.168 0.000 0.856 55 V CB 0.994 32.877 31.823 0.100 0.000 1.001 55 V HN 0.497 nan 8.190 nan 0.000 0.424 56 F N 3.535 123.687 119.950 0.337 0.000 2.399 56 F HA 0.564 5.093 4.527 0.002 0.000 0.334 56 F C 0.437 176.370 175.800 0.222 0.000 1.097 56 F CA -0.345 57.842 58.000 0.311 0.000 1.076 56 F CB 1.490 40.602 39.000 0.186 0.000 1.162 56 F HN 0.237 nan 8.300 nan 0.000 0.495 57 K N 3.860 124.437 120.400 0.294 0.000 2.413 57 K HA 0.530 4.851 4.320 0.002 0.000 0.257 57 K C -1.905 174.670 176.600 -0.042 0.000 0.946 57 K CA -0.890 55.372 56.287 -0.042 0.000 0.823 57 K CB 1.542 33.707 32.500 -0.558 0.000 1.109 57 K HN 0.587 nan 8.250 nan 0.000 0.427 58 L N 4.368 125.538 121.223 -0.087 0.000 2.319 58 L HA 0.338 4.679 4.340 0.002 0.000 0.281 58 L C -0.779 176.014 176.870 -0.129 0.000 1.005 58 L CA -0.318 54.450 54.840 -0.121 0.000 0.828 58 L CB 1.346 43.325 42.059 -0.133 0.000 1.227 58 L HN 0.551 nan 8.230 nan 0.000 0.415 59 D N 4.404 124.728 120.400 -0.126 0.000 2.358 59 D HA 0.076 4.717 4.640 0.002 0.000 0.258 59 D C 0.943 177.204 176.300 -0.063 0.000 1.223 59 D CA 0.283 54.227 54.000 -0.093 0.000 0.886 59 D CB 0.899 41.651 40.800 -0.081 0.000 1.120 59 D HN 0.699 nan 8.370 nan 0.000 0.482 60 L N 3.421 124.628 121.223 -0.026 0.000 2.418 60 L HA 0.026 4.367 4.340 0.002 0.000 0.218 60 L C 1.694 178.580 176.870 0.026 0.000 1.125 60 L CA 0.283 55.134 54.840 0.018 0.000 0.835 60 L CB -0.184 41.912 42.059 0.062 0.000 0.953 60 L HN 0.279 nan 8.230 nan 0.000 0.454 61 K N 3.151 123.556 120.400 0.010 0.000 2.054 61 K HA 0.032 4.353 4.320 0.002 0.000 0.242 61 K C 0.034 176.645 176.600 0.019 0.000 1.157 61 K CA -0.193 56.102 56.287 0.014 0.000 1.079 61 K CB 0.035 32.537 32.500 0.004 0.000 1.331 61 K HN 0.178 nan 8.250 nan 0.000 0.317 62 K N 3.703 124.125 120.400 0.036 0.000 2.237 62 K HA 0.286 4.607 4.320 0.002 0.000 0.270 62 K C -2.241 174.386 176.600 0.045 0.000 1.015 62 K CA -1.534 54.783 56.287 0.051 0.000 0.949 62 K CB 0.311 32.858 32.500 0.079 0.000 0.976 62 K HN 0.214 nan 8.250 nan 0.000 0.472 63 P HA 0.029 nan 4.420 nan 0.000 0.271 63 P C -0.400 176.929 177.300 0.048 0.000 1.216 63 P CA -0.096 63.029 63.100 0.042 0.000 0.776 63 P CB 0.995 32.722 31.700 0.045 0.000 0.881 64 E N 0.860 121.080 120.200 0.033 0.000 2.208 64 E HA -0.064 4.287 4.350 0.002 0.000 0.193 64 E C 0.170 176.795 176.600 0.041 0.000 0.988 64 E CA 1.013 57.431 56.400 0.030 0.000 0.828 64 E CB 0.143 29.853 29.700 0.017 0.000 0.763 64 E HN 0.335 nan 8.360 nan 0.000 0.478 65 K N 0.513 120.941 120.400 0.047 0.000 2.501 65 K HA 0.349 4.670 4.320 0.002 0.000 0.252 65 K C -1.388 175.259 176.600 0.077 0.000 0.934 65 K CA -0.839 55.488 56.287 0.067 0.000 0.797 65 K CB 2.283 34.802 32.500 0.033 0.000 1.270 65 K HN -0.090 nan 8.250 nan 0.000 0.431 66 L N 1.138 122.441 121.223 0.132 0.000 2.325 66 L HA 0.570 4.912 4.340 0.002 0.000 0.281 66 L C 0.057 176.965 176.870 0.063 0.000 1.004 66 L CA -0.046 54.849 54.840 0.091 0.000 0.823 66 L CB 1.729 43.854 42.059 0.111 0.000 1.236 66 L HN 0.697 nan 8.230 nan 0.000 0.415 67 G N 6.117 114.961 108.800 0.073 0.000 2.378 67 G HA2 0.482 4.443 3.960 0.002 0.000 0.255 67 G HA3 0.482 4.443 3.960 0.002 0.000 0.255 67 G C -0.584 174.391 174.900 0.125 0.000 1.270 67 G CA -0.312 44.927 45.100 0.231 0.000 0.876 67 G HN 0.483 nan 8.290 nan 0.000 0.521 68 I N 2.927 123.537 120.570 0.067 0.000 2.439 68 I HA 0.287 4.458 4.170 0.002 0.000 0.285 68 I C -0.140 175.796 176.117 -0.302 0.000 1.021 68 I CA -0.588 60.607 61.300 -0.175 0.000 1.091 68 I CB 1.711 39.520 38.000 -0.319 0.000 1.242 68 I HN 0.386 nan 8.210 nan 0.000 0.439 69 M N 7.323 126.745 119.600 -0.297 0.000 2.023 69 M HA 0.476 4.957 4.480 0.002 0.000 0.325 69 M C -0.716 175.466 176.300 -0.197 0.000 0.963 69 M CA -0.441 54.587 55.300 -0.454 0.000 0.928 69 M CB 1.625 33.932 32.600 -0.488 0.000 1.429 69 M HN 0.297 nan 8.290 nan 0.000 0.404 70 L N 4.444 125.518 121.223 -0.248 0.000 2.312 70 L HA 0.548 4.890 4.340 0.002 0.000 0.281 70 L C -0.329 176.485 176.870 -0.093 0.000 1.070 70 L CA -0.660 54.087 54.840 -0.156 0.000 0.805 70 L CB 1.117 43.066 42.059 -0.182 0.000 1.174 70 L HN 0.629 nan 8.230 nan 0.000 0.434 71 I N 2.743 123.211 120.570 -0.170 0.000 2.297 71 I HA 0.385 4.556 4.170 0.002 0.000 0.291 71 I C 0.885 176.651 176.117 -0.584 0.000 1.033 71 I CA 0.141 61.202 61.300 -0.399 0.000 1.253 71 I CB 1.097 38.575 38.000 -0.869 0.000 1.396 71 I HN 0.903 nan 8.210 nan 0.000 0.476 72 G N 4.600 113.153 108.800 -0.412 0.000 2.151 72 G HA2 -0.221 3.741 3.960 0.002 0.000 0.156 72 G HA3 -0.221 3.741 3.960 0.002 0.000 0.156 72 G C 0.489 175.250 174.900 -0.230 0.000 1.017 72 G CA -0.132 44.749 45.100 -0.366 0.000 0.686 72 G HN 0.593 nan 8.290 nan 0.000 0.503 73 L N 1.005 122.113 121.223 -0.192 0.000 2.189 73 L HA 0.195 4.537 4.340 0.002 0.000 0.214 73 L C 2.307 179.103 176.870 -0.124 0.000 1.097 73 L CA 3.219 57.964 54.840 -0.159 0.000 0.764 73 L CB -0.299 41.654 42.059 -0.177 0.000 0.900 73 L HN 0.465 nan 8.230 nan 0.000 0.436 74 G N -1.429 107.301 108.800 -0.117 0.000 3.141 74 G HA2 0.293 4.254 3.960 0.002 0.000 0.218 74 G HA3 0.293 4.254 3.960 0.002 0.000 0.218 74 G C 0.750 175.597 174.900 -0.088 0.000 1.170 74 G CA 0.238 45.282 45.100 -0.093 0.000 0.769 74 G HN 0.602 nan 8.290 nan 0.000 0.546 75 G N -0.141 108.600 108.800 -0.098 0.000 2.508 75 G HA2 0.158 4.119 3.960 0.002 0.000 0.278 75 G HA3 0.158 4.119 3.960 0.002 0.000 0.278 75 G C 0.809 175.673 174.900 -0.060 0.000 1.389 75 G CA -0.384 44.669 45.100 -0.079 0.000 1.050 75 G HN 0.243 nan 8.290 nan 0.000 0.522 76 N N -0.512 118.164 118.700 -0.040 0.000 2.058 76 N HA -0.152 4.589 4.740 0.002 0.000 0.191 76 N C 2.077 177.569 175.510 -0.030 0.000 1.037 76 N CA 1.235 54.268 53.050 -0.028 0.000 0.848 76 N CB -0.081 38.402 38.487 -0.007 0.000 1.021 76 N HN 0.519 nan 8.380 nan 0.000 0.422 77 N N 0.267 118.950 118.700 -0.029 0.000 2.084 77 N HA -0.105 4.636 4.740 0.002 0.000 0.190 77 N C 2.036 177.523 175.510 -0.039 0.000 1.030 77 N CA 0.866 53.901 53.050 -0.025 0.000 0.849 77 N CB -0.231 38.241 38.487 -0.025 0.000 1.012 77 N HN 0.198 nan 8.380 nan 0.000 0.423 78 G N 1.055 109.815 108.800 -0.067 0.000 2.459 78 G HA2 -0.326 3.635 3.960 0.002 0.000 0.217 78 G HA3 -0.326 3.635 3.960 0.002 0.000 0.217 78 G C 1.709 176.575 174.900 -0.058 0.000 1.183 78 G CA 1.448 46.501 45.100 -0.078 0.000 0.776 78 G HN 0.449 nan 8.290 nan 0.000 0.552 79 S N 0.022 115.688 115.700 -0.056 0.000 2.383 79 S HA -0.114 4.357 4.470 0.002 0.000 0.227 79 S C 2.255 176.833 174.600 -0.035 0.000 1.026 79 S CA 2.016 60.188 58.200 -0.047 0.000 0.981 79 S CB -0.853 62.314 63.200 -0.055 0.000 0.818 79 S HN 0.307 nan 8.310 nan 0.000 0.472 80 T N 2.871 117.405 114.554 -0.033 0.000 2.788 80 T HA 0.066 4.417 4.350 0.002 0.000 0.268 80 T C 1.701 176.398 174.700 -0.005 0.000 1.044 80 T CA 1.260 63.343 62.100 -0.028 0.000 1.139 80 T CB -0.551 68.305 68.868 -0.021 0.000 0.867 80 T HN 0.352 nan 8.240 nan 0.000 0.454 81 L N 1.103 122.331 121.223 0.009 0.000 2.017 81 L HA -0.096 4.245 4.340 0.002 0.000 0.208 81 L C 2.451 179.357 176.870 0.060 0.000 1.073 81 L CA 1.305 56.174 54.840 0.048 0.000 0.745 81 L CB -0.386 41.700 42.059 0.045 0.000 0.894 81 L HN 0.060 nan 8.230 nan 0.000 0.432 82 V N 0.245 120.177 119.914 0.030 0.000 2.332 82 V HA -0.316 3.805 4.120 0.002 0.000 0.248 82 V C 2.793 178.904 176.094 0.029 0.000 1.055 82 V CA 1.706 64.028 62.300 0.036 0.000 1.038 82 V CB -1.161 30.666 31.823 0.008 0.000 0.651 82 V HN 0.622 nan 8.190 nan 0.000 0.450 83 A N 0.758 123.577 122.820 -0.001 0.000 1.902 83 A HA -0.219 4.102 4.320 0.002 0.000 0.217 83 A C 2.575 180.132 177.584 -0.044 0.000 1.181 83 A CA 2.347 54.366 52.037 -0.031 0.000 0.623 83 A CB -0.811 18.151 19.000 -0.064 0.000 0.818 83 A HN 0.692 nan 8.150 nan 0.000 0.443 84 S N -0.448 115.234 115.700 -0.030 0.000 2.382 84 S HA -0.117 4.354 4.470 0.002 0.000 0.228 84 S C 1.768 176.353 174.600 -0.025 0.000 1.027 84 S CA 1.465 59.631 58.200 -0.057 0.000 0.991 84 S CB -0.890 62.325 63.200 0.024 0.000 0.823 84 S HN 0.238 nan 8.310 nan 0.000 0.469 85 V N 2.052 122.014 119.914 0.079 0.000 2.307 85 V HA -0.070 4.052 4.120 0.002 0.000 0.245 85 V C 2.622 178.745 176.094 0.047 0.000 1.045 85 V CA 1.731 64.094 62.300 0.105 0.000 1.024 85 V CB -0.794 31.105 31.823 0.127 0.000 0.651 85 V HN 0.457 nan 8.190 nan 0.000 0.449 86 L N -0.100 121.161 121.223 0.063 0.000 2.017 86 L HA -0.161 4.180 4.340 0.002 0.000 0.208 86 L C 2.756 179.700 176.870 0.124 0.000 1.073 86 L CA 1.641 56.563 54.840 0.136 0.000 0.745 86 L CB -0.805 41.324 42.059 0.115 0.000 0.894 86 L HN 0.375 nan 8.230 nan 0.000 0.432 87 A N 0.416 123.242 122.820 0.009 0.000 1.883 87 A HA -0.253 4.068 4.320 0.002 0.000 0.217 87 A C 1.980 179.527 177.584 -0.061 0.000 1.186 87 A CA 2.409 54.427 52.037 -0.031 0.000 0.624 87 A CB -0.764 18.168 19.000 -0.115 0.000 0.822 87 A HN 0.472 nan 8.150 nan 0.000 0.444 88 N N -0.702 117.905 118.700 -0.156 0.000 2.135 88 N HA -0.103 4.638 4.740 0.002 0.000 0.186 88 N C 1.771 177.215 175.510 -0.109 0.000 1.027 88 N CA 1.436 54.363 53.050 -0.206 0.000 0.849 88 N CB -0.197 38.007 38.487 -0.472 0.000 1.002 88 N HN 0.570 nan 8.380 nan 0.000 0.425 89 K N 0.285 120.614 120.400 -0.118 0.000 2.044 89 K HA -0.174 4.147 4.320 0.002 0.000 0.210 89 K C 0.643 177.036 176.600 -0.344 0.000 1.049 89 K CA 1.569 57.707 56.287 -0.249 0.000 0.927 89 K CB -0.075 32.197 32.500 -0.380 0.000 0.713 89 K HN 0.442 nan 8.250 nan 0.000 0.443 90 H N 0.041 119.100 119.070 -0.018 0.000 2.529 90 H HA 0.219 4.776 4.556 0.002 0.000 0.277 90 H C -0.544 174.772 175.328 -0.021 0.000 1.004 90 H CA -0.098 55.940 56.048 -0.017 0.000 1.167 90 H CB 0.302 30.053 29.762 -0.018 0.000 1.445 90 H HN 0.241 nan 8.280 nan 0.000 0.554 91 N N 0.682 119.405 118.700 0.038 0.000 2.688 91 N HA -0.155 4.586 4.740 0.002 0.000 0.258 91 N C -0.872 174.663 175.510 0.042 0.000 1.016 91 N CA 0.444 53.504 53.050 0.016 0.000 0.747 91 N CB -1.321 37.170 38.487 0.007 0.000 0.895 91 N HN 0.138 nan 8.380 nan 0.000 0.543 92 V N 1.220 121.170 119.914 0.059 0.000 2.326 92 V HA 0.013 4.134 4.120 0.002 0.000 0.249 92 V C 1.162 177.342 176.094 0.144 0.000 1.114 92 V CA -0.362 61.983 62.300 0.075 0.000 1.028 92 V CB 0.125 31.980 31.823 0.053 0.000 1.170 92 V HN 0.301 nan 8.190 nan 0.000 0.494 93 E N 5.072 125.328 120.200 0.095 0.000 2.392 93 E HA 0.517 4.868 4.350 0.002 0.000 0.259 93 E C -0.691 176.009 176.600 0.167 0.000 1.108 93 E CA -0.477 55.963 56.400 0.068 0.000 0.916 93 E CB 1.016 30.684 29.700 -0.054 0.000 0.989 93 E HN 0.490 nan 8.360 nan 0.000 0.432 94 F N -1.999 117.919 119.950 -0.052 0.000 2.645 94 F HA 0.396 4.925 4.527 0.002 0.000 0.310 94 F C -0.835 174.946 175.800 -0.030 0.000 1.102 94 F CA -1.471 56.503 58.000 -0.043 0.000 0.952 94 F CB 1.106 40.077 39.000 -0.049 0.000 1.326 94 F HN 0.196 nan 8.300 nan 0.000 0.456 95 Q N 1.625 121.468 119.800 0.072 0.000 2.259 95 Q HA 0.590 4.931 4.340 0.002 0.000 0.249 95 Q C -0.187 175.859 176.000 0.077 0.000 0.914 95 Q CA -0.080 55.727 55.803 0.007 0.000 0.904 95 Q CB 2.061 30.823 28.738 0.039 0.000 1.213 95 Q HN 1.012 nan 8.270 nan 0.000 0.428 96 T N -2.749 111.812 114.554 0.011 0.000 2.778 96 T HA 0.351 4.702 4.350 0.002 0.000 0.293 96 T C 0.559 175.273 174.700 0.023 0.000 1.144 96 T CA -0.864 61.267 62.100 0.053 0.000 1.010 96 T CB 0.927 69.820 68.868 0.042 0.000 1.325 96 T HN 0.570 nan 8.240 nan 0.000 0.515 97 K N -0.121 120.298 120.400 0.031 0.000 2.365 97 K HA 0.106 4.427 4.320 0.002 0.000 0.199 97 K C 0.864 177.465 176.600 0.002 0.000 1.045 97 K CA 0.961 57.258 56.287 0.017 0.000 0.962 97 K CB -0.106 32.407 32.500 0.022 0.000 0.759 97 K HN 0.461 nan 8.250 nan 0.000 0.469 98 E N 0.783 120.980 120.200 -0.006 0.000 2.463 98 E HA 0.176 4.528 4.350 0.002 0.000 0.193 98 E C 0.313 176.887 176.600 -0.043 0.000 1.041 98 E CA 0.417 56.806 56.400 -0.018 0.000 0.879 98 E CB 0.993 30.685 29.700 -0.014 0.000 0.997 98 E HN 0.507 nan 8.360 nan 0.000 0.478 99 G N -0.661 108.108 108.800 -0.051 0.000 2.549 99 G HA2 -0.218 3.743 3.960 0.002 0.000 0.404 99 G HA3 -0.218 3.743 3.960 0.002 0.000 0.404 99 G C -0.519 174.298 174.900 -0.139 0.000 1.292 99 G CA -0.675 44.380 45.100 -0.075 0.000 0.935 99 G HN 0.039 nan 8.290 nan 0.000 0.512 100 V N 1.307 121.132 119.914 -0.149 0.000 2.673 100 V HA 0.368 4.489 4.120 0.002 0.000 0.303 100 V C 0.798 176.692 176.094 -0.335 0.000 1.046 100 V CA 0.614 62.777 62.300 -0.228 0.000 1.126 100 V CB 0.932 32.660 31.823 -0.158 0.000 0.934 100 V HN 0.687 nan 8.190 nan 0.000 0.487 101 K N 3.641 123.669 120.400 -0.620 0.000 2.316 101 K HA 0.511 4.832 4.320 0.002 0.000 0.251 101 K C -1.014 175.227 176.600 -0.600 0.000 0.934 101 K CA -0.990 54.890 56.287 -0.678 0.000 0.802 101 K CB 2.014 33.942 32.500 -0.952 0.000 1.171 101 K HN 0.482 nan 8.250 nan 0.000 0.426 102 Q N 1.854 121.465 119.800 -0.315 0.000 2.243 102 Q HA 0.340 4.681 4.340 0.002 0.000 0.252 102 Q C -2.360 173.574 176.000 -0.110 0.000 0.909 102 Q CA -2.239 53.462 55.803 -0.171 0.000 0.922 102 Q CB 0.795 29.455 28.738 -0.130 0.000 1.215 102 Q HN 0.328 nan 8.270 nan 0.000 0.427 103 P HA 0.065 nan 4.420 nan 0.000 0.267 103 P C -0.372 176.784 177.300 -0.240 0.000 1.200 103 P CA 0.125 63.195 63.100 -0.051 0.000 0.772 103 P CB 0.630 32.286 31.700 -0.074 0.000 0.855 104 N N 0.341 118.820 118.700 -0.367 0.000 3.106 104 N HA 0.172 4.913 4.740 0.002 0.000 0.253 104 N C -1.309 173.946 175.510 -0.425 0.000 1.506 104 N CA -0.623 52.176 53.050 -0.420 0.000 0.876 104 N CB 0.711 38.796 38.487 -0.670 0.000 1.452 104 N HN 0.134 nan 8.380 nan 0.000 0.542 105 Y N 0.223 120.528 120.300 0.009 0.000 2.736 105 Y HA 0.433 4.984 4.550 0.002 0.000 0.293 105 Y C -0.235 175.808 175.900 0.238 0.000 1.062 105 Y CA -0.799 57.346 58.100 0.074 0.000 1.247 105 Y CB -0.173 38.308 38.460 0.034 0.000 1.200 105 Y HN 0.330 nan 8.280 nan 0.000 0.552 106 F N 0.475 120.488 119.950 0.104 0.000 2.602 106 F HA 0.217 4.745 4.527 0.002 0.000 0.367 106 F C 1.546 177.398 175.800 0.087 0.000 1.126 106 F CA 0.992 59.040 58.000 0.079 0.000 1.321 106 F CB 0.641 39.672 39.000 0.052 0.000 1.094 106 F HN 0.488 nan 8.300 nan 0.000 0.594 107 G N 1.550 110.487 108.800 0.229 0.000 2.213 107 G HA2 -0.275 3.686 3.960 0.002 0.000 0.226 107 G HA3 -0.275 3.686 3.960 0.002 0.000 0.226 107 G C 0.108 175.103 174.900 0.159 0.000 0.992 107 G CA 0.035 45.236 45.100 0.167 0.000 0.632 107 G HN 0.755 nan 8.290 nan 0.000 0.511 108 S N 0.893 116.686 115.700 0.156 0.000 2.430 108 S HA 0.595 5.066 4.470 0.002 0.000 0.289 108 S C 1.539 176.159 174.600 0.033 0.000 1.143 108 S CA 0.228 58.486 58.200 0.097 0.000 1.067 108 S CB 0.683 63.919 63.200 0.061 0.000 0.964 108 S HN 0.318 nan 8.310 nan 0.000 0.485 109 M N 4.309 123.928 119.600 0.032 0.000 2.229 109 M HA -0.055 4.426 4.480 0.002 0.000 0.264 109 M C 1.663 177.734 176.300 -0.383 0.000 1.063 109 M CA 1.744 56.960 55.300 -0.140 0.000 1.114 109 M CB -1.179 31.322 32.600 -0.165 0.000 1.387 109 M HN 0.707 nan 8.290 nan 0.000 0.420 110 T N 0.598 114.945 114.554 -0.344 0.000 2.904 110 T HA -0.077 4.274 4.350 0.002 0.000 0.267 110 T C 1.657 176.275 174.700 -0.137 0.000 1.059 110 T CA 1.077 62.937 62.100 -0.399 0.000 1.137 110 T CB 0.156 68.867 68.868 -0.261 0.000 0.879 110 T HN 0.426 nan 8.240 nan 0.000 0.467 111 Q N -0.896 118.846 119.800 -0.098 0.000 2.392 111 Q HA 0.224 4.566 4.340 0.002 0.000 0.219 111 Q C 1.652 177.682 176.000 0.051 0.000 0.895 111 Q CA 0.479 56.265 55.803 -0.028 0.000 0.929 111 Q CB 0.251 28.950 28.738 -0.066 0.000 1.077 111 Q HN 0.482 nan 8.270 nan 0.000 0.532 112 C N 1.003 120.326 119.300 0.037 0.000 3.385 112 C HA 0.312 4.773 4.460 0.002 0.000 0.288 112 C C 1.080 176.062 174.990 -0.014 0.000 1.429 112 C CA -0.553 58.488 59.018 0.039 0.000 1.778 112 C CB -0.233 27.545 27.740 0.062 0.000 2.503 112 C HN 0.317 nan 8.230 nan 0.000 0.646 113 S N 0.910 116.601 115.700 -0.014 0.000 2.638 113 S HA 0.789 5.260 4.470 0.002 0.000 0.298 113 S C -0.229 174.423 174.600 0.087 0.000 1.111 113 S CA -0.078 58.120 58.200 -0.004 0.000 1.027 113 S CB 1.545 64.712 63.200 -0.055 0.000 1.064 113 S HN 0.471 nan 8.310 nan 0.000 0.525 114 T N -0.444 114.168 114.554 0.096 0.000 2.926 114 T HA 0.772 5.123 4.350 0.002 0.000 0.289 114 T C -0.664 174.184 174.700 0.248 0.000 1.054 114 T CA -0.972 61.227 62.100 0.164 0.000 1.015 114 T CB 0.762 69.714 68.868 0.140 0.000 1.167 114 T HN 0.663 nan 8.240 nan 0.000 0.526 115 L N 0.446 121.819 121.223 0.250 0.000 2.422 115 L HA 0.547 4.888 4.340 0.002 0.000 0.264 115 L C -0.248 176.608 176.870 -0.023 0.000 0.984 115 L CA -1.203 53.733 54.840 0.161 0.000 0.819 115 L CB 2.526 44.580 42.059 -0.007 0.000 1.330 115 L HN 0.731 nan 8.230 nan 0.000 0.410 116 K N 2.308 122.509 120.400 -0.332 0.000 2.378 116 K HA 0.256 4.577 4.320 0.002 0.000 0.288 116 K C 0.445 176.824 176.600 -0.368 0.000 1.057 116 K CA -0.185 55.623 56.287 -0.797 0.000 0.971 116 K CB 0.730 32.725 32.500 -0.841 0.000 0.975 116 K HN 0.649 nan 8.250 nan 0.000 0.475 117 L N 3.089 124.133 121.223 -0.299 0.000 2.307 117 L HA 0.166 4.507 4.340 0.002 0.000 0.211 117 L C 1.202 177.981 176.870 -0.153 0.000 1.099 117 L CA 0.701 55.436 54.840 -0.176 0.000 0.816 117 L CB 0.107 42.093 42.059 -0.122 0.000 0.952 117 L HN 1.010 nan 8.230 nan 0.000 0.455 118 G N -0.069 108.622 108.800 -0.181 0.000 2.399 118 G HA2 0.219 4.180 3.960 0.002 0.000 0.256 118 G HA3 0.219 4.180 3.960 0.002 0.000 0.256 118 G C -1.621 173.208 174.900 -0.118 0.000 1.236 118 G CA -0.338 44.685 45.100 -0.128 0.000 0.914 118 G HN 0.010 nan 8.290 nan 0.000 0.482 119 I N -0.744 119.784 120.570 -0.069 0.000 2.797 119 I HA 0.738 4.909 4.170 0.002 0.000 0.307 119 I C -0.471 175.631 176.117 -0.025 0.000 1.033 119 I CA -1.052 60.222 61.300 -0.043 0.000 1.071 119 I CB 2.238 40.222 38.000 -0.027 0.000 1.255 119 I HN 0.669 nan 8.210 nan 0.000 0.445 120 D N 3.835 124.228 120.400 -0.011 0.000 2.539 120 D HA 0.319 4.960 4.640 0.002 0.000 0.276 120 D C 1.140 177.440 176.300 0.001 0.000 1.206 120 D CA -0.208 53.789 54.000 -0.004 0.000 1.081 120 D CB 1.100 41.902 40.800 0.003 0.000 1.142 120 D HN 0.670 nan 8.370 nan 0.000 0.595 121 A N -0.122 122.700 122.820 0.003 0.000 1.917 121 A HA -0.240 4.082 4.320 0.002 0.000 0.219 121 A C 1.924 179.513 177.584 0.008 0.000 1.182 121 A CA 1.969 54.009 52.037 0.005 0.000 0.633 121 A CB -0.879 18.124 19.000 0.005 0.000 0.819 121 A HN 0.611 nan 8.150 nan 0.000 0.448 122 E N -1.705 118.501 120.200 0.009 0.000 2.427 122 E HA 0.272 4.623 4.350 0.002 0.000 0.196 122 E C 1.254 177.861 176.600 0.013 0.000 1.028 122 E CA 0.851 57.258 56.400 0.011 0.000 0.864 122 E CB -0.137 29.570 29.700 0.013 0.000 0.813 122 E HN 0.856 nan 8.360 nan 0.000 0.514 123 G N 0.428 109.235 108.800 0.011 0.000 2.144 123 G HA2 -0.220 3.742 3.960 0.002 0.000 0.218 123 G HA3 -0.220 3.742 3.960 0.002 0.000 0.218 123 G C -0.302 174.605 174.900 0.013 0.000 0.988 123 G CA -0.268 44.838 45.100 0.011 0.000 0.659 123 G HN 0.139 nan 8.290 nan 0.000 0.522 124 N N 1.488 120.198 118.700 0.016 0.000 2.479 124 N HA 0.396 5.137 4.740 0.002 0.000 0.285 124 N C -0.427 175.098 175.510 0.025 0.000 1.075 124 N CA -0.513 52.553 53.050 0.027 0.000 0.967 124 N CB 0.943 39.450 38.487 0.033 0.000 1.137 124 N HN 0.126 nan 8.380 nan 0.000 0.472 125 D N 0.543 120.968 120.400 0.042 0.000 2.525 125 D HA 0.028 4.669 4.640 0.002 0.000 0.235 125 D C -0.158 176.162 176.300 0.034 0.000 1.137 125 D CA 0.458 54.466 54.000 0.014 0.000 0.868 125 D CB 0.727 41.594 40.800 0.113 0.000 1.180 125 D HN 0.053 nan 8.370 nan 0.000 0.465 126 V N 3.363 123.215 119.914 -0.104 0.000 2.487 126 V HA 0.298 4.419 4.120 0.002 0.000 0.298 126 V C -0.680 175.306 176.094 -0.179 0.000 1.028 126 V CA -0.787 61.489 62.300 -0.040 0.000 0.860 126 V CB 0.789 32.587 31.823 -0.042 0.000 0.991 126 V HN 0.349 nan 8.190 nan 0.000 0.427 127 Y N 2.310 122.601 120.300 -0.014 0.000 2.446 127 Y HA 0.832 5.384 4.550 0.003 0.000 0.338 127 Y C 0.383 176.275 175.900 -0.015 0.000 1.055 127 Y CA -0.568 57.523 58.100 -0.015 0.000 1.101 127 Y CB 2.208 40.662 38.460 -0.011 0.000 1.221 127 Y HN 0.755 nan 8.280 nan 0.000 0.460 128 A N 3.086 125.979 122.820 0.121 0.000 2.454 128 A HA 0.799 5.120 4.320 0.002 0.000 0.302 128 A C -3.040 174.586 177.584 0.071 0.000 1.079 128 A CA -2.308 49.767 52.037 0.063 0.000 0.731 128 A CB 1.345 20.347 19.000 0.003 0.000 1.299 128 A HN 0.467 nan 8.150 nan 0.000 0.413 129 P HA 0.048 nan 4.420 nan 0.000 0.265 129 P C 0.483 177.831 177.300 0.080 0.000 1.187 129 P CA 0.159 63.306 63.100 0.079 0.000 0.766 129 P CB 0.184 31.920 31.700 0.060 0.000 0.820 130 F N 3.899 123.825 119.950 -0.041 0.000 2.192 130 F HA -0.254 4.274 4.527 0.002 0.000 0.301 130 F C 1.496 177.225 175.800 -0.118 0.000 1.079 130 F CA 1.748 59.700 58.000 -0.081 0.000 1.303 130 F CB -0.040 38.913 39.000 -0.079 0.000 1.024 130 F HN 0.309 nan 8.300 nan 0.000 0.494 131 N N -0.354 118.446 118.700 0.165 0.000 2.276 131 N HA -0.005 4.736 4.740 0.002 0.000 0.212 131 N C 0.708 176.203 175.510 -0.025 0.000 1.127 131 N CA 0.695 53.775 53.050 0.050 0.000 0.834 131 N CB -0.625 37.912 38.487 0.083 0.000 1.014 131 N HN 0.295 nan 8.380 nan 0.000 0.491 132 S N -1.210 114.462 115.700 -0.047 0.000 2.523 132 S HA 0.190 4.661 4.470 0.002 0.000 0.217 132 S C 1.364 175.924 174.600 -0.067 0.000 0.996 132 S CA -0.369 57.808 58.200 -0.038 0.000 0.921 132 S CB -0.093 63.099 63.200 -0.014 0.000 0.829 132 S HN 0.040 nan 8.310 nan 0.000 0.495 133 L N 1.259 122.402 121.223 -0.134 0.000 2.023 133 L HA 0.377 4.718 4.340 0.002 0.000 0.205 133 L C 0.719 177.533 176.870 -0.092 0.000 1.073 133 L CA 1.524 56.278 54.840 -0.143 0.000 0.745 133 L CB -0.636 41.275 42.059 -0.247 0.000 0.900 133 L HN 0.365 nan 8.230 nan 0.000 0.435 134 L N -0.538 120.621 121.223 -0.107 0.000 2.371 134 L HA 0.409 4.750 4.340 0.002 0.000 0.262 134 L C -2.316 174.600 176.870 0.077 0.000 1.006 134 L CA -2.000 52.854 54.840 0.023 0.000 0.818 134 L CB 1.836 43.962 42.059 0.112 0.000 1.354 134 L HN -0.119 nan 8.230 nan 0.000 0.415 135 P HA 0.042 nan 4.420 nan 0.000 0.260 135 P C -1.173 176.262 177.300 0.225 0.000 1.185 135 P CA 0.537 63.721 63.100 0.141 0.000 0.763 135 P CB 0.472 32.245 31.700 0.121 0.000 0.776 136 M N 2.280 121.967 119.600 0.145 0.000 2.644 136 M HA 0.337 4.818 4.480 0.002 0.000 0.304 136 M C -0.229 176.138 176.300 0.112 0.000 1.215 136 M CA -1.382 54.020 55.300 0.171 0.000 0.871 136 M CB 2.564 35.206 32.600 0.071 0.000 1.740 136 M HN -0.042 nan 8.290 nan 0.000 0.464 137 V N 1.183 121.178 119.914 0.134 0.000 2.614 137 V HA 0.161 4.283 4.120 0.002 0.000 0.291 137 V C 0.328 176.430 176.094 0.014 0.000 1.049 137 V CA -0.194 62.170 62.300 0.107 0.000 1.038 137 V CB 1.409 33.349 31.823 0.194 0.000 0.980 137 V HN 0.902 nan 8.190 nan 0.000 0.481 138 S N 6.142 121.803 115.700 -0.065 0.000 2.537 138 S HA 0.334 4.805 4.470 0.002 0.000 0.275 138 S C -1.055 173.237 174.600 -0.513 0.000 1.272 138 S CA -1.369 56.698 58.200 -0.221 0.000 1.050 138 S CB 1.273 64.388 63.200 -0.142 0.000 0.961 138 S HN 0.675 nan 8.310 nan 0.000 0.496 139 P HA -0.065 nan 4.420 nan 0.000 0.225 139 P C 0.494 177.279 177.300 -0.857 0.000 1.148 139 P CA 0.765 62.844 63.100 -1.702 0.000 0.779 139 P CB -0.020 30.850 31.700 -1.384 0.000 0.780 140 N N 0.281 118.755 118.700 -0.377 0.000 2.520 140 N HA -0.075 4.666 4.740 0.002 0.000 0.185 140 N C 0.755 176.198 175.510 -0.110 0.000 1.068 140 N CA 0.918 53.885 53.050 -0.138 0.000 0.911 140 N CB -0.359 38.090 38.487 -0.064 0.000 0.961 140 N HN 0.259 nan 8.380 nan 0.000 0.446 141 D N -0.563 119.764 120.400 -0.123 0.000 2.402 141 D HA 0.091 4.732 4.640 0.002 0.000 0.216 141 D C -0.052 176.381 176.300 0.222 0.000 1.128 141 D CA -0.131 53.889 54.000 0.033 0.000 0.833 141 D CB 0.162 40.986 40.800 0.041 0.000 0.971 141 D HN 0.192 nan 8.370 nan 0.000 0.503 142 F N 1.132 121.088 119.950 0.010 0.000 2.443 142 F HA 0.178 4.707 4.527 0.002 0.000 0.353 142 F C 0.727 176.556 175.800 0.048 0.000 1.101 142 F CA -0.555 57.460 58.000 0.026 0.000 1.226 142 F CB 1.396 40.404 39.000 0.013 0.000 1.140 142 F HN -0.360 nan 8.300 nan 0.000 0.557 143 V N 5.424 125.490 119.914 0.253 0.000 2.293 143 V HA 0.211 4.332 4.120 0.002 0.000 0.275 143 V C -0.159 176.095 176.094 0.266 0.000 1.021 143 V CA -0.578 61.851 62.300 0.215 0.000 0.815 143 V CB 1.153 33.065 31.823 0.148 0.000 1.025 143 V HN 0.430 nan 8.190 nan 0.000 0.448 144 V N 3.916 123.928 119.914 0.163 0.000 2.532 144 V HA 0.812 4.933 4.120 0.002 0.000 0.295 144 V C 0.279 176.309 176.094 -0.108 0.000 1.041 144 V CA 0.064 62.373 62.300 0.014 0.000 0.926 144 V CB 1.612 33.439 31.823 0.007 0.000 0.992 144 V HN 0.864 nan 8.190 nan 0.000 0.457 145 S N 1.609 117.074 115.700 -0.393 0.000 3.003 145 S HA 0.954 5.426 4.470 0.002 0.000 0.313 145 S C -0.298 173.910 174.600 -0.654 0.000 1.230 145 S CA 0.391 58.274 58.200 -0.528 0.000 0.977 145 S CB 1.421 64.159 63.200 -0.769 0.000 1.340 145 S HN 1.891 nan 8.310 nan 0.000 0.608 146 G N -0.330 107.963 108.800 -0.845 0.000 2.339 146 G HA2 0.213 4.174 3.960 0.002 0.000 0.275 146 G HA3 0.213 4.174 3.960 0.002 0.000 0.275 146 G C -2.067 172.324 174.900 -0.848 0.000 1.323 146 G CA -0.391 44.123 45.100 -0.976 0.000 0.927 146 G HN 0.620 nan 8.290 nan 0.000 0.486 147 W N -0.204 120.983 121.300 -0.189 0.000 2.902 147 W HA 0.742 5.403 4.660 0.002 0.000 0.346 147 W C -1.007 175.393 176.519 -0.198 0.000 1.139 147 W CA -0.307 56.956 57.345 -0.136 0.000 1.139 147 W CB 2.375 31.813 29.460 -0.037 0.000 1.439 147 W HN 0.623 nan 8.180 nan 0.000 0.558 148 D N 0.770 121.229 120.400 0.099 0.000 2.812 148 D HA 0.098 4.739 4.640 0.002 0.000 0.210 148 D C 0.520 176.808 176.300 -0.021 0.000 1.260 148 D CA -0.391 53.590 54.000 -0.032 0.000 0.817 148 D CB 1.767 42.522 40.800 -0.075 0.000 1.694 148 D HN 0.398 nan 8.370 nan 0.000 0.530 149 I N 0.329 120.858 120.570 -0.070 0.000 3.083 149 I HA 0.043 4.214 4.170 0.002 0.000 0.273 149 I C 0.273 176.334 176.117 -0.093 0.000 1.297 149 I CA 0.455 61.703 61.300 -0.088 0.000 1.452 149 I CB -0.236 37.644 38.000 -0.200 0.000 1.078 149 I HN 0.030 nan 8.210 nan 0.000 0.484 150 N N 2.051 120.703 118.700 -0.080 0.000 2.342 150 N HA 0.177 4.918 4.740 0.002 0.000 0.293 150 N C 0.396 175.881 175.510 -0.043 0.000 1.026 150 N CA -0.715 52.296 53.050 -0.065 0.000 0.857 150 N CB 1.071 39.514 38.487 -0.072 0.000 1.256 150 N HN 0.184 nan 8.380 nan 0.000 0.484 151 N N 2.311 120.994 118.700 -0.029 0.000 2.461 151 N HA 0.104 4.845 4.740 0.002 0.000 0.188 151 N C -0.021 175.476 175.510 -0.021 0.000 1.134 151 N CA -0.259 52.779 53.050 -0.019 0.000 0.878 151 N CB 0.100 38.583 38.487 -0.007 0.000 0.972 151 N HN 0.488 nan 8.380 nan 0.000 0.456 152 A N 1.015 123.818 122.820 -0.028 0.000 2.565 152 A HA 0.136 4.457 4.320 0.002 0.000 0.237 152 A C 0.229 177.799 177.584 -0.024 0.000 1.053 152 A CA -0.090 51.931 52.037 -0.026 0.000 0.755 152 A CB -0.340 18.636 19.000 -0.040 0.000 0.980 152 A HN 0.656 nan 8.150 nan 0.000 0.506 153 D N 1.015 121.412 120.400 -0.005 0.000 2.384 153 D HA 0.216 4.857 4.640 0.002 0.000 0.244 153 D C 0.560 176.860 176.300 0.001 0.000 1.251 153 D CA -0.655 53.347 54.000 0.004 0.000 0.961 153 D CB 0.233 41.052 40.800 0.032 0.000 1.116 153 D HN 0.159 nan 8.370 nan 0.000 0.484 154 L N -0.435 120.793 121.223 0.009 0.000 2.465 154 L HA -0.027 4.315 4.340 0.002 0.000 0.224 154 L C 1.604 178.492 176.870 0.030 0.000 1.145 154 L CA 1.100 55.941 54.840 0.001 0.000 0.834 154 L CB -1.253 40.802 42.059 -0.006 0.000 0.944 154 L HN 0.548 nan 8.230 nan 0.000 0.451 155 Y N 0.414 120.686 120.300 -0.047 0.000 2.206 155 Y HA -0.124 4.427 4.550 0.002 0.000 0.292 155 Y C 2.282 178.158 175.900 -0.040 0.000 1.123 155 Y CA 1.439 59.509 58.100 -0.050 0.000 1.142 155 Y CB -0.035 38.395 38.460 -0.049 0.000 1.006 155 Y HN 0.282 nan 8.280 nan 0.000 0.518 156 E N 0.321 120.403 120.200 -0.197 0.000 2.110 156 E HA -0.206 4.146 4.350 0.002 0.000 0.193 156 E C 2.355 178.832 176.600 -0.206 0.000 0.988 156 E CA 1.012 57.264 56.400 -0.247 0.000 0.804 156 E CB -0.330 29.317 29.700 -0.089 0.000 0.745 156 E HN 0.563 nan 8.360 nan 0.000 0.458 157 A N 1.412 124.152 122.820 -0.133 0.000 1.883 157 A HA -0.215 4.106 4.320 0.002 0.000 0.217 157 A C 2.197 179.706 177.584 -0.125 0.000 1.186 157 A CA 1.480 53.453 52.037 -0.106 0.000 0.624 157 A CB -0.477 18.477 19.000 -0.076 0.000 0.822 157 A HN 0.142 nan 8.150 nan 0.000 0.444 158 M N -1.015 118.494 119.600 -0.152 0.000 2.086 158 M HA -0.237 4.244 4.480 0.002 0.000 0.261 158 M C 2.541 178.738 176.300 -0.173 0.000 1.067 158 M CA 1.802 57.016 55.300 -0.144 0.000 1.116 158 M CB -0.497 32.024 32.600 -0.131 0.000 1.348 158 M HN 0.522 nan 8.290 nan 0.000 0.407 159 Q N -0.439 119.188 119.800 -0.289 0.000 2.061 159 Q HA -0.248 4.093 4.340 0.002 0.000 0.204 159 Q C 2.094 178.015 176.000 -0.132 0.000 0.984 159 Q CA 1.752 57.414 55.803 -0.235 0.000 0.846 159 Q CB -0.401 28.129 28.738 -0.347 0.000 0.902 159 Q HN 0.481 nan 8.270 nan 0.000 0.421 160 R N 0.345 120.767 120.500 -0.131 0.000 2.081 160 R HA -0.117 4.224 4.340 0.002 0.000 0.235 160 R C 2.204 178.467 176.300 -0.061 0.000 1.131 160 R CA 1.719 57.768 56.100 -0.085 0.000 0.960 160 R CB -0.054 30.196 30.300 -0.083 0.000 0.856 160 R HN 0.067 nan 8.270 nan 0.000 0.436 161 S N 0.686 116.347 115.700 -0.065 0.000 2.383 161 S HA -0.104 4.367 4.470 0.002 0.000 0.227 161 S C 0.145 174.726 174.600 -0.031 0.000 1.026 161 S CA 1.093 59.268 58.200 -0.042 0.000 0.981 161 S CB -0.033 63.139 63.200 -0.046 0.000 0.818 161 S HN 0.454 nan 8.310 nan 0.000 0.472 162 Q N -0.650 119.127 119.800 -0.038 0.000 2.463 162 Q HA -0.152 4.190 4.340 0.002 0.000 0.299 162 Q C 0.337 176.330 176.000 -0.012 0.000 1.353 162 Q CA 0.276 56.068 55.803 -0.019 0.000 0.828 162 Q CB -2.066 26.665 28.738 -0.012 0.000 1.157 162 Q HN 0.378 nan 8.270 nan 0.000 0.436 163 V N -0.941 118.959 119.914 -0.023 0.000 2.690 163 V HA 0.083 4.204 4.120 0.002 0.000 0.240 163 V C 1.105 177.181 176.094 -0.030 0.000 1.078 163 V CA 0.852 63.139 62.300 -0.021 0.000 1.102 163 V CB 0.225 32.032 31.823 -0.026 0.000 0.800 163 V HN 0.334 nan 8.190 nan 0.000 0.479 164 L N 0.616 121.806 121.223 -0.056 0.000 2.399 164 L HA 0.315 4.656 4.340 0.002 0.000 0.266 164 L C 0.497 177.332 176.870 -0.059 0.000 1.114 164 L CA -0.456 54.327 54.840 -0.095 0.000 0.804 164 L CB 0.391 42.359 42.059 -0.152 0.000 1.146 164 L HN 0.198 nan 8.230 nan 0.000 0.451 165 E N 0.758 120.910 120.200 -0.079 0.000 2.502 165 E HA -0.166 4.185 4.350 0.002 0.000 0.261 165 E C 0.401 177.020 176.600 0.032 0.000 0.974 165 E CA 0.467 56.881 56.400 0.023 0.000 0.936 165 E CB 0.517 30.270 29.700 0.090 0.000 0.926 165 E HN 0.430 nan 8.360 nan 0.000 0.459 166 Y N 3.960 124.267 120.300 0.012 0.000 2.102 166 Y HA -0.337 4.214 4.550 0.002 0.000 0.280 166 Y C 1.900 177.823 175.900 0.038 0.000 1.178 166 Y CA 2.671 60.783 58.100 0.021 0.000 1.146 166 Y CB -0.101 38.375 38.460 0.027 0.000 0.968 166 Y HN 0.657 nan 8.280 nan 0.000 0.504 167 D N -0.508 119.906 120.400 0.024 0.000 2.149 167 D HA -0.198 4.444 4.640 0.002 0.000 0.198 167 D C 2.079 178.338 176.300 -0.069 0.000 0.990 167 D CA 1.270 55.257 54.000 -0.022 0.000 0.839 167 D CB -0.348 40.531 40.800 0.131 0.000 0.948 167 D HN 0.372 nan 8.370 nan 0.000 0.460 168 L N 0.493 121.670 121.223 -0.078 0.000 2.027 168 L HA -0.108 4.234 4.340 0.002 0.000 0.206 168 L C 2.115 178.879 176.870 -0.177 0.000 1.074 168 L CA 1.677 56.400 54.840 -0.196 0.000 0.745 168 L CB -0.747 40.974 42.059 -0.563 0.000 0.898 168 L HN 0.100 nan 8.230 nan 0.000 0.433 169 Q N -1.006 118.689 119.800 -0.175 0.000 2.096 169 Q HA -0.249 4.092 4.340 0.002 0.000 0.204 169 Q C 2.143 178.106 176.000 -0.062 0.000 0.982 169 Q CA 1.660 57.409 55.803 -0.091 0.000 0.850 169 Q CB -0.272 28.416 28.738 -0.083 0.000 0.901 169 Q HN 0.571 nan 8.270 nan 0.000 0.422 170 Q N 0.484 120.153 119.800 -0.218 0.000 2.124 170 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 170 Q C 1.947 177.848 176.000 -0.165 0.000 0.977 170 Q CA 1.311 56.980 55.803 -0.225 0.000 0.850 170 Q CB -0.188 28.348 28.738 -0.337 0.000 0.901 170 Q HN 0.404 nan 8.270 nan 0.000 0.429 171 R N 0.041 120.467 120.500 -0.123 0.000 2.148 171 R HA 0.037 4.378 4.340 0.002 0.000 0.223 171 R C 2.002 178.242 176.300 -0.100 0.000 1.088 171 R CA 0.604 56.649 56.100 -0.091 0.000 0.985 171 R CB -0.073 30.201 30.300 -0.044 0.000 0.880 171 R HN 0.209 nan 8.270 nan 0.000 0.451 172 L N 0.527 121.693 121.223 -0.096 0.000 2.592 172 L HA 0.084 4.426 4.340 0.002 0.000 0.227 172 L C 2.238 179.052 176.870 -0.093 0.000 1.127 172 L CA 0.119 54.912 54.840 -0.078 0.000 0.884 172 L CB -0.125 41.903 42.059 -0.052 0.000 1.065 172 L HN 0.087 nan 8.230 nan 0.000 0.457 173 K N 1.453 121.744 120.400 -0.182 0.000 2.001 173 K HA -0.261 4.060 4.320 0.002 0.000 0.214 173 K C 2.185 178.587 176.600 -0.331 0.000 1.050 173 K CA 1.897 57.924 56.287 -0.435 0.000 0.934 173 K CB -0.120 31.970 32.500 -0.684 0.000 0.718 173 K HN 0.273 nan 8.250 nan 0.000 0.443 174 A N 1.328 124.003 122.820 -0.242 0.000 1.873 174 A HA -0.248 4.073 4.320 0.002 0.000 0.218 174 A C 2.037 179.548 177.584 -0.121 0.000 1.193 174 A CA 2.165 54.098 52.037 -0.173 0.000 0.629 174 A CB -0.550 18.365 19.000 -0.141 0.000 0.826 174 A HN 0.385 nan 8.150 nan 0.000 0.447 175 K N -1.220 119.116 120.400 -0.106 0.000 2.001 175 K HA -0.056 4.265 4.320 0.002 0.000 0.208 175 K C 2.167 178.746 176.600 -0.036 0.000 1.048 175 K CA 1.466 57.711 56.287 -0.071 0.000 0.932 175 K CB -0.291 32.162 32.500 -0.078 0.000 0.715 175 K HN 0.385 nan 8.250 nan 0.000 0.437 176 M N 0.895 120.482 119.600 -0.020 0.000 2.202 176 M HA -0.131 4.350 4.480 0.002 0.000 0.262 176 M C 2.115 178.443 176.300 0.047 0.000 1.063 176 M CA 1.434 56.750 55.300 0.027 0.000 1.097 176 M CB -0.913 31.735 32.600 0.079 0.000 1.382 176 M HN 0.016 nan 8.290 nan 0.000 0.413 177 S N 0.928 116.644 115.700 0.026 0.000 2.399 177 S HA -0.020 4.451 4.470 0.002 0.000 0.231 177 S C 1.918 176.525 174.600 0.012 0.000 1.022 177 S CA 0.897 59.119 58.200 0.037 0.000 0.983 177 S CB -0.271 62.904 63.200 -0.042 0.000 0.803 177 S HN 0.468 nan 8.310 nan 0.000 0.480 178 L N 1.315 122.533 121.223 -0.009 0.000 2.478 178 L HA 0.095 4.436 4.340 0.002 0.000 0.223 178 L C 0.000 176.867 176.870 -0.005 0.000 1.140 178 L CA 0.138 54.972 54.840 -0.010 0.000 0.842 178 L CB -0.270 41.778 42.059 -0.017 0.000 0.953 178 L HN 0.079 nan 8.230 nan 0.000 0.452 179 V N 1.234 121.146 119.914 -0.003 0.000 2.368 179 V HA 0.144 4.265 4.120 0.002 0.000 0.266 179 V C -0.206 175.874 176.094 -0.023 0.000 1.045 179 V CA -0.293 61.998 62.300 -0.013 0.000 0.899 179 V CB 0.737 32.552 31.823 -0.013 0.000 1.006 179 V HN 0.157 nan 8.190 nan 0.000 0.470 180 K N 6.085 126.464 120.400 -0.034 0.000 2.292 180 K HA 0.608 4.929 4.320 0.002 0.000 0.257 180 K C -2.730 173.827 176.600 -0.071 0.000 0.940 180 K CA -1.698 54.565 56.287 -0.040 0.000 0.811 180 K CB 1.562 34.048 32.500 -0.023 0.000 1.120 180 K HN 0.325 nan 8.250 nan 0.000 0.428 181 P HA 0.090 nan 4.420 nan 0.000 0.269 181 P C -0.693 176.561 177.300 -0.077 0.000 1.209 181 P CA -0.296 62.741 63.100 -0.105 0.000 0.776 181 P CB 0.504 32.159 31.700 -0.076 0.000 0.876 182 L N 4.670 125.821 121.223 -0.121 0.000 2.436 182 L HA 0.339 4.680 4.340 0.002 0.000 0.265 182 L C -1.782 175.169 176.870 0.135 0.000 1.168 182 L CA -2.078 52.745 54.840 -0.027 0.000 0.815 182 L CB 0.130 42.109 42.059 -0.134 0.000 1.109 182 L HN 0.274 nan 8.230 nan 0.000 0.462 183 P HA 0.014 nan 4.420 nan 0.000 0.269 183 P C -0.678 176.767 177.300 0.241 0.000 1.209 183 P CA -0.016 63.170 63.100 0.144 0.000 0.776 183 P CB 1.537 33.296 31.700 0.099 0.000 0.876 184 S N 1.704 117.501 115.700 0.163 0.000 2.841 184 S HA 0.583 5.055 4.470 0.002 0.000 0.318 184 S C -0.421 174.185 174.600 0.011 0.000 1.127 184 S CA -0.973 57.318 58.200 0.152 0.000 0.883 184 S CB 0.636 63.950 63.200 0.190 0.000 1.271 184 S HN 0.285 nan 8.310 nan 0.000 0.567 185 I N 2.457 123.002 120.570 -0.042 0.000 2.304 185 I HA 0.298 4.470 4.170 0.002 0.000 0.291 185 I C -1.059 174.968 176.117 -0.151 0.000 1.018 185 I CA -0.357 60.788 61.300 -0.258 0.000 1.260 185 I CB 0.779 38.472 38.000 -0.512 0.000 1.390 185 I HN 0.585 nan 8.210 nan 0.000 0.475 186 Y N 7.585 127.750 120.300 -0.225 0.000 2.345 186 Y HA 0.422 4.973 4.550 0.002 0.000 0.331 186 Y C -1.256 174.719 175.900 0.125 0.000 0.959 186 Y CA -0.815 57.249 58.100 -0.060 0.000 1.204 186 Y CB 0.861 39.334 38.460 0.022 0.000 1.135 186 Y HN 0.431 nan 8.280 nan 0.000 0.477 187 Y N 8.430 128.733 120.300 0.005 0.000 2.464 187 Y HA 0.230 4.781 4.550 0.002 0.000 0.326 187 Y C -1.835 174.000 175.900 -0.109 0.000 0.969 187 Y CA -2.560 55.514 58.100 -0.043 0.000 1.270 187 Y CB 1.331 39.957 38.460 0.277 0.000 1.103 187 Y HN 0.656 nan 8.280 nan 0.000 0.491 188 P HA -0.281 nan 4.420 nan 0.000 0.220 188 P C 0.994 178.299 177.300 0.009 0.000 1.155 188 P CA 1.803 64.730 63.100 -0.287 0.000 0.880 188 P CB 0.341 31.866 31.700 -0.291 0.000 0.790 189 D N -2.453 117.919 120.400 -0.048 0.000 2.312 189 D HA -0.102 4.540 4.640 0.002 0.000 0.211 189 D C 1.169 177.315 176.300 -0.257 0.000 0.964 189 D CA 0.625 54.505 54.000 -0.199 0.000 0.877 189 D CB -0.449 40.118 40.800 -0.389 0.000 0.924 189 D HN 0.121 nan 8.370 nan 0.000 0.515 190 F N 0.337 120.353 119.950 0.111 0.000 2.743 190 F HA 0.217 4.745 4.527 0.002 0.000 0.297 190 F C 1.118 177.000 175.800 0.137 0.000 1.131 190 F CA 0.114 58.190 58.000 0.126 0.000 1.426 190 F CB -0.050 39.042 39.000 0.154 0.000 1.116 190 F HN -0.020 nan 8.300 nan 0.000 0.583 191 I N -3.341 117.401 120.570 0.288 0.000 3.239 191 I HA 0.810 4.982 4.170 0.002 0.000 0.314 191 I C 0.017 176.216 176.117 0.137 0.000 1.126 191 I CA -1.943 59.488 61.300 0.219 0.000 0.973 191 I CB 1.120 39.267 38.000 0.245 0.000 1.252 191 I HN -0.260 nan 8.210 nan 0.000 0.463 192 A N 1.495 124.359 122.820 0.075 0.000 2.555 192 A HA 0.422 4.743 4.320 0.002 0.000 0.233 192 A C 1.378 178.969 177.584 0.011 0.000 1.060 192 A CA 0.500 52.537 52.037 -0.001 0.000 0.759 192 A CB 0.108 19.051 19.000 -0.095 0.000 0.995 192 A HN 1.161 nan 8.150 nan 0.000 0.506 193 A N 2.205 125.017 122.820 -0.014 0.000 1.933 193 A HA -0.191 4.130 4.320 0.002 0.000 0.218 193 A C 1.640 179.223 177.584 -0.003 0.000 1.175 193 A CA 1.924 53.969 52.037 0.013 0.000 0.628 193 A CB -0.940 18.056 19.000 -0.006 0.000 0.814 193 A HN 1.151 nan 8.150 nan 0.000 0.444 194 N N -0.313 118.326 118.700 -0.102 0.000 2.585 194 N HA -0.143 4.598 4.740 0.002 0.000 0.188 194 N C 1.114 176.620 175.510 -0.007 0.000 1.102 194 N CA 1.169 54.148 53.050 -0.118 0.000 0.920 194 N CB -0.292 37.895 38.487 -0.499 0.000 0.963 194 N HN 0.456 nan 8.380 nan 0.000 0.447 195 Q N -0.170 119.627 119.800 -0.006 0.000 2.360 195 Q HA 0.023 4.365 4.340 0.002 0.000 0.202 195 Q C 0.756 176.737 176.000 -0.032 0.000 0.915 195 Q CA 0.127 55.929 55.803 -0.000 0.000 0.943 195 Q CB 0.046 28.776 28.738 -0.014 0.000 1.064 195 Q HN 0.528 nan 8.270 nan 0.000 0.511 196 D N 1.931 122.363 120.400 0.053 0.000 2.106 196 D HA -0.244 4.398 4.640 0.002 0.000 0.191 196 D C 1.572 177.890 176.300 0.030 0.000 0.997 196 D CA 1.264 55.327 54.000 0.105 0.000 0.834 196 D CB 0.295 41.178 40.800 0.138 0.000 0.956 196 D HN 0.391 nan 8.370 nan 0.000 0.448 197 E N 0.193 120.412 120.200 0.031 0.000 2.204 197 E HA -0.193 4.159 4.350 0.002 0.000 0.195 197 E C 2.272 178.861 176.600 -0.018 0.000 0.990 197 E CA 0.448 56.859 56.400 0.019 0.000 0.821 197 E CB -0.001 29.718 29.700 0.032 0.000 0.750 197 E HN 0.144 nan 8.360 nan 0.000 0.477 198 R N 0.278 120.749 120.500 -0.048 0.000 2.115 198 R HA 0.012 4.353 4.340 0.002 0.000 0.230 198 R C 0.333 176.551 176.300 -0.137 0.000 1.111 198 R CA 0.756 56.809 56.100 -0.079 0.000 0.976 198 R CB -0.085 30.168 30.300 -0.078 0.000 0.870 198 R HN 0.046 nan 8.270 nan 0.000 0.445 199 A N 2.067 124.747 122.820 -0.233 0.000 2.544 199 A HA 0.049 4.371 4.320 0.002 0.000 0.301 199 A C -0.163 177.363 177.584 -0.097 0.000 1.368 199 A CA -0.098 51.759 52.037 -0.300 0.000 1.045 199 A CB -0.647 17.887 19.000 -0.776 0.000 1.129 199 A HN 0.746 nan 8.150 nan 0.000 0.540 200 N N 1.133 119.799 118.700 -0.057 0.000 2.301 200 N HA 0.072 4.814 4.740 0.002 0.000 0.247 200 N C -0.424 175.090 175.510 0.006 0.000 1.347 200 N CA -0.368 52.678 53.050 -0.006 0.000 0.844 200 N CB 0.394 38.878 38.487 -0.005 0.000 1.332 200 N HN 0.560 nan 8.380 nan 0.000 0.494 201 N N 0.999 119.701 118.700 0.002 0.000 2.672 201 N HA 0.229 4.971 4.740 0.002 0.000 0.295 201 N C -1.306 174.228 175.510 0.040 0.000 1.924 201 N CA -0.415 52.648 53.050 0.021 0.000 0.851 201 N CB 0.642 39.135 38.487 0.009 0.000 1.281 201 N HN 0.187 nan 8.380 nan 0.000 0.494 202 C N 1.105 120.437 119.300 0.053 0.000 2.358 202 C HA 0.419 4.880 4.460 0.002 0.000 0.342 202 C C 2.122 177.138 174.990 0.043 0.000 1.234 202 C CA -0.778 58.277 59.018 0.062 0.000 1.969 202 C CB 0.364 28.172 27.740 0.114 0.000 2.346 202 C HN 0.598 nan 8.230 nan 0.000 0.525 203 I N 0.550 121.122 120.570 0.004 0.000 3.462 203 I HA 0.094 4.265 4.170 0.002 0.000 0.290 203 I C 0.794 176.900 176.117 -0.018 0.000 1.236 203 I CA 0.487 61.788 61.300 0.002 0.000 1.418 203 I CB -0.365 37.628 38.000 -0.012 0.000 1.102 203 I HN 0.701 nan 8.210 nan 0.000 0.441 204 N N 3.985 122.621 118.700 -0.107 0.000 2.807 204 N HA 0.315 5.056 4.740 0.002 0.000 0.259 204 N C -0.998 174.557 175.510 0.074 0.000 1.149 204 N CA -0.022 52.985 53.050 -0.071 0.000 1.042 204 N CB 0.718 38.995 38.487 -0.350 0.000 1.367 204 N HN 0.435 nan 8.380 nan 0.000 0.516 205 L N 1.147 122.428 121.223 0.096 0.000 2.385 205 L HA 0.312 4.653 4.340 0.002 0.000 0.273 205 L C 0.201 177.124 176.870 0.088 0.000 0.990 205 L CA -1.203 53.690 54.840 0.088 0.000 0.821 205 L CB 1.701 43.805 42.059 0.074 0.000 1.279 205 L HN 0.326 nan 8.230 nan 0.000 0.412 206 D N 1.147 121.593 120.400 0.076 0.000 2.314 206 D HA -0.062 4.579 4.640 0.002 0.000 0.252 206 D C 1.038 177.369 176.300 0.052 0.000 1.295 206 D CA -0.188 53.849 54.000 0.063 0.000 0.995 206 D CB 0.443 41.273 40.800 0.049 0.000 1.125 206 D HN 0.715 nan 8.370 nan 0.000 0.537 207 E N -0.121 120.104 120.200 0.042 0.000 2.085 207 E HA -0.276 4.076 4.350 0.002 0.000 0.194 207 E C 1.517 178.137 176.600 0.034 0.000 0.994 207 E CA 1.040 57.461 56.400 0.035 0.000 0.801 207 E CB -0.424 29.293 29.700 0.028 0.000 0.743 207 E HN 0.413 nan 8.360 nan 0.000 0.453 208 K N 0.118 120.538 120.400 0.033 0.000 2.504 208 K HA 0.012 4.333 4.320 0.002 0.000 0.195 208 K C 1.079 177.701 176.600 0.036 0.000 1.036 208 K CA 0.526 56.832 56.287 0.031 0.000 0.984 208 K CB 0.020 32.537 32.500 0.029 0.000 0.788 208 K HN 0.442 nan 8.250 nan 0.000 0.488 209 G N 1.666 110.492 108.800 0.043 0.000 2.143 209 G HA2 -0.272 3.689 3.960 0.002 0.000 0.249 209 G HA3 -0.272 3.689 3.960 0.002 0.000 0.249 209 G C -0.341 174.593 174.900 0.056 0.000 0.981 209 G CA -0.008 45.121 45.100 0.048 0.000 0.665 209 G HN 0.416 nan 8.290 nan 0.000 0.528 210 N N -0.674 118.059 118.700 0.055 0.000 2.463 210 N HA 0.467 5.208 4.740 0.002 0.000 0.270 210 N C 0.469 176.022 175.510 0.072 0.000 1.205 210 N CA -0.709 52.378 53.050 0.061 0.000 0.974 210 N CB 1.589 40.105 38.487 0.048 0.000 1.197 210 N HN 0.000 nan 8.380 nan 0.000 0.504 211 V N 0.811 120.774 119.914 0.082 0.000 2.599 211 V HA 0.047 4.169 4.120 0.002 0.000 0.300 211 V C 0.633 176.760 176.094 0.056 0.000 1.034 211 V CA 0.688 63.039 62.300 0.084 0.000 1.115 211 V CB 0.834 32.700 31.823 0.072 0.000 0.934 211 V HN 0.685 nan 8.190 nan 0.000 0.485 212 T N 2.332 116.937 114.554 0.084 0.000 2.971 212 T HA 0.357 4.709 4.350 0.002 0.000 0.304 212 T C 0.412 175.183 174.700 0.118 0.000 1.038 212 T CA 0.034 62.181 62.100 0.077 0.000 1.007 212 T CB 1.451 70.372 68.868 0.088 0.000 1.055 212 T HN 0.902 nan 8.240 nan 0.000 0.451 213 T N 1.771 116.322 114.554 -0.005 0.000 3.278 213 T HA 0.312 4.663 4.350 0.002 0.000 0.251 213 T C 0.551 175.184 174.700 -0.112 0.000 1.039 213 T CA -0.448 61.530 62.100 -0.204 0.000 0.935 213 T CB -0.292 68.337 68.868 -0.399 0.000 1.034 213 T HN 0.538 nan 8.240 nan 0.000 0.575 214 R N 0.440 120.956 120.500 0.027 0.000 2.407 214 R HA 0.532 4.873 4.340 0.002 0.000 0.303 214 R C 0.637 176.931 176.300 -0.010 0.000 0.981 214 R CA 0.302 56.401 56.100 -0.002 0.000 0.905 214 R CB 0.473 30.774 30.300 0.003 0.000 1.099 214 R HN 0.385 nan 8.270 nan 0.000 0.459 215 G N 3.419 112.152 108.800 -0.112 0.000 2.164 215 G HA2 -0.224 3.737 3.960 0.002 0.000 0.212 215 G HA3 -0.224 3.737 3.960 0.002 0.000 0.212 215 G C 0.435 174.939 174.900 -0.660 0.000 1.031 215 G CA 0.185 45.134 45.100 -0.250 0.000 0.730 215 G HN 0.746 nan 8.290 nan 0.000 0.501 216 K N -1.044 119.148 120.400 -0.346 0.000 2.281 216 K HA -0.099 4.223 4.320 0.002 0.000 0.203 216 K C 1.918 178.457 176.600 -0.101 0.000 1.046 216 K CA 1.307 57.496 56.287 -0.165 0.000 0.938 216 K CB -0.036 32.513 32.500 0.081 0.000 0.737 216 K HN 0.662 nan 8.250 nan 0.000 0.458 217 W N 1.651 122.821 121.300 -0.216 0.000 2.518 217 W HA -0.073 4.588 4.660 0.002 0.000 0.273 217 W C 1.093 177.530 176.519 -0.135 0.000 1.247 217 W CA 1.016 58.279 57.345 -0.136 0.000 1.288 217 W CB 0.125 29.524 29.460 -0.101 0.000 1.107 217 W HN 0.005 nan 8.180 nan 0.000 0.586 218 T N -0.231 114.254 114.554 -0.116 0.000 2.857 218 T HA -0.162 4.189 4.350 0.002 0.000 0.266 218 T C 1.199 175.841 174.700 -0.097 0.000 1.048 218 T CA 1.702 63.740 62.100 -0.103 0.000 1.139 218 T CB -0.462 68.375 68.868 -0.053 0.000 0.874 218 T HN 0.328 nan 8.240 nan 0.000 0.455 219 H N 0.711 119.720 119.070 -0.101 0.000 2.321 219 H HA 0.014 4.571 4.556 0.002 0.000 0.300 219 H C 2.395 177.537 175.328 -0.309 0.000 1.087 219 H CA 0.782 56.731 56.048 -0.166 0.000 1.319 219 H CB -0.145 29.549 29.762 -0.114 0.000 1.379 219 H HN 0.064 nan 8.280 nan 0.000 0.501 220 L N 1.283 122.347 121.223 -0.264 0.000 2.043 220 L HA -0.232 4.109 4.340 0.002 0.000 0.212 220 L C 1.824 178.432 176.870 -0.436 0.000 1.075 220 L CA 1.770 56.339 54.840 -0.451 0.000 0.752 220 L CB -0.633 41.028 42.059 -0.664 0.000 0.891 220 L HN 0.394 nan 8.230 nan 0.000 0.432 221 Q N -0.381 119.154 119.800 -0.441 0.000 2.167 221 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 221 Q C 2.224 178.136 176.000 -0.146 0.000 0.970 221 Q CA 1.312 56.938 55.803 -0.295 0.000 0.855 221 Q CB -0.434 28.166 28.738 -0.232 0.000 0.911 221 Q HN 0.436 nan 8.270 nan 0.000 0.438 222 R N 1.142 121.574 120.500 -0.113 0.000 2.066 222 R HA -0.062 4.279 4.340 0.002 0.000 0.232 222 R C 2.091 178.377 176.300 -0.024 0.000 1.131 222 R CA 1.040 57.119 56.100 -0.035 0.000 0.955 222 R CB -0.623 29.675 30.300 -0.004 0.000 0.851 222 R HN 0.118 nan 8.270 nan 0.000 0.432 223 I N 1.147 121.632 120.570 -0.143 0.000 2.151 223 I HA -0.275 3.896 4.170 0.002 0.000 0.243 223 I C 2.229 178.356 176.117 0.016 0.000 1.080 223 I CA 1.614 62.821 61.300 -0.156 0.000 1.339 223 I CB -1.108 36.564 38.000 -0.546 0.000 1.039 223 I HN 0.249 nan 8.210 nan 0.000 0.409 224 R N 0.092 120.556 120.500 -0.061 0.000 2.081 224 R HA -0.191 4.150 4.340 0.002 0.000 0.235 224 R C 2.380 178.717 176.300 0.061 0.000 1.131 224 R CA 1.237 57.336 56.100 -0.002 0.000 0.960 224 R CB -0.390 29.869 30.300 -0.070 0.000 0.856 224 R HN 0.162 nan 8.270 nan 0.000 0.436 225 R N 1.340 121.867 120.500 0.046 0.000 2.115 225 R HA -0.101 4.240 4.340 0.002 0.000 0.230 225 R C 1.309 177.686 176.300 0.128 0.000 1.111 225 R CA 1.608 57.751 56.100 0.071 0.000 0.976 225 R CB -0.511 29.819 30.300 0.050 0.000 0.870 225 R HN 0.140 nan 8.270 nan 0.000 0.445 226 D N 0.055 120.569 120.400 0.189 0.000 2.104 226 D HA -0.148 4.493 4.640 0.002 0.000 0.194 226 D C 1.897 178.362 176.300 0.275 0.000 0.994 226 D CA 1.648 55.811 54.000 0.272 0.000 0.830 226 D CB -0.158 40.958 40.800 0.527 0.000 0.959 226 D HN 0.285 nan 8.370 nan 0.000 0.452 227 I N 0.857 121.617 120.570 0.316 0.000 2.142 227 I HA -0.313 3.858 4.170 0.002 0.000 0.240 227 I C 2.494 178.750 176.117 0.231 0.000 1.078 227 I CA 1.166 62.649 61.300 0.305 0.000 1.343 227 I CB -0.294 37.876 38.000 0.283 0.000 1.046 227 I HN 0.023 nan 8.210 nan 0.000 0.405 228 Q N 0.669 120.562 119.800 0.155 0.000 2.030 228 Q HA -0.237 4.105 4.340 0.002 0.000 0.204 228 Q C 1.984 178.037 176.000 0.087 0.000 0.986 228 Q CA 2.053 57.915 55.803 0.099 0.000 0.843 228 Q CB -0.484 28.296 28.738 0.070 0.000 0.904 228 Q HN 0.583 nan 8.270 nan 0.000 0.420 229 N N 0.151 118.914 118.700 0.105 0.000 2.018 229 N HA -0.204 4.537 4.740 0.002 0.000 0.196 229 N C 1.667 177.231 175.510 0.090 0.000 1.043 229 N CA 1.220 54.321 53.050 0.086 0.000 0.856 229 N CB -0.274 38.272 38.487 0.098 0.000 1.042 229 N HN 0.128 nan 8.380 nan 0.000 0.423 230 F N 2.447 122.392 119.950 -0.007 0.000 2.091 230 F HA -0.236 4.292 4.527 0.002 0.000 0.299 230 F C 2.313 178.099 175.800 -0.023 0.000 1.103 230 F CA 1.588 59.565 58.000 -0.038 0.000 1.228 230 F CB -0.333 38.621 39.000 -0.077 0.000 0.984 230 F HN -0.108 nan 8.300 nan 0.000 0.477 231 K N 0.471 120.752 120.400 -0.198 0.000 2.009 231 K HA -0.266 4.055 4.320 0.002 0.000 0.210 231 K C 2.178 178.638 176.600 -0.234 0.000 1.049 231 K CA 2.083 58.202 56.287 -0.280 0.000 0.929 231 K CB -0.435 32.032 32.500 -0.055 0.000 0.714 231 K HN 0.653 nan 8.250 nan 0.000 0.440 232 E N 0.088 120.215 120.200 -0.121 0.000 2.152 232 E HA -0.189 4.162 4.350 0.002 0.000 0.192 232 E C 1.528 178.065 176.600 -0.104 0.000 0.983 232 E CA 1.148 57.495 56.400 -0.089 0.000 0.818 232 E CB -0.160 29.517 29.700 -0.040 0.000 0.758 232 E HN 0.409 nan 8.360 nan 0.000 0.467 233 E N 0.516 120.647 120.200 -0.115 0.000 2.333 233 E HA -0.056 4.295 4.350 0.002 0.000 0.198 233 E C 1.121 177.637 176.600 -0.139 0.000 1.007 233 E CA 0.691 57.033 56.400 -0.095 0.000 0.845 233 E CB 0.041 29.709 29.700 -0.053 0.000 0.766 233 E HN 0.321 nan 8.360 nan 0.000 0.507 234 N N -0.574 117.981 118.700 -0.243 0.000 2.171 234 N HA 0.157 4.898 4.740 0.002 0.000 0.212 234 N C -0.129 175.274 175.510 -0.179 0.000 1.184 234 N CA 0.638 53.542 53.050 -0.244 0.000 0.888 234 N CB 1.420 39.644 38.487 -0.438 0.000 1.038 234 N HN 0.018 nan 8.380 nan 0.000 0.517 235 A N 0.936 123.667 122.820 -0.148 0.000 2.783 235 A HA -0.205 4.116 4.320 0.002 0.000 0.292 235 A C 0.077 177.600 177.584 -0.101 0.000 1.495 235 A CA 0.660 52.638 52.037 -0.099 0.000 0.787 235 A CB -2.350 16.610 19.000 -0.067 0.000 1.017 235 A HN 0.310 nan 8.150 nan 0.000 0.516 236 L N -0.894 120.243 121.223 -0.144 0.000 2.399 236 L HA 0.471 4.812 4.340 0.002 0.000 0.265 236 L C 1.057 177.885 176.870 -0.071 0.000 1.089 236 L CA -0.749 54.021 54.840 -0.117 0.000 0.802 236 L CB 0.708 42.657 42.059 -0.183 0.000 1.180 236 L HN 0.298 nan 8.230 nan 0.000 0.454 237 D N -0.133 120.244 120.400 -0.039 0.000 2.422 237 D HA 0.124 4.765 4.640 0.002 0.000 0.218 237 D C 0.011 176.308 176.300 -0.006 0.000 1.047 237 D CA 0.793 54.781 54.000 -0.020 0.000 0.885 237 D CB 0.760 41.553 40.800 -0.013 0.000 1.035 237 D HN 0.394 nan 8.370 nan 0.000 0.502 238 K N 0.570 120.972 120.400 0.003 0.000 2.426 238 K HA 0.649 4.970 4.320 0.002 0.000 0.251 238 K C -1.036 175.591 176.600 0.045 0.000 0.941 238 K CA -0.724 55.578 56.287 0.025 0.000 0.808 238 K CB 3.620 36.137 32.500 0.029 0.000 1.265 238 K HN -0.278 nan 8.250 nan 0.000 0.432 239 V N 2.839 122.796 119.914 0.072 0.000 3.049 239 V HA 0.546 4.667 4.120 0.002 0.000 0.309 239 V C -0.869 175.277 176.094 0.088 0.000 1.148 239 V CA -0.878 61.491 62.300 0.116 0.000 0.990 239 V CB 2.405 34.355 31.823 0.212 0.000 1.039 239 V HN 0.662 nan 8.190 nan 0.000 0.430 240 I N 2.433 123.033 120.570 0.050 0.000 2.582 240 I HA 0.554 4.725 4.170 0.002 0.000 0.292 240 I C -0.964 175.172 176.117 0.032 0.000 1.066 240 I CA -0.976 60.346 61.300 0.036 0.000 1.053 240 I CB 2.376 40.356 38.000 -0.034 0.000 1.241 240 I HN 0.250 nan 8.210 nan 0.000 0.421 241 V N 6.571 126.539 119.914 0.090 0.000 2.435 241 V HA 0.484 4.605 4.120 0.002 0.000 0.290 241 V C -0.422 175.613 176.094 -0.098 0.000 1.030 241 V CA -0.567 61.797 62.300 0.106 0.000 0.881 241 V CB 1.955 33.984 31.823 0.343 0.000 0.983 241 V HN 0.469 nan 8.190 nan 0.000 0.445 242 L N 4.984 126.131 121.223 -0.127 0.000 2.409 242 L HA 0.526 4.868 4.340 0.002 0.000 0.272 242 L C -1.025 175.752 176.870 -0.156 0.000 0.980 242 L CA -0.353 54.363 54.840 -0.207 0.000 0.826 242 L CB 1.594 43.565 42.059 -0.146 0.000 1.268 242 L HN 0.816 nan 8.230 nan 0.000 0.407 243 W N 5.459 126.528 121.300 -0.385 0.000 2.388 243 W HA 0.287 4.948 4.660 0.002 0.000 0.308 243 W C -0.495 175.928 176.519 -0.160 0.000 1.263 243 W CA -0.172 57.018 57.345 -0.258 0.000 1.286 243 W CB 1.464 30.799 29.460 -0.208 0.000 1.294 243 W HN 0.610 nan 8.180 nan 0.000 0.493 244 T N 4.695 118.982 114.554 -0.446 0.000 3.533 244 T HA 0.481 4.833 4.350 0.002 0.000 0.275 244 T C -0.189 174.241 174.700 -0.451 0.000 1.000 244 T CA -0.080 61.851 62.100 -0.281 0.000 1.015 244 T CB -0.808 67.964 68.868 -0.161 0.000 1.153 244 T HN 0.445 nan 8.240 nan 0.000 0.504 245 A N 1.135 123.400 122.820 -0.924 0.000 2.261 245 A HA 0.673 4.994 4.320 0.002 0.000 0.323 245 A C 0.233 177.706 177.584 -0.185 0.000 1.107 245 A CA -0.861 50.742 52.037 -0.724 0.000 0.883 245 A CB 0.480 18.682 19.000 -1.330 0.000 1.251 245 A HN 0.683 nan 8.150 nan 0.000 0.502 246 N N 0.312 118.982 118.700 -0.050 0.000 2.294 246 N HA -0.004 4.737 4.740 0.002 0.000 0.248 246 N C -0.377 175.306 175.510 0.289 0.000 1.242 246 N CA 0.667 53.786 53.050 0.115 0.000 0.848 246 N CB 0.186 38.733 38.487 0.101 0.000 1.084 246 N HN 0.572 nan 8.380 nan 0.000 0.457 247 T N 2.506 117.200 114.554 0.232 0.000 2.853 247 T HA 0.026 4.377 4.350 0.002 0.000 0.298 247 T C 0.396 175.226 174.700 0.217 0.000 0.978 247 T CA 0.152 62.390 62.100 0.229 0.000 1.152 247 T CB 0.334 69.301 68.868 0.164 0.000 0.914 247 T HN 0.362 nan 8.240 nan 0.000 0.539 248 E N 1.902 122.221 120.200 0.197 0.000 2.292 248 E HA 0.382 4.733 4.350 0.002 0.000 0.258 248 E C 0.525 177.238 176.600 0.189 0.000 1.115 248 E CA -1.029 55.497 56.400 0.209 0.000 0.929 248 E CB 0.973 30.771 29.700 0.165 0.000 1.161 248 E HN 0.581 nan 8.360 nan 0.000 0.453 249 R N -0.003 120.634 120.500 0.229 0.000 2.583 249 R HA 0.224 4.565 4.340 0.002 0.000 0.268 249 R C -0.664 175.801 176.300 0.274 0.000 1.101 249 R CA -0.568 55.664 56.100 0.221 0.000 1.180 249 R CB 0.174 30.560 30.300 0.142 0.000 1.128 249 R HN 0.398 nan 8.270 nan 0.000 0.568 250 Y N 0.366 120.698 120.300 0.053 0.000 2.379 250 Y HA 0.161 4.712 4.550 0.002 0.000 0.337 250 Y C 0.588 176.538 175.900 0.084 0.000 1.238 250 Y CA -0.413 57.713 58.100 0.044 0.000 1.405 250 Y CB 1.165 39.635 38.460 0.016 0.000 1.310 250 Y HN 0.452 nan 8.280 nan 0.000 0.569 251 V N 0.487 120.517 119.914 0.193 0.000 2.612 251 V HA 0.471 4.592 4.120 0.002 0.000 0.301 251 V C -0.156 176.035 176.094 0.162 0.000 1.046 251 V CA -1.259 61.160 62.300 0.198 0.000 0.946 251 V CB 1.640 33.565 31.823 0.171 0.000 1.003 251 V HN 0.577 nan 8.190 nan 0.000 0.459 252 E N 2.520 122.810 120.200 0.150 0.000 2.324 252 E HA 0.284 4.635 4.350 0.002 0.000 0.271 252 E C -0.647 176.009 176.600 0.095 0.000 1.028 252 E CA 0.023 56.493 56.400 0.118 0.000 0.890 252 E CB 1.656 31.419 29.700 0.106 0.000 1.004 252 E HN 0.667 nan 8.360 nan 0.000 0.431 253 V N 3.630 123.590 119.914 0.076 0.000 2.383 253 V HA 0.281 4.402 4.120 0.002 0.000 0.275 253 V C 0.270 176.385 176.094 0.034 0.000 1.036 253 V CA -0.336 61.992 62.300 0.047 0.000 0.889 253 V CB 1.021 32.874 31.823 0.051 0.000 0.985 253 V HN 0.711 nan 8.190 nan 0.000 0.459 254 S N 5.641 121.346 115.700 0.008 0.000 2.564 254 S HA 0.694 5.165 4.470 0.002 0.000 0.274 254 S C -3.161 171.426 174.600 -0.021 0.000 1.124 254 S CA -1.656 56.544 58.200 0.002 0.000 0.869 254 S CB 2.510 65.717 63.200 0.011 0.000 1.105 254 S HN 0.500 nan 8.310 nan 0.000 0.472 255 P HA 0.273 nan 4.420 nan 0.000 0.268 255 P C 1.080 178.359 177.300 -0.034 0.000 1.204 255 P CA 1.292 64.382 63.100 -0.016 0.000 0.768 255 P CB 0.310 32.007 31.700 -0.004 0.000 0.842 256 G N 1.487 110.263 108.800 -0.040 0.000 2.184 256 G HA2 -0.277 3.684 3.960 0.002 0.000 0.264 256 G HA3 -0.277 3.684 3.960 0.002 0.000 0.264 256 G C 0.572 175.413 174.900 -0.098 0.000 0.975 256 G CA 0.330 45.398 45.100 -0.053 0.000 0.642 256 G HN 0.420 nan 8.290 nan 0.000 0.536 257 V N 0.418 120.248 119.914 -0.139 0.000 2.784 257 V HA 0.212 4.333 4.120 0.002 0.000 0.231 257 V C 1.511 177.495 176.094 -0.184 0.000 1.128 257 V CA 1.787 63.925 62.300 -0.270 0.000 1.178 257 V CB -0.044 31.522 31.823 -0.429 0.000 0.943 257 V HN 0.718 nan 8.190 nan 0.000 0.500 258 N N -0.096 118.533 118.700 -0.117 0.000 2.466 258 N HA 0.042 4.784 4.740 0.002 0.000 0.272 258 N C 0.093 175.589 175.510 -0.024 0.000 1.455 258 N CA 0.411 53.424 53.050 -0.061 0.000 0.875 258 N CB 0.371 38.829 38.487 -0.049 0.000 1.372 258 N HN 0.478 nan 8.380 nan 0.000 0.492 259 D N 0.566 120.953 120.400 -0.022 0.000 2.333 259 D HA -0.050 4.592 4.640 0.002 0.000 0.208 259 D C 0.732 177.038 176.300 0.010 0.000 0.984 259 D CA 0.852 54.853 54.000 0.001 0.000 0.873 259 D CB 0.062 40.862 40.800 0.000 0.000 0.935 259 D HN 0.306 nan 8.370 nan 0.000 0.521 260 T N -4.452 110.102 114.554 -0.000 0.000 2.883 260 T HA 0.359 4.710 4.350 0.002 0.000 0.296 260 T C 0.966 175.665 174.700 -0.001 0.000 1.117 260 T CA -0.832 61.272 62.100 0.006 0.000 1.006 260 T CB 1.799 70.668 68.868 0.002 0.000 1.191 260 T HN -0.107 nan 8.240 nan 0.000 0.508 261 M N 0.560 120.160 119.600 0.001 0.000 2.106 261 M HA -0.130 4.351 4.480 0.002 0.000 0.259 261 M C 1.633 177.914 176.300 -0.031 0.000 1.068 261 M CA 1.934 57.223 55.300 -0.017 0.000 1.100 261 M CB -0.245 32.330 32.600 -0.042 0.000 1.351 261 M HN 0.696 nan 8.290 nan 0.000 0.404 262 E N 0.482 120.662 120.200 -0.034 0.000 2.046 262 E HA -0.107 4.244 4.350 0.002 0.000 0.190 262 E C 1.579 178.155 176.600 -0.040 0.000 0.982 262 E CA 1.478 57.853 56.400 -0.041 0.000 0.800 262 E CB -0.819 28.857 29.700 -0.039 0.000 0.756 262 E HN 0.712 nan 8.360 nan 0.000 0.449 263 N N 0.596 119.275 118.700 -0.036 0.000 2.188 263 N HA -0.140 4.601 4.740 0.002 0.000 0.184 263 N C 1.948 177.429 175.510 -0.049 0.000 1.018 263 N CA 0.501 53.523 53.050 -0.048 0.000 0.858 263 N CB -0.061 38.395 38.487 -0.052 0.000 0.989 263 N HN -0.010 nan 8.380 nan 0.000 0.426 264 L N 1.580 122.784 121.223 -0.031 0.000 1.976 264 L HA -0.100 4.241 4.340 0.002 0.000 0.209 264 L C 1.987 178.869 176.870 0.020 0.000 1.071 264 L CA 1.397 56.228 54.840 -0.016 0.000 0.746 264 L CB -0.453 41.602 42.059 -0.006 0.000 0.890 264 L HN 0.136 nan 8.230 nan 0.000 0.432 265 L N -0.794 120.450 121.223 0.035 0.000 2.127 265 L HA -0.241 4.100 4.340 0.002 0.000 0.211 265 L C 2.627 179.511 176.870 0.022 0.000 1.089 265 L CA 1.312 56.214 54.840 0.103 0.000 0.757 265 L CB -0.551 41.556 42.059 0.081 0.000 0.899 265 L HN 0.434 nan 8.230 nan 0.000 0.434 266 Q N -0.172 119.602 119.800 -0.042 0.000 2.049 266 Q HA -0.121 4.220 4.340 0.002 0.000 0.198 266 Q C 2.352 178.330 176.000 -0.037 0.000 0.971 266 Q CA 1.964 57.717 55.803 -0.083 0.000 0.833 266 Q CB -0.167 28.524 28.738 -0.080 0.000 0.896 266 Q HN 0.290 nan 8.270 nan 0.000 0.434 267 S N 0.198 115.889 115.700 -0.015 0.000 2.387 267 S HA -0.151 4.320 4.470 0.002 0.000 0.230 267 S C 1.837 176.486 174.600 0.082 0.000 1.035 267 S CA 1.331 59.546 58.200 0.024 0.000 1.014 267 S CB -0.385 62.790 63.200 -0.042 0.000 0.836 267 S HN 0.397 nan 8.310 nan 0.000 0.466 268 I N 1.189 121.818 120.570 0.099 0.000 2.179 268 I HA -0.234 3.937 4.170 0.002 0.000 0.242 268 I C 2.293 178.519 176.117 0.182 0.000 1.088 268 I CA 1.303 62.704 61.300 0.167 0.000 1.357 268 I CB -0.261 37.900 38.000 0.269 0.000 1.051 268 I HN 0.261 nan 8.210 nan 0.000 0.409 269 K N 0.538 121.004 120.400 0.111 0.000 2.148 269 K HA -0.107 4.214 4.320 0.002 0.000 0.204 269 K C 1.396 177.981 176.600 -0.025 0.000 1.050 269 K CA 1.284 57.558 56.287 -0.022 0.000 0.942 269 K CB -0.262 32.049 32.500 -0.314 0.000 0.724 269 K HN 0.457 nan 8.250 nan 0.000 0.446 270 N N 0.834 119.530 118.700 -0.007 0.000 2.398 270 N HA -0.055 4.686 4.740 0.002 0.000 0.188 270 N C -0.847 174.674 175.510 0.018 0.000 1.122 270 N CA -0.053 52.997 53.050 -0.000 0.000 0.866 270 N CB 0.373 38.870 38.487 0.016 0.000 0.970 270 N HN 0.043 nan 8.380 nan 0.000 0.462 271 D N 0.411 120.829 120.400 0.031 0.000 2.800 271 D HA -0.203 4.438 4.640 0.002 0.000 0.232 271 D C -0.072 176.236 176.300 0.013 0.000 1.137 271 D CA 0.880 54.881 54.000 0.002 0.000 0.718 271 D CB -1.994 38.779 40.800 -0.046 0.000 1.084 271 D HN 0.519 nan 8.370 nan 0.000 0.432 272 H N 0.576 119.640 119.070 -0.009 0.000 3.038 272 H HA 0.038 4.595 4.556 0.002 0.000 0.338 272 H C 1.411 176.755 175.328 0.026 0.000 1.041 272 H CA 1.025 57.075 56.048 0.004 0.000 1.394 272 H CB 0.686 30.457 29.762 0.016 0.000 1.357 272 H HN 0.110 nan 8.280 nan 0.000 0.600 273 E N 2.771 122.703 120.200 -0.447 0.000 2.472 273 E HA -0.111 4.240 4.350 0.002 0.000 0.200 273 E C 0.383 177.061 176.600 0.131 0.000 1.046 273 E CA 0.537 56.836 56.400 -0.169 0.000 0.871 273 E CB 0.287 29.829 29.700 -0.262 0.000 0.806 273 E HN 0.589 nan 8.360 nan 0.000 0.533 274 E N 0.493 120.889 120.200 0.326 0.000 2.423 274 E HA 0.112 4.463 4.350 0.002 0.000 0.198 274 E C -0.267 176.539 176.600 0.344 0.000 1.038 274 E CA -0.049 56.620 56.400 0.448 0.000 1.011 274 E CB 0.454 30.423 29.700 0.449 0.000 1.118 274 E HN 0.125 nan 8.360 nan 0.000 0.451 275 I N 1.679 122.416 120.570 0.279 0.000 2.371 275 I HA 0.316 4.487 4.170 0.002 0.000 0.282 275 I C 0.464 176.496 176.117 -0.143 0.000 1.031 275 I CA -0.696 60.651 61.300 0.078 0.000 1.180 275 I CB 0.649 38.709 38.000 0.101 0.000 1.336 275 I HN -0.136 nan 8.210 nan 0.000 0.467 276 A N 8.806 131.353 122.820 -0.454 0.000 2.272 276 A HA 0.588 4.909 4.320 0.002 0.000 0.275 276 A C -1.601 175.685 177.584 -0.497 0.000 1.096 276 A CA -1.119 50.266 52.037 -1.086 0.000 0.822 276 A CB 0.058 18.485 19.000 -0.954 0.000 1.088 276 A HN 0.455 nan 8.150 nan 0.000 0.495 277 P HA -0.162 nan 4.420 nan 0.000 0.216 277 P C 1.731 179.015 177.300 -0.026 0.000 1.150 277 P CA 2.256 65.198 63.100 -0.263 0.000 0.837 277 P CB 0.031 31.672 31.700 -0.098 0.000 0.786 278 S N -1.924 113.585 115.700 -0.317 0.000 2.382 278 S HA -0.143 4.328 4.470 0.002 0.000 0.228 278 S C 1.878 176.236 174.600 -0.403 0.000 1.027 278 S CA 1.863 59.729 58.200 -0.556 0.000 0.991 278 S CB -1.975 60.482 63.200 -1.238 0.000 0.823 278 S HN 0.108 nan 8.310 nan 0.000 0.469 279 T N 3.186 117.515 114.554 -0.376 0.000 2.746 279 T HA 0.029 4.381 4.350 0.002 0.000 0.267 279 T C 1.735 176.280 174.700 -0.259 0.000 1.039 279 T CA 1.410 63.325 62.100 -0.308 0.000 1.142 279 T CB -0.361 68.378 68.868 -0.215 0.000 0.866 279 T HN 0.305 nan 8.240 nan 0.000 0.444 280 I N 0.314 120.748 120.570 -0.227 0.000 2.252 280 I HA -0.045 4.126 4.170 0.002 0.000 0.245 280 I C 2.123 178.018 176.117 -0.370 0.000 1.102 280 I CA 1.339 62.472 61.300 -0.278 0.000 1.385 280 I CB -1.307 36.507 38.000 -0.311 0.000 1.064 280 I HN 0.208 nan 8.210 nan 0.000 0.414 281 F N 1.401 121.171 119.950 -0.299 0.000 2.134 281 F HA -0.163 4.366 4.527 0.002 0.000 0.299 281 F C 2.669 178.204 175.800 -0.442 0.000 1.097 281 F CA 1.512 59.340 58.000 -0.287 0.000 1.264 281 F CB -0.574 38.389 39.000 -0.062 0.000 1.001 281 F HN 0.015 nan 8.300 nan 0.000 0.479 282 A N 0.031 122.475 122.820 -0.626 0.000 1.877 282 A HA -0.107 4.214 4.320 0.002 0.000 0.216 282 A C 2.390 179.740 177.584 -0.390 0.000 1.186 282 A CA 1.775 53.200 52.037 -1.020 0.000 0.620 282 A CB -1.374 17.046 19.000 -0.967 0.000 0.822 282 A HN 0.310 nan 8.150 nan 0.000 0.443 283 A N -0.174 122.479 122.820 -0.279 0.000 1.908 283 A HA 0.119 4.440 4.320 0.002 0.000 0.218 283 A C 2.505 179.996 177.584 -0.155 0.000 1.181 283 A CA 2.279 54.215 52.037 -0.167 0.000 0.627 283 A CB -1.032 17.876 19.000 -0.154 0.000 0.818 283 A HN 1.066 nan 8.150 nan 0.000 0.445 284 A N -0.488 122.212 122.820 -0.201 0.000 1.858 284 A HA -0.070 4.251 4.320 0.002 0.000 0.216 284 A C 2.462 180.017 177.584 -0.048 0.000 1.190 284 A CA 2.113 54.049 52.037 -0.168 0.000 0.617 284 A CB -0.968 17.890 19.000 -0.236 0.000 0.827 284 A HN 0.475 nan 8.150 nan 0.000 0.443 285 S N -0.020 115.691 115.700 0.018 0.000 2.368 285 S HA -0.131 4.340 4.470 0.002 0.000 0.225 285 S C 1.821 176.478 174.600 0.095 0.000 1.030 285 S CA 1.536 59.815 58.200 0.133 0.000 0.999 285 S CB -0.542 62.839 63.200 0.301 0.000 0.844 285 S HN 0.519 nan 8.310 nan 0.000 0.459 286 I N 1.414 122.016 120.570 0.053 0.000 2.179 286 I HA -0.184 3.987 4.170 0.002 0.000 0.242 286 I C 2.011 178.150 176.117 0.036 0.000 1.088 286 I CA 1.175 62.507 61.300 0.053 0.000 1.357 286 I CB -0.375 37.647 38.000 0.037 0.000 1.051 286 I HN 0.227 nan 8.210 nan 0.000 0.409 287 L N 0.073 121.301 121.223 0.008 0.000 2.275 287 L HA -0.155 4.187 4.340 0.002 0.000 0.215 287 L C 2.155 179.036 176.870 0.018 0.000 1.119 287 L CA 0.886 55.730 54.840 0.008 0.000 0.790 287 L CB -0.403 41.636 42.059 -0.033 0.000 0.919 287 L HN 0.255 nan 8.230 nan 0.000 0.443 288 E N 0.004 120.220 120.200 0.027 0.000 2.474 288 E HA 0.058 4.409 4.350 0.002 0.000 0.194 288 E C 1.320 177.946 176.600 0.043 0.000 1.041 288 E CA 0.660 57.085 56.400 0.041 0.000 0.874 288 E CB 0.404 30.144 29.700 0.067 0.000 0.914 288 E HN 0.414 nan 8.360 nan 0.000 0.498 289 G N 1.190 110.013 108.800 0.039 0.000 2.198 289 G HA2 -0.249 3.712 3.960 0.002 0.000 0.257 289 G HA3 -0.249 3.712 3.960 0.002 0.000 0.257 289 G C 0.094 175.010 174.900 0.028 0.000 1.042 289 G CA 0.436 45.547 45.100 0.018 0.000 0.791 289 G HN 0.131 nan 8.290 nan 0.000 0.502 290 V N 0.772 120.732 119.914 0.078 0.000 2.459 290 V HA 0.475 4.596 4.120 0.002 0.000 0.295 290 V C -1.725 174.465 176.094 0.160 0.000 1.029 290 V CA -1.878 60.490 62.300 0.113 0.000 0.874 290 V CB 2.084 34.001 31.823 0.157 0.000 0.985 290 V HN 0.109 nan 8.190 nan 0.000 0.438 291 P HA 0.046 nan 4.420 nan 0.000 0.265 291 P C -1.411 176.045 177.300 0.259 0.000 1.193 291 P CA 0.359 63.593 63.100 0.224 0.000 0.765 291 P CB 0.067 31.904 31.700 0.227 0.000 0.823 292 Y N 4.343 124.749 120.300 0.177 0.000 2.331 292 Y HA 0.557 5.108 4.550 0.002 0.000 0.334 292 Y C -0.889 175.157 175.900 0.242 0.000 0.960 292 Y CA -0.764 57.461 58.100 0.208 0.000 1.130 292 Y CB 0.863 39.468 38.460 0.242 0.000 1.164 292 Y HN 0.201 nan 8.280 nan 0.000 0.458 293 I N 6.355 126.745 120.570 -0.301 0.000 2.362 293 I HA 0.257 4.429 4.170 0.002 0.000 0.289 293 I C -0.460 175.540 176.117 -0.195 0.000 0.994 293 I CA -0.645 60.591 61.300 -0.108 0.000 1.158 293 I CB 1.588 39.544 38.000 -0.074 0.000 1.315 293 I HN 0.657 nan 8.210 nan 0.000 0.451 294 N N 4.655 123.424 118.700 0.116 0.000 2.437 294 N HA 0.208 4.949 4.740 0.002 0.000 0.243 294 N C 0.846 176.432 175.510 0.127 0.000 1.041 294 N CA -0.203 52.910 53.050 0.106 0.000 0.940 294 N CB 1.169 39.743 38.487 0.145 0.000 1.133 294 N HN 0.903 nan 8.380 nan 0.000 0.506 295 G N 1.716 110.613 108.800 0.162 0.000 2.985 295 G HA2 0.035 3.996 3.960 0.002 0.000 0.209 295 G HA3 0.035 3.996 3.960 0.002 0.000 0.209 295 G C -0.006 175.000 174.900 0.176 0.000 1.165 295 G CA 0.014 45.204 45.100 0.150 0.000 0.776 295 G HN 0.455 nan 8.290 nan 0.000 0.541 296 S N 0.024 115.841 115.700 0.195 0.000 2.648 296 S HA 0.482 4.953 4.470 0.002 0.000 0.305 296 S C -1.739 172.890 174.600 0.048 0.000 1.094 296 S CA -1.040 57.253 58.200 0.156 0.000 0.983 296 S CB 2.732 66.090 63.200 0.263 0.000 1.101 296 S HN -0.020 nan 8.310 nan 0.000 0.514 297 P HA -0.035 nan 4.420 nan 0.000 0.236 297 P C 0.105 177.360 177.300 -0.076 0.000 1.177 297 P CA 0.373 63.489 63.100 0.027 0.000 0.773 297 P CB 0.032 31.779 31.700 0.078 0.000 0.878 298 Q N 2.048 121.753 119.800 -0.158 0.000 2.432 298 Q HA -0.004 4.337 4.340 0.002 0.000 0.264 298 Q C 0.168 175.821 176.000 -0.577 0.000 1.035 298 Q CA 0.234 55.801 55.803 -0.394 0.000 0.908 298 Q CB -0.211 28.367 28.738 -0.267 0.000 1.280 298 Q HN 0.117 nan 8.270 nan 0.000 0.455 299 N N 1.934 120.103 118.700 -0.885 0.000 3.178 299 N HA -0.004 4.738 4.740 0.002 0.000 0.300 299 N C -0.106 175.163 175.510 -0.401 0.000 1.242 299 N CA -0.093 52.608 53.050 -0.582 0.000 1.192 299 N CB 0.218 38.348 38.487 -0.595 0.000 1.463 299 N HN 0.494 nan 8.380 nan 0.000 0.539 300 T N 0.103 114.355 114.554 -0.504 0.000 2.833 300 T HA -0.044 4.308 4.350 0.002 0.000 0.269 300 T C 0.231 174.591 174.700 -0.566 0.000 1.054 300 T CA 1.025 62.743 62.100 -0.638 0.000 1.135 300 T CB -0.297 68.003 68.868 -0.947 0.000 0.869 300 T HN 0.446 nan 8.240 nan 0.000 0.466 301 F N 3.251 123.132 119.950 -0.115 0.000 2.573 301 F HA 0.330 4.858 4.527 0.002 0.000 0.349 301 F C 0.730 176.502 175.800 -0.046 0.000 1.213 301 F CA -1.229 56.732 58.000 -0.065 0.000 1.300 301 F CB -0.494 38.494 39.000 -0.019 0.000 1.661 301 F HN -0.082 nan 8.300 nan 0.000 0.616 302 V N -0.172 119.778 119.914 0.059 0.000 3.185 302 V HA 0.180 4.301 4.120 0.002 0.000 0.305 302 V C -1.628 174.512 176.094 0.078 0.000 1.090 302 V CA -1.570 60.759 62.300 0.047 0.000 1.107 302 V CB 0.596 32.422 31.823 0.005 0.000 1.061 302 V HN 0.200 nan 8.190 nan 0.000 0.480 303 P HA -0.150 nan 4.420 nan 0.000 0.217 303 P C 1.655 178.993 177.300 0.062 0.000 1.158 303 P CA 2.369 65.511 63.100 0.070 0.000 0.887 303 P CB -0.169 31.564 31.700 0.056 0.000 0.792 304 G N -0.964 107.860 108.800 0.040 0.000 2.432 304 G HA2 -0.222 3.739 3.960 0.002 0.000 0.219 304 G HA3 -0.222 3.739 3.960 0.002 0.000 0.219 304 G C 1.527 176.451 174.900 0.039 0.000 1.135 304 G CA 0.407 45.524 45.100 0.028 0.000 0.767 304 G HN 0.240 nan 8.290 nan 0.000 0.550 305 L N 0.008 121.264 121.223 0.054 0.000 2.068 305 L HA -0.025 4.317 4.340 0.002 0.000 0.204 305 L C 3.013 179.944 176.870 0.102 0.000 1.076 305 L CA 0.449 55.334 54.840 0.075 0.000 0.753 305 L CB -0.271 41.848 42.059 0.099 0.000 0.910 305 L HN 0.097 nan 8.230 nan 0.000 0.439 306 V N -0.227 119.758 119.914 0.118 0.000 2.332 306 V HA -0.380 3.741 4.120 0.002 0.000 0.248 306 V C 2.415 178.552 176.094 0.072 0.000 1.055 306 V CA 2.014 64.362 62.300 0.079 0.000 1.038 306 V CB -0.545 31.333 31.823 0.092 0.000 0.651 306 V HN 0.547 nan 8.190 nan 0.000 0.450 307 Q N -0.816 119.033 119.800 0.082 0.000 2.084 307 Q HA -0.243 4.098 4.340 0.002 0.000 0.202 307 Q C 2.226 178.281 176.000 0.091 0.000 0.978 307 Q CA 1.901 57.756 55.803 0.088 0.000 0.844 307 Q CB -0.162 28.619 28.738 0.071 0.000 0.898 307 Q HN 0.569 nan 8.270 nan 0.000 0.426 308 L N 0.255 121.517 121.223 0.065 0.000 2.093 308 L HA -0.052 4.289 4.340 0.002 0.000 0.208 308 L C 2.087 179.011 176.870 0.090 0.000 1.085 308 L CA 2.033 56.907 54.840 0.058 0.000 0.755 308 L CB -0.691 41.385 42.059 0.027 0.000 0.904 308 L HN 0.210 nan 8.230 nan 0.000 0.435 309 A N -0.800 122.059 122.820 0.065 0.000 1.898 309 A HA -0.196 4.125 4.320 0.002 0.000 0.216 309 A C 2.170 179.770 177.584 0.027 0.000 1.181 309 A CA 1.653 53.715 52.037 0.041 0.000 0.620 309 A CB -0.579 18.422 19.000 0.002 0.000 0.819 309 A HN 0.571 nan 8.150 nan 0.000 0.442 310 E N -1.287 118.930 120.200 0.027 0.000 2.077 310 E HA -0.225 4.127 4.350 0.002 0.000 0.193 310 E C 2.080 178.722 176.600 0.071 0.000 0.989 310 E CA 1.155 57.571 56.400 0.026 0.000 0.800 310 E CB -0.310 29.440 29.700 0.084 0.000 0.746 310 E HN 0.785 nan 8.360 nan 0.000 0.452 311 H N 0.944 120.026 119.070 0.021 0.000 2.357 311 H HA -0.063 4.494 4.556 0.002 0.000 0.301 311 H C 1.574 176.910 175.328 0.013 0.000 1.082 311 H CA 1.215 57.277 56.048 0.024 0.000 1.342 311 H CB 0.435 30.214 29.762 0.028 0.000 1.389 311 H HN 0.104 nan 8.280 nan 0.000 0.511 312 E N 0.011 120.325 120.200 0.190 0.000 2.299 312 E HA 0.038 4.390 4.350 0.002 0.000 0.193 312 E C 1.123 177.729 176.600 0.009 0.000 0.998 312 E CA 0.732 57.201 56.400 0.115 0.000 0.851 312 E CB -0.018 29.753 29.700 0.119 0.000 0.795 312 E HN 0.661 nan 8.360 nan 0.000 0.492 313 G N 2.117 110.915 108.800 -0.003 0.000 2.289 313 G HA2 -0.230 3.731 3.960 0.002 0.000 0.280 313 G HA3 -0.230 3.731 3.960 0.002 0.000 0.280 313 G C -0.025 174.833 174.900 -0.069 0.000 1.089 313 G CA 0.709 45.789 45.100 -0.034 0.000 0.939 313 G HN 0.155 nan 8.290 nan 0.000 0.499 314 T N 0.285 114.822 114.554 -0.027 0.000 2.829 314 T HA 0.549 4.901 4.350 0.002 0.000 0.280 314 T C 0.417 175.180 174.700 0.105 0.000 0.999 314 T CA -0.462 61.619 62.100 -0.033 0.000 0.983 314 T CB 1.004 69.884 68.868 0.020 0.000 0.968 314 T HN 0.245 nan 8.240 nan 0.000 0.446 315 F N 3.738 123.697 119.950 0.015 0.000 2.538 315 F HA 0.338 4.866 4.527 0.002 0.000 0.371 315 F C 0.885 176.686 175.800 0.002 0.000 1.087 315 F CA -0.682 57.315 58.000 -0.006 0.000 1.250 315 F CB 0.325 39.343 39.000 0.031 0.000 1.110 315 F HN 0.424 nan 8.300 nan 0.000 0.570 316 I N 1.034 121.663 120.570 0.098 0.000 3.042 316 I HA 1.019 5.190 4.170 0.002 0.000 0.310 316 I C -0.856 175.148 176.117 -0.188 0.000 1.117 316 I CA -0.935 60.342 61.300 -0.038 0.000 1.003 316 I CB 2.338 40.152 38.000 -0.310 0.000 1.228 316 I HN 0.598 nan 8.210 nan 0.000 0.443 317 A N 1.599 124.292 122.820 -0.213 0.000 2.489 317 A HA 0.865 5.186 4.320 0.002 0.000 0.293 317 A C -0.304 177.329 177.584 0.080 0.000 1.004 317 A CA 0.017 51.977 52.037 -0.129 0.000 0.626 317 A CB 0.373 19.345 19.000 -0.047 0.000 1.345 317 A HN 2.436 nan 8.150 nan 0.000 0.447 318 G N -0.446 108.418 108.800 0.107 0.000 2.255 318 G HA2 0.511 4.472 3.960 0.002 0.000 0.216 318 G HA3 0.511 4.472 3.960 0.002 0.000 0.216 318 G C -0.922 174.093 174.900 0.193 0.000 1.307 318 G CA 0.999 46.215 45.100 0.193 0.000 1.162 318 G HN 2.289 nan 8.290 nan 0.000 0.494 319 D N 0.084 120.599 120.400 0.191 0.000 3.625 319 D HA 0.368 5.009 4.640 0.002 0.000 0.217 319 D C -0.479 175.880 176.300 0.098 0.000 1.064 319 D CA 1.952 56.027 54.000 0.125 0.000 0.989 319 D CB -0.862 40.013 40.800 0.124 0.000 0.789 319 D HN 1.280 nan 8.370 nan 0.000 0.376 320 D N -0.235 120.222 120.400 0.095 0.000 10.441 320 D HA -0.169 4.473 4.640 0.002 0.000 0.313 320 D C -0.479 175.881 176.300 0.101 0.000 2.994 320 D CA 0.343 54.399 54.000 0.094 0.000 2.691 320 D CB 0.234 41.079 40.800 0.075 0.000 1.149 320 D HN 0.384 nan 8.370 nan 0.000 0.886 321 L N 2.631 123.916 121.223 0.102 0.000 2.410 321 L HA 0.164 4.505 4.340 0.002 0.000 0.273 321 L C 1.244 178.166 176.870 0.087 0.000 1.152 321 L CA 0.016 54.922 54.840 0.111 0.000 0.855 321 L CB 0.574 42.696 42.059 0.104 0.000 1.129 321 L HN 0.280 nan 8.230 nan 0.000 0.463 322 K N 2.036 122.483 120.400 0.080 0.000 2.244 322 K HA 0.165 4.486 4.320 0.002 0.000 0.263 322 K C 0.616 177.226 176.600 0.017 0.000 1.103 322 K CA -0.169 56.130 56.287 0.020 0.000 0.966 322 K CB 0.615 33.088 32.500 -0.045 0.000 1.429 322 K HN 0.756 nan 8.250 nan 0.000 0.434 323 S N 1.464 117.186 115.700 0.035 0.000 2.641 323 S HA 0.214 4.685 4.470 0.002 0.000 0.239 323 S C 1.160 175.775 174.600 0.026 0.000 1.081 323 S CA 0.175 58.402 58.200 0.044 0.000 0.904 323 S CB 0.612 63.852 63.200 0.068 0.000 0.803 323 S HN 0.526 nan 8.310 nan 0.000 0.510 324 G N 0.823 109.637 108.800 0.023 0.000 2.542 324 G HA2 0.218 4.179 3.960 0.002 0.000 0.208 324 G HA3 0.218 4.179 3.960 0.002 0.000 0.208 324 G C 0.887 175.798 174.900 0.018 0.000 1.976 324 G CA 0.443 45.553 45.100 0.018 0.000 0.722 324 G HN 0.336 nan 8.290 nan 0.000 0.798 325 Q N -0.257 119.559 119.800 0.026 0.000 2.133 325 Q HA -0.167 4.174 4.340 0.002 0.000 0.208 325 Q C 2.416 178.451 176.000 0.059 0.000 0.991 325 Q CA 2.434 58.263 55.803 0.045 0.000 0.867 325 Q CB -0.335 28.427 28.738 0.041 0.000 0.911 325 Q HN 0.469 nan 8.270 nan 0.000 0.417 326 T N 0.311 114.891 114.554 0.043 0.000 2.942 326 T HA -0.073 4.278 4.350 0.002 0.000 0.265 326 T C 1.587 176.294 174.700 0.012 0.000 1.062 326 T CA 1.148 63.274 62.100 0.042 0.000 1.139 326 T CB -0.054 68.833 68.868 0.032 0.000 0.883 326 T HN 0.277 nan 8.240 nan 0.000 0.468 327 K N 0.964 121.353 120.400 -0.017 0.000 2.001 327 K HA 0.046 4.368 4.320 0.002 0.000 0.208 327 K C 2.264 178.835 176.600 -0.048 0.000 1.048 327 K CA 0.951 57.195 56.287 -0.073 0.000 0.932 327 K CB -0.336 32.109 32.500 -0.091 0.000 0.715 327 K HN 0.254 nan 8.250 nan 0.000 0.437 328 L N 1.255 122.471 121.223 -0.012 0.000 2.131 328 L HA -0.184 4.157 4.340 0.002 0.000 0.210 328 L C 2.422 179.308 176.870 0.028 0.000 1.092 328 L CA 1.508 56.346 54.840 -0.004 0.000 0.759 328 L CB -0.242 41.824 42.059 0.011 0.000 0.903 328 L HN 0.172 nan 8.230 nan 0.000 0.435 329 K N -0.242 120.213 120.400 0.092 0.000 2.148 329 K HA -0.149 4.172 4.320 0.002 0.000 0.204 329 K C 1.931 178.591 176.600 0.101 0.000 1.050 329 K CA 1.459 57.853 56.287 0.179 0.000 0.942 329 K CB -0.068 32.557 32.500 0.208 0.000 0.724 329 K HN 0.525 nan 8.250 nan 0.000 0.446 330 S N -0.608 115.116 115.700 0.041 0.000 2.607 330 S HA 0.004 4.475 4.470 0.002 0.000 0.224 330 S C 1.475 176.079 174.600 0.007 0.000 0.969 330 S CA 0.360 58.569 58.200 0.015 0.000 0.927 330 S CB 0.480 63.663 63.200 -0.029 0.000 0.772 330 S HN 0.110 nan 8.310 nan 0.000 0.533 331 V N 0.222 120.138 119.914 0.003 0.000 2.911 331 V HA 0.210 4.331 4.120 0.002 0.000 0.237 331 V C 2.031 178.140 176.094 0.026 0.000 1.156 331 V CA 0.577 62.877 62.300 -0.000 0.000 1.180 331 V CB -0.098 31.700 31.823 -0.040 0.000 0.932 331 V HN 0.445 nan 8.190 nan 0.000 0.483 332 L N 1.393 122.602 121.223 -0.023 0.000 2.044 332 L HA 0.080 4.421 4.340 0.002 0.000 0.205 332 L C 2.399 179.291 176.870 0.036 0.000 1.075 332 L CA 2.519 57.321 54.840 -0.063 0.000 0.747 332 L CB -0.896 40.956 42.059 -0.346 0.000 0.903 332 L HN 0.228 nan 8.230 nan 0.000 0.435 333 A N -1.146 121.709 122.820 0.057 0.000 1.930 333 A HA -0.238 4.083 4.320 0.002 0.000 0.217 333 A C 2.241 179.877 177.584 0.087 0.000 1.175 333 A CA 1.599 53.704 52.037 0.114 0.000 0.627 333 A CB -0.595 18.494 19.000 0.147 0.000 0.815 333 A HN 0.573 nan 8.150 nan 0.000 0.443 334 Q N -0.817 119.035 119.800 0.087 0.000 2.020 334 Q HA -0.164 4.178 4.340 0.002 0.000 0.202 334 Q C 1.735 177.786 176.000 0.085 0.000 0.982 334 Q CA 2.162 58.010 55.803 0.075 0.000 0.838 334 Q CB -0.621 28.161 28.738 0.072 0.000 0.899 334 Q HN 0.617 nan 8.270 nan 0.000 0.423 335 F N 0.356 120.293 119.950 -0.021 0.000 2.063 335 F HA -0.260 4.269 4.527 0.002 0.000 0.298 335 F C 1.570 177.358 175.800 -0.019 0.000 1.109 335 F CA 1.851 59.835 58.000 -0.027 0.000 1.212 335 F CB -0.533 38.437 39.000 -0.050 0.000 0.973 335 F HN 0.160 nan 8.300 nan 0.000 0.480 336 L N -0.376 120.684 121.223 -0.272 0.000 2.012 336 L HA -0.240 4.101 4.340 0.002 0.000 0.210 336 L C 2.412 179.144 176.870 -0.230 0.000 1.073 336 L CA 1.328 55.960 54.840 -0.348 0.000 0.748 336 L CB -1.008 41.007 42.059 -0.073 0.000 0.891 336 L HN 0.085 nan 8.230 nan 0.000 0.431 337 V N -0.532 119.331 119.914 -0.085 0.000 2.548 337 V HA -0.229 3.893 4.120 0.002 0.000 0.249 337 V C 1.931 177.984 176.094 -0.067 0.000 1.055 337 V CA 1.570 63.856 62.300 -0.023 0.000 1.065 337 V CB -0.504 31.367 31.823 0.079 0.000 0.681 337 V HN 0.401 nan 8.190 nan 0.000 0.462 338 D N 0.731 121.074 120.400 -0.095 0.000 2.219 338 D HA -0.051 4.590 4.640 0.002 0.000 0.205 338 D C 1.951 178.170 176.300 -0.135 0.000 0.970 338 D CA 1.406 55.356 54.000 -0.084 0.000 0.851 338 D CB -0.077 40.693 40.800 -0.049 0.000 0.943 338 D HN 0.473 nan 8.370 nan 0.000 0.488 339 A N -0.549 122.124 122.820 -0.246 0.000 2.251 339 A HA 0.450 4.771 4.320 0.002 0.000 0.209 339 A C 1.725 179.202 177.584 -0.179 0.000 1.187 339 A CA 0.867 52.750 52.037 -0.257 0.000 0.823 339 A CB -0.112 18.606 19.000 -0.470 0.000 0.846 339 A HN 0.205 nan 8.150 nan 0.000 0.486 340 G N -0.786 107.927 108.800 -0.145 0.000 2.143 340 G HA2 -0.226 3.735 3.960 0.002 0.000 0.249 340 G HA3 -0.226 3.735 3.960 0.002 0.000 0.249 340 G C 0.098 174.917 174.900 -0.136 0.000 0.981 340 G CA 0.363 45.392 45.100 -0.119 0.000 0.665 340 G HN 0.469 nan 8.290 nan 0.000 0.528 341 I N 0.180 120.659 120.570 -0.153 0.000 2.440 341 I HA 0.369 4.540 4.170 0.002 0.000 0.294 341 I C 0.651 176.700 176.117 -0.112 0.000 0.995 341 I CA -0.562 60.654 61.300 -0.141 0.000 1.306 341 I CB 1.632 39.542 38.000 -0.149 0.000 1.407 341 I HN 0.006 nan 8.210 nan 0.000 0.501 342 K N 7.549 127.872 120.400 -0.128 0.000 2.354 342 K HA 0.405 4.726 4.320 0.002 0.000 0.257 342 K C -2.567 174.037 176.600 0.008 0.000 1.062 342 K CA -1.716 54.495 56.287 -0.127 0.000 0.971 342 K CB 0.926 33.249 32.500 -0.294 0.000 1.305 342 K HN 0.161 nan 8.250 nan 0.000 0.449 343 P HA -0.070 nan 4.420 nan 0.000 0.267 343 P C 0.260 177.683 177.300 0.206 0.000 1.205 343 P CA -0.225 62.974 63.100 0.166 0.000 0.765 343 P CB 1.115 32.931 31.700 0.194 0.000 0.828 344 V N 0.215 120.217 119.914 0.146 0.000 3.562 344 V HA 0.312 4.433 4.120 0.002 0.000 0.270 344 V C 0.396 176.583 176.094 0.156 0.000 1.418 344 V CA 0.326 62.724 62.300 0.165 0.000 1.033 344 V CB 0.365 32.268 31.823 0.134 0.000 0.820 344 V HN 0.479 nan 8.190 nan 0.000 0.441 345 S N 0.240 116.039 115.700 0.165 0.000 2.668 345 S HA 0.770 5.241 4.470 0.002 0.000 0.277 345 S C -1.221 173.404 174.600 0.043 0.000 1.170 345 S CA -0.459 57.821 58.200 0.133 0.000 0.994 345 S CB 1.405 64.735 63.200 0.217 0.000 1.051 345 S HN 0.354 nan 8.310 nan 0.000 0.484 346 I N 4.030 124.550 120.570 -0.084 0.000 2.493 346 I HA 0.486 4.657 4.170 0.002 0.000 0.279 346 I C -0.030 175.978 176.117 -0.182 0.000 1.045 346 I CA -0.673 60.452 61.300 -0.291 0.000 1.106 346 I CB 1.553 39.198 38.000 -0.592 0.000 1.216 346 I HN 0.725 nan 8.210 nan 0.000 0.459 347 A N 4.327 127.028 122.820 -0.198 0.000 2.260 347 A HA 0.749 5.070 4.320 0.002 0.000 0.308 347 A C -0.227 177.109 177.584 -0.412 0.000 1.254 347 A CA -0.308 51.565 52.037 -0.274 0.000 0.874 347 A CB 0.697 19.586 19.000 -0.184 0.000 1.153 347 A HN 0.565 nan 8.150 nan 0.000 0.527 348 S N 1.898 117.315 115.700 -0.473 0.000 2.669 348 S HA 0.552 5.024 4.470 0.002 0.000 0.315 348 S C -1.261 173.097 174.600 -0.404 0.000 1.106 348 S CA -0.180 57.823 58.200 -0.329 0.000 1.107 348 S CB 0.134 63.274 63.200 -0.100 0.000 0.990 348 S HN 0.535 nan 8.310 nan 0.000 0.471 349 Y N 2.002 122.333 120.300 0.052 0.000 2.420 349 Y HA 0.572 5.123 4.550 0.002 0.000 0.334 349 Y C 0.806 176.733 175.900 0.046 0.000 1.094 349 Y CA -0.954 57.184 58.100 0.064 0.000 1.126 349 Y CB 1.170 39.675 38.460 0.074 0.000 1.217 349 Y HN 0.497 nan 8.280 nan 0.000 0.462 350 N N 1.642 120.472 118.700 0.217 0.000 2.367 350 N HA 0.233 4.974 4.740 0.002 0.000 0.278 350 N C -1.932 173.660 175.510 0.137 0.000 1.117 350 N CA -0.791 52.313 53.050 0.090 0.000 0.867 350 N CB 2.562 41.099 38.487 0.084 0.000 1.649 350 N HN 0.832 nan 8.380 nan 0.000 0.479 351 H N 0.242 119.351 119.070 0.064 0.000 2.954 351 H HA 0.604 5.161 4.556 0.002 0.000 0.361 351 H C -1.233 174.107 175.328 0.021 0.000 1.122 351 H CA -0.816 55.257 56.048 0.041 0.000 1.217 351 H CB 1.967 31.737 29.762 0.014 0.000 1.776 351 H HN 0.529 nan 8.280 nan 0.000 0.533 352 L N -0.471 120.838 121.223 0.143 0.000 2.479 352 L HA 0.818 5.159 4.340 0.002 0.000 0.255 352 L C -0.384 176.491 176.870 0.008 0.000 1.026 352 L CA -0.983 53.903 54.840 0.078 0.000 0.842 352 L CB 2.418 44.529 42.059 0.087 0.000 1.444 352 L HN 0.769 nan 8.230 nan 0.000 0.409 353 G N 0.380 109.156 108.800 -0.040 0.000 3.993 353 G HA2 0.196 4.157 3.960 0.002 0.000 0.294 353 G HA3 0.196 4.157 3.960 0.002 0.000 0.294 353 G C -0.205 174.744 174.900 0.081 0.000 1.043 353 G CA -0.196 44.789 45.100 -0.191 0.000 0.839 353 G HN 0.753 nan 8.290 nan 0.000 0.516 354 N N -0.746 118.065 118.700 0.185 0.000 2.566 354 N HA 0.167 4.908 4.740 0.002 0.000 0.299 354 N C 0.897 176.559 175.510 0.253 0.000 1.277 354 N CA -1.005 52.146 53.050 0.168 0.000 0.965 354 N CB 0.342 38.890 38.487 0.100 0.000 1.142 354 N HN -0.120 nan 8.380 nan 0.000 0.596 355 N N -1.045 117.748 118.700 0.155 0.000 2.309 355 N HA -0.164 4.578 4.740 0.002 0.000 0.182 355 N C 0.811 176.424 175.510 0.171 0.000 1.018 355 N CA 0.860 54.008 53.050 0.164 0.000 0.876 355 N CB -0.236 38.305 38.487 0.089 0.000 0.972 355 N HN 0.614 nan 8.380 nan 0.000 0.434 356 D N -0.716 119.770 120.400 0.144 0.000 2.097 356 D HA -0.070 4.571 4.640 0.002 0.000 0.195 356 D C 1.861 178.266 176.300 0.175 0.000 0.989 356 D CA 1.544 55.624 54.000 0.133 0.000 0.827 356 D CB -0.749 40.118 40.800 0.112 0.000 0.966 356 D HN 0.361 nan 8.370 nan 0.000 0.456 357 G N -1.466 107.482 108.800 0.247 0.000 2.448 357 G HA2 -0.263 3.698 3.960 0.002 0.000 0.218 357 G HA3 -0.263 3.698 3.960 0.002 0.000 0.218 357 G C 1.554 176.629 174.900 0.291 0.000 1.135 357 G CA 0.569 45.867 45.100 0.329 0.000 0.784 357 G HN 0.304 nan 8.290 nan 0.000 0.543 358 Y N 1.822 122.101 120.300 -0.036 0.000 2.200 358 Y HA -0.095 4.456 4.550 0.002 0.000 0.290 358 Y C 2.509 178.273 175.900 -0.225 0.000 1.137 358 Y CA 1.475 59.270 58.100 -0.508 0.000 1.163 358 Y CB -0.291 37.910 38.460 -0.432 0.000 0.988 358 Y HN 0.301 nan 8.280 nan 0.000 0.518 359 N N 0.357 119.014 118.700 -0.072 0.000 2.171 359 N HA -0.136 4.605 4.740 0.002 0.000 0.184 359 N C 1.611 177.106 175.510 -0.025 0.000 1.021 359 N CA 1.221 54.215 53.050 -0.092 0.000 0.854 359 N CB -0.294 38.204 38.487 0.019 0.000 0.994 359 N HN 0.463 nan 8.380 nan 0.000 0.426 360 L N 1.432 122.692 121.223 0.062 0.000 2.622 360 L HA -0.016 4.325 4.340 0.002 0.000 0.233 360 L C 2.221 179.162 176.870 0.117 0.000 1.156 360 L CA 0.521 55.447 54.840 0.142 0.000 0.866 360 L CB -0.271 41.913 42.059 0.209 0.000 0.980 360 L HN 0.245 nan 8.230 nan 0.000 0.448 361 S N -0.469 115.233 115.700 0.005 0.000 2.481 361 S HA 0.067 4.539 4.470 0.002 0.000 0.231 361 S C 1.042 175.612 174.600 -0.049 0.000 0.996 361 S CA 0.193 58.373 58.200 -0.034 0.000 0.942 361 S CB -0.192 62.937 63.200 -0.119 0.000 0.768 361 S HN 0.250 nan 8.310 nan 0.000 0.520 362 A N 3.012 125.812 122.820 -0.033 0.000 2.301 362 A HA 0.619 4.940 4.320 0.002 0.000 0.298 362 A C -0.749 176.883 177.584 0.080 0.000 1.185 362 A CA -2.032 49.999 52.037 -0.010 0.000 0.830 362 A CB 0.739 19.717 19.000 -0.037 0.000 1.112 362 A HN 0.235 nan 8.150 nan 0.000 0.508 363 P HA -0.254 nan 4.420 nan 0.000 0.216 363 P C 1.013 178.403 177.300 0.151 0.000 1.154 363 P CA 1.571 64.764 63.100 0.156 0.000 0.865 363 P CB 0.178 31.929 31.700 0.086 0.000 0.789 364 K N -0.857 119.594 120.400 0.085 0.000 2.147 364 K HA -0.146 4.175 4.320 0.002 0.000 0.205 364 K C 2.364 179.020 176.600 0.093 0.000 1.049 364 K CA 1.383 57.710 56.287 0.066 0.000 0.936 364 K CB -0.131 32.394 32.500 0.043 0.000 0.722 364 K HN 0.119 nan 8.250 nan 0.000 0.446 365 Q N -0.377 119.493 119.800 0.117 0.000 2.123 365 Q HA -0.041 4.300 4.340 0.002 0.000 0.196 365 Q C 1.681 177.764 176.000 0.137 0.000 0.958 365 Q CA 0.925 56.807 55.803 0.133 0.000 0.841 365 Q CB -0.304 28.509 28.738 0.126 0.000 0.915 365 Q HN 0.256 nan 8.270 nan 0.000 0.455 366 F N 1.258 121.233 119.950 0.041 0.000 2.171 366 F HA -0.154 4.374 4.527 0.002 0.000 0.300 366 F C 2.107 177.921 175.800 0.022 0.000 1.090 366 F CA 1.241 59.263 58.000 0.036 0.000 1.293 366 F CB 0.039 39.054 39.000 0.025 0.000 1.013 366 F HN -0.057 nan 8.300 nan 0.000 0.486 367 R N 0.700 121.061 120.500 -0.231 0.000 2.120 367 R HA -0.099 4.242 4.340 0.002 0.000 0.234 367 R C 2.188 178.298 176.300 -0.316 0.000 1.123 367 R CA 1.864 57.754 56.100 -0.350 0.000 0.975 367 R CB -1.108 29.094 30.300 -0.164 0.000 0.866 367 R HN 0.311 nan 8.270 nan 0.000 0.446 368 S N 0.344 115.979 115.700 -0.108 0.000 2.348 368 S HA -0.145 4.327 4.470 0.002 0.000 0.221 368 S C 1.737 176.351 174.600 0.024 0.000 1.033 368 S CA 1.685 59.969 58.200 0.141 0.000 1.010 368 S CB -0.319 63.048 63.200 0.278 0.000 0.891 368 S HN 0.373 nan 8.310 nan 0.000 0.442 369 K N 1.494 121.846 120.400 -0.080 0.000 2.026 369 K HA -0.099 4.222 4.320 0.002 0.000 0.208 369 K C 2.171 178.637 176.600 -0.224 0.000 1.048 369 K CA 1.540 57.769 56.287 -0.097 0.000 0.929 369 K CB -0.236 32.236 32.500 -0.047 0.000 0.713 369 K HN 0.365 nan 8.250 nan 0.000 0.439 370 E N 0.333 120.216 120.200 -0.528 0.000 2.130 370 E HA -0.226 4.125 4.350 0.002 0.000 0.196 370 E C 1.898 178.314 176.600 -0.306 0.000 0.998 370 E CA 1.617 57.681 56.400 -0.560 0.000 0.806 370 E CB -0.098 29.033 29.700 -0.948 0.000 0.738 370 E HN 0.421 nan 8.360 nan 0.000 0.459 371 I N 0.848 121.272 120.570 -0.243 0.000 2.202 371 I HA -0.254 3.918 4.170 0.002 0.000 0.242 371 I C 2.740 178.816 176.117 -0.070 0.000 1.091 371 I CA 1.331 62.543 61.300 -0.147 0.000 1.368 371 I CB -0.383 37.542 38.000 -0.125 0.000 1.058 371 I HN 0.185 nan 8.210 nan 0.000 0.410 372 S N 0.806 116.492 115.700 -0.024 0.000 2.402 372 S HA -0.132 4.339 4.470 0.002 0.000 0.229 372 S C 1.822 176.416 174.600 -0.009 0.000 1.021 372 S CA 0.737 58.943 58.200 0.010 0.000 0.974 372 S CB -0.363 62.861 63.200 0.040 0.000 0.800 372 S HN 0.407 nan 8.310 nan 0.000 0.484 373 K N 0.937 121.310 120.400 -0.045 0.000 2.486 373 K HA 0.220 4.541 4.320 0.002 0.000 0.194 373 K C 1.610 178.178 176.600 -0.053 0.000 1.033 373 K CA 0.765 57.032 56.287 -0.033 0.000 1.004 373 K CB 0.026 32.501 32.500 -0.042 0.000 0.798 373 K HN 0.387 nan 8.250 nan 0.000 0.495 374 S N 0.342 115.973 115.700 -0.115 0.000 2.510 374 S HA -0.079 4.392 4.470 0.002 0.000 0.230 374 S C 1.979 176.591 174.600 0.018 0.000 1.066 374 S CA 0.646 58.738 58.200 -0.181 0.000 0.941 374 S CB 0.124 63.136 63.200 -0.313 0.000 0.829 374 S HN 0.373 nan 8.310 nan 0.000 0.530 375 S N 2.201 117.896 115.700 -0.008 0.000 2.413 375 S HA -0.155 4.317 4.470 0.002 0.000 0.237 375 S C 1.799 176.420 174.600 0.035 0.000 1.044 375 S CA 1.259 59.466 58.200 0.012 0.000 1.024 375 S CB -1.103 62.102 63.200 0.008 0.000 0.829 375 S HN 0.241 nan 8.310 nan 0.000 0.475 376 V N 2.498 122.443 119.914 0.052 0.000 2.636 376 V HA -0.135 3.986 4.120 0.002 0.000 0.258 376 V C 1.932 178.053 176.094 0.045 0.000 1.092 376 V CA 2.106 64.436 62.300 0.049 0.000 1.110 376 V CB -0.645 31.211 31.823 0.056 0.000 0.685 376 V HN 0.836 nan 8.190 nan 0.000 0.481 377 I N -4.624 115.979 120.570 0.054 0.000 4.018 377 I HA 0.189 4.361 4.170 0.002 0.000 0.337 377 I C 1.545 177.646 176.117 -0.026 0.000 1.327 377 I CA 0.331 61.636 61.300 0.009 0.000 1.100 377 I CB -0.324 37.657 38.000 -0.031 0.000 1.025 377 I HN 0.051 nan 8.210 nan 0.000 0.396 378 D N 3.140 123.533 120.400 -0.012 0.000 2.117 378 D HA -0.213 4.428 4.640 0.002 0.000 0.197 378 D C 1.626 177.902 176.300 -0.040 0.000 0.987 378 D CA 2.076 56.052 54.000 -0.039 0.000 0.829 378 D CB -0.152 40.631 40.800 -0.030 0.000 0.961 378 D HN 0.644 nan 8.370 nan 0.000 0.460 379 D N 1.036 121.430 120.400 -0.010 0.000 2.178 379 D HA -0.142 4.499 4.640 0.002 0.000 0.202 379 D C 2.294 178.597 176.300 0.006 0.000 0.974 379 D CA 0.418 54.426 54.000 0.013 0.000 0.841 379 D CB -0.738 40.084 40.800 0.036 0.000 0.953 379 D HN 0.294 nan 8.370 nan 0.000 0.478 380 I N 0.496 121.060 120.570 -0.010 0.000 2.179 380 I HA -0.230 3.941 4.170 0.002 0.000 0.242 380 I C 2.353 178.450 176.117 -0.034 0.000 1.088 380 I CA 0.623 61.920 61.300 -0.005 0.000 1.357 380 I CB -0.140 37.860 38.000 -0.000 0.000 1.051 380 I HN -0.058 nan 8.210 nan 0.000 0.409 381 I N 1.211 121.687 120.570 -0.157 0.000 2.208 381 I HA -0.263 3.908 4.170 0.002 0.000 0.245 381 I C 2.841 178.892 176.117 -0.111 0.000 1.097 381 I CA 1.737 62.811 61.300 -0.377 0.000 1.363 381 I CB -1.792 35.870 38.000 -0.563 0.000 1.051 381 I HN 0.178 nan 8.210 nan 0.000 0.413 382 A N 1.009 123.799 122.820 -0.050 0.000 2.019 382 A HA -0.172 4.149 4.320 0.002 0.000 0.219 382 A C 2.449 180.070 177.584 0.062 0.000 1.164 382 A CA 1.935 53.985 52.037 0.022 0.000 0.644 382 A CB -0.758 18.260 19.000 0.030 0.000 0.805 382 A HN 0.577 nan 8.150 nan 0.000 0.449 383 S N -0.715 115.019 115.700 0.058 0.000 2.515 383 S HA -0.020 4.452 4.470 0.002 0.000 0.231 383 S C 0.643 175.290 174.600 0.078 0.000 0.987 383 S CA 0.658 58.895 58.200 0.062 0.000 0.936 383 S CB -0.233 62.995 63.200 0.047 0.000 0.766 383 S HN 0.452 nan 8.310 nan 0.000 0.528 384 N N 1.769 120.546 118.700 0.128 0.000 2.623 384 N HA 0.176 4.917 4.740 0.002 0.000 0.256 384 N C -0.937 174.670 175.510 0.161 0.000 1.045 384 N CA -0.161 52.969 53.050 0.133 0.000 0.863 384 N CB 1.664 40.235 38.487 0.141 0.000 1.182 384 N HN 0.327 nan 8.380 nan 0.000 0.523 385 D N 2.867 123.333 120.400 0.110 0.000 2.340 385 D HA 0.036 4.677 4.640 0.002 0.000 0.220 385 D C 1.512 177.841 176.300 0.048 0.000 1.039 385 D CA 0.101 54.161 54.000 0.100 0.000 0.866 385 D CB 0.256 41.112 40.800 0.093 0.000 0.913 385 D HN 0.507 nan 8.370 nan 0.000 0.523 386 I N -0.172 120.410 120.570 0.020 0.000 2.333 386 I HA -0.124 4.047 4.170 0.002 0.000 0.246 386 I C 2.176 178.243 176.117 -0.083 0.000 1.106 386 I CA 0.677 61.965 61.300 -0.020 0.000 1.411 386 I CB 0.031 38.016 38.000 -0.025 0.000 1.082 386 I HN 0.015 nan 8.210 nan 0.000 0.420 387 L N -0.921 120.213 121.223 -0.149 0.000 2.145 387 L HA -0.005 4.336 4.340 0.002 0.000 0.201 387 L C 0.212 176.799 176.870 -0.472 0.000 1.075 387 L CA 0.556 55.170 54.840 -0.377 0.000 0.773 387 L CB -0.252 41.460 42.059 -0.577 0.000 0.936 387 L HN 0.088 nan 8.230 nan 0.000 0.451 388 Y N 1.709 122.010 120.300 0.001 0.000 2.434 388 Y HA 0.312 4.864 4.550 0.002 0.000 0.341 388 Y C -0.147 175.761 175.900 0.013 0.000 0.965 388 Y CA -1.015 57.090 58.100 0.008 0.000 1.205 388 Y CB 0.376 38.843 38.460 0.011 0.000 1.121 388 Y HN 0.239 nan 8.280 nan 0.000 0.507 389 N N -1.087 117.682 118.700 0.116 0.000 3.020 389 N HA 0.242 4.983 4.740 0.002 0.000 0.248 389 N C -0.444 175.103 175.510 0.061 0.000 1.480 389 N CA -0.831 52.266 53.050 0.078 0.000 0.874 389 N CB 0.734 39.248 38.487 0.044 0.000 1.433 389 N HN 0.091 nan 8.380 nan 0.000 0.530 390 D N -0.234 120.194 120.400 0.047 0.000 2.178 390 D HA -0.129 4.512 4.640 0.002 0.000 0.201 390 D C 1.154 177.470 176.300 0.028 0.000 0.980 390 D CA 1.310 55.333 54.000 0.037 0.000 0.842 390 D CB 0.088 40.906 40.800 0.029 0.000 0.948 390 D HN 0.621 nan 8.370 nan 0.000 0.472 391 K N 0.079 120.491 120.400 0.020 0.000 2.062 391 K HA 0.037 4.358 4.320 0.002 0.000 0.205 391 K C 1.898 178.502 176.600 0.007 0.000 1.051 391 K CA 0.579 56.873 56.287 0.011 0.000 0.941 391 K CB 0.133 32.636 32.500 0.004 0.000 0.719 391 K HN 0.096 nan 8.250 nan 0.000 0.440 392 L N -0.473 120.751 121.223 0.001 0.000 2.513 392 L HA 0.255 4.596 4.340 0.002 0.000 0.222 392 L C 0.443 177.319 176.870 0.009 0.000 1.096 392 L CA 0.094 54.927 54.840 -0.012 0.000 0.857 392 L CB 0.518 42.546 42.059 -0.051 0.000 1.026 392 L HN 0.387 nan 8.230 nan 0.000 0.469 393 G N 1.572 110.395 108.800 0.038 0.000 2.906 393 G HA2 -0.130 3.832 3.960 0.002 0.000 0.686 393 G HA3 -0.130 3.832 3.960 0.002 0.000 0.686 393 G C -0.087 174.897 174.900 0.140 0.000 1.170 393 G CA -0.284 44.861 45.100 0.075 0.000 0.775 393 G HN 0.304 nan 8.290 nan 0.000 0.630 394 K N 0.315 120.813 120.400 0.164 0.000 2.506 394 K HA 0.353 4.675 4.320 0.002 0.000 0.204 394 K C 0.497 177.201 176.600 0.174 0.000 1.045 394 K CA -0.458 55.979 56.287 0.250 0.000 1.074 394 K CB 1.211 33.803 32.500 0.154 0.000 0.842 394 K HN 0.466 nan 8.250 nan 0.000 0.514 395 K N 1.390 121.886 120.400 0.160 0.000 2.156 395 K HA 0.359 4.680 4.320 0.002 0.000 0.254 395 K C -1.294 175.371 176.600 0.109 0.000 0.950 395 K CA -0.705 55.631 56.287 0.081 0.000 0.849 395 K CB 1.952 34.493 32.500 0.068 0.000 1.100 395 K HN -0.063 nan 8.250 nan 0.000 0.434 396 V N 3.541 123.475 119.914 0.034 0.000 2.409 396 V HA 0.110 4.232 4.120 0.002 0.000 0.290 396 V C -1.208 174.920 176.094 0.056 0.000 1.017 396 V CA -0.938 61.392 62.300 0.050 0.000 0.841 396 V CB 1.419 33.216 31.823 -0.043 0.000 1.003 396 V HN 0.863 nan 8.190 nan 0.000 0.426 397 D N 3.188 123.635 120.400 0.079 0.000 2.458 397 D HA 0.224 4.866 4.640 0.002 0.000 0.243 397 D C -0.128 176.235 176.300 0.105 0.000 1.146 397 D CA 0.943 54.992 54.000 0.083 0.000 0.877 397 D CB 0.197 41.045 40.800 0.081 0.000 1.176 397 D HN 0.692 nan 8.370 nan 0.000 0.461 398 H N 1.299 120.351 119.070 -0.031 0.000 3.017 398 H HA 0.448 5.006 4.556 0.002 0.000 0.340 398 H C -1.238 174.049 175.328 -0.069 0.000 1.014 398 H CA -1.111 54.897 56.048 -0.067 0.000 1.341 398 H CB 0.628 30.350 29.762 -0.066 0.000 1.739 398 H HN 0.650 nan 8.280 nan 0.000 0.506 399 C N 5.463 124.783 119.300 0.034 0.000 2.563 399 C HA 0.706 5.167 4.460 0.002 0.000 0.314 399 C C -0.814 174.078 174.990 -0.162 0.000 1.199 399 C CA -0.877 58.088 59.018 -0.089 0.000 1.564 399 C CB 0.625 28.334 27.740 -0.051 0.000 2.173 399 C HN 0.591 nan 8.230 nan 0.000 0.485 400 I N 3.312 123.809 120.570 -0.122 0.000 2.436 400 I HA 0.584 4.756 4.170 0.002 0.000 0.289 400 I C -0.449 175.757 176.117 0.149 0.000 1.010 400 I CA -0.450 60.818 61.300 -0.052 0.000 1.098 400 I CB 1.637 39.591 38.000 -0.076 0.000 1.266 400 I HN 0.649 nan 8.210 nan 0.000 0.434 401 V N 7.419 127.406 119.914 0.121 0.000 2.588 401 V HA 0.539 4.660 4.120 0.002 0.000 0.304 401 V C -0.176 176.027 176.094 0.181 0.000 1.042 401 V CA -0.474 61.929 62.300 0.172 0.000 0.877 401 V CB 2.798 34.785 31.823 0.273 0.000 0.996 401 V HN 0.453 nan 8.190 nan 0.000 0.425 402 I N 5.519 126.126 120.570 0.062 0.000 2.468 402 I HA 0.487 4.658 4.170 0.002 0.000 0.284 402 I C -0.566 175.554 176.117 0.006 0.000 1.038 402 I CA -0.691 60.676 61.300 0.112 0.000 1.083 402 I CB 1.645 39.817 38.000 0.287 0.000 1.223 402 I HN 0.386 nan 8.210 nan 0.000 0.443 403 K N 5.045 125.507 120.400 0.104 0.000 2.207 403 K HA 0.379 4.701 4.320 0.002 0.000 0.255 403 K C -1.027 175.685 176.600 0.187 0.000 0.941 403 K CA -0.918 55.430 56.287 0.102 0.000 0.825 403 K CB 2.483 35.029 32.500 0.076 0.000 1.119 403 K HN 0.384 nan 8.250 nan 0.000 0.430 404 Y N 3.146 123.485 120.300 0.066 0.000 2.404 404 Y HA 0.232 4.784 4.550 0.003 0.000 0.344 404 Y C -0.613 175.331 175.900 0.073 0.000 0.995 404 Y CA -0.308 57.851 58.100 0.098 0.000 1.201 404 Y CB 0.666 39.203 38.460 0.128 0.000 1.151 404 Y HN 0.338 nan 8.280 nan 0.000 0.517 405 M N 7.604 126.938 119.600 -0.444 0.000 1.980 405 M HA 0.173 4.654 4.480 0.002 0.000 0.282 405 M C 0.835 176.829 176.300 -0.511 0.000 0.878 405 M CA -0.445 54.622 55.300 -0.388 0.000 0.900 405 M CB 1.582 34.060 32.600 -0.203 0.000 1.577 405 M HN 0.791 nan 8.290 nan 0.000 0.396 406 K N 2.421 122.387 120.400 -0.724 0.000 2.089 406 K HA -0.150 4.171 4.320 0.002 0.000 0.210 406 K C -0.969 175.506 176.600 -0.208 0.000 1.048 406 K CA 1.971 57.971 56.287 -0.478 0.000 0.926 406 K CB -0.316 32.025 32.500 -0.266 0.000 0.714 406 K HN 0.311 nan 8.250 nan 0.000 0.448 407 P HA -0.149 nan 4.420 nan 0.000 0.222 407 P C 0.953 178.225 177.300 -0.046 0.000 1.142 407 P CA 1.159 64.211 63.100 -0.080 0.000 0.788 407 P CB 0.007 31.665 31.700 -0.070 0.000 0.767 408 V N -5.526 114.364 119.914 -0.040 0.000 3.649 408 V HA 0.369 4.490 4.120 0.002 0.000 0.275 408 V C 1.318 177.412 176.094 -0.001 0.000 1.281 408 V CA 0.497 62.804 62.300 0.012 0.000 1.143 408 V CB -1.110 30.765 31.823 0.086 0.000 0.892 408 V HN 0.285 nan 8.190 nan 0.000 0.441 409 G N 1.477 110.262 108.800 -0.026 0.000 2.614 409 G HA2 -0.503 3.458 3.960 0.002 0.000 0.303 409 G HA3 -0.503 3.458 3.960 0.002 0.000 0.303 409 G C 0.505 175.412 174.900 0.012 0.000 1.270 409 G CA 1.008 46.102 45.100 -0.009 0.000 0.988 409 G HN 0.643 nan 8.290 nan 0.000 0.551 410 D N 0.494 120.903 120.400 0.016 0.000 2.363 410 D HA 0.203 4.845 4.640 0.002 0.000 0.220 410 D C 1.496 177.807 176.300 0.017 0.000 0.994 410 D CA 1.078 55.091 54.000 0.022 0.000 0.890 410 D CB -0.199 40.611 40.800 0.017 0.000 0.906 410 D HN 0.300 nan 8.370 nan 0.000 0.530 411 S N 1.319 117.026 115.700 0.012 0.000 3.869 411 S HA 0.036 4.507 4.470 0.002 0.000 0.241 411 S C 0.093 174.681 174.600 -0.020 0.000 1.363 411 S CA -0.523 57.679 58.200 0.003 0.000 0.894 411 S CB 0.241 63.448 63.200 0.012 0.000 1.519 411 S HN 0.139 nan 8.310 nan 0.000 0.470 412 K N 2.474 122.857 120.400 -0.029 0.000 2.485 412 K HA 0.064 4.386 4.320 0.002 0.000 0.277 412 K C -0.696 175.807 176.600 -0.163 0.000 0.990 412 K CA 0.249 56.492 56.287 -0.075 0.000 0.994 412 K CB 0.430 32.909 32.500 -0.035 0.000 0.906 412 K HN 0.223 nan 8.250 nan 0.000 0.488 413 V N 3.534 123.245 119.914 -0.338 0.000 2.357 413 V HA 0.396 4.517 4.120 0.002 0.000 0.284 413 V C -0.193 175.655 176.094 -0.409 0.000 1.018 413 V CA -0.881 61.142 62.300 -0.460 0.000 0.841 413 V CB 1.128 32.555 31.823 -0.661 0.000 0.991 413 V HN 0.831 nan 8.190 nan 0.000 0.437 414 A N 7.204 129.859 122.820 -0.276 0.000 2.271 414 A HA 0.902 5.223 4.320 0.002 0.000 0.317 414 A C -0.455 177.079 177.584 -0.083 0.000 1.245 414 A CA -0.523 51.438 52.037 -0.127 0.000 0.857 414 A CB 0.717 19.680 19.000 -0.061 0.000 1.175 414 A HN 0.806 nan 8.150 nan 0.000 0.512 415 M N 2.720 122.348 119.600 0.047 0.000 2.134 415 M HA 0.388 4.869 4.480 0.002 0.000 0.310 415 M C -1.590 174.824 176.300 0.190 0.000 0.966 415 M CA -0.427 54.965 55.300 0.153 0.000 0.922 415 M CB 1.908 34.651 32.600 0.238 0.000 1.537 415 M HN 0.638 nan 8.290 nan 0.000 0.424 416 D N 1.502 121.997 120.400 0.157 0.000 2.527 416 D HA 0.467 5.108 4.640 0.002 0.000 0.233 416 D C -1.173 175.203 176.300 0.127 0.000 1.063 416 D CA -0.527 53.521 54.000 0.080 0.000 0.880 416 D CB 1.987 42.823 40.800 0.060 0.000 1.457 416 D HN 0.510 nan 8.370 nan 0.000 0.475 417 E N 1.095 121.304 120.200 0.014 0.000 2.241 417 E HA 0.279 4.631 4.350 0.002 0.000 0.263 417 E C -1.419 175.186 176.600 0.009 0.000 0.882 417 E CA -0.752 55.714 56.400 0.111 0.000 0.769 417 E CB 0.851 30.625 29.700 0.123 0.000 1.185 417 E HN 0.353 nan 8.360 nan 0.000 0.415 418 Y N 3.405 123.776 120.300 0.119 0.000 2.369 418 Y HA 0.265 4.817 4.550 0.002 0.000 0.337 418 Y C -0.788 175.237 175.900 0.207 0.000 0.961 418 Y CA -0.742 57.432 58.100 0.122 0.000 1.186 418 Y CB 0.756 39.271 38.460 0.092 0.000 1.139 418 Y HN 0.460 nan 8.280 nan 0.000 0.494 419 Y N 2.702 123.098 120.300 0.160 0.000 2.342 419 Y HA 0.628 5.179 4.550 0.001 0.000 0.338 419 Y C -0.449 175.549 175.900 0.163 0.000 0.965 419 Y CA -0.947 57.240 58.100 0.145 0.000 1.159 419 Y CB 0.919 39.436 38.460 0.094 0.000 1.157 419 Y HN 0.550 nan 8.280 nan 0.000 0.486 420 S N 4.036 119.667 115.700 -0.115 0.000 2.634 420 S HA 0.509 4.980 4.470 0.002 0.000 0.296 420 S C -1.157 173.297 174.600 -0.243 0.000 1.104 420 S CA -1.126 57.003 58.200 -0.119 0.000 0.920 420 S CB 1.729 64.919 63.200 -0.017 0.000 1.111 420 S HN 0.620 nan 8.310 nan 0.000 0.493 421 E N 0.853 120.923 120.200 -0.217 0.000 2.204 421 E HA 0.555 4.906 4.350 0.002 0.000 0.276 421 E C -0.879 175.562 176.600 -0.266 0.000 0.974 421 E CA -0.429 55.766 56.400 -0.342 0.000 0.815 421 E CB 1.117 30.643 29.700 -0.289 0.000 1.119 421 E HN 0.341 nan 8.360 nan 0.000 0.393 422 L N 1.911 122.953 121.223 -0.302 0.000 2.260 422 L HA 0.511 4.852 4.340 0.002 0.000 0.265 422 L C 0.342 177.099 176.870 -0.188 0.000 1.015 422 L CA -1.414 53.310 54.840 -0.194 0.000 0.826 422 L CB 1.019 42.992 42.059 -0.144 0.000 1.373 422 L HN 0.540 nan 8.230 nan 0.000 0.450 423 M N 0.069 119.591 119.600 -0.130 0.000 2.240 423 M HA 0.277 4.758 4.480 0.002 0.000 0.317 423 M C 0.182 176.422 176.300 -0.100 0.000 1.087 423 M CA -0.055 55.181 55.300 -0.107 0.000 1.176 423 M CB 0.089 32.643 32.600 -0.076 0.000 1.439 423 M HN 0.447 nan 8.290 nan 0.000 0.452 424 L N 1.303 122.477 121.223 -0.081 0.000 3.742 424 L HA -0.292 4.049 4.340 0.002 0.000 0.431 424 L C 0.941 177.775 176.870 -0.060 0.000 1.220 424 L CA 0.683 55.488 54.840 -0.058 0.000 0.863 424 L CB -2.796 39.240 42.059 -0.039 0.000 1.751 424 L HN 1.338 nan 8.230 nan 0.000 0.922 425 G N -2.125 106.616 108.800 -0.098 0.000 2.195 425 G HA2 -0.185 3.776 3.960 0.002 0.000 0.246 425 G HA3 -0.185 3.776 3.960 0.002 0.000 0.246 425 G C 0.632 175.439 174.900 -0.154 0.000 0.984 425 G CA 0.067 45.115 45.100 -0.087 0.000 0.633 425 G HN 1.115 nan 8.290 nan 0.000 0.525 426 G N -0.832 107.857 108.800 -0.183 0.000 2.684 426 G HA2 0.567 4.528 3.960 0.002 0.000 0.255 426 G HA3 0.567 4.528 3.960 0.002 0.000 0.255 426 G C -0.370 174.253 174.900 -0.463 0.000 1.219 426 G CA 0.304 45.310 45.100 -0.156 0.000 0.901 426 G HN 0.702 nan 8.290 nan 0.000 0.548 427 H N -1.647 117.388 119.070 -0.059 0.000 3.008 427 H HA 0.431 4.988 4.556 0.002 0.000 0.354 427 H C -0.491 174.800 175.328 -0.061 0.000 1.252 427 H CA -0.727 55.231 56.048 -0.149 0.000 1.117 427 H CB 1.919 31.552 29.762 -0.217 0.000 1.857 427 H HN 0.567 nan 8.280 nan 0.000 0.547 428 N N 0.990 119.715 118.700 0.042 0.000 2.296 428 N HA 0.338 5.079 4.740 0.002 0.000 0.294 428 N C -1.322 174.303 175.510 0.191 0.000 1.033 428 N CA -0.594 52.514 53.050 0.098 0.000 0.839 428 N CB 1.770 40.289 38.487 0.054 0.000 1.395 428 N HN 0.465 nan 8.380 nan 0.000 0.479 429 R N 5.292 125.939 120.500 0.244 0.000 2.388 429 R HA 0.412 4.753 4.340 0.002 0.000 0.314 429 R C -1.168 175.263 176.300 0.218 0.000 0.959 429 R CA -0.468 55.818 56.100 0.309 0.000 0.851 429 R CB 0.673 31.158 30.300 0.307 0.000 1.168 429 R HN 0.557 nan 8.270 nan 0.000 0.472 430 I N 3.328 124.043 120.570 0.241 0.000 2.354 430 I HA 0.237 4.408 4.170 0.002 0.000 0.286 430 I C -0.258 176.006 176.117 0.246 0.000 1.007 430 I CA -0.489 60.930 61.300 0.199 0.000 1.167 430 I CB 1.966 40.051 38.000 0.142 0.000 1.320 430 I HN 0.469 nan 8.210 nan 0.000 0.458 431 S N 7.119 122.929 115.700 0.183 0.000 2.525 431 S HA 0.701 5.173 4.470 0.002 0.000 0.290 431 S C -0.234 174.471 174.600 0.175 0.000 1.152 431 S CA -0.497 57.812 58.200 0.181 0.000 1.072 431 S CB 1.500 64.781 63.200 0.136 0.000 1.027 431 S HN 0.366 nan 8.310 nan 0.000 0.500 432 I N 2.368 123.057 120.570 0.199 0.000 2.730 432 I HA 0.372 4.543 4.170 0.002 0.000 0.298 432 I C -0.643 175.597 176.117 0.205 0.000 1.089 432 I CA -0.607 60.803 61.300 0.183 0.000 1.041 432 I CB 2.171 40.281 38.000 0.184 0.000 1.235 432 I HN 0.604 nan 8.210 nan 0.000 0.423 433 H N 5.479 124.595 119.070 0.076 0.000 2.906 433 H HA 0.362 4.919 4.556 0.002 0.000 0.324 433 H C -1.767 173.588 175.328 0.045 0.000 0.973 433 H CA -0.458 55.627 56.048 0.061 0.000 1.321 433 H CB 1.583 31.377 29.762 0.054 0.000 1.535 433 H HN 0.533 nan 8.280 nan 0.000 0.518 434 N N 5.013 123.598 118.700 -0.191 0.000 2.443 434 N HA 0.239 4.980 4.740 0.002 0.000 0.269 434 N C -1.341 174.048 175.510 -0.202 0.000 0.985 434 N CA -0.302 52.679 53.050 -0.115 0.000 0.921 434 N CB 1.630 40.090 38.487 -0.046 0.000 1.195 434 N HN 0.251 nan 8.380 nan 0.000 0.492 435 V N 2.686 122.531 119.914 -0.115 0.000 2.628 435 V HA 0.709 4.831 4.120 0.002 0.000 0.306 435 V C 0.085 176.165 176.094 -0.023 0.000 1.045 435 V CA -0.696 61.551 62.300 -0.088 0.000 0.905 435 V CB 1.176 32.989 31.823 -0.017 0.000 0.997 435 V HN 0.941 nan 8.190 nan 0.000 0.436 436 C N 1.947 121.236 119.300 -0.018 0.000 3.224 436 C HA 0.536 4.998 4.460 0.002 0.000 0.348 436 C C -0.990 174.007 174.990 0.012 0.000 1.242 436 C CA -0.977 58.046 59.018 0.009 0.000 1.180 436 C CB 0.986 28.736 27.740 0.016 0.000 1.458 436 C HN 0.843 nan 8.230 nan 0.000 0.485 437 E N 1.752 121.966 120.200 0.024 0.000 2.081 437 E HA 0.188 4.539 4.350 0.002 0.000 0.270 437 E C 0.661 177.277 176.600 0.026 0.000 1.180 437 E CA 0.211 56.624 56.400 0.023 0.000 0.926 437 E CB 0.384 30.099 29.700 0.025 0.000 1.035 437 E HN 0.599 nan 8.360 nan 0.000 0.418 438 D N 1.477 121.891 120.400 0.023 0.000 2.172 438 D HA -0.182 4.459 4.640 0.002 0.000 0.196 438 D C 1.134 177.455 176.300 0.035 0.000 0.999 438 D CA 1.369 55.386 54.000 0.029 0.000 0.856 438 D CB 0.228 41.046 40.800 0.031 0.000 0.934 438 D HN 0.279 nan 8.370 nan 0.000 0.453 439 S N -0.798 114.919 115.700 0.028 0.000 2.436 439 S HA 0.041 4.513 4.470 0.002 0.000 0.228 439 S C 2.007 176.625 174.600 0.031 0.000 1.014 439 S CA 0.138 58.353 58.200 0.025 0.000 0.950 439 S CB 0.098 63.304 63.200 0.011 0.000 0.784 439 S HN 0.300 nan 8.310 nan 0.000 0.504 440 L N 0.669 121.912 121.223 0.033 0.000 2.291 440 L HA 0.071 4.413 4.340 0.002 0.000 0.214 440 L C 2.019 178.929 176.870 0.068 0.000 1.120 440 L CA 0.664 55.530 54.840 0.044 0.000 0.799 440 L CB -0.278 41.805 42.059 0.041 0.000 0.925 440 L HN 0.310 nan 8.230 nan 0.000 0.446 441 L N -0.816 120.446 121.223 0.064 0.000 2.130 441 L HA -0.022 4.319 4.340 0.002 0.000 0.200 441 L C 2.780 179.701 176.870 0.086 0.000 1.075 441 L CA 0.944 55.831 54.840 0.077 0.000 0.768 441 L CB -0.309 41.788 42.059 0.062 0.000 0.933 441 L HN 0.183 nan 8.230 nan 0.000 0.451 442 A N -0.508 122.355 122.820 0.071 0.000 1.877 442 A HA -0.198 4.124 4.320 0.002 0.000 0.216 442 A C 2.239 179.863 177.584 0.067 0.000 1.186 442 A CA 2.260 54.340 52.037 0.072 0.000 0.620 442 A CB -0.955 18.079 19.000 0.056 0.000 0.822 442 A HN 0.380 nan 8.150 nan 0.000 0.443 443 T N 0.823 115.412 114.554 0.058 0.000 2.624 443 T HA -0.128 4.223 4.350 0.002 0.000 0.268 443 T C -0.198 174.546 174.700 0.073 0.000 1.041 443 T CA 2.027 64.161 62.100 0.058 0.000 1.159 443 T CB -1.198 67.704 68.868 0.056 0.000 0.863 443 T HN 0.526 nan 8.240 nan 0.000 0.434 444 P HA 0.023 nan 4.420 nan 0.000 0.222 444 P C 1.495 178.824 177.300 0.050 0.000 1.147 444 P CA 0.918 64.078 63.100 0.100 0.000 0.790 444 P CB -0.262 31.527 31.700 0.147 0.000 0.780 445 L N -1.055 120.216 121.223 0.079 0.000 2.109 445 L HA -0.057 4.284 4.340 0.002 0.000 0.207 445 L C 2.780 179.578 176.870 -0.120 0.000 1.086 445 L CA 1.008 55.889 54.840 0.067 0.000 0.760 445 L CB -0.753 41.443 42.059 0.229 0.000 0.910 445 L HN -0.144 nan 8.230 nan 0.000 0.437 446 I N 0.098 120.642 120.570 -0.044 0.000 2.286 446 I HA -0.306 3.865 4.170 0.002 0.000 0.248 446 I C 2.455 178.515 176.117 -0.096 0.000 1.115 446 I CA 1.474 62.732 61.300 -0.070 0.000 1.392 446 I CB -0.138 37.849 38.000 -0.021 0.000 1.065 446 I HN 0.191 nan 8.210 nan 0.000 0.418 447 I N 0.555 121.104 120.570 -0.035 0.000 2.226 447 I HA -0.306 3.865 4.170 0.002 0.000 0.245 447 I C 2.073 178.115 176.117 -0.124 0.000 1.100 447 I CA 1.347 62.667 61.300 0.033 0.000 1.374 447 I CB -0.484 37.503 38.000 -0.021 0.000 1.057 447 I HN 0.249 nan 8.210 nan 0.000 0.413 448 D N 0.945 121.145 120.400 -0.332 0.000 2.097 448 D HA -0.140 4.501 4.640 0.002 0.000 0.195 448 D C 2.342 178.116 176.300 -0.876 0.000 0.989 448 D CA 1.226 54.839 54.000 -0.645 0.000 0.827 448 D CB -0.347 39.887 40.800 -0.943 0.000 0.966 448 D HN 0.257 nan 8.370 nan 0.000 0.456 449 L N 0.293 120.999 121.223 -0.861 0.000 2.042 449 L HA -0.181 4.160 4.340 0.002 0.000 0.210 449 L C 2.531 179.223 176.870 -0.296 0.000 1.076 449 L CA 0.802 55.294 54.840 -0.581 0.000 0.749 449 L CB -0.315 41.554 42.059 -0.316 0.000 0.893 449 L HN 0.056 nan 8.230 nan 0.000 0.432 450 L N -1.640 119.455 121.223 -0.213 0.000 2.072 450 L HA -0.148 4.193 4.340 0.002 0.000 0.205 450 L C 2.493 179.341 176.870 -0.035 0.000 1.079 450 L CA 0.604 55.357 54.840 -0.145 0.000 0.752 450 L CB -0.579 41.318 42.059 -0.269 0.000 0.906 450 L HN 0.016 nan 8.230 nan 0.000 0.436 451 V N -0.436 119.494 119.914 0.027 0.000 2.295 451 V HA -0.292 3.829 4.120 0.002 0.000 0.246 451 V C 2.585 178.723 176.094 0.074 0.000 1.049 451 V CA 1.610 63.964 62.300 0.090 0.000 1.024 451 V CB -0.390 31.442 31.823 0.015 0.000 0.648 451 V HN 0.375 nan 8.190 nan 0.000 0.447 452 M N -0.629 118.946 119.600 -0.042 0.000 2.254 452 M HA -0.090 4.391 4.480 0.002 0.000 0.265 452 M C 2.239 178.615 176.300 0.127 0.000 1.066 452 M CA 1.631 56.965 55.300 0.057 0.000 1.123 452 M CB -1.444 31.136 32.600 -0.032 0.000 1.388 452 M HN 0.387 nan 8.290 nan 0.000 0.425 453 T N 0.178 114.760 114.554 0.046 0.000 2.777 453 T HA -0.132 4.219 4.350 0.002 0.000 0.266 453 T C 1.813 176.634 174.700 0.201 0.000 1.040 453 T CA 1.234 63.387 62.100 0.089 0.000 1.141 453 T CB -0.092 68.810 68.868 0.056 0.000 0.868 453 T HN 0.328 nan 8.240 nan 0.000 0.444 454 E N 0.744 121.046 120.200 0.171 0.000 2.077 454 E HA -0.120 4.231 4.350 0.002 0.000 0.193 454 E C 1.978 178.720 176.600 0.236 0.000 0.989 454 E CA 1.039 57.550 56.400 0.185 0.000 0.800 454 E CB -0.404 29.386 29.700 0.148 0.000 0.746 454 E HN 0.491 nan 8.360 nan 0.000 0.452 455 F N 1.176 121.203 119.950 0.129 0.000 2.095 455 F HA -0.257 4.272 4.527 0.003 0.000 0.298 455 F C 2.583 178.526 175.800 0.237 0.000 1.104 455 F CA 1.798 59.884 58.000 0.143 0.000 1.232 455 F CB -0.606 38.460 39.000 0.110 0.000 0.987 455 F HN 0.110 nan 8.300 nan 0.000 0.475 456 C N 0.289 119.797 119.300 0.346 0.000 2.411 456 C HA -0.189 4.273 4.460 0.002 0.000 0.279 456 C C 2.884 178.238 174.990 0.608 0.000 1.288 456 C CA 1.765 61.025 59.018 0.403 0.000 1.764 456 C CB -1.762 26.009 27.740 0.053 0.000 1.974 456 C HN 0.723 nan 8.230 nan 0.000 0.498 457 T N -1.417 113.459 114.554 0.536 0.000 3.007 457 T HA -0.103 4.248 4.350 0.002 0.000 0.270 457 T C 1.540 176.342 174.700 0.171 0.000 1.107 457 T CA 0.984 63.323 62.100 0.399 0.000 1.118 457 T CB -0.388 68.590 68.868 0.183 0.000 0.889 457 T HN 0.589 nan 8.240 nan 0.000 0.506 458 R N 0.382 120.931 120.500 0.081 0.000 2.388 458 R HA 0.380 4.721 4.340 0.002 0.000 0.247 458 R C -0.587 175.676 176.300 -0.062 0.000 0.931 458 R CA -0.170 55.906 56.100 -0.040 0.000 1.082 458 R CB 0.594 30.820 30.300 -0.124 0.000 1.135 458 R HN 0.291 nan 8.270 nan 0.000 0.525 459 V N 0.993 120.960 119.914 0.088 0.000 2.513 459 V HA 0.368 4.489 4.120 0.002 0.000 0.299 459 V C -0.012 176.185 176.094 0.172 0.000 1.035 459 V CA -0.550 61.843 62.300 0.155 0.000 0.889 459 V CB 1.779 33.845 31.823 0.405 0.000 0.988 459 V HN 0.266 nan 8.190 nan 0.000 0.440 460 S N 4.018 119.810 115.700 0.154 0.000 2.651 460 S HA 0.953 5.425 4.470 0.002 0.000 0.279 460 S C -1.201 173.564 174.600 0.274 0.000 1.148 460 S CA -0.730 57.525 58.200 0.092 0.000 0.837 460 S CB 2.402 65.588 63.200 -0.023 0.000 1.138 460 S HN 1.072 nan 8.310 nan 0.000 0.478 461 Y N -1.575 118.822 120.300 0.162 0.000 2.788 461 Y HA 0.827 5.378 4.550 0.002 0.000 0.335 461 Y C -1.628 174.171 175.900 -0.169 0.000 1.287 461 Y CA -1.216 56.840 58.100 -0.074 0.000 1.068 461 Y CB 0.824 38.813 38.460 -0.784 0.000 1.340 461 Y HN 1.068 nan 8.280 nan 0.000 0.449 462 K N 0.454 120.741 120.400 -0.188 0.000 2.557 462 K HA 0.476 4.797 4.320 0.002 0.000 0.257 462 K C -1.866 174.687 176.600 -0.078 0.000 0.933 462 K CA -1.133 54.990 56.287 -0.272 0.000 0.820 462 K CB 2.411 34.480 32.500 -0.719 0.000 1.330 462 K HN 0.628 nan 8.250 nan 0.000 0.432 463 K N 1.513 121.865 120.400 -0.079 0.000 2.414 463 K HA 0.164 4.485 4.320 0.002 0.000 0.272 463 K C -0.422 176.028 176.600 -0.250 0.000 0.993 463 K CA -0.500 55.614 56.287 -0.288 0.000 0.964 463 K CB 1.078 33.434 32.500 -0.241 0.000 0.925 463 K HN 0.325 nan 8.250 nan 0.000 0.487 464 V N 2.892 122.641 119.914 -0.275 0.000 2.398 464 V HA 0.028 4.149 4.120 0.002 0.000 0.286 464 V C -0.144 175.862 176.094 -0.147 0.000 1.026 464 V CA -0.762 61.436 62.300 -0.170 0.000 0.868 464 V CB 1.466 33.221 31.823 -0.114 0.000 0.982 464 V HN 0.695 nan 8.190 nan 0.000 0.443 465 D N 7.743 128.077 120.400 -0.110 0.000 2.316 465 D HA 0.232 4.873 4.640 0.002 0.000 0.245 465 D C -1.107 175.154 176.300 -0.065 0.000 1.171 465 D CA -1.850 52.099 54.000 -0.085 0.000 0.856 465 D CB 2.191 42.948 40.800 -0.070 0.000 1.090 465 D HN 0.251 nan 8.370 nan 0.000 0.476 466 P HA -0.163 nan 4.420 nan 0.000 0.215 466 P C 1.194 178.475 177.300 -0.033 0.000 1.157 466 P CA 1.091 64.165 63.100 -0.043 0.000 0.868 466 P CB 0.063 31.739 31.700 -0.041 0.000 0.788 467 V N -3.669 116.226 119.914 -0.032 0.000 3.499 467 V HA 0.325 4.447 4.120 0.002 0.000 0.308 467 V C 0.671 176.750 176.094 -0.026 0.000 1.319 467 V CA -0.045 62.239 62.300 -0.025 0.000 1.194 467 V CB -1.307 30.503 31.823 -0.022 0.000 1.072 467 V HN 0.008 nan 8.190 nan 0.000 0.426 468 K N 1.273 121.654 120.400 -0.031 0.000 2.729 468 K HA 0.282 4.603 4.320 0.002 0.000 0.269 468 K C -0.528 176.050 176.600 -0.036 0.000 1.065 468 K CA -0.308 55.960 56.287 -0.031 0.000 1.000 468 K CB 1.647 34.126 32.500 -0.035 0.000 1.283 468 K HN 0.498 nan 8.250 nan 0.000 0.491 469 E N 2.686 122.870 120.200 -0.027 0.000 2.392 469 E HA -0.005 4.346 4.350 0.002 0.000 0.264 469 E C -0.763 175.818 176.600 -0.031 0.000 1.024 469 E CA 0.499 56.883 56.400 -0.026 0.000 0.903 469 E CB 0.468 30.160 29.700 -0.013 0.000 0.963 469 E HN 0.641 nan 8.360 nan 0.000 0.432 470 D N 1.005 121.382 120.400 -0.038 0.000 2.723 470 D HA -0.217 4.425 4.640 0.002 0.000 0.236 470 D C -1.049 175.212 176.300 -0.064 0.000 1.138 470 D CA 0.926 54.898 54.000 -0.046 0.000 0.676 470 D CB -0.884 39.904 40.800 -0.021 0.000 1.069 470 D HN 0.507 nan 8.370 nan 0.000 0.430 471 A N 0.225 122.997 122.820 -0.081 0.000 2.279 471 A HA 0.821 5.142 4.320 0.002 0.000 0.303 471 A C 1.260 178.770 177.584 -0.124 0.000 1.108 471 A CA 0.243 52.230 52.037 -0.084 0.000 0.830 471 A CB 0.920 19.875 19.000 -0.075 0.000 1.106 471 A HN 1.137 nan 8.150 nan 0.000 0.493 472 G N 0.248 108.980 108.800 -0.114 0.000 2.825 472 G HA2 0.025 3.986 3.960 0.002 0.000 0.684 472 G HA3 0.025 3.986 3.960 0.002 0.000 0.684 472 G C -0.395 174.388 174.900 -0.194 0.000 1.528 472 G CA 0.154 45.168 45.100 -0.145 0.000 0.963 472 G HN 1.552 nan 8.290 nan 0.000 0.577 473 K N -0.115 120.174 120.400 -0.185 0.000 2.328 473 K HA 0.779 5.100 4.320 0.002 0.000 0.246 473 K C -0.267 176.189 176.600 -0.240 0.000 0.955 473 K CA -1.248 54.936 56.287 -0.171 0.000 0.817 473 K CB 1.426 33.894 32.500 -0.054 0.000 1.208 473 K HN 0.288 nan 8.250 nan 0.000 0.432 474 F N 1.719 121.586 119.950 -0.139 0.000 2.602 474 F HA 0.071 4.599 4.527 0.002 0.000 0.367 474 F C 0.930 176.554 175.800 -0.293 0.000 1.126 474 F CA 0.509 58.373 58.000 -0.227 0.000 1.321 474 F CB 0.464 39.358 39.000 -0.176 0.000 1.094 474 F HN 0.460 nan 8.300 nan 0.000 0.594 475 E N 1.539 121.520 120.200 -0.364 0.000 2.355 475 E HA 0.407 4.759 4.350 0.002 0.000 0.261 475 E C -0.804 175.493 176.600 -0.505 0.000 0.943 475 E CA -1.024 55.123 56.400 -0.422 0.000 0.806 475 E CB 1.475 30.883 29.700 -0.487 0.000 1.286 475 E HN 0.457 nan 8.360 nan 0.000 0.424 476 N N -0.043 118.544 118.700 -0.188 0.000 2.483 476 N HA 0.356 5.097 4.740 0.002 0.000 0.285 476 N C -0.284 175.432 175.510 0.345 0.000 1.210 476 N CA -0.519 52.573 53.050 0.069 0.000 0.931 476 N CB 0.516 39.088 38.487 0.142 0.000 1.220 476 N HN 0.184 nan 8.380 nan 0.000 0.542 477 F N 0.858 121.159 119.950 0.585 0.000 2.628 477 F HA -0.087 4.442 4.527 0.002 0.000 0.362 477 F C 1.082 177.096 175.800 0.357 0.000 1.148 477 F CA 0.218 58.492 58.000 0.457 0.000 1.352 477 F CB 0.027 39.134 39.000 0.179 0.000 1.081 477 F HN 0.343 nan 8.300 nan 0.000 0.605 478 Y N 5.832 126.351 120.300 0.364 0.000 2.620 478 Y HA 0.078 4.630 4.550 0.002 0.000 0.330 478 Y C -1.574 174.441 175.900 0.192 0.000 1.186 478 Y CA -1.652 56.567 58.100 0.199 0.000 1.467 478 Y CB 0.346 38.837 38.460 0.052 0.000 1.262 478 Y HN 0.441 nan 8.280 nan 0.000 0.550 479 P HA -0.312 nan 4.420 nan 0.000 0.225 479 P C -0.272 176.839 177.300 -0.314 0.000 1.154 479 P CA 1.931 64.837 63.100 -0.324 0.000 0.933 479 P CB -0.126 31.290 31.700 -0.474 0.000 0.790 480 V N 0.958 120.559 119.914 -0.522 0.000 2.397 480 V HA -0.035 4.086 4.120 0.002 0.000 0.262 480 V C 0.820 176.829 176.094 -0.141 0.000 1.047 480 V CA 0.221 62.403 62.300 -0.197 0.000 1.003 480 V CB -0.513 31.328 31.823 0.030 0.000 1.037 480 V HN 0.035 nan 8.190 nan 0.000 0.480 481 L N 6.040 127.117 121.223 -0.244 0.000 2.415 481 L HA 0.084 4.425 4.340 0.002 0.000 0.269 481 L C 1.925 178.689 176.870 -0.177 0.000 1.244 481 L CA -0.047 54.602 54.840 -0.317 0.000 1.113 481 L CB -0.074 41.724 42.059 -0.435 0.000 1.352 481 L HN 0.860 nan 8.230 nan 0.000 0.433 482 T N -2.829 111.618 114.554 -0.178 0.000 3.007 482 T HA -0.153 4.198 4.350 0.002 0.000 0.270 482 T C 1.475 176.137 174.700 -0.064 0.000 1.107 482 T CA 0.711 62.736 62.100 -0.125 0.000 1.118 482 T CB -0.330 68.432 68.868 -0.177 0.000 0.889 482 T HN 0.420 nan 8.240 nan 0.000 0.506 483 F N 0.970 120.803 119.950 -0.195 0.000 2.408 483 F HA 0.170 4.699 4.527 0.002 0.000 0.300 483 F C 1.685 177.503 175.800 0.029 0.000 1.090 483 F CA 0.360 58.266 58.000 -0.157 0.000 1.427 483 F CB -0.085 38.718 39.000 -0.327 0.000 1.070 483 F HN 0.190 nan 8.300 nan 0.000 0.549 484 L N -1.622 119.767 121.223 0.277 0.000 2.592 484 L HA 0.003 4.344 4.340 0.002 0.000 0.227 484 L C 2.014 179.115 176.870 0.384 0.000 1.127 484 L CA -0.082 55.042 54.840 0.473 0.000 0.884 484 L CB -0.441 41.811 42.059 0.322 0.000 1.065 484 L HN -0.067 nan 8.230 nan 0.000 0.457 485 S N 0.002 115.814 115.700 0.186 0.000 2.420 485 S HA -0.266 4.205 4.470 0.002 0.000 0.237 485 S C 1.833 176.459 174.600 0.043 0.000 1.023 485 S CA 1.422 59.684 58.200 0.103 0.000 0.991 485 S CB -0.378 62.852 63.200 0.050 0.000 0.792 485 S HN 0.545 nan 8.310 nan 0.000 0.488 486 Y N 0.759 120.933 120.300 -0.211 0.000 2.241 486 Y HA -0.176 4.375 4.550 0.002 0.000 0.286 486 Y C 1.537 177.160 175.900 -0.461 0.000 1.166 486 Y CA 1.503 59.304 58.100 -0.499 0.000 1.203 486 Y CB -0.175 37.666 38.460 -1.031 0.000 0.977 486 Y HN 0.371 nan 8.280 nan 0.000 0.529 487 W N 0.528 121.912 121.300 0.140 0.000 3.316 487 W HA 0.328 4.989 4.660 0.002 0.000 0.327 487 W C -0.839 175.690 176.519 0.015 0.000 1.232 487 W CA -0.051 57.334 57.345 0.066 0.000 1.805 487 W CB -0.258 29.282 29.460 0.133 0.000 1.090 487 W HN -0.051 nan 8.180 nan 0.000 0.654 488 L N -0.119 121.198 121.223 0.156 0.000 2.370 488 L HA 0.340 4.682 4.340 0.002 0.000 0.266 488 L C 1.385 178.284 176.870 0.049 0.000 1.002 488 L CA -0.732 54.177 54.840 0.116 0.000 0.818 488 L CB 2.287 44.428 42.059 0.137 0.000 1.325 488 L HN -0.362 nan 8.230 nan 0.000 0.418 489 K N 1.360 121.792 120.400 0.052 0.000 2.007 489 K HA 0.129 4.450 4.320 0.002 0.000 0.206 489 K C 0.522 177.144 176.600 0.038 0.000 1.047 489 K CA 1.186 57.493 56.287 0.034 0.000 0.937 489 K CB 0.120 32.644 32.500 0.039 0.000 0.718 489 K HN 0.644 nan 8.250 nan 0.000 0.438 490 A N 2.787 125.640 122.820 0.054 0.000 2.654 490 A HA 0.334 4.655 4.320 0.002 0.000 0.345 490 A C -2.588 175.036 177.584 0.067 0.000 1.368 490 A CA -1.653 50.419 52.037 0.057 0.000 0.895 490 A CB 0.240 19.280 19.000 0.067 0.000 1.143 490 A HN -0.049 nan 8.150 nan 0.000 0.490 491 P HA 0.040 nan 4.420 nan 0.000 0.258 491 P C -0.111 177.223 177.300 0.058 0.000 1.187 491 P CA 0.061 63.195 63.100 0.056 0.000 0.767 491 P CB 0.327 32.052 31.700 0.042 0.000 0.770 492 L N 5.420 126.675 121.223 0.055 0.000 2.410 492 L HA 0.301 4.642 4.340 0.002 0.000 0.273 492 L C 0.526 177.413 176.870 0.028 0.000 1.152 492 L CA 0.957 55.825 54.840 0.046 0.000 0.855 492 L CB 0.029 42.087 42.059 -0.001 0.000 1.129 492 L HN 0.458 nan 8.230 nan 0.000 0.463 493 T N 2.483 117.069 114.554 0.054 0.000 2.910 493 T HA 0.514 4.865 4.350 0.002 0.000 0.287 493 T C -0.069 174.670 174.700 0.065 0.000 1.050 493 T CA -1.023 61.106 62.100 0.048 0.000 1.011 493 T CB 0.977 69.904 68.868 0.098 0.000 1.195 493 T HN 0.720 nan 8.240 nan 0.000 0.540 494 R N 1.536 122.022 120.500 -0.024 0.000 2.490 494 R HA 0.320 4.662 4.340 0.002 0.000 0.280 494 R C -2.201 174.189 176.300 0.150 0.000 1.077 494 R CA -1.790 54.262 56.100 -0.080 0.000 1.065 494 R CB 0.208 30.113 30.300 -0.659 0.000 1.003 494 R HN 0.464 nan 8.270 nan 0.000 0.470 495 P HA -0.052 nan 4.420 nan 0.000 0.258 495 P C 0.205 177.648 177.300 0.239 0.000 1.187 495 P CA 1.184 64.393 63.100 0.182 0.000 0.767 495 P CB 0.740 32.523 31.700 0.140 0.000 0.770 496 G N 2.840 111.755 108.800 0.192 0.000 2.339 496 G HA2 -0.205 3.757 3.960 0.002 0.000 0.209 496 G HA3 -0.205 3.757 3.960 0.002 0.000 0.209 496 G C -0.246 174.624 174.900 -0.051 0.000 1.015 496 G CA -0.565 44.557 45.100 0.036 0.000 0.635 496 G HN 0.394 nan 8.290 nan 0.000 0.499 497 F N 2.539 122.494 119.950 0.009 0.000 2.375 497 F HA 0.642 5.170 4.527 0.002 0.000 0.333 497 F C 1.068 176.965 175.800 0.160 0.000 1.104 497 F CA -0.567 57.432 58.000 -0.001 0.000 1.149 497 F CB 0.625 39.601 39.000 -0.040 0.000 1.190 497 F HN 0.109 nan 8.300 nan 0.000 0.533 498 H N 2.430 121.591 119.070 0.152 0.000 2.467 498 H HA 0.299 4.856 4.556 0.002 0.000 0.331 498 H C -1.935 173.448 175.328 0.092 0.000 1.120 498 H CA -1.991 54.113 56.048 0.093 0.000 1.270 498 H CB 1.121 30.913 29.762 0.051 0.000 1.466 498 H HN 0.371 nan 8.280 nan 0.000 0.504 499 P HA 0.081 nan 4.420 nan 0.000 0.276 499 P C -0.771 176.583 177.300 0.090 0.000 1.244 499 P CA -0.400 62.763 63.100 0.106 0.000 0.801 499 P CB 1.443 33.186 31.700 0.071 0.000 1.006 500 V N 2.719 122.671 119.914 0.063 0.000 2.444 500 V HA 0.201 4.322 4.120 0.002 0.000 0.294 500 V C 0.698 176.810 176.094 0.031 0.000 1.022 500 V CA -0.323 62.008 62.300 0.051 0.000 0.850 500 V CB 1.071 32.923 31.823 0.050 0.000 0.992 500 V HN 0.489 nan 8.190 nan 0.000 0.426 501 N N 2.525 121.239 118.700 0.023 0.000 2.236 501 N HA 0.147 4.889 4.740 0.002 0.000 0.196 501 N C 1.160 176.665 175.510 -0.008 0.000 1.114 501 N CA 0.222 53.274 53.050 0.005 0.000 0.859 501 N CB 0.545 39.037 38.487 0.009 0.000 0.982 501 N HN 0.813 nan 8.380 nan 0.000 0.493 502 G N 1.017 109.822 108.800 0.008 0.000 2.255 502 G HA2 -0.005 3.956 3.960 0.002 0.000 0.267 502 G HA3 -0.005 3.956 3.960 0.002 0.000 0.267 502 G C 1.032 175.928 174.900 -0.007 0.000 1.177 502 G CA -0.204 44.901 45.100 0.009 0.000 1.027 502 G HN 0.179 nan 8.290 nan 0.000 0.437 503 L N 3.337 124.535 121.223 -0.043 0.000 1.971 503 L HA -0.191 4.150 4.340 0.002 0.000 0.215 503 L C 2.520 179.404 176.870 0.024 0.000 1.072 503 L CA 1.992 56.776 54.840 -0.092 0.000 0.758 503 L CB -0.242 41.722 42.059 -0.159 0.000 0.889 503 L HN 0.538 nan 8.230 nan 0.000 0.433 504 N N -0.212 118.510 118.700 0.037 0.000 2.149 504 N HA -0.211 4.530 4.740 0.002 0.000 0.188 504 N C 1.779 177.329 175.510 0.068 0.000 1.019 504 N CA 1.487 54.575 53.050 0.065 0.000 0.857 504 N CB -0.235 38.282 38.487 0.050 0.000 0.997 504 N HN 0.482 nan 8.380 nan 0.000 0.426 505 K N 0.883 121.317 120.400 0.056 0.000 2.155 505 K HA -0.028 4.294 4.320 0.002 0.000 0.203 505 K C 2.041 178.685 176.600 0.072 0.000 1.052 505 K CA 0.746 57.068 56.287 0.059 0.000 0.948 505 K CB 0.016 32.546 32.500 0.049 0.000 0.728 505 K HN 0.313 nan 8.250 nan 0.000 0.448 506 Q N 0.140 119.985 119.800 0.075 0.000 2.119 506 Q HA -0.131 4.210 4.340 0.002 0.000 0.201 506 Q C 2.148 178.206 176.000 0.097 0.000 0.972 506 Q CA 1.143 57.001 55.803 0.091 0.000 0.847 506 Q CB -0.052 28.728 28.738 0.069 0.000 0.903 506 Q HN 0.205 nan 8.270 nan 0.000 0.433 507 R N 0.257 120.826 120.500 0.116 0.000 2.090 507 R HA -0.082 4.259 4.340 0.002 0.000 0.228 507 R C 2.011 178.321 176.300 0.015 0.000 1.110 507 R CA 1.538 57.619 56.100 -0.033 0.000 0.973 507 R CB -0.054 30.220 30.300 -0.042 0.000 0.869 507 R HN 0.117 nan 8.270 nan 0.000 0.440 508 T N 0.705 115.291 114.554 0.053 0.000 2.720 508 T HA -0.155 4.197 4.350 0.002 0.000 0.268 508 T C 1.771 176.520 174.700 0.081 0.000 1.037 508 T CA 1.400 63.535 62.100 0.058 0.000 1.144 508 T CB -0.299 68.606 68.868 0.061 0.000 0.864 508 T HN 0.469 nan 8.240 nan 0.000 0.444 509 A N 1.160 124.055 122.820 0.125 0.000 1.883 509 A HA -0.030 4.291 4.320 0.002 0.000 0.217 509 A C 2.304 180.012 177.584 0.207 0.000 1.186 509 A CA 1.317 53.495 52.037 0.234 0.000 0.624 509 A CB -0.868 18.314 19.000 0.303 0.000 0.822 509 A HN 0.484 nan 8.150 nan 0.000 0.444 510 L N -0.953 120.313 121.223 0.073 0.000 2.046 510 L HA -0.200 4.141 4.340 0.002 0.000 0.208 510 L C 2.688 179.507 176.870 -0.085 0.000 1.077 510 L CA 1.807 56.599 54.840 -0.080 0.000 0.747 510 L CB -0.461 41.612 42.059 0.023 0.000 0.896 510 L HN 0.611 nan 8.230 nan 0.000 0.432 511 E N 0.723 120.902 120.200 -0.035 0.000 2.031 511 E HA -0.246 4.105 4.350 0.002 0.000 0.193 511 E C 1.842 178.373 176.600 -0.115 0.000 0.994 511 E CA 1.760 58.098 56.400 -0.102 0.000 0.800 511 E CB -0.052 29.631 29.700 -0.029 0.000 0.752 511 E HN 0.537 nan 8.360 nan 0.000 0.447 512 N N -0.528 118.156 118.700 -0.027 0.000 2.289 512 N HA -0.145 4.596 4.740 0.002 0.000 0.184 512 N C 1.689 177.173 175.510 -0.044 0.000 1.016 512 N CA 0.812 53.852 53.050 -0.017 0.000 0.872 512 N CB -0.174 38.349 38.487 0.061 0.000 0.973 512 N HN 0.196 nan 8.380 nan 0.000 0.433 513 F N 1.579 121.398 119.950 -0.218 0.000 2.084 513 F HA -0.113 4.415 4.527 0.002 0.000 0.296 513 F C 1.928 177.527 175.800 -0.335 0.000 1.111 513 F CA 0.940 58.752 58.000 -0.313 0.000 1.224 513 F CB -0.013 38.683 39.000 -0.505 0.000 0.991 513 F HN -0.060 nan 8.300 nan 0.000 0.471 514 L N 0.166 121.103 121.223 -0.476 0.000 2.046 514 L HA -0.226 4.116 4.340 0.002 0.000 0.208 514 L C 2.592 179.220 176.870 -0.404 0.000 1.077 514 L CA 1.359 55.859 54.840 -0.566 0.000 0.747 514 L CB -0.733 40.954 42.059 -0.620 0.000 0.896 514 L HN 0.112 nan 8.230 nan 0.000 0.432 515 R N 0.195 120.515 120.500 -0.300 0.000 2.091 515 R HA -0.196 4.146 4.340 0.002 0.000 0.238 515 R C 2.264 178.448 176.300 -0.193 0.000 1.136 515 R CA 1.741 57.717 56.100 -0.207 0.000 0.959 515 R CB -0.532 29.683 30.300 -0.141 0.000 0.856 515 R HN 0.324 nan 8.270 nan 0.000 0.437 516 L N -0.899 120.168 121.223 -0.261 0.000 2.201 516 L HA -0.031 4.310 4.340 0.002 0.000 0.212 516 L C 1.773 178.488 176.870 -0.258 0.000 1.105 516 L CA 1.588 56.257 54.840 -0.284 0.000 0.775 516 L CB -0.573 41.110 42.059 -0.627 0.000 0.913 516 L HN 0.039 nan 8.230 nan 0.000 0.440 517 L N 0.488 121.493 121.223 -0.364 0.000 2.201 517 L HA -0.045 4.296 4.340 0.002 0.000 0.212 517 L C 2.195 178.984 176.870 -0.135 0.000 1.105 517 L CA 1.203 55.874 54.840 -0.282 0.000 0.775 517 L CB -0.429 41.398 42.059 -0.385 0.000 0.913 517 L HN 0.513 nan 8.230 nan 0.000 0.440 518 I N -3.588 116.910 120.570 -0.121 0.000 3.891 518 I HA 0.408 4.579 4.170 0.002 0.000 0.331 518 I C 1.085 177.197 176.117 -0.008 0.000 1.406 518 I CA 0.325 61.598 61.300 -0.044 0.000 1.139 518 I CB -0.172 37.799 38.000 -0.049 0.000 1.056 518 I HN 0.167 nan 8.210 nan 0.000 0.399 519 G N 1.849 110.649 108.800 -0.001 0.000 2.137 519 G HA2 -0.214 3.747 3.960 0.002 0.000 0.237 519 G HA3 -0.214 3.747 3.960 0.002 0.000 0.237 519 G C -0.148 174.779 174.900 0.045 0.000 1.002 519 G CA 0.088 45.217 45.100 0.048 0.000 0.702 519 G HN 0.425 nan 8.290 nan 0.000 0.515 520 L N 1.345 122.573 121.223 0.009 0.000 2.331 520 L HA 0.579 4.920 4.340 0.002 0.000 0.275 520 L C -1.380 175.513 176.870 0.039 0.000 1.022 520 L CA -2.372 52.473 54.840 0.009 0.000 0.812 520 L CB 1.799 43.837 42.059 -0.035 0.000 1.257 520 L HN -0.024 nan 8.230 nan 0.000 0.435 521 P HA 0.135 nan 4.420 nan 0.000 0.276 521 P C -0.708 176.623 177.300 0.052 0.000 1.261 521 P CA -0.496 62.659 63.100 0.093 0.000 0.800 521 P CB 1.006 32.748 31.700 0.071 0.000 1.066 522 S N 0.223 115.971 115.700 0.079 0.000 2.584 522 S HA 0.081 4.552 4.470 0.002 0.000 0.270 522 S C 0.480 175.086 174.600 0.010 0.000 1.346 522 S CA -0.687 57.541 58.200 0.047 0.000 1.018 522 S CB -0.112 63.139 63.200 0.084 0.000 0.899 522 S HN 0.358 nan 8.310 nan 0.000 0.542 523 Q N 2.122 121.918 119.800 -0.007 0.000 2.311 523 Q HA 0.095 4.436 4.340 0.002 0.000 0.272 523 Q C 0.500 176.482 176.000 -0.029 0.000 1.012 523 Q CA 0.159 55.945 55.803 -0.029 0.000 0.891 523 Q CB 0.420 29.142 28.738 -0.027 0.000 1.201 523 Q HN 0.973 nan 8.270 nan 0.000 0.391 524 N N 0.717 119.382 118.700 -0.059 0.000 2.397 524 N HA -0.053 4.688 4.740 0.002 0.000 0.190 524 N C -0.346 175.105 175.510 -0.098 0.000 1.099 524 N CA 0.002 53.005 53.050 -0.079 0.000 0.876 524 N CB 0.481 38.899 38.487 -0.115 0.000 1.143 524 N HN 0.349 nan 8.380 nan 0.000 0.468 525 E N -0.476 119.665 120.200 -0.100 0.000 2.971 525 E HA -0.183 4.168 4.350 0.002 0.000 0.278 525 E C 0.506 177.026 176.600 -0.135 0.000 1.009 525 E CA 0.468 56.815 56.400 -0.088 0.000 0.862 525 E CB -1.882 27.791 29.700 -0.044 0.000 1.436 525 E HN 0.519 nan 8.360 nan 0.000 0.434 526 L N -0.450 120.619 121.223 -0.256 0.000 2.179 526 L HA 0.065 4.407 4.340 0.002 0.000 0.208 526 L C 1.099 177.759 176.870 -0.350 0.000 1.096 526 L CA 0.614 55.186 54.840 -0.446 0.000 0.779 526 L CB -0.147 41.323 42.059 -0.982 0.000 0.922 526 L HN 0.078 nan 8.230 nan 0.000 0.443 527 R N -0.613 119.744 120.500 -0.238 0.000 3.225 527 R HA -0.231 4.110 4.340 0.002 0.000 0.245 527 R C 0.362 176.708 176.300 0.076 0.000 0.928 527 R CA 0.038 56.097 56.100 -0.069 0.000 0.632 527 R CB -1.870 28.421 30.300 -0.015 0.000 1.038 527 R HN 0.134 nan 8.270 nan 0.000 0.461 528 F N 0.240 120.192 119.950 0.004 0.000 2.641 528 F HA -0.065 4.463 4.527 0.002 0.000 0.298 528 F C 1.885 177.687 175.800 0.003 0.000 1.146 528 F CA 1.096 59.098 58.000 0.004 0.000 1.464 528 F CB -0.036 38.966 39.000 0.004 0.000 1.101 528 F HN 0.182 nan 8.300 nan 0.000 0.585 529 E N -0.281 120.023 120.200 0.174 0.000 2.347 529 E HA -0.148 4.203 4.350 0.002 0.000 0.196 529 E C 2.066 178.716 176.600 0.082 0.000 1.008 529 E CA 0.859 57.319 56.400 0.100 0.000 0.852 529 E CB -0.051 29.685 29.700 0.060 0.000 0.783 529 E HN 0.498 nan 8.360 nan 0.000 0.505 530 E N 0.008 120.266 120.200 0.097 0.000 2.207 530 E HA 0.066 4.418 4.350 0.002 0.000 0.197 530 E C 1.755 178.404 176.600 0.083 0.000 0.914 530 E CA -0.094 56.350 56.400 0.074 0.000 0.914 530 E CB 0.206 29.942 29.700 0.060 0.000 0.893 530 E HN 0.009 nan 8.360 nan 0.000 0.479 531 R N 0.240 120.819 120.500 0.132 0.000 2.148 531 R HA 0.067 4.408 4.340 0.002 0.000 0.227 531 R C 0.569 176.902 176.300 0.057 0.000 1.103 531 R CA 0.585 56.759 56.100 0.122 0.000 0.983 531 R CB 0.013 30.446 30.300 0.222 0.000 0.874 531 R HN 0.163 nan 8.270 nan 0.000 0.451 532 L N 1.525 122.774 121.223 0.042 0.000 2.334 532 L HA 0.291 4.632 4.340 0.002 0.000 0.276 532 L C 0.300 177.161 176.870 -0.014 0.000 1.014 532 L CA -1.089 53.725 54.840 -0.044 0.000 0.815 532 L CB 1.349 43.314 42.059 -0.156 0.000 1.268 532 L HN -0.136 nan 8.230 nan 0.000 0.428 533 L N 0.000 121.207 121.223 -0.027 0.000 2.949 533 L HA 0.000 4.341 4.340 0.002 0.000 0.249 533 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 533 L CB 0.000 42.048 42.059 -0.019 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502