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 1gkr_1_C DATA FIRST_RESID 1 DATA SEQUENCE MFDVIVKNCR LVSSDGITEA DILVKDGKVA AISADTSDVE ASRTIDAGGK DATA SEQUENCE FVMPGVVDEH VHIIDMDLKN RYGRFELDSE SAAVGGITTI IEMPITFPPT DATA SEQUENCE TTLDAFLEKK KQAGQRLKVD FALYGGGVPG NLPEIRKMHD AGAVGFXSMM DATA SEQUENCE AASVPGMFDA VSDGELFEIF QEIAACGSVI VVHAENETII QALQKQIKAA DATA SEQUENCE GGKDMAAYEA SQPVFQENEA IQRALLLQKE AGCRLIVLHV SNPDGVELIH DATA SEQUENCE QAQSEGQDVH CESGPQYLNI TTDDAERIGP YMKVAPPVRS AEMNIRLWEQ DATA SEQUENCE LENGLIDTLG SDHGGHPVED KEPGWKDVWK AGNGALGLET SLPMMLTNGV DATA SEQUENCE NKGRLSLERL VEVMCEKPAK LFGIYPQKGT LQVGSDADLL ILDLDIDTKV DATA SEQUENCE DASQFRSLHK YSPFDGMPVT GAPVLTMVRG TVVAEKGEVL VEQGFGQFVT DATA SEQUENCE R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.000 176.300 -0.500 0.000 1.140 1 M CA 0.000 55.079 55.300 -0.368 0.000 0.988 1 M CB 0.000 32.520 32.600 -0.134 0.000 1.302 2 F N 1.479 121.427 119.950 -0.003 0.000 2.450 2 F HA 0.439 4.966 4.527 -0.000 0.000 0.332 2 F C 0.849 176.647 175.800 -0.002 0.000 1.093 2 F CA -0.208 57.790 58.000 -0.003 0.000 1.003 2 F CB 0.914 39.912 39.000 -0.004 0.000 1.151 2 F HN 0.531 nan 8.300 nan 0.000 0.474 3 D N 0.603 121.120 120.400 0.195 0.000 2.117 3 D HA -0.034 4.606 4.640 -0.000 0.000 0.198 3 D C 0.189 176.546 176.300 0.096 0.000 0.982 3 D CA 1.411 55.475 54.000 0.107 0.000 0.828 3 D CB 0.384 41.234 40.800 0.082 0.000 0.967 3 D HN 0.196 nan 8.370 nan 0.000 0.464 4 V N -0.220 119.756 119.914 0.104 0.000 3.077 4 V HA 0.422 4.542 4.120 -0.000 0.000 0.299 4 V C -1.912 174.192 176.094 0.017 0.000 1.276 4 V CA -0.827 61.505 62.300 0.053 0.000 0.993 4 V CB 2.543 34.384 31.823 0.030 0.000 1.076 4 V HN -0.104 nan 8.190 nan 0.000 0.434 5 I N 5.336 125.902 120.570 -0.007 0.000 2.466 5 I HA 0.511 4.681 4.170 -0.000 0.000 0.289 5 I C -0.878 175.214 176.117 -0.041 0.000 1.026 5 I CA -0.933 60.334 61.300 -0.054 0.000 1.078 5 I CB 2.225 40.191 38.000 -0.057 0.000 1.249 5 I HN 0.414 nan 8.210 nan 0.000 0.429 6 V N 7.119 127.003 119.914 -0.051 0.000 2.328 6 V HA 0.347 4.467 4.120 -0.000 0.000 0.278 6 V C 0.074 176.141 176.094 -0.045 0.000 1.021 6 V CA -0.673 61.605 62.300 -0.038 0.000 0.838 6 V CB 1.017 32.822 31.823 -0.031 0.000 0.999 6 V HN 0.695 nan 8.190 nan 0.000 0.447 7 K N 3.164 123.541 120.400 -0.039 0.000 2.221 7 K HA 0.593 4.913 4.320 -0.000 0.000 0.243 7 K C -0.229 176.347 176.600 -0.040 0.000 0.968 7 K CA -0.921 55.342 56.287 -0.041 0.000 0.846 7 K CB 1.103 33.580 32.500 -0.039 0.000 1.141 7 K HN 0.404 nan 8.250 nan 0.000 0.434 8 N N -0.393 118.281 118.700 -0.042 0.000 2.746 8 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 8 N C -1.043 174.433 175.510 -0.056 0.000 1.055 8 N CA 0.516 53.537 53.050 -0.048 0.000 0.699 8 N CB -2.099 36.359 38.487 -0.048 0.000 0.919 8 N HN 0.600 nan 8.380 nan 0.000 0.548 9 C N 0.445 119.717 119.300 -0.046 0.000 2.365 9 C HA 0.436 4.896 4.460 -0.000 0.000 0.351 9 C C 1.535 176.500 174.990 -0.041 0.000 1.240 9 C CA -0.689 58.305 59.018 -0.040 0.000 2.062 9 C CB 1.368 29.096 27.740 -0.020 0.000 2.387 9 C HN 0.302 nan 8.230 nan 0.000 0.537 10 R N 2.079 122.549 120.500 -0.050 0.000 2.575 10 R HA 0.333 4.673 4.340 -0.000 0.000 0.281 10 R C -0.772 175.595 176.300 0.111 0.000 1.272 10 R CA -0.585 55.499 56.100 -0.026 0.000 1.417 10 R CB 0.118 30.279 30.300 -0.233 0.000 1.121 10 R HN 0.662 nan 8.270 nan 0.000 0.583 11 L N 4.403 125.673 121.223 0.078 0.000 2.500 11 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 11 L C -0.477 176.456 176.870 0.105 0.000 1.149 11 L CA 0.405 55.294 54.840 0.082 0.000 0.897 11 L CB 1.140 43.222 42.059 0.038 0.000 1.178 11 L HN 0.248 nan 8.230 nan 0.000 0.473 12 V N 5.665 125.644 119.914 0.108 0.000 2.483 12 V HA 0.922 5.042 4.120 -0.000 0.000 0.295 12 V C -0.117 176.003 176.094 0.043 0.000 1.035 12 V CA 0.458 62.802 62.300 0.074 0.000 0.896 12 V CB 1.684 33.531 31.823 0.040 0.000 0.986 12 V HN 1.088 nan 8.190 nan 0.000 0.447 13 S N 3.290 119.011 115.700 0.036 0.000 2.740 13 S HA 0.470 4.940 4.470 -0.000 0.000 0.300 13 S C 1.082 175.698 174.600 0.026 0.000 1.147 13 S CA 0.004 58.226 58.200 0.037 0.000 0.871 13 S CB 1.241 64.467 63.200 0.044 0.000 1.173 13 S HN 1.741 nan 8.310 nan 0.000 0.510 14 S N -0.052 115.666 115.700 0.030 0.000 2.442 14 S HA -0.119 4.351 4.470 -0.000 0.000 0.236 14 S C 0.509 175.118 174.600 0.015 0.000 1.007 14 S CA 1.338 59.548 58.200 0.018 0.000 0.965 14 S CB -1.048 62.162 63.200 0.016 0.000 0.773 14 S HN 0.901 nan 8.310 nan 0.000 0.504 15 D N -0.252 120.160 120.400 0.020 0.000 2.772 15 D HA 0.547 5.187 4.640 -0.000 0.000 0.272 15 D C 0.505 176.818 176.300 0.021 0.000 1.314 15 D CA -0.045 53.966 54.000 0.018 0.000 0.835 15 D CB 0.185 40.996 40.800 0.018 0.000 1.080 15 D HN 0.567 nan 8.370 nan 0.000 0.482 16 G N -0.627 108.187 108.800 0.022 0.000 2.326 16 G HA2 0.239 4.199 3.960 -0.000 0.000 0.413 16 G HA3 0.239 4.199 3.960 -0.000 0.000 0.413 16 G C -1.704 173.223 174.900 0.044 0.000 1.444 16 G CA -1.196 43.922 45.100 0.030 0.000 1.002 16 G HN 0.099 nan 8.290 nan 0.000 0.649 17 I N 1.472 122.079 120.570 0.062 0.000 2.336 17 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 17 I C 0.864 177.024 176.117 0.072 0.000 0.991 17 I CA -0.490 60.868 61.300 0.097 0.000 1.227 17 I CB 1.843 39.947 38.000 0.173 0.000 1.366 17 I HN 0.755 nan 8.210 nan 0.000 0.466 18 T N 1.789 116.379 114.554 0.059 0.000 2.841 18 T HA 0.575 4.925 4.350 -0.000 0.000 0.283 18 T C -0.406 174.309 174.700 0.025 0.000 1.000 18 T CA -0.999 61.122 62.100 0.036 0.000 0.977 18 T CB 1.218 70.100 68.868 0.024 0.000 0.979 18 T HN 0.468 nan 8.240 nan 0.000 0.446 19 E N 1.392 121.599 120.200 0.011 0.000 2.105 19 E HA 0.580 4.930 4.350 -0.000 0.000 0.285 19 E C -0.132 176.460 176.600 -0.013 0.000 1.055 19 E CA -0.602 55.795 56.400 -0.006 0.000 0.843 19 E CB 0.977 30.668 29.700 -0.014 0.000 1.067 19 E HN 0.896 nan 8.360 nan 0.000 0.398 20 A N 3.634 126.443 122.820 -0.019 0.000 2.493 20 A HA 0.516 4.836 4.320 -0.000 0.000 0.300 20 A C -1.592 175.969 177.584 -0.037 0.000 1.152 20 A CA -0.956 51.065 52.037 -0.027 0.000 0.643 20 A CB 1.428 20.413 19.000 -0.025 0.000 1.316 20 A HN 0.455 nan 8.150 nan 0.000 0.469 21 D N 0.113 120.483 120.400 -0.050 0.000 2.342 21 D HA 0.647 5.287 4.640 -0.000 0.000 0.243 21 D C -0.899 175.349 176.300 -0.085 0.000 1.019 21 D CA 0.089 54.050 54.000 -0.065 0.000 0.864 21 D CB 1.624 42.380 40.800 -0.073 0.000 1.315 21 D HN 0.448 nan 8.370 nan 0.000 0.468 22 I N 1.693 122.209 120.570 -0.090 0.000 2.378 22 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 22 I C -0.572 175.449 176.117 -0.161 0.000 0.992 22 I CA -0.792 60.444 61.300 -0.107 0.000 1.154 22 I CB 1.266 39.225 38.000 -0.068 0.000 1.315 22 I HN 0.026 nan 8.210 nan 0.000 0.448 23 L N 7.279 128.354 121.223 -0.247 0.000 2.287 23 L HA 0.531 4.871 4.340 -0.000 0.000 0.287 23 L C -0.196 176.530 176.870 -0.241 0.000 1.022 23 L CA -0.602 53.982 54.840 -0.426 0.000 0.814 23 L CB 1.427 42.919 42.059 -0.945 0.000 1.217 23 L HN 0.363 nan 8.230 nan 0.000 0.420 24 V N 4.160 124.016 119.914 -0.096 0.000 2.555 24 V HA 0.707 4.826 4.120 -0.000 0.000 0.302 24 V C -0.677 175.504 176.094 0.145 0.000 1.038 24 V CA -0.511 61.801 62.300 0.021 0.000 0.887 24 V CB 2.257 34.086 31.823 0.011 0.000 0.991 24 V HN 0.913 nan 8.190 nan 0.000 0.434 25 K N 3.809 124.300 120.400 0.150 0.000 2.501 25 K HA 0.437 4.757 4.320 -0.000 0.000 0.252 25 K C -0.741 175.905 176.600 0.077 0.000 0.934 25 K CA -0.293 56.086 56.287 0.153 0.000 0.797 25 K CB 1.501 34.131 32.500 0.218 0.000 1.270 25 K HN 0.855 nan 8.250 nan 0.000 0.431 26 D N 3.107 123.539 120.400 0.053 0.000 2.723 26 D HA -0.186 4.454 4.640 -0.000 0.000 0.236 26 D C 0.611 176.925 176.300 0.022 0.000 1.138 26 D CA 1.875 55.893 54.000 0.029 0.000 0.676 26 D CB -1.144 39.666 40.800 0.017 0.000 1.069 26 D HN 1.097 nan 8.370 nan 0.000 0.430 27 G N -0.437 108.382 108.800 0.032 0.000 2.184 27 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 27 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 27 G C 0.278 175.182 174.900 0.007 0.000 0.975 27 G CA 1.178 46.292 45.100 0.024 0.000 0.642 27 G HN 0.656 nan 8.290 nan 0.000 0.536 28 K N -0.521 119.884 120.400 0.009 0.000 2.400 28 K HA 0.756 5.076 4.320 -0.000 0.000 0.246 28 K C -0.293 176.307 176.600 0.000 0.000 0.995 28 K CA -1.176 55.107 56.287 -0.007 0.000 0.840 28 K CB 2.415 34.905 32.500 -0.018 0.000 1.293 28 K HN 0.056 nan 8.250 nan 0.000 0.445 29 V N 1.780 121.682 119.914 -0.020 0.000 2.485 29 V HA 0.036 4.156 4.120 -0.000 0.000 0.287 29 V C 0.966 177.054 176.094 -0.010 0.000 1.022 29 V CA 0.417 62.701 62.300 -0.027 0.000 1.067 29 V CB 0.393 32.190 31.823 -0.043 0.000 0.967 29 V HN 1.039 nan 8.190 nan 0.000 0.479 30 A N 4.232 127.054 122.820 0.002 0.000 2.063 30 A HA 0.752 5.072 4.320 -0.000 0.000 0.211 30 A C 0.947 178.538 177.584 0.011 0.000 1.177 30 A CA 0.842 52.914 52.037 0.059 0.000 0.759 30 A CB 0.219 19.352 19.000 0.222 0.000 0.857 30 A HN 1.281 nan 8.150 nan 0.000 0.468 31 A N -1.072 121.697 122.820 -0.084 0.000 2.597 31 A HA 0.646 4.966 4.320 -0.000 0.000 0.292 31 A C -1.567 175.944 177.584 -0.121 0.000 1.057 31 A CA -0.407 51.571 52.037 -0.099 0.000 0.674 31 A CB 0.491 19.413 19.000 -0.129 0.000 1.278 31 A HN 0.259 nan 8.150 nan 0.000 0.416 32 I N 1.805 122.325 120.570 -0.083 0.000 2.478 32 I HA 0.583 4.752 4.170 -0.000 0.000 0.287 32 I C 0.032 176.112 176.117 -0.061 0.000 1.042 32 I CA -0.379 60.878 61.300 -0.072 0.000 1.067 32 I CB 2.107 40.080 38.000 -0.045 0.000 1.233 32 I HN 0.789 nan 8.210 nan 0.000 0.431 33 S N 4.125 119.784 115.700 -0.068 0.000 2.588 33 S HA 0.694 5.164 4.470 -0.000 0.000 0.275 33 S C 0.492 175.067 174.600 -0.041 0.000 1.130 33 S CA -0.088 58.081 58.200 -0.050 0.000 0.855 33 S CB 2.015 65.181 63.200 -0.056 0.000 1.116 33 S HN 0.676 nan 8.310 nan 0.000 0.472 34 A N 1.010 123.814 122.820 -0.028 0.000 1.969 34 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 34 A C 0.798 178.367 177.584 -0.025 0.000 1.169 34 A CA 1.529 53.553 52.037 -0.022 0.000 0.635 34 A CB -0.567 18.425 19.000 -0.015 0.000 0.810 34 A HN 0.909 nan 8.150 nan 0.000 0.445 35 D N -1.748 118.637 120.400 -0.025 0.000 2.990 35 D HA 0.258 4.898 4.640 -0.000 0.000 0.227 35 D C -0.398 175.887 176.300 -0.025 0.000 1.249 35 D CA 0.412 54.399 54.000 -0.023 0.000 0.891 35 D CB 1.565 42.357 40.800 -0.014 0.000 1.647 35 D HN 0.058 nan 8.370 nan 0.000 0.530 36 T N -0.274 114.264 114.554 -0.028 0.000 3.182 36 T HA 0.130 4.480 4.350 -0.000 0.000 0.277 36 T C 1.524 176.221 174.700 -0.004 0.000 1.013 36 T CA -0.158 61.927 62.100 -0.025 0.000 0.900 36 T CB 0.264 69.100 68.868 -0.054 0.000 1.098 36 T HN 0.170 nan 8.240 nan 0.000 0.543 37 S N 2.508 118.206 115.700 -0.003 0.000 2.399 37 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 37 S C 0.866 175.474 174.600 0.013 0.000 1.063 37 S CA 1.628 59.830 58.200 0.003 0.000 1.070 37 S CB -0.257 62.944 63.200 0.001 0.000 0.904 37 S HN 0.632 nan 8.310 nan 0.000 0.456 38 D N 1.019 121.431 120.400 0.020 0.000 3.068 38 D HA 0.327 4.967 4.640 -0.000 0.000 0.327 38 D C -0.646 175.685 176.300 0.051 0.000 1.361 38 D CA 0.065 54.083 54.000 0.030 0.000 0.877 38 D CB 0.804 41.618 40.800 0.024 0.000 1.088 38 D HN 0.266 nan 8.370 nan 0.000 0.489 39 V N -2.494 117.461 119.914 0.068 0.000 2.876 39 V HA 0.568 4.688 4.120 -0.000 0.000 0.312 39 V C -0.280 175.888 176.094 0.123 0.000 1.085 39 V CA -1.013 61.364 62.300 0.128 0.000 0.945 39 V CB 2.853 34.792 31.823 0.192 0.000 1.017 39 V HN -0.109 nan 8.190 nan 0.000 0.428 40 E N 2.060 122.340 120.200 0.134 0.000 2.191 40 E HA 0.791 5.141 4.350 -0.000 0.000 0.278 40 E C -0.380 176.309 176.600 0.148 0.000 0.972 40 E CA -0.638 55.821 56.400 0.099 0.000 0.804 40 E CB 2.098 31.826 29.700 0.046 0.000 1.110 40 E HN 1.155 nan 8.360 nan 0.000 0.394 41 A N 1.655 124.544 122.820 0.115 0.000 2.449 41 A HA 0.393 4.713 4.320 -0.000 0.000 0.302 41 A C 0.545 178.171 177.584 0.070 0.000 1.048 41 A CA -0.675 51.439 52.037 0.129 0.000 0.708 41 A CB 1.623 20.701 19.000 0.131 0.000 1.274 41 A HN 0.569 nan 8.150 nan 0.000 0.410 42 S N 0.086 115.822 115.700 0.060 0.000 2.370 42 S HA -0.087 4.383 4.470 -0.000 0.000 0.226 42 S C 1.044 175.662 174.600 0.030 0.000 1.033 42 S CA 1.912 60.133 58.200 0.036 0.000 1.011 42 S CB -0.194 63.024 63.200 0.031 0.000 0.852 42 S HN 0.767 nan 8.310 nan 0.000 0.457 43 R N 0.507 121.027 120.500 0.034 0.000 2.744 43 R HA 0.531 4.871 4.340 -0.000 0.000 0.279 43 R C -1.640 174.672 176.300 0.020 0.000 0.977 43 R CA -0.108 56.005 56.100 0.021 0.000 0.906 43 R CB 1.720 32.030 30.300 0.016 0.000 1.197 43 R HN -0.099 nan 8.270 nan 0.000 0.463 44 T N 4.889 119.449 114.554 0.010 0.000 2.879 44 T HA 0.539 4.889 4.350 -0.000 0.000 0.290 44 T C -0.893 173.804 174.700 -0.004 0.000 0.993 44 T CA -0.547 61.556 62.100 0.003 0.000 0.975 44 T CB 0.697 69.567 68.868 0.004 0.000 0.981 44 T HN 0.326 nan 8.240 nan 0.000 0.439 45 I N 3.038 123.602 120.570 -0.010 0.000 2.406 45 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 45 I C -0.222 175.885 176.117 -0.018 0.000 0.999 45 I CA -0.747 60.545 61.300 -0.013 0.000 1.124 45 I CB 1.844 39.836 38.000 -0.013 0.000 1.289 45 I HN 0.573 nan 8.210 nan 0.000 0.441 46 D N 5.006 125.396 120.400 -0.018 0.000 2.373 46 D HA 0.435 5.075 4.640 -0.000 0.000 0.227 46 D C 0.654 176.939 176.300 -0.025 0.000 1.091 46 D CA -0.284 53.702 54.000 -0.022 0.000 0.840 46 D CB 2.132 42.920 40.800 -0.021 0.000 1.060 46 D HN 0.657 nan 8.370 nan 0.000 0.502 47 A N 2.620 125.422 122.820 -0.031 0.000 2.167 47 A HA 0.259 4.578 4.320 -0.000 0.000 0.214 47 A C 1.627 179.183 177.584 -0.047 0.000 1.151 47 A CA 0.839 52.855 52.037 -0.034 0.000 0.735 47 A CB -0.381 18.597 19.000 -0.036 0.000 0.802 47 A HN 0.902 nan 8.150 nan 0.000 0.467 48 G N -1.712 107.060 108.800 -0.047 0.000 2.258 48 G HA2 0.096 4.056 3.960 -0.000 0.000 0.274 48 G HA3 0.096 4.056 3.960 -0.000 0.000 0.274 48 G C 1.457 176.311 174.900 -0.078 0.000 1.021 48 G CA 0.946 46.014 45.100 -0.053 0.000 0.798 48 G HN 2.086 nan 8.290 nan 0.000 0.507 49 G N -1.694 107.049 108.800 -0.095 0.000 2.143 49 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.249 49 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.249 49 G C 0.472 175.230 174.900 -0.236 0.000 0.981 49 G CA 1.088 46.100 45.100 -0.146 0.000 0.665 49 G HN 0.963 nan 8.290 nan 0.000 0.528 50 K N -0.686 119.604 120.400 -0.183 0.000 2.138 50 K HA 0.527 4.847 4.320 -0.000 0.000 0.251 50 K C 0.138 176.596 176.600 -0.236 0.000 1.015 50 K CA -0.622 55.534 56.287 -0.219 0.000 0.917 50 K CB 0.488 32.944 32.500 -0.073 0.000 1.021 50 K HN 0.024 nan 8.250 nan 0.000 0.485 51 F N 0.862 120.811 119.950 -0.002 0.000 2.484 51 F HA 0.083 4.610 4.527 -0.000 0.000 0.360 51 F C 0.417 176.215 175.800 -0.003 0.000 1.101 51 F CA -0.276 57.723 58.000 -0.001 0.000 1.251 51 F CB 0.531 39.532 39.000 0.002 0.000 1.132 51 F HN -0.018 nan 8.300 nan 0.000 0.570 52 V N 5.545 125.571 119.914 0.187 0.000 2.540 52 V HA 0.560 4.679 4.120 -0.000 0.000 0.302 52 V C -0.054 176.098 176.094 0.097 0.000 1.035 52 V CA -0.768 61.592 62.300 0.101 0.000 0.873 52 V CB 1.625 33.477 31.823 0.049 0.000 0.992 52 V HN 0.773 nan 8.190 nan 0.000 0.428 53 M N 4.693 124.332 119.600 0.066 0.000 2.658 53 M HA 0.813 5.293 4.480 -0.000 0.000 0.295 53 M C -3.088 173.229 176.300 0.027 0.000 1.248 53 M CA -2.226 53.101 55.300 0.045 0.000 0.843 53 M CB 2.416 35.037 32.600 0.035 0.000 1.749 53 M HN 0.220 nan 8.290 nan 0.000 0.464 54 P HA 0.240 nan 4.420 nan 0.000 0.272 54 P C -0.071 177.235 177.300 0.010 0.000 1.230 54 P CA 0.006 63.113 63.100 0.011 0.000 0.788 54 P CB 0.391 32.098 31.700 0.012 0.000 0.949 55 G N 0.978 109.780 108.800 0.003 0.000 2.414 55 G HA2 0.207 4.167 3.960 -0.000 0.000 0.236 55 G HA3 0.207 4.167 3.960 -0.000 0.000 0.236 55 G C -0.219 174.683 174.900 0.003 0.000 1.293 55 G CA -0.305 44.797 45.100 0.003 0.000 0.869 55 G HN 0.348 nan 8.290 nan 0.000 0.556 56 V N 1.812 121.728 119.914 0.002 0.000 2.637 56 V HA 0.104 4.224 4.120 -0.000 0.000 0.296 56 V C 0.476 176.569 176.094 -0.001 0.000 1.046 56 V CA -0.172 62.130 62.300 0.004 0.000 1.066 56 V CB 1.450 33.273 31.823 0.000 0.000 0.968 56 V HN 0.436 nan 8.190 nan 0.000 0.483 57 V N 4.505 124.423 119.914 0.006 0.000 2.313 57 V HA 0.289 4.409 4.120 -0.000 0.000 0.278 57 V C -0.107 175.991 176.094 0.008 0.000 1.017 57 V CA -0.502 61.795 62.300 -0.004 0.000 0.823 57 V CB 1.425 33.250 31.823 0.003 0.000 1.010 57 V HN 0.865 nan 8.190 nan 0.000 0.443 58 D N 4.051 124.450 120.400 -0.001 0.000 2.359 58 D HA 0.165 4.805 4.640 -0.000 0.000 0.230 58 D C 1.162 177.472 176.300 0.017 0.000 1.118 58 D CA -0.350 53.666 54.000 0.027 0.000 0.844 58 D CB 1.557 42.373 40.800 0.027 0.000 1.059 58 D HN 0.783 nan 8.370 nan 0.000 0.493 59 E N 2.169 122.401 120.200 0.054 0.000 2.502 59 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 59 E C 0.056 176.761 176.600 0.174 0.000 1.062 59 E CA 0.254 56.667 56.400 0.022 0.000 0.867 59 E CB 0.032 29.824 29.700 0.154 0.000 0.888 59 E HN 0.471 nan 8.360 nan 0.000 0.510 60 H N 0.430 119.537 119.070 0.062 0.000 2.423 60 H HA 0.382 4.938 4.556 -0.000 0.000 0.237 60 H C -1.590 173.712 175.328 -0.044 0.000 1.391 60 H CA -0.754 55.302 56.048 0.014 0.000 1.453 60 H CB 0.813 30.604 29.762 0.048 0.000 1.484 60 H HN -0.070 nan 8.280 nan 0.000 0.505 61 V N 3.910 123.885 119.914 0.102 0.000 2.604 61 V HA 0.195 4.315 4.120 -0.000 0.000 0.305 61 V C -0.217 175.847 176.094 -0.049 0.000 1.043 61 V CA -0.839 61.507 62.300 0.077 0.000 0.888 61 V CB 1.754 33.633 31.823 0.094 0.000 0.995 61 V HN 0.745 nan 8.190 nan 0.000 0.429 62 H N 5.116 124.341 119.070 0.259 0.000 2.340 62 H HA 0.423 4.979 4.556 -0.000 0.000 0.233 62 H C 0.845 176.291 175.328 0.196 0.000 1.435 62 H CA -0.218 55.936 56.048 0.177 0.000 1.389 62 H CB 1.059 30.889 29.762 0.113 0.000 1.491 62 H HN 0.562 nan 8.280 nan 0.000 0.518 63 I N 1.158 121.912 120.570 0.306 0.000 2.546 63 I HA -0.243 3.927 4.170 -0.000 0.000 0.255 63 I C 1.328 177.516 176.117 0.119 0.000 1.163 63 I CA 0.570 62.024 61.300 0.257 0.000 1.457 63 I CB 0.201 38.364 38.000 0.271 0.000 1.092 63 I HN 0.428 nan 8.210 nan 0.000 0.434 64 I N -1.352 119.282 120.570 0.106 0.000 4.781 64 I HA -0.543 3.627 4.170 -0.000 0.000 0.042 64 I C 1.067 177.114 176.117 -0.116 0.000 0.631 64 I CA 1.642 62.953 61.300 0.018 0.000 0.598 64 I CB -1.865 36.131 38.000 -0.006 0.000 0.578 64 I HN 0.400 nan 8.210 nan 0.000 0.154 65 D N -1.017 119.253 120.400 -0.216 0.000 3.245 65 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 65 D C 0.820 177.000 176.300 -0.200 0.000 1.370 65 D CA 2.663 56.416 54.000 -0.411 0.000 1.087 65 D CB -0.271 39.786 40.800 -1.240 0.000 0.612 65 D HN 0.562 nan 8.370 nan 0.000 0.704 66 M N -1.999 117.466 119.600 -0.225 0.000 7.319 66 M HA -0.252 4.228 4.480 -0.000 0.000 0.104 66 M C 1.006 177.309 176.300 0.006 0.000 0.480 66 M CA 2.123 57.385 55.300 -0.063 0.000 1.311 66 M CB -2.253 30.339 32.600 -0.012 0.000 0.421 66 M HN 0.693 nan 8.290 nan 0.000 0.175 67 D N 0.860 121.310 120.400 0.083 0.000 2.354 67 D HA 0.018 4.658 4.640 -0.000 0.000 0.216 67 D C 1.675 178.055 176.300 0.133 0.000 0.970 67 D CA 1.106 55.189 54.000 0.139 0.000 0.905 67 D CB -0.162 40.808 40.800 0.284 0.000 0.903 67 D HN 0.462 nan 8.370 nan 0.000 0.508 68 L N 0.344 121.652 121.223 0.141 0.000 2.818 68 L HA 0.170 4.510 4.340 -0.000 0.000 0.243 68 L C 2.024 178.971 176.870 0.127 0.000 1.185 68 L CA -0.232 54.719 54.840 0.186 0.000 0.988 68 L CB 0.105 42.378 42.059 0.356 0.000 1.292 68 L HN -0.031 nan 8.230 nan 0.000 0.519 69 K N -0.311 120.104 120.400 0.024 0.000 2.152 69 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 69 K C 1.009 177.579 176.600 -0.050 0.000 1.048 69 K CA 1.537 57.798 56.287 -0.044 0.000 0.933 69 K CB -0.174 32.261 32.500 -0.108 0.000 0.721 69 K HN 0.289 nan 8.250 nan 0.000 0.447 70 N N 0.692 119.365 118.700 -0.044 0.000 2.461 70 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 70 N C 1.362 176.805 175.510 -0.112 0.000 1.134 70 N CA 0.503 53.510 53.050 -0.072 0.000 0.878 70 N CB 0.392 38.850 38.487 -0.049 0.000 0.972 70 N HN 0.405 nan 8.380 nan 0.000 0.456 71 R N -1.158 119.254 120.500 -0.146 0.000 2.257 71 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 71 R C 0.841 176.888 176.300 -0.423 0.000 0.921 71 R CA 0.388 56.292 56.100 -0.325 0.000 1.069 71 R CB 0.348 30.356 30.300 -0.487 0.000 1.115 71 R HN 0.021 nan 8.270 nan 0.000 0.571 72 Y N -1.367 118.961 120.300 0.046 0.000 2.576 72 Y HA 0.516 5.066 4.550 -0.000 0.000 0.282 72 Y C 0.862 176.783 175.900 0.035 0.000 1.139 72 Y CA 0.422 58.578 58.100 0.094 0.000 1.265 72 Y CB 0.921 39.381 38.460 0.000 0.000 1.376 72 Y HN 0.101 nan 8.280 nan 0.000 0.511 73 G N 0.057 108.923 108.800 0.110 0.000 2.616 73 G HA2 0.551 4.511 3.960 -0.000 0.000 0.294 73 G HA3 0.551 4.511 3.960 -0.000 0.000 0.294 73 G C -1.792 173.062 174.900 -0.075 0.000 1.489 73 G CA -1.114 44.002 45.100 0.026 0.000 0.836 73 G HN -0.162 nan 8.290 nan 0.000 0.527 74 R N 1.087 121.543 120.500 -0.075 0.000 2.562 74 R HA 0.433 4.773 4.340 -0.000 0.000 0.298 74 R C 0.341 176.619 176.300 -0.037 0.000 0.961 74 R CA -0.943 55.081 56.100 -0.126 0.000 0.881 74 R CB 1.380 31.642 30.300 -0.064 0.000 1.159 74 R HN 0.413 nan 8.270 nan 0.000 0.450 75 F N 1.899 121.835 119.950 -0.023 0.000 2.091 75 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 75 F C 1.848 177.623 175.800 -0.041 0.000 1.103 75 F CA 1.740 59.708 58.000 -0.054 0.000 1.228 75 F CB -0.392 38.543 39.000 -0.107 0.000 0.984 75 F HN 0.534 nan 8.300 nan 0.000 0.477 76 E N -0.158 120.139 120.200 0.162 0.000 2.347 76 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 76 E C 2.038 178.673 176.600 0.058 0.000 1.008 76 E CA 0.732 57.185 56.400 0.089 0.000 0.852 76 E CB -0.532 29.206 29.700 0.063 0.000 0.783 76 E HN 0.384 nan 8.360 nan 0.000 0.505 77 L N 0.221 121.475 121.223 0.052 0.000 2.276 77 L HA 0.038 4.378 4.340 -0.000 0.000 0.194 77 L C 1.419 178.311 176.870 0.037 0.000 1.099 77 L CA 0.906 55.767 54.840 0.035 0.000 0.800 77 L CB -0.270 41.801 42.059 0.020 0.000 0.994 77 L HN -0.029 nan 8.230 nan 0.000 0.475 78 D N 0.325 120.758 120.400 0.054 0.000 2.178 78 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 78 D C 2.259 178.543 176.300 -0.026 0.000 0.980 78 D CA 1.520 55.541 54.000 0.035 0.000 0.842 78 D CB -0.089 40.784 40.800 0.121 0.000 0.948 78 D HN 0.254 nan 8.370 nan 0.000 0.472 79 S N 0.046 115.761 115.700 0.025 0.000 2.474 79 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 79 S C 1.633 176.227 174.600 -0.010 0.000 0.997 79 S CA 0.639 58.842 58.200 0.006 0.000 0.949 79 S CB -0.199 63.022 63.200 0.035 0.000 0.766 79 S HN 0.264 nan 8.310 nan 0.000 0.517 80 E N 1.038 121.234 120.200 -0.007 0.000 2.158 80 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 80 E C 2.038 178.611 176.600 -0.045 0.000 0.982 80 E CA 0.861 57.254 56.400 -0.013 0.000 0.823 80 E CB -0.166 29.534 29.700 0.001 0.000 0.766 80 E HN 0.561 nan 8.360 nan 0.000 0.468 81 S N 0.879 116.531 115.700 -0.080 0.000 2.368 81 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 81 S C 2.089 176.597 174.600 -0.152 0.000 1.030 81 S CA 0.972 59.083 58.200 -0.149 0.000 0.999 81 S CB -0.094 62.965 63.200 -0.234 0.000 0.844 81 S HN 0.361 nan 8.310 nan 0.000 0.459 82 A N 1.797 124.533 122.820 -0.140 0.000 1.858 82 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 82 A C 2.393 179.939 177.584 -0.063 0.000 1.190 82 A CA 1.863 53.833 52.037 -0.111 0.000 0.617 82 A CB -1.348 17.600 19.000 -0.086 0.000 0.827 82 A HN 0.522 nan 8.150 nan 0.000 0.443 83 A N -0.108 122.689 122.820 -0.039 0.000 1.903 83 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 83 A C 2.377 179.943 177.584 -0.029 0.000 1.191 83 A CA 2.938 54.963 52.037 -0.020 0.000 0.638 83 A CB -1.438 17.555 19.000 -0.012 0.000 0.823 83 A HN 1.295 nan 8.150 nan 0.000 0.451 84 V N -2.314 117.577 119.914 -0.038 0.000 2.667 84 V HA 0.113 4.233 4.120 -0.000 0.000 0.252 84 V C 2.098 178.170 176.094 -0.037 0.000 1.065 84 V CA 1.849 64.130 62.300 -0.031 0.000 1.083 84 V CB -1.309 30.499 31.823 -0.026 0.000 0.692 84 V HN 0.454 nan 8.190 nan 0.000 0.468 85 G N -0.279 108.485 108.800 -0.059 0.000 2.848 85 G HA2 0.344 4.304 3.960 -0.000 0.000 0.208 85 G HA3 0.344 4.304 3.960 -0.000 0.000 0.208 85 G C 1.334 176.210 174.900 -0.040 0.000 1.152 85 G CA 0.381 45.444 45.100 -0.062 0.000 0.789 85 G HN 1.593 nan 8.290 nan 0.000 0.531 86 G N -0.198 108.585 108.800 -0.028 0.000 2.159 86 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 86 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 86 G C 0.322 175.213 174.900 -0.014 0.000 0.977 86 G CA 0.135 45.226 45.100 -0.015 0.000 0.652 86 G HN 0.485 nan 8.290 nan 0.000 0.531 87 I N 2.511 123.067 120.570 -0.024 0.000 2.281 87 I HA 0.217 4.387 4.170 -0.000 0.000 0.293 87 I C 1.874 177.985 176.117 -0.010 0.000 1.085 87 I CA 0.351 61.638 61.300 -0.021 0.000 1.257 87 I CB 1.027 39.004 38.000 -0.038 0.000 1.430 87 I HN 0.253 nan 8.210 nan 0.000 0.489 88 T N 0.036 114.589 114.554 -0.002 0.000 3.054 88 T HA -0.003 4.347 4.350 -0.000 0.000 0.259 88 T C 0.820 175.521 174.700 0.001 0.000 1.092 88 T CA 0.366 62.472 62.100 0.011 0.000 1.121 88 T CB -0.011 68.865 68.868 0.013 0.000 0.912 88 T HN 0.593 nan 8.240 nan 0.000 0.489 89 T N 0.880 115.422 114.554 -0.019 0.000 2.952 89 T HA 0.646 4.996 4.350 -0.000 0.000 0.305 89 T C -0.746 173.929 174.700 -0.041 0.000 1.064 89 T CA -1.223 60.854 62.100 -0.038 0.000 1.008 89 T CB 1.561 70.377 68.868 -0.087 0.000 1.078 89 T HN 0.523 nan 8.240 nan 0.000 0.459 90 I N 1.090 121.645 120.570 -0.024 0.000 2.846 90 I HA 0.764 4.934 4.170 -0.000 0.000 0.307 90 I C -1.154 174.927 176.117 -0.059 0.000 1.053 90 I CA -1.845 59.440 61.300 -0.025 0.000 1.050 90 I CB 2.195 40.201 38.000 0.010 0.000 1.239 90 I HN 0.631 nan 8.210 nan 0.000 0.439 91 I N 2.994 123.510 120.570 -0.091 0.000 2.420 91 I HA 0.325 4.495 4.170 -0.000 0.000 0.282 91 I C -0.257 175.876 176.117 0.027 0.000 1.019 91 I CA -0.548 60.641 61.300 -0.184 0.000 1.130 91 I CB 1.425 39.095 38.000 -0.551 0.000 1.262 91 I HN 0.585 nan 8.210 nan 0.000 0.454 92 E N 6.510 126.766 120.200 0.093 0.000 2.324 92 E HA 0.237 4.587 4.350 -0.000 0.000 0.271 92 E C -0.046 176.714 176.600 0.267 0.000 1.028 92 E CA -0.129 56.369 56.400 0.162 0.000 0.890 92 E CB 0.980 30.779 29.700 0.165 0.000 1.004 92 E HN 0.426 nan 8.360 nan 0.000 0.431 93 M N 4.690 124.354 119.600 0.107 0.000 2.157 93 M HA 0.095 4.575 4.480 -0.000 0.000 0.304 93 M C -1.489 174.852 176.300 0.068 0.000 1.171 93 M CA -1.308 53.961 55.300 -0.051 0.000 1.157 93 M CB -0.140 32.278 32.600 -0.303 0.000 1.403 93 M HN 0.175 nan 8.290 nan 0.000 0.473 94 P HA 0.207 nan 4.420 nan 0.000 0.259 94 P C -0.366 176.954 177.300 0.033 0.000 1.530 94 P CA 0.269 63.441 63.100 0.119 0.000 1.022 94 P CB -0.059 31.802 31.700 0.267 0.000 1.514 95 I N 0.599 121.095 120.570 -0.123 0.000 2.294 95 I HA 0.317 4.487 4.170 -0.000 0.000 0.295 95 I C 0.727 176.837 176.117 -0.011 0.000 1.098 95 I CA 0.527 61.719 61.300 -0.179 0.000 1.277 95 I CB 0.027 37.856 38.000 -0.284 0.000 1.434 95 I HN -0.012 nan 8.210 nan 0.000 0.498 96 T N 5.869 120.470 114.554 0.079 0.000 2.658 96 T HA 0.508 4.858 4.350 -0.000 0.000 0.305 96 T C -1.980 172.825 174.700 0.175 0.000 1.551 96 T CA -0.451 61.693 62.100 0.073 0.000 0.985 96 T CB 1.187 70.090 68.868 0.059 0.000 1.731 96 T HN 0.189 nan 8.240 nan 0.000 0.486 97 F N 3.613 123.582 119.950 0.031 0.000 2.536 97 F HA 0.681 5.208 4.527 0.000 0.000 0.322 97 F C -2.360 173.468 175.800 0.047 0.000 1.144 97 F CA -2.019 56.012 58.000 0.052 0.000 0.924 97 F CB 2.114 41.142 39.000 0.047 0.000 1.181 97 F HN 0.290 nan 8.300 nan 0.000 0.438 98 P HA 0.218 nan 4.420 nan 0.000 0.272 98 P C -2.866 174.267 177.300 -0.278 0.000 1.223 98 P CA -1.508 61.013 63.100 -0.966 0.000 0.784 98 P CB 0.302 31.577 31.700 -0.707 0.000 0.923 99 P HA 0.072 nan 4.420 nan 0.000 0.268 99 P C 0.033 177.410 177.300 0.128 0.000 1.204 99 P CA 0.445 63.620 63.100 0.125 0.000 0.768 99 P CB -0.264 31.536 31.700 0.167 0.000 0.842 100 T N 1.290 115.979 114.554 0.225 0.000 4.313 100 T HA 0.122 4.472 4.350 -0.000 0.000 0.272 100 T C 0.913 175.789 174.700 0.294 0.000 1.298 100 T CA 0.206 62.452 62.100 0.244 0.000 1.124 100 T CB -1.147 67.885 68.868 0.274 0.000 1.352 100 T HN 0.466 nan 8.240 nan 0.000 1.013 101 T N -2.109 112.567 114.554 0.204 0.000 3.132 101 T HA 0.286 4.636 4.350 -0.000 0.000 0.274 101 T C 0.490 175.265 174.700 0.125 0.000 1.011 101 T CA -0.414 61.785 62.100 0.165 0.000 0.899 101 T CB 0.361 69.263 68.868 0.056 0.000 1.089 101 T HN 0.267 nan 8.240 nan 0.000 0.543 102 T N 1.521 116.160 114.554 0.141 0.000 2.903 102 T HA 0.463 4.813 4.350 -0.000 0.000 0.299 102 T C 0.616 175.405 174.700 0.148 0.000 1.093 102 T CA -0.692 61.474 62.100 0.109 0.000 1.002 102 T CB 2.216 71.125 68.868 0.069 0.000 1.127 102 T HN 0.004 nan 8.240 nan 0.000 0.488 103 L N 1.979 123.267 121.223 0.109 0.000 2.042 103 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 103 L C 1.802 178.772 176.870 0.166 0.000 1.076 103 L CA 2.132 57.046 54.840 0.123 0.000 0.749 103 L CB -0.531 41.570 42.059 0.069 0.000 0.893 103 L HN 0.640 nan 8.230 nan 0.000 0.432 104 D N -0.070 120.394 120.400 0.107 0.000 2.084 104 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 104 D C 2.165 178.518 176.300 0.088 0.000 0.990 104 D CA 1.689 55.737 54.000 0.080 0.000 0.826 104 D CB -0.266 40.561 40.800 0.044 0.000 0.971 104 D HN 0.494 nan 8.370 nan 0.000 0.453 105 A N 0.560 123.434 122.820 0.090 0.000 1.940 105 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 105 A C 2.106 179.757 177.584 0.112 0.000 1.176 105 A CA 1.166 53.246 52.037 0.073 0.000 0.631 105 A CB -0.977 18.062 19.000 0.065 0.000 0.814 105 A HN 0.248 nan 8.150 nan 0.000 0.446 106 F N 0.077 120.049 119.950 0.036 0.000 2.084 106 F HA -0.117 4.410 4.527 -0.000 0.000 0.296 106 F C 1.873 177.674 175.800 0.001 0.000 1.111 106 F CA 1.418 59.443 58.000 0.041 0.000 1.224 106 F CB -0.172 38.864 39.000 0.060 0.000 0.991 106 F HN 0.122 nan 8.300 nan 0.000 0.471 107 L N 0.595 121.908 121.223 0.151 0.000 2.079 107 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 107 L C 2.341 179.160 176.870 -0.085 0.000 1.081 107 L CA 1.754 56.599 54.840 0.010 0.000 0.752 107 L CB -1.614 40.484 42.059 0.065 0.000 0.896 107 L HN 0.243 nan 8.230 nan 0.000 0.433 108 E N 0.047 120.220 120.200 -0.044 0.000 2.072 108 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 108 E C 2.268 178.825 176.600 -0.071 0.000 0.982 108 E CA 1.275 57.648 56.400 -0.045 0.000 0.803 108 E CB -0.081 29.610 29.700 -0.015 0.000 0.755 108 E HN 0.301 nan 8.360 nan 0.000 0.453 109 K N 0.436 120.778 120.400 -0.097 0.000 2.097 109 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 109 K C 2.165 178.646 176.600 -0.198 0.000 1.049 109 K CA 1.520 57.756 56.287 -0.084 0.000 0.933 109 K CB -0.124 32.332 32.500 -0.074 0.000 0.717 109 K HN 0.014 nan 8.250 nan 0.000 0.442 110 K N 1.185 121.386 120.400 -0.331 0.000 2.057 110 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 110 K C 2.117 178.585 176.600 -0.219 0.000 1.049 110 K CA 1.581 57.661 56.287 -0.345 0.000 0.931 110 K CB -0.039 32.117 32.500 -0.573 0.000 0.714 110 K HN 0.018 nan 8.250 nan 0.000 0.440 111 K N 0.214 120.510 120.400 -0.174 0.000 2.002 111 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 111 K C 2.281 178.825 176.600 -0.093 0.000 1.048 111 K CA 1.541 57.763 56.287 -0.109 0.000 0.930 111 K CB 0.029 32.484 32.500 -0.075 0.000 0.714 111 K HN 0.190 nan 8.250 nan 0.000 0.438 112 Q N 0.093 119.851 119.800 -0.070 0.000 2.002 112 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 112 Q C 2.244 178.172 176.000 -0.120 0.000 0.988 112 Q CA 1.674 57.474 55.803 -0.006 0.000 0.843 112 Q CB -0.470 28.340 28.738 0.120 0.000 0.908 112 Q HN 0.442 nan 8.270 nan 0.000 0.420 113 A N 1.112 123.687 122.820 -0.407 0.000 1.917 113 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 113 A C 2.350 179.393 177.584 -0.901 0.000 1.182 113 A CA 2.059 53.379 52.037 -1.195 0.000 0.633 113 A CB -1.236 16.804 19.000 -1.600 0.000 0.819 113 A HN 0.507 nan 8.150 nan 0.000 0.448 114 G N -1.430 107.110 108.800 -0.433 0.000 2.443 114 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.219 114 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.219 114 G C 1.538 176.400 174.900 -0.063 0.000 1.131 114 G CA 0.935 46.000 45.100 -0.059 0.000 0.775 114 G HN 0.676 nan 8.290 nan 0.000 0.547 115 Q N -0.853 118.895 119.800 -0.088 0.000 2.354 115 Q HA 0.184 4.524 4.340 -0.000 0.000 0.203 115 Q C 2.328 178.320 176.000 -0.013 0.000 0.933 115 Q CA 0.345 56.131 55.803 -0.028 0.000 0.901 115 Q CB 0.315 29.047 28.738 -0.010 0.000 1.007 115 Q HN 0.350 nan 8.270 nan 0.000 0.495 116 R N -0.772 119.702 120.500 -0.043 0.000 2.394 116 R HA 0.259 4.599 4.340 -0.000 0.000 0.220 116 R C 0.081 176.382 176.300 0.001 0.000 0.887 116 R CA -0.180 55.934 56.100 0.023 0.000 1.034 116 R CB 0.728 31.104 30.300 0.126 0.000 1.179 116 R HN 0.078 nan 8.270 nan 0.000 0.561 117 L N 1.524 122.655 121.223 -0.153 0.000 2.439 117 L HA 0.073 4.413 4.340 -0.000 0.000 0.269 117 L C 1.155 178.036 176.870 0.019 0.000 1.179 117 L CA 0.485 55.239 54.840 -0.143 0.000 0.828 117 L CB 0.697 42.508 42.059 -0.413 0.000 1.106 117 L HN 0.008 nan 8.230 nan 0.000 0.467 118 K N 1.437 121.879 120.400 0.071 0.000 2.360 118 K HA 0.160 4.480 4.320 -0.000 0.000 0.196 118 K C -0.219 176.529 176.600 0.247 0.000 1.049 118 K CA 0.091 56.480 56.287 0.169 0.000 1.049 118 K CB 0.869 33.430 32.500 0.102 0.000 0.881 118 K HN 0.533 nan 8.250 nan 0.000 0.542 119 V N -1.486 118.519 119.914 0.152 0.000 3.113 119 V HA 0.440 4.560 4.120 -0.000 0.000 0.316 119 V C -0.557 175.615 176.094 0.130 0.000 1.125 119 V CA -1.249 61.139 62.300 0.148 0.000 1.026 119 V CB 1.708 33.579 31.823 0.080 0.000 1.080 119 V HN -0.157 nan 8.190 nan 0.000 0.444 120 D N 1.208 121.649 120.400 0.070 0.000 2.360 120 D HA 0.606 5.246 4.640 -0.000 0.000 0.242 120 D C -0.478 175.880 176.300 0.097 0.000 1.184 120 D CA 0.531 54.546 54.000 0.025 0.000 0.930 120 D CB 0.996 41.721 40.800 -0.124 0.000 1.161 120 D HN 0.713 nan 8.370 nan 0.000 0.447 121 F N -1.614 118.242 119.950 -0.157 0.000 2.668 121 F HA 0.787 5.314 4.527 0.000 0.000 0.309 121 F C -1.332 174.335 175.800 -0.221 0.000 1.117 121 F CA -1.385 56.512 58.000 -0.171 0.000 0.951 121 F CB 0.888 39.791 39.000 -0.162 0.000 1.323 121 F HN 0.317 nan 8.300 nan 0.000 0.451 122 A N 2.199 124.903 122.820 -0.194 0.000 2.430 122 A HA 0.928 5.248 4.320 -0.000 0.000 0.300 122 A C -1.828 175.708 177.584 -0.079 0.000 1.124 122 A CA -0.998 50.836 52.037 -0.338 0.000 0.766 122 A CB 1.724 20.453 19.000 -0.452 0.000 1.328 122 A HN 0.889 nan 8.150 nan 0.000 0.424 123 L N 0.458 121.682 121.223 0.002 0.000 2.381 123 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 123 L C -1.298 175.597 176.870 0.042 0.000 0.997 123 L CA -0.637 54.265 54.840 0.105 0.000 0.818 123 L CB 1.862 44.043 42.059 0.204 0.000 1.310 123 L HN 0.762 nan 8.230 nan 0.000 0.416 124 Y N 0.183 120.512 120.300 0.049 0.000 2.403 124 Y HA 0.639 5.189 4.550 -0.000 0.000 0.323 124 Y C 0.816 176.735 175.900 0.032 0.000 1.226 124 Y CA -0.129 57.934 58.100 -0.063 0.000 1.235 124 Y CB 1.882 40.311 38.460 -0.051 0.000 1.248 124 Y HN 0.548 nan 8.280 nan 0.000 0.489 125 G N -0.472 108.311 108.800 -0.029 0.000 2.537 125 G HA2 0.556 4.516 3.960 -0.000 0.000 0.323 125 G HA3 0.556 4.516 3.960 -0.000 0.000 0.323 125 G C -0.789 174.357 174.900 0.410 0.000 1.207 125 G CA -0.812 44.380 45.100 0.153 0.000 0.976 125 G HN 0.845 nan 8.290 nan 0.000 0.487 126 G N -1.530 107.575 108.800 0.508 0.000 2.400 126 G HA2 0.568 4.528 3.960 -0.000 0.000 0.333 126 G HA3 0.568 4.528 3.960 -0.000 0.000 0.333 126 G C -0.195 174.961 174.900 0.426 0.000 1.143 126 G CA -0.250 45.198 45.100 0.580 0.000 0.914 126 G HN 0.977 nan 8.290 nan 0.000 0.480 127 G N 0.295 109.315 108.800 0.366 0.000 2.788 127 G HA2 0.593 4.553 3.960 -0.000 0.000 0.327 127 G HA3 0.593 4.553 3.960 -0.000 0.000 0.327 127 G C -0.234 174.684 174.900 0.030 0.000 1.249 127 G CA -0.218 44.984 45.100 0.170 0.000 1.063 127 G HN 1.211 nan 8.290 nan 0.000 0.497 128 V N -0.162 119.687 119.914 -0.109 0.000 3.103 128 V HA 0.818 4.938 4.120 -0.000 0.000 0.318 128 V C -2.405 173.620 176.094 -0.115 0.000 1.114 128 V CA -3.126 59.045 62.300 -0.214 0.000 1.020 128 V CB 2.158 33.713 31.823 -0.446 0.000 1.085 128 V HN 0.414 nan 8.190 nan 0.000 0.446 129 P HA 0.233 nan 4.420 nan 0.000 0.264 129 P C 0.847 178.114 177.300 -0.056 0.000 1.193 129 P CA 1.669 64.732 63.100 -0.062 0.000 0.763 129 P CB 0.761 32.432 31.700 -0.049 0.000 0.810 130 G N 3.512 112.287 108.800 -0.041 0.000 2.176 130 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 130 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 130 G C 0.593 175.474 174.900 -0.032 0.000 0.979 130 G CA 0.302 45.382 45.100 -0.033 0.000 0.641 130 G HN 0.726 nan 8.290 nan 0.000 0.530 131 N N 0.459 119.136 118.700 -0.038 0.000 2.234 131 N HA 0.239 4.979 4.740 -0.000 0.000 0.227 131 N C 1.751 177.241 175.510 -0.034 0.000 1.151 131 N CA 0.325 53.359 53.050 -0.028 0.000 0.865 131 N CB 0.147 38.621 38.487 -0.021 0.000 1.066 131 N HN 0.328 nan 8.380 nan 0.000 0.515 132 L N 2.311 123.507 121.223 -0.045 0.000 2.054 132 L HA -0.107 4.233 4.340 -0.000 0.000 0.220 132 L C -0.748 176.080 176.870 -0.072 0.000 1.081 132 L CA 2.388 57.189 54.840 -0.066 0.000 0.780 132 L CB -1.376 40.648 42.059 -0.058 0.000 0.893 132 L HN 0.163 nan 8.230 nan 0.000 0.438 133 P HA -0.126 nan 4.420 nan 0.000 0.226 133 P C 1.020 178.301 177.300 -0.031 0.000 1.153 133 P CA 0.974 64.050 63.100 -0.040 0.000 0.777 133 P CB -0.022 31.663 31.700 -0.024 0.000 0.794 134 E N -0.036 120.151 120.200 -0.021 0.000 2.208 134 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 134 E C 2.184 178.788 176.600 0.008 0.000 0.988 134 E CA 0.364 56.769 56.400 0.008 0.000 0.828 134 E CB -0.566 29.155 29.700 0.036 0.000 0.763 134 E HN 0.380 nan 8.360 nan 0.000 0.478 135 I N 0.801 121.327 120.570 -0.073 0.000 2.163 135 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 135 I C 2.658 178.701 176.117 -0.124 0.000 1.085 135 I CA 1.023 62.180 61.300 -0.237 0.000 1.347 135 I CB -0.197 37.491 38.000 -0.520 0.000 1.044 135 I HN 0.001 nan 8.210 nan 0.000 0.408 136 R N 1.314 121.760 120.500 -0.091 0.000 2.091 136 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 136 R C 2.173 178.516 176.300 0.070 0.000 1.136 136 R CA 1.548 57.643 56.100 -0.008 0.000 0.959 136 R CB -0.331 29.953 30.300 -0.027 0.000 0.856 136 R HN 0.430 nan 8.270 nan 0.000 0.437 137 K N -0.335 120.086 120.400 0.034 0.000 2.026 137 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 137 K C 2.272 178.867 176.600 -0.009 0.000 1.048 137 K CA 1.650 57.951 56.287 0.024 0.000 0.929 137 K CB -0.150 32.360 32.500 0.016 0.000 0.713 137 K HN 0.160 nan 8.250 nan 0.000 0.439 138 M N -0.245 119.344 119.600 -0.018 0.000 2.175 138 M HA -0.156 4.323 4.480 -0.000 0.000 0.264 138 M C 2.266 178.464 176.300 -0.170 0.000 1.063 138 M CA 1.445 56.577 55.300 -0.280 0.000 1.119 138 M CB -0.439 32.027 32.600 -0.224 0.000 1.377 138 M HN 0.254 nan 8.290 nan 0.000 0.415 139 H N 1.028 120.164 119.070 0.110 0.000 2.290 139 H HA -0.182 4.374 4.556 -0.000 0.000 0.298 139 H C 1.466 176.816 175.328 0.037 0.000 1.087 139 H CA 2.177 58.313 56.048 0.147 0.000 1.291 139 H CB -0.160 29.703 29.762 0.169 0.000 1.369 139 H HN 0.263 nan 8.280 nan 0.000 0.492 140 D N -0.144 120.238 120.400 -0.029 0.000 2.263 140 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 140 D C 1.691 177.953 176.300 -0.064 0.000 0.971 140 D CA 1.131 55.087 54.000 -0.073 0.000 0.867 140 D CB -0.325 40.485 40.800 0.017 0.000 0.929 140 D HN 0.576 nan 8.370 nan 0.000 0.492 141 A N -0.481 122.297 122.820 -0.071 0.000 2.251 141 A HA 0.443 4.763 4.320 -0.000 0.000 0.209 141 A C 1.692 179.360 177.584 0.140 0.000 1.187 141 A CA 0.960 53.006 52.037 0.015 0.000 0.823 141 A CB 0.144 19.155 19.000 0.019 0.000 0.846 141 A HN 0.240 nan 8.150 nan 0.000 0.486 142 G N -2.135 106.695 108.800 0.051 0.000 2.192 142 G HA2 0.170 4.130 3.960 -0.000 0.000 0.193 142 G HA3 0.170 4.130 3.960 -0.000 0.000 0.193 142 G C 0.423 175.464 174.900 0.235 0.000 0.999 142 G CA -0.020 45.215 45.100 0.224 0.000 0.659 142 G HN 1.489 nan 8.290 nan 0.000 0.503 143 A N 0.476 123.312 122.820 0.026 0.000 2.540 143 A HA 0.578 4.898 4.320 -0.000 0.000 0.239 143 A C 1.835 179.378 177.584 -0.068 0.000 1.061 143 A CA 0.872 52.891 52.037 -0.031 0.000 0.758 143 A CB 0.548 19.271 19.000 -0.462 0.000 0.991 143 A HN 1.574 nan 8.150 nan 0.000 0.502 144 V N 1.144 120.984 119.914 -0.123 0.000 2.878 144 V HA 0.506 4.626 4.120 -0.000 0.000 0.250 144 V C 0.974 177.125 176.094 0.095 0.000 1.075 144 V CA 1.112 63.384 62.300 -0.048 0.000 1.096 144 V CB -1.316 30.409 31.823 -0.164 0.000 0.724 144 V HN 1.446 nan 8.190 nan 0.000 0.467 145 G N -1.245 107.493 108.800 -0.103 0.000 2.554 145 G HA2 0.625 4.585 3.960 -0.000 0.000 0.306 145 G HA3 0.625 4.585 3.960 -0.000 0.000 0.306 145 G C -1.770 173.000 174.900 -0.218 0.000 1.320 145 G CA -0.649 44.529 45.100 0.131 0.000 0.800 145 G HN 0.082 nan 8.290 nan 0.000 0.481 149 M N 2.539 122.314 119.600 0.291 0.000 2.456 149 M HA 0.479 4.959 4.480 -0.000 0.000 0.324 149 M C 0.168 176.567 176.300 0.164 0.000 1.124 149 M CA -0.473 54.966 55.300 0.232 0.000 0.959 149 M CB 1.658 34.379 32.600 0.201 0.000 1.692 149 M HN 0.679 nan 8.290 nan 0.000 0.444 150 M N 1.030 120.732 119.600 0.169 0.000 2.465 150 M HA 0.325 4.805 4.480 -0.000 0.000 0.249 150 M C 0.197 176.553 176.300 0.093 0.000 1.130 150 M CA 0.214 55.586 55.300 0.120 0.000 1.067 150 M CB 0.617 33.295 32.600 0.131 0.000 1.394 150 M HN 0.733 nan 8.290 nan 0.000 0.483 151 A N 0.560 123.429 122.820 0.081 0.000 2.402 151 A HA 0.807 5.127 4.320 -0.000 0.000 0.291 151 A C -0.317 177.230 177.584 -0.061 0.000 1.051 151 A CA -0.851 51.199 52.037 0.022 0.000 0.716 151 A CB 0.654 19.685 19.000 0.052 0.000 1.223 151 A HN 0.249 nan 8.150 nan 0.000 0.425 152 A N 1.263 124.075 122.820 -0.014 0.000 2.281 152 A HA 0.733 5.053 4.320 -0.000 0.000 0.271 152 A C 1.181 178.738 177.584 -0.044 0.000 1.196 152 A CA 0.734 52.771 52.037 0.000 0.000 0.807 152 A CB 0.507 19.530 19.000 0.039 0.000 1.138 152 A HN 1.890 nan 8.150 nan 0.000 0.506 153 S N -3.423 112.273 115.700 -0.006 0.000 2.462 153 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 153 S C -0.289 174.327 174.600 0.026 0.000 1.005 153 S CA 0.663 58.856 58.200 -0.010 0.000 1.260 153 S CB -0.089 63.078 63.200 -0.055 0.000 0.990 153 S HN 1.818 nan 8.310 nan 0.000 0.477 154 V N 1.274 121.217 119.914 0.047 0.000 2.405 154 V HA 0.624 4.744 4.120 -0.000 0.000 0.253 154 V C -3.199 172.947 176.094 0.087 0.000 0.963 154 V CA -2.309 60.028 62.300 0.062 0.000 1.003 154 V CB -0.068 31.784 31.823 0.048 0.000 1.251 154 V HN 0.039 nan 8.190 nan 0.000 0.520 155 P HA 0.324 nan 4.420 nan 0.000 0.265 155 P C 1.328 178.663 177.300 0.058 0.000 1.187 155 P CA 2.229 65.363 63.100 0.057 0.000 0.766 155 P CB 0.942 32.664 31.700 0.037 0.000 0.820 156 G N 1.968 110.801 108.800 0.055 0.000 2.579 156 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.222 156 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.222 156 G C 1.045 176.004 174.900 0.100 0.000 1.201 156 G CA 0.573 45.708 45.100 0.058 0.000 0.710 156 G HN 0.543 nan 8.290 nan 0.000 0.516 157 M N -0.795 118.886 119.600 0.135 0.000 2.115 157 M HA 0.562 5.042 4.480 -0.000 0.000 0.261 157 M C 0.374 176.819 176.300 0.241 0.000 1.079 157 M CA 1.343 56.779 55.300 0.228 0.000 1.143 157 M CB 0.279 33.011 32.600 0.220 0.000 1.332 157 M HN 0.274 nan 8.290 nan 0.000 0.421 158 F N 1.368 121.359 119.950 0.067 0.000 2.553 158 F HA 0.320 4.847 4.527 -0.000 0.000 0.335 158 F C -1.294 174.529 175.800 0.038 0.000 1.148 158 F CA -1.189 56.845 58.000 0.056 0.000 0.963 158 F CB 0.911 39.940 39.000 0.049 0.000 1.217 158 F HN 0.157 nan 8.300 nan 0.000 0.441 159 D N 3.510 123.859 120.400 -0.084 0.000 2.277 159 D HA 0.619 5.259 4.640 -0.000 0.000 0.250 159 D C -0.484 175.827 176.300 0.017 0.000 1.032 159 D CA -0.505 53.490 54.000 -0.009 0.000 0.947 159 D CB 1.389 42.163 40.800 -0.044 0.000 1.159 159 D HN 0.594 nan 8.370 nan 0.000 0.460 160 A N 0.593 123.441 122.820 0.047 0.000 2.332 160 A HA 0.538 4.858 4.320 -0.000 0.000 0.258 160 A C 0.080 177.678 177.584 0.022 0.000 1.087 160 A CA -0.610 51.462 52.037 0.059 0.000 0.802 160 A CB 0.310 19.340 19.000 0.051 0.000 1.042 160 A HN 0.500 nan 8.150 nan 0.000 0.489 161 V N 0.050 119.981 119.914 0.028 0.000 2.850 161 V HA 0.780 4.900 4.120 -0.000 0.000 0.315 161 V C 0.435 176.527 176.094 -0.002 0.000 1.064 161 V CA -0.166 62.135 62.300 0.002 0.000 0.979 161 V CB 1.029 32.849 31.823 -0.004 0.000 1.039 161 V HN 1.215 nan 8.190 nan 0.000 0.452 162 S N 0.764 116.457 115.700 -0.012 0.000 2.681 162 S HA 0.291 4.761 4.470 -0.000 0.000 0.270 162 S C 0.565 175.148 174.600 -0.028 0.000 1.209 162 S CA -0.140 58.052 58.200 -0.014 0.000 0.988 162 S CB 0.965 64.158 63.200 -0.013 0.000 1.006 162 S HN 0.770 nan 8.310 nan 0.000 0.558 163 D N 1.179 121.560 120.400 -0.031 0.000 2.149 163 D HA -0.028 4.612 4.640 -0.000 0.000 0.198 163 D C 2.039 178.321 176.300 -0.030 0.000 0.990 163 D CA 1.694 55.664 54.000 -0.049 0.000 0.839 163 D CB -1.034 39.736 40.800 -0.050 0.000 0.948 163 D HN 0.756 nan 8.370 nan 0.000 0.460 164 G N 0.982 109.774 108.800 -0.012 0.000 2.404 164 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 164 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 164 G C 1.494 176.424 174.900 0.049 0.000 1.174 164 G CA 0.466 45.585 45.100 0.032 0.000 0.780 164 G HN 0.306 nan 8.290 nan 0.000 0.537 165 E N -0.056 120.144 120.200 0.001 0.000 2.072 165 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 165 E C 2.398 178.966 176.600 -0.052 0.000 0.985 165 E CA 0.697 57.087 56.400 -0.017 0.000 0.801 165 E CB -0.220 29.466 29.700 -0.024 0.000 0.750 165 E HN 0.330 nan 8.360 nan 0.000 0.452 166 L N 0.774 121.941 121.223 -0.094 0.000 2.046 166 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 166 L C 2.148 178.777 176.870 -0.401 0.000 1.077 166 L CA 1.516 56.210 54.840 -0.243 0.000 0.747 166 L CB -0.529 41.354 42.059 -0.294 0.000 0.896 166 L HN 0.045 nan 8.230 nan 0.000 0.432 167 F N 0.614 120.344 119.950 -0.366 0.000 2.134 167 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 167 F C 2.329 178.070 175.800 -0.098 0.000 1.097 167 F CA 1.891 59.730 58.000 -0.269 0.000 1.264 167 F CB -0.250 38.663 39.000 -0.145 0.000 1.001 167 F HN 0.246 nan 8.300 nan 0.000 0.479 168 E N 0.231 120.360 120.200 -0.119 0.000 2.150 168 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 168 E C 2.386 178.891 176.600 -0.159 0.000 0.985 168 E CA 1.501 57.803 56.400 -0.163 0.000 0.814 168 E CB -0.228 29.444 29.700 -0.047 0.000 0.752 168 E HN 0.483 nan 8.360 nan 0.000 0.466 169 I N 0.470 120.979 120.570 -0.102 0.000 2.252 169 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 169 I C 2.038 178.195 176.117 0.067 0.000 1.102 169 I CA 0.762 62.042 61.300 -0.033 0.000 1.385 169 I CB -0.203 37.811 38.000 0.023 0.000 1.064 169 I HN 0.035 nan 8.210 nan 0.000 0.414 170 F N 1.546 121.390 119.950 -0.177 0.000 2.126 170 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 170 F C 2.709 178.356 175.800 -0.255 0.000 1.096 170 F CA 1.359 59.249 58.000 -0.183 0.000 1.255 170 F CB -1.142 37.754 39.000 -0.174 0.000 0.997 170 F HN 0.179 nan 8.300 nan 0.000 0.479 171 Q N -0.475 119.213 119.800 -0.186 0.000 2.084 171 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 171 Q C 2.164 178.069 176.000 -0.158 0.000 0.978 171 Q CA 1.302 56.967 55.803 -0.231 0.000 0.844 171 Q CB -0.248 28.290 28.738 -0.334 0.000 0.898 171 Q HN 0.289 nan 8.270 nan 0.000 0.426 172 E N 0.655 120.763 120.200 -0.153 0.000 2.051 172 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 172 E C 2.047 178.535 176.600 -0.187 0.000 0.991 172 E CA 0.812 57.113 56.400 -0.165 0.000 0.799 172 E CB -0.098 29.491 29.700 -0.186 0.000 0.748 172 E HN 0.297 nan 8.360 nan 0.000 0.449 173 I N 1.022 121.491 120.570 -0.168 0.000 2.208 173 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 173 I C 2.388 178.420 176.117 -0.141 0.000 1.097 173 I CA 1.219 62.425 61.300 -0.155 0.000 1.363 173 I CB -1.505 36.449 38.000 -0.077 0.000 1.051 173 I HN -0.040 nan 8.210 nan 0.000 0.413 174 A N 0.768 123.512 122.820 -0.127 0.000 1.902 174 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 174 A C 2.537 180.054 177.584 -0.110 0.000 1.181 174 A CA 1.841 53.811 52.037 -0.113 0.000 0.623 174 A CB -0.730 18.209 19.000 -0.102 0.000 0.818 174 A HN 0.414 nan 8.150 nan 0.000 0.443 175 A N -1.485 121.262 122.820 -0.121 0.000 2.015 175 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 175 A C 2.074 179.573 177.584 -0.141 0.000 1.163 175 A CA 1.579 53.549 52.037 -0.112 0.000 0.646 175 A CB -0.916 18.021 19.000 -0.105 0.000 0.806 175 A HN 0.592 nan 8.150 nan 0.000 0.448 176 C N -1.804 117.363 119.300 -0.221 0.000 2.563 176 C HA 0.432 4.892 4.460 -0.000 0.000 0.268 176 C C 1.930 176.729 174.990 -0.319 0.000 1.365 176 C CA 0.211 58.994 59.018 -0.391 0.000 1.754 176 C CB -0.890 26.433 27.740 -0.695 0.000 1.932 176 C HN 1.059 nan 8.230 nan 0.000 0.536 177 G N 1.450 110.147 108.800 -0.171 0.000 2.198 177 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 177 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 177 G C 0.264 175.148 174.900 -0.026 0.000 1.042 177 G CA 0.607 45.662 45.100 -0.074 0.000 0.791 177 G HN 0.561 nan 8.290 nan 0.000 0.502 178 S N -2.111 113.563 115.700 -0.044 0.000 2.521 178 S HA 0.830 5.300 4.470 -0.000 0.000 0.278 178 S C 0.413 175.053 174.600 0.067 0.000 1.140 178 S CA 0.238 58.500 58.200 0.104 0.000 1.028 178 S CB 1.489 64.835 63.200 0.243 0.000 1.203 178 S HN 0.944 nan 8.310 nan 0.000 0.491 179 V N 1.402 121.407 119.914 0.152 0.000 2.789 179 V HA 0.649 4.769 4.120 -0.000 0.000 0.311 179 V C -0.988 175.229 176.094 0.204 0.000 1.073 179 V CA -0.700 61.628 62.300 0.045 0.000 0.921 179 V CB 1.580 33.306 31.823 -0.161 0.000 1.009 179 V HN 0.741 nan 8.190 nan 0.000 0.426 180 I N 5.057 125.688 120.570 0.101 0.000 2.465 180 I HA 0.766 4.936 4.170 -0.000 0.000 0.291 180 I C -0.495 175.704 176.117 0.137 0.000 1.014 180 I CA -0.407 61.004 61.300 0.185 0.000 1.093 180 I CB 1.898 39.963 38.000 0.108 0.000 1.267 180 I HN 0.535 nan 8.210 nan 0.000 0.431 181 V N 6.842 126.876 119.914 0.200 0.000 2.715 181 V HA 0.954 5.073 4.120 -0.000 0.000 0.310 181 V C -0.734 175.432 176.094 0.120 0.000 1.054 181 V CA -0.489 61.884 62.300 0.122 0.000 0.928 181 V CB 1.389 33.274 31.823 0.104 0.000 1.007 181 V HN 0.865 nan 8.190 nan 0.000 0.437 182 V N 1.110 121.089 119.914 0.107 0.000 3.078 182 V HA 0.656 4.776 4.120 -0.000 0.000 0.311 182 V C -0.723 175.454 176.094 0.138 0.000 1.138 182 V CA -0.682 61.716 62.300 0.163 0.000 1.007 182 V CB 1.666 33.631 31.823 0.237 0.000 1.045 182 V HN 1.285 nan 8.190 nan 0.000 0.432 183 H N 2.595 121.738 119.070 0.122 0.000 2.597 183 H HA 0.776 5.332 4.556 -0.000 0.000 0.303 183 H C 0.073 175.516 175.328 0.192 0.000 1.057 183 H CA 0.150 56.328 56.048 0.216 0.000 1.261 183 H CB 1.126 31.044 29.762 0.261 0.000 1.397 183 H HN 1.221 nan 8.280 nan 0.000 0.461 184 A N 5.651 128.574 122.820 0.173 0.000 2.366 184 A HA 0.367 4.687 4.320 -0.000 0.000 0.322 184 A C -0.458 177.208 177.584 0.137 0.000 1.397 184 A CA -0.458 51.677 52.037 0.163 0.000 0.984 184 A CB 0.160 19.221 19.000 0.102 0.000 1.149 184 A HN 0.890 nan 8.150 nan 0.000 0.540 185 E N 1.105 121.423 120.200 0.197 0.000 2.433 185 E HA 0.209 4.559 4.350 -0.000 0.000 0.278 185 E C -1.299 175.345 176.600 0.073 0.000 0.976 185 E CA -1.007 55.462 56.400 0.114 0.000 0.793 185 E CB 1.660 31.465 29.700 0.175 0.000 1.311 185 E HN 0.558 nan 8.360 nan 0.000 0.460 186 N N 1.985 120.689 118.700 0.007 0.000 2.500 186 N HA 0.006 4.746 4.740 -0.000 0.000 0.236 186 N C 0.482 175.993 175.510 0.001 0.000 1.022 186 N CA 0.286 53.337 53.050 0.001 0.000 0.935 186 N CB 1.164 39.634 38.487 -0.029 0.000 1.147 186 N HN 0.660 nan 8.380 nan 0.000 0.512 187 E N 2.267 122.479 120.200 0.020 0.000 2.049 187 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 187 E C 0.903 177.507 176.600 0.006 0.000 1.007 187 E CA 1.903 58.313 56.400 0.016 0.000 0.809 187 E CB 0.110 29.822 29.700 0.020 0.000 0.749 187 E HN 0.518 nan 8.360 nan 0.000 0.450 188 T N 0.170 114.727 114.554 0.006 0.000 2.788 188 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 188 T C 1.749 176.452 174.700 0.004 0.000 1.044 188 T CA 1.293 63.397 62.100 0.005 0.000 1.139 188 T CB -0.160 68.714 68.868 0.010 0.000 0.867 188 T HN 0.191 nan 8.240 nan 0.000 0.454 189 I N 0.185 120.755 120.570 0.000 0.000 2.406 189 I HA -0.045 4.125 4.170 -0.000 0.000 0.249 189 I C 2.088 178.193 176.117 -0.020 0.000 1.122 189 I CA 0.901 62.202 61.300 0.002 0.000 1.431 189 I CB -0.209 37.780 38.000 -0.019 0.000 1.087 189 I HN 0.231 nan 8.210 nan 0.000 0.424 190 I N 0.455 121.004 120.570 -0.035 0.000 2.208 190 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 190 I C 2.566 178.675 176.117 -0.014 0.000 1.097 190 I CA 1.551 62.835 61.300 -0.027 0.000 1.363 190 I CB -0.413 37.582 38.000 -0.008 0.000 1.051 190 I HN 0.320 nan 8.210 nan 0.000 0.413 191 Q N 0.559 120.350 119.800 -0.014 0.000 2.061 191 Q HA -0.219 4.120 4.340 -0.000 0.000 0.204 191 Q C 2.490 178.466 176.000 -0.039 0.000 0.984 191 Q CA 1.900 57.685 55.803 -0.029 0.000 0.846 191 Q CB -0.332 28.393 28.738 -0.021 0.000 0.902 191 Q HN 0.591 nan 8.270 nan 0.000 0.421 192 A N 0.979 123.788 122.820 -0.018 0.000 1.883 192 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 192 A C 2.097 179.672 177.584 -0.013 0.000 1.186 192 A CA 1.271 53.301 52.037 -0.011 0.000 0.624 192 A CB -0.791 18.217 19.000 0.013 0.000 0.822 192 A HN 0.298 nan 8.150 nan 0.000 0.444 193 L N -1.066 120.158 121.223 0.001 0.000 2.083 193 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 193 L C 2.894 179.748 176.870 -0.026 0.000 1.083 193 L CA 1.537 56.385 54.840 0.013 0.000 0.752 193 L CB -0.607 41.472 42.059 0.033 0.000 0.899 193 L HN 0.503 nan 8.230 nan 0.000 0.433 194 Q N 0.045 119.800 119.800 -0.075 0.000 2.061 194 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 194 Q C 2.279 178.111 176.000 -0.280 0.000 0.984 194 Q CA 1.648 57.314 55.803 -0.229 0.000 0.846 194 Q CB 0.018 28.594 28.738 -0.270 0.000 0.902 194 Q HN 0.444 nan 8.270 nan 0.000 0.421 195 K N 0.286 120.580 120.400 -0.178 0.000 2.026 195 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 195 K C 2.167 178.705 176.600 -0.105 0.000 1.048 195 K CA 1.429 57.626 56.287 -0.150 0.000 0.929 195 K CB -0.107 32.335 32.500 -0.096 0.000 0.713 195 K HN 0.298 nan 8.250 nan 0.000 0.439 196 Q N 0.630 120.395 119.800 -0.060 0.000 2.030 196 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 196 Q C 2.275 178.267 176.000 -0.014 0.000 0.986 196 Q CA 1.439 57.228 55.803 -0.024 0.000 0.843 196 Q CB -0.272 28.468 28.738 0.004 0.000 0.904 196 Q HN 0.339 nan 8.270 nan 0.000 0.420 197 I N 0.741 121.308 120.570 -0.005 0.000 2.226 197 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 197 I C 2.389 178.532 176.117 0.045 0.000 1.100 197 I CA 1.202 62.537 61.300 0.059 0.000 1.374 197 I CB -0.180 37.913 38.000 0.156 0.000 1.057 197 I HN 0.161 nan 8.210 nan 0.000 0.413 198 K N 0.714 121.046 120.400 -0.114 0.000 2.057 198 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 198 K C 2.262 178.831 176.600 -0.052 0.000 1.049 198 K CA 1.444 57.638 56.287 -0.154 0.000 0.931 198 K CB -0.222 32.026 32.500 -0.420 0.000 0.714 198 K HN 0.299 nan 8.250 nan 0.000 0.440 199 A N 1.267 124.051 122.820 -0.059 0.000 1.940 199 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 199 A C 2.147 179.734 177.584 0.004 0.000 1.176 199 A CA 1.937 53.957 52.037 -0.028 0.000 0.631 199 A CB -0.586 18.396 19.000 -0.030 0.000 0.814 199 A HN 0.359 nan 8.150 nan 0.000 0.446 200 A N -1.454 121.378 122.820 0.021 0.000 2.252 200 A HA 0.405 4.725 4.320 -0.000 0.000 0.207 200 A C 1.654 179.272 177.584 0.056 0.000 1.194 200 A CA 1.111 53.170 52.037 0.037 0.000 0.809 200 A CB -1.280 17.746 19.000 0.045 0.000 0.814 200 A HN 1.982 nan 8.150 nan 0.000 0.482 201 G N -1.371 107.467 108.800 0.064 0.000 2.198 201 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.257 201 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.257 201 G C 0.523 175.505 174.900 0.137 0.000 1.042 201 G CA 0.182 45.335 45.100 0.089 0.000 0.791 201 G HN 1.391 nan 8.290 nan 0.000 0.502 202 G N -0.731 108.189 108.800 0.199 0.000 2.353 202 G HA2 0.572 4.532 3.960 -0.000 0.000 0.284 202 G HA3 0.572 4.532 3.960 -0.000 0.000 0.284 202 G C 0.486 175.615 174.900 0.382 0.000 1.172 202 G CA -0.312 44.935 45.100 0.246 0.000 0.854 202 G HN 0.380 nan 8.290 nan 0.000 0.485 203 K N 1.387 121.886 120.400 0.165 0.000 2.553 203 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 203 K C -0.202 176.285 176.600 -0.190 0.000 1.168 203 K CA -0.481 55.812 56.287 0.010 0.000 1.043 203 K CB 0.785 33.325 32.500 0.067 0.000 0.967 203 K HN 0.460 nan 8.250 nan 0.000 0.585 204 D N 0.759 121.090 120.400 -0.116 0.000 2.372 204 D HA 0.033 4.673 4.640 -0.000 0.000 0.243 204 D C 1.212 177.391 176.300 -0.201 0.000 1.297 204 D CA 0.276 54.206 54.000 -0.116 0.000 0.958 204 D CB 0.734 41.511 40.800 -0.037 0.000 1.114 204 D HN -0.157 nan 8.370 nan 0.000 0.496 205 M N 0.228 119.750 119.600 -0.130 0.000 2.394 205 M HA 0.026 4.506 4.480 -0.000 0.000 0.266 205 M C 1.833 178.120 176.300 -0.022 0.000 1.098 205 M CA 0.648 55.882 55.300 -0.110 0.000 1.149 205 M CB -0.984 31.558 32.600 -0.097 0.000 1.369 205 M HN 0.433 nan 8.290 nan 0.000 0.450 206 A N 0.170 122.977 122.820 -0.022 0.000 1.902 206 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 206 A C 2.331 179.920 177.584 0.009 0.000 1.181 206 A CA 2.076 54.115 52.037 0.002 0.000 0.623 206 A CB -0.917 18.091 19.000 0.012 0.000 0.818 206 A HN 0.458 nan 8.150 nan 0.000 0.443 207 A N -1.386 121.438 122.820 0.006 0.000 1.933 207 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 207 A C 2.125 179.755 177.584 0.078 0.000 1.175 207 A CA 1.759 53.841 52.037 0.074 0.000 0.628 207 A CB -0.793 18.276 19.000 0.115 0.000 0.814 207 A HN 0.774 nan 8.150 nan 0.000 0.444 208 Y N 0.595 120.752 120.300 -0.238 0.000 2.089 208 Y HA -0.201 4.349 4.550 -0.000 0.000 0.282 208 Y C 2.374 178.252 175.900 -0.037 0.000 1.139 208 Y CA 2.147 60.093 58.100 -0.257 0.000 1.123 208 Y CB -0.492 37.730 38.460 -0.397 0.000 0.980 208 Y HN 0.390 nan 8.280 nan 0.000 0.493 209 E N 0.737 120.753 120.200 -0.307 0.000 2.114 209 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 209 E C 2.202 178.679 176.600 -0.205 0.000 1.008 209 E CA 1.568 57.776 56.400 -0.320 0.000 0.810 209 E CB -0.462 29.176 29.700 -0.102 0.000 0.739 209 E HN 0.586 nan 8.360 nan 0.000 0.456 210 A N 0.649 123.422 122.820 -0.077 0.000 2.067 210 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 210 A C 2.288 179.874 177.584 0.003 0.000 1.158 210 A CA 1.830 53.863 52.037 -0.006 0.000 0.661 210 A CB -0.520 18.509 19.000 0.049 0.000 0.801 210 A HN 0.406 nan 8.150 nan 0.000 0.452 211 S N -1.126 114.581 115.700 0.011 0.000 2.489 211 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 211 S C 0.842 175.407 174.600 -0.059 0.000 0.995 211 S CA 0.631 58.864 58.200 0.056 0.000 0.934 211 S CB -0.122 63.242 63.200 0.273 0.000 0.771 211 S HN 0.637 nan 8.310 nan 0.000 0.522 212 Q N 1.914 121.609 119.800 -0.174 0.000 3.048 212 Q HA 0.349 4.688 4.340 -0.000 0.000 0.337 212 Q C -2.791 173.082 176.000 -0.212 0.000 0.845 212 Q CA -1.991 53.691 55.803 -0.201 0.000 0.942 212 Q CB 1.561 30.163 28.738 -0.226 0.000 1.454 212 Q HN 0.431 nan 8.270 nan 0.000 0.392 213 P HA -0.092 nan 4.420 nan 0.000 0.271 213 P C 1.258 178.455 177.300 -0.172 0.000 1.238 213 P CA 0.047 63.065 63.100 -0.136 0.000 0.794 213 P CB 1.002 32.690 31.700 -0.019 0.000 0.959 214 V N -0.822 119.060 119.914 -0.053 0.000 2.427 214 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 214 V C 2.276 178.360 176.094 -0.017 0.000 1.051 214 V CA 2.052 64.330 62.300 -0.036 0.000 1.048 214 V CB -2.177 29.656 31.823 0.017 0.000 0.666 214 V HN 0.516 nan 8.190 nan 0.000 0.456 215 F N 3.696 123.642 119.950 -0.008 0.000 2.202 215 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 215 F C 2.160 177.962 175.800 0.002 0.000 1.082 215 F CA 1.897 59.896 58.000 -0.002 0.000 1.313 215 F CB -1.131 37.869 39.000 -0.000 0.000 1.024 215 F HN 0.432 nan 8.300 nan 0.000 0.495 216 Q N 0.763 120.056 119.800 -0.845 0.000 2.212 216 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 216 Q C 2.029 177.900 176.000 -0.216 0.000 0.950 216 Q CA 1.574 57.033 55.803 -0.574 0.000 0.863 216 Q CB -0.989 27.330 28.738 -0.698 0.000 0.944 216 Q HN 0.728 nan 8.270 nan 0.000 0.465 217 E N 1.150 121.242 120.200 -0.179 0.000 2.072 217 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 217 E C 1.409 177.987 176.600 -0.037 0.000 0.985 217 E CA 1.353 57.701 56.400 -0.087 0.000 0.801 217 E CB -0.163 29.481 29.700 -0.094 0.000 0.750 217 E HN 0.649 nan 8.360 nan 0.000 0.452 218 N N 0.215 118.903 118.700 -0.021 0.000 2.309 218 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 218 N C 1.863 177.398 175.510 0.040 0.000 1.018 218 N CA 0.570 53.631 53.050 0.019 0.000 0.876 218 N CB 0.003 38.516 38.487 0.042 0.000 0.972 218 N HN 0.177 nan 8.380 nan 0.000 0.434 219 E N 1.841 122.069 120.200 0.047 0.000 2.072 219 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 219 E C 1.854 178.483 176.600 0.047 0.000 0.985 219 E CA 0.951 57.390 56.400 0.065 0.000 0.801 219 E CB -0.057 29.697 29.700 0.090 0.000 0.750 219 E HN 0.317 nan 8.360 nan 0.000 0.452 220 A N 1.251 124.091 122.820 0.034 0.000 1.933 220 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 220 A C 2.410 180.032 177.584 0.063 0.000 1.175 220 A CA 1.268 53.335 52.037 0.049 0.000 0.628 220 A CB -0.616 18.416 19.000 0.054 0.000 0.814 220 A HN 0.314 nan 8.150 nan 0.000 0.444 221 I N -0.971 119.630 120.570 0.051 0.000 2.179 221 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 221 I C 2.788 178.942 176.117 0.061 0.000 1.088 221 I CA 1.860 63.193 61.300 0.055 0.000 1.357 221 I CB -0.339 37.682 38.000 0.034 0.000 1.051 221 I HN 0.463 nan 8.210 nan 0.000 0.409 222 Q N 0.881 120.712 119.800 0.053 0.000 2.096 222 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 222 Q C 2.358 178.394 176.000 0.059 0.000 0.982 222 Q CA 1.735 57.568 55.803 0.051 0.000 0.850 222 Q CB -0.082 28.684 28.738 0.047 0.000 0.901 222 Q HN 0.263 nan 8.270 nan 0.000 0.422 223 R N -0.806 119.731 120.500 0.062 0.000 2.066 223 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 223 R C 2.159 178.517 176.300 0.098 0.000 1.131 223 R CA 1.219 57.356 56.100 0.062 0.000 0.955 223 R CB -0.353 29.976 30.300 0.047 0.000 0.851 223 R HN 0.363 nan 8.270 nan 0.000 0.432 224 A N 0.908 123.805 122.820 0.129 0.000 1.902 224 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 224 A C 1.983 179.719 177.584 0.254 0.000 1.181 224 A CA 1.065 53.242 52.037 0.234 0.000 0.623 224 A CB -0.500 18.645 19.000 0.241 0.000 0.818 224 A HN 0.217 nan 8.150 nan 0.000 0.443 225 L N -0.971 120.339 121.223 0.146 0.000 2.012 225 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 225 L C 2.382 179.319 176.870 0.111 0.000 1.073 225 L CA 1.483 56.383 54.840 0.100 0.000 0.748 225 L CB -1.113 40.979 42.059 0.055 0.000 0.891 225 L HN 0.293 nan 8.230 nan 0.000 0.431 226 L N -1.331 119.953 121.223 0.102 0.000 2.083 226 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 226 L C 2.348 179.299 176.870 0.136 0.000 1.083 226 L CA 1.503 56.395 54.840 0.087 0.000 0.752 226 L CB -0.687 41.403 42.059 0.053 0.000 0.899 226 L HN 0.198 nan 8.230 nan 0.000 0.433 227 L N -1.242 120.108 121.223 0.211 0.000 2.179 227 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 227 L C 2.481 179.655 176.870 0.507 0.000 1.096 227 L CA 0.869 55.913 54.840 0.340 0.000 0.779 227 L CB -0.588 41.639 42.059 0.280 0.000 0.922 227 L HN 0.367 nan 8.230 nan 0.000 0.443 228 Q N 1.310 121.368 119.800 0.430 0.000 2.123 228 Q HA -0.225 4.115 4.340 -0.000 0.000 0.199 228 Q C 1.953 178.023 176.000 0.117 0.000 0.966 228 Q CA 1.672 57.585 55.803 0.184 0.000 0.845 228 Q CB -0.286 28.416 28.738 -0.061 0.000 0.907 228 Q HN 0.135 nan 8.270 nan 0.000 0.439 229 K N 0.551 121.019 120.400 0.112 0.000 2.127 229 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 229 K C 1.825 178.480 176.600 0.093 0.000 1.047 229 K CA 2.002 58.331 56.287 0.070 0.000 0.927 229 K CB -0.302 32.234 32.500 0.060 0.000 0.716 229 K HN 0.418 nan 8.250 nan 0.000 0.450 230 E N -1.152 119.147 120.200 0.166 0.000 2.190 230 E HA 0.182 4.532 4.350 -0.000 0.000 0.191 230 E C 1.533 178.270 176.600 0.227 0.000 0.978 230 E CA 0.951 57.472 56.400 0.203 0.000 0.839 230 E CB -0.003 29.855 29.700 0.263 0.000 0.787 230 E HN 0.347 nan 8.360 nan 0.000 0.473 231 A N -0.486 122.475 122.820 0.236 0.000 1.984 231 A HA 0.334 4.654 4.320 -0.000 0.000 0.214 231 A C 1.944 179.532 177.584 0.007 0.000 1.173 231 A CA 1.030 53.123 52.037 0.093 0.000 0.673 231 A CB -0.557 18.498 19.000 0.093 0.000 0.830 231 A HN 0.457 nan 8.150 nan 0.000 0.453 232 G N -1.200 107.597 108.800 -0.005 0.000 2.148 232 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 232 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 232 G C 0.466 175.312 174.900 -0.090 0.000 0.981 232 G CA 0.519 45.593 45.100 -0.043 0.000 0.670 232 G HN 1.544 nan 8.290 nan 0.000 0.528 233 C N -0.607 118.602 119.300 -0.153 0.000 2.534 233 C HA 0.804 5.264 4.460 -0.000 0.000 0.385 233 C C 1.174 176.045 174.990 -0.198 0.000 1.264 233 C CA -1.587 57.318 59.018 -0.189 0.000 2.342 233 C CB 0.863 28.442 27.740 -0.267 0.000 2.564 233 C HN 0.599 nan 8.230 nan 0.000 0.603 234 R N 1.300 121.715 120.500 -0.141 0.000 2.449 234 R HA 0.439 4.779 4.340 -0.000 0.000 0.296 234 R C -0.865 175.349 176.300 -0.142 0.000 1.047 234 R CA -0.205 55.834 56.100 -0.102 0.000 1.018 234 R CB 0.290 30.527 30.300 -0.106 0.000 0.962 234 R HN 0.804 nan 8.270 nan 0.000 0.428 235 L N 6.151 127.315 121.223 -0.098 0.000 2.362 235 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 235 L C -1.221 175.661 176.870 0.020 0.000 0.998 235 L CA -0.391 54.379 54.840 -0.116 0.000 0.820 235 L CB 1.765 43.692 42.059 -0.221 0.000 1.270 235 L HN 0.563 nan 8.230 nan 0.000 0.415 236 I N 5.605 126.185 120.570 0.015 0.000 2.418 236 I HA 0.355 4.525 4.170 -0.000 0.000 0.287 236 I C -0.719 175.425 176.117 0.045 0.000 1.008 236 I CA -0.980 60.352 61.300 0.053 0.000 1.104 236 I CB 2.011 40.027 38.000 0.027 0.000 1.264 236 I HN 0.270 nan 8.210 nan 0.000 0.438 237 V N 7.276 127.216 119.914 0.043 0.000 2.408 237 V HA 0.237 4.357 4.120 -0.000 0.000 0.267 237 V C 0.532 176.619 176.094 -0.012 0.000 1.047 237 V CA -0.351 61.964 62.300 0.026 0.000 0.937 237 V CB 0.831 32.673 31.823 0.032 0.000 0.999 237 V HN 0.492 nan 8.190 nan 0.000 0.472 238 L N 5.096 126.258 121.223 -0.102 0.000 2.464 238 L HA 0.294 4.634 4.340 -0.000 0.000 0.264 238 L C 0.795 177.501 176.870 -0.274 0.000 1.199 238 L CA -0.782 53.905 54.840 -0.255 0.000 0.818 238 L CB 0.004 41.739 42.059 -0.541 0.000 1.102 238 L HN 1.019 nan 8.230 nan 0.000 0.473 239 H N -0.685 118.473 119.070 0.147 0.000 1.799 239 H HA -0.124 4.432 4.556 -0.000 0.000 0.315 239 H C -0.877 174.319 175.328 -0.220 0.000 0.805 239 H CA -0.274 55.807 56.048 0.056 0.000 1.047 239 H CB -2.171 27.727 29.762 0.226 0.000 1.526 239 H HN 0.169 nan 8.280 nan 0.000 0.272 240 V N 2.653 122.522 119.914 -0.074 0.000 2.432 240 V HA 0.112 4.232 4.120 -0.000 0.000 0.271 240 V C 1.492 177.324 176.094 -0.435 0.000 1.046 240 V CA 0.477 62.670 62.300 -0.179 0.000 0.945 240 V CB 1.305 33.076 31.823 -0.088 0.000 0.992 240 V HN 0.949 nan 8.190 nan 0.000 0.471 241 S N 3.570 118.935 115.700 -0.558 0.000 2.501 241 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 241 S C 0.519 174.966 174.600 -0.254 0.000 0.997 241 S CA 0.197 57.986 58.200 -0.685 0.000 0.919 241 S CB -0.273 62.578 63.200 -0.581 0.000 0.778 241 S HN 0.926 nan 8.310 nan 0.000 0.523 242 N N -0.255 118.348 118.700 -0.160 0.000 2.262 242 N HA 0.587 5.326 4.740 -0.000 0.000 0.295 242 N C -2.794 172.689 175.510 -0.045 0.000 1.161 242 N CA -2.049 50.959 53.050 -0.070 0.000 0.767 242 N CB 1.372 39.832 38.487 -0.044 0.000 1.499 242 N HN -0.275 nan 8.380 nan 0.000 0.476 243 P HA -0.152 nan 4.420 nan 0.000 0.216 243 P C 0.191 177.491 177.300 0.000 0.000 1.153 243 P CA 1.288 64.385 63.100 -0.005 0.000 0.858 243 P CB 0.120 31.829 31.700 0.014 0.000 0.789 244 D N -0.923 119.481 120.400 0.007 0.000 2.178 244 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 244 D C 2.231 178.539 176.300 0.013 0.000 0.980 244 D CA 1.631 55.641 54.000 0.016 0.000 0.842 244 D CB -0.945 39.870 40.800 0.024 0.000 0.948 244 D HN 0.211 nan 8.370 nan 0.000 0.472 245 G N 0.761 109.561 108.800 -0.001 0.000 2.403 245 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 245 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 245 G C 1.896 176.797 174.900 0.003 0.000 1.154 245 G CA 0.411 45.509 45.100 -0.003 0.000 0.784 245 G HN 0.204 nan 8.290 nan 0.000 0.538 246 V N 0.641 120.551 119.914 -0.007 0.000 2.287 246 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 246 V C 2.642 178.758 176.094 0.037 0.000 1.053 246 V CA 2.350 64.650 62.300 -0.000 0.000 1.027 246 V CB -0.499 31.308 31.823 -0.026 0.000 0.646 246 V HN 0.420 nan 8.190 nan 0.000 0.447 247 E N -0.410 119.812 120.200 0.037 0.000 2.058 247 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 247 E C 2.099 178.744 176.600 0.076 0.000 0.997 247 E CA 1.172 57.616 56.400 0.072 0.000 0.801 247 E CB -0.203 29.527 29.700 0.050 0.000 0.746 247 E HN 0.305 nan 8.360 nan 0.000 0.450 248 L N 0.508 121.758 121.223 0.045 0.000 2.013 248 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 248 L C 2.097 178.982 176.870 0.026 0.000 1.073 248 L CA 1.648 56.508 54.840 0.032 0.000 0.753 248 L CB -0.573 41.503 42.059 0.027 0.000 0.890 248 L HN 0.266 nan 8.230 nan 0.000 0.432 249 I N -2.152 118.438 120.570 0.033 0.000 2.202 249 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 249 I C 2.527 178.655 176.117 0.018 0.000 1.091 249 I CA 1.102 62.411 61.300 0.015 0.000 1.368 249 I CB -0.406 37.606 38.000 0.019 0.000 1.058 249 I HN 0.319 nan 8.210 nan 0.000 0.410 250 H N 1.008 120.056 119.070 -0.038 0.000 2.319 250 H HA -0.267 4.289 4.556 -0.000 0.000 0.299 250 H C 2.166 177.470 175.328 -0.039 0.000 1.092 250 H CA 2.256 58.281 56.048 -0.039 0.000 1.302 250 H CB -0.143 29.605 29.762 -0.022 0.000 1.373 250 H HN 0.204 nan 8.280 nan 0.000 0.497 251 Q N 0.400 120.165 119.800 -0.058 0.000 2.077 251 Q HA -0.123 4.217 4.340 -0.000 0.000 0.206 251 Q C 2.380 178.307 176.000 -0.122 0.000 0.989 251 Q CA 2.227 57.968 55.803 -0.102 0.000 0.853 251 Q CB -0.841 27.884 28.738 -0.022 0.000 0.907 251 Q HN 0.546 nan 8.270 nan 0.000 0.418 252 A N 0.467 123.235 122.820 -0.087 0.000 1.898 252 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 252 A C 2.041 179.549 177.584 -0.126 0.000 1.181 252 A CA 1.763 53.750 52.037 -0.084 0.000 0.620 252 A CB -0.824 18.144 19.000 -0.055 0.000 0.819 252 A HN 0.715 nan 8.150 nan 0.000 0.442 253 Q N -0.745 118.952 119.800 -0.171 0.000 2.119 253 Q HA -0.108 4.232 4.340 -0.000 0.000 0.201 253 Q C 1.969 177.849 176.000 -0.200 0.000 0.972 253 Q CA 1.885 57.564 55.803 -0.207 0.000 0.847 253 Q CB -0.582 28.005 28.738 -0.251 0.000 0.903 253 Q HN 0.486 nan 8.270 nan 0.000 0.433 254 S N 0.448 115.989 115.700 -0.266 0.000 2.469 254 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 254 S C 1.228 175.741 174.600 -0.145 0.000 0.998 254 S CA 1.139 59.189 58.200 -0.250 0.000 0.957 254 S CB -0.122 62.863 63.200 -0.359 0.000 0.764 254 S HN 0.565 nan 8.310 nan 0.000 0.514 255 E N -0.545 119.582 120.200 -0.121 0.000 2.463 255 E HA 0.290 4.640 4.350 -0.000 0.000 0.193 255 E C 1.147 177.706 176.600 -0.069 0.000 1.041 255 E CA 0.287 56.639 56.400 -0.080 0.000 0.879 255 E CB 0.238 29.900 29.700 -0.063 0.000 0.997 255 E HN 0.634 nan 8.360 nan 0.000 0.478 256 G N 1.302 110.052 108.800 -0.082 0.000 2.201 256 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.212 256 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.212 256 G C 0.160 175.016 174.900 -0.074 0.000 0.994 256 G CA -0.498 44.562 45.100 -0.068 0.000 0.644 256 G HN 0.229 nan 8.290 nan 0.000 0.508 257 Q N 0.689 120.435 119.800 -0.090 0.000 2.304 257 Q HA 0.335 4.675 4.340 -0.000 0.000 0.260 257 Q C -0.492 175.421 176.000 -0.145 0.000 0.965 257 Q CA -0.297 55.448 55.803 -0.095 0.000 0.898 257 Q CB 1.097 29.783 28.738 -0.086 0.000 1.196 257 Q HN 0.168 nan 8.270 nan 0.000 0.402 258 D N 2.938 123.267 120.400 -0.118 0.000 2.767 258 D HA 0.108 4.748 4.640 -0.000 0.000 0.231 258 D C -0.950 175.234 176.300 -0.193 0.000 1.105 258 D CA -0.132 53.801 54.000 -0.112 0.000 1.024 258 D CB -0.298 40.487 40.800 -0.023 0.000 1.123 258 D HN 0.300 nan 8.370 nan 0.000 0.470 259 V N -0.617 119.044 119.914 -0.422 0.000 2.769 259 V HA 0.674 4.793 4.120 -0.000 0.000 0.312 259 V C -0.577 175.056 176.094 -0.768 0.000 1.061 259 V CA -0.718 61.360 62.300 -0.370 0.000 0.931 259 V CB 2.235 33.947 31.823 -0.185 0.000 1.010 259 V HN 0.250 nan 8.190 nan 0.000 0.433 260 H N 1.540 120.582 119.070 -0.047 0.000 2.928 260 H HA 0.569 5.125 4.556 -0.000 0.000 0.371 260 H C -1.188 174.135 175.328 -0.009 0.000 1.186 260 H CA -0.470 55.563 56.048 -0.026 0.000 1.134 260 H CB 2.105 31.837 29.762 -0.049 0.000 1.824 260 H HN 1.012 nan 8.280 nan 0.000 0.554 261 C N 1.862 121.230 119.300 0.115 0.000 2.322 261 C HA 0.364 4.824 4.460 -0.000 0.000 0.324 261 C C 0.085 175.114 174.990 0.064 0.000 1.284 261 C CA -0.219 58.838 59.018 0.066 0.000 1.606 261 C CB 0.022 27.786 27.740 0.040 0.000 2.251 261 C HN 0.863 nan 8.230 nan 0.000 0.502 262 E N 4.042 124.275 120.200 0.055 0.000 2.212 262 E HA 0.616 4.966 4.350 -0.000 0.000 0.268 262 E C -0.901 175.737 176.600 0.062 0.000 0.902 262 E CA -0.099 56.343 56.400 0.070 0.000 0.779 262 E CB 1.949 31.708 29.700 0.099 0.000 1.172 262 E HN 0.771 nan 8.360 nan 0.000 0.409 263 S N 1.583 117.327 115.700 0.073 0.000 2.806 263 S HA 0.926 5.396 4.470 -0.000 0.000 0.306 263 S C -0.898 173.799 174.600 0.161 0.000 1.167 263 S CA -0.062 58.196 58.200 0.096 0.000 0.847 263 S CB 1.721 64.929 63.200 0.014 0.000 1.216 263 S HN 0.659 nan 8.310 nan 0.000 0.532 264 G N 0.434 109.384 108.800 0.251 0.000 2.684 264 G HA2 0.546 4.506 3.960 -0.000 0.000 0.290 264 G HA3 0.546 4.506 3.960 -0.000 0.000 0.290 264 G C -2.614 172.345 174.900 0.100 0.000 1.425 264 G CA -1.067 44.133 45.100 0.166 0.000 0.822 264 G HN 0.405 nan 8.290 nan 0.000 0.482 265 P HA -0.171 nan 4.420 nan 0.000 0.220 265 P C 1.081 178.469 177.300 0.146 0.000 1.144 265 P CA 1.251 64.373 63.100 0.036 0.000 0.800 265 P CB 0.327 32.025 31.700 -0.004 0.000 0.772 266 Q N -1.044 118.814 119.800 0.096 0.000 2.167 266 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 266 Q C 1.878 177.775 176.000 -0.171 0.000 0.970 266 Q CA 1.478 57.265 55.803 -0.027 0.000 0.855 266 Q CB -1.239 27.280 28.738 -0.364 0.000 0.911 266 Q HN 0.367 nan 8.270 nan 0.000 0.438 267 Y N -0.258 120.082 120.300 0.066 0.000 2.475 267 Y HA 0.122 4.672 4.550 -0.000 0.000 0.289 267 Y C 1.672 177.561 175.900 -0.018 0.000 1.121 267 Y CA 0.386 58.497 58.100 0.019 0.000 1.257 267 Y CB 0.100 38.554 38.460 -0.010 0.000 1.026 267 Y HN 0.018 nan 8.280 nan 0.000 0.555 268 L N -0.538 120.705 121.223 0.033 0.000 2.202 268 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 268 L C 1.250 178.233 176.870 0.189 0.000 1.083 268 L CA 0.759 55.488 54.840 -0.185 0.000 0.790 268 L CB -0.170 41.479 42.059 -0.684 0.000 0.942 268 L HN 0.179 nan 8.230 nan 0.000 0.452 269 N N -0.034 118.812 118.700 0.244 0.000 2.270 269 N HA 0.294 5.033 4.740 -0.000 0.000 0.198 269 N C -0.008 175.711 175.510 0.347 0.000 1.117 269 N CA 0.370 53.635 53.050 0.358 0.000 0.845 269 N CB 1.443 40.106 38.487 0.292 0.000 0.980 269 N HN 0.247 nan 8.380 nan 0.000 0.486 270 I N -0.374 120.348 120.570 0.253 0.000 2.769 270 I HA 0.275 4.445 4.170 -0.000 0.000 0.298 270 I C -0.371 175.830 176.117 0.141 0.000 1.128 270 I CA -0.468 60.933 61.300 0.169 0.000 1.031 270 I CB 2.620 40.662 38.000 0.070 0.000 1.235 270 I HN -0.298 nan 8.210 nan 0.000 0.423 271 T N 0.607 115.229 114.554 0.114 0.000 2.901 271 T HA 0.211 4.561 4.350 -0.000 0.000 0.293 271 T C 0.957 175.702 174.700 0.075 0.000 1.084 271 T CA -0.286 61.877 62.100 0.105 0.000 1.008 271 T CB 1.879 70.814 68.868 0.111 0.000 1.170 271 T HN 0.823 nan 8.240 nan 0.000 0.509 272 T N -1.084 113.512 114.554 0.069 0.000 2.881 272 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 272 T C 0.883 175.611 174.700 0.047 0.000 1.068 272 T CA 1.662 63.793 62.100 0.052 0.000 1.131 272 T CB -0.665 68.231 68.868 0.046 0.000 0.871 272 T HN 0.732 nan 8.240 nan 0.000 0.479 273 D N 0.968 121.400 120.400 0.054 0.000 2.400 273 D HA 0.108 4.748 4.640 -0.000 0.000 0.243 273 D C 0.683 177.015 176.300 0.053 0.000 1.184 273 D CA -0.081 53.949 54.000 0.050 0.000 0.853 273 D CB -0.040 40.789 40.800 0.048 0.000 0.944 273 D HN 0.312 nan 8.370 nan 0.000 0.501 274 D N -0.208 120.223 120.400 0.053 0.000 2.500 274 D HA 0.138 4.778 4.640 -0.000 0.000 0.218 274 D C 1.960 178.288 176.300 0.046 0.000 1.140 274 D CA 0.072 54.106 54.000 0.056 0.000 0.830 274 D CB 0.478 41.314 40.800 0.060 0.000 1.055 274 D HN 0.257 nan 8.370 nan 0.000 0.512 275 A N 1.409 124.247 122.820 0.031 0.000 1.892 275 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 275 A C 2.033 179.636 177.584 0.031 0.000 1.188 275 A CA 1.582 53.623 52.037 0.007 0.000 0.631 275 A CB -0.435 18.567 19.000 0.003 0.000 0.822 275 A HN 0.159 nan 8.150 nan 0.000 0.447 276 E N -0.888 119.349 120.200 0.061 0.000 2.077 276 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 276 E C 2.349 179.056 176.600 0.179 0.000 0.989 276 E CA 1.484 57.945 56.400 0.102 0.000 0.800 276 E CB -0.138 29.608 29.700 0.076 0.000 0.746 276 E HN 0.800 nan 8.360 nan 0.000 0.452 277 R N 0.293 120.884 120.500 0.151 0.000 2.173 277 R HA 0.041 4.381 4.340 -0.000 0.000 0.208 277 R C 1.884 178.363 176.300 0.298 0.000 1.035 277 R CA 0.882 57.095 56.100 0.190 0.000 1.004 277 R CB -0.119 30.248 30.300 0.112 0.000 0.917 277 R HN 0.160 nan 8.270 nan 0.000 0.462 278 I N 1.112 121.801 120.570 0.199 0.000 3.035 278 I HA 0.141 4.311 4.170 -0.000 0.000 0.271 278 I C 1.413 177.515 176.117 -0.025 0.000 1.190 278 I CA 0.617 62.014 61.300 0.163 0.000 1.472 278 I CB -0.172 37.856 38.000 0.048 0.000 1.116 278 I HN 0.483 nan 8.210 nan 0.000 0.443 279 G N 2.711 111.419 108.800 -0.153 0.000 2.614 279 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.303 279 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.303 279 G C -1.271 173.223 174.900 -0.676 0.000 1.270 279 G CA 0.382 45.130 45.100 -0.586 0.000 0.988 279 G HN 0.228 nan 8.290 nan 0.000 0.551 280 P HA -0.106 nan 4.420 nan 0.000 0.223 280 P C 1.046 177.850 177.300 -0.826 0.000 1.144 280 P CA 1.903 64.441 63.100 -0.938 0.000 0.783 280 P CB -0.157 30.858 31.700 -1.140 0.000 0.771 281 Y N -1.119 118.893 120.300 -0.480 0.000 2.578 281 Y HA 0.142 4.692 4.550 -0.000 0.000 0.297 281 Y C 2.484 178.248 175.900 -0.228 0.000 1.176 281 Y CA 0.619 58.551 58.100 -0.279 0.000 1.315 281 Y CB -0.482 37.870 38.460 -0.180 0.000 1.031 281 Y HN -0.007 nan 8.280 nan 0.000 0.524 282 M N -0.454 119.032 119.600 -0.191 0.000 2.306 282 M HA 0.139 4.619 4.480 -0.000 0.000 0.292 282 M C 0.059 176.247 176.300 -0.187 0.000 1.018 282 M CA 0.085 55.282 55.300 -0.172 0.000 1.007 282 M CB 0.452 32.970 32.600 -0.137 0.000 1.510 282 M HN -0.167 nan 8.290 nan 0.000 0.537 283 K N 2.185 122.414 120.400 -0.285 0.000 2.336 283 K HA 0.307 4.627 4.320 -0.000 0.000 0.290 283 K C -1.314 175.148 176.600 -0.231 0.000 1.067 283 K CA -0.087 55.995 56.287 -0.341 0.000 0.962 283 K CB 0.659 32.795 32.500 -0.607 0.000 1.008 283 K HN 0.202 nan 8.250 nan 0.000 0.467 284 V N 2.587 122.466 119.914 -0.059 0.000 3.160 284 V HA 0.805 4.925 4.120 -0.000 0.000 0.310 284 V C -1.653 174.532 176.094 0.151 0.000 1.181 284 V CA -0.655 61.640 62.300 -0.008 0.000 1.047 284 V CB 2.316 34.093 31.823 -0.077 0.000 1.068 284 V HN 0.854 nan 8.190 nan 0.000 0.441 285 A N 4.108 127.004 122.820 0.127 0.000 2.353 285 A HA 0.924 5.244 4.320 -0.000 0.000 0.299 285 A C -3.015 174.529 177.584 -0.066 0.000 1.089 285 A CA -1.675 50.456 52.037 0.158 0.000 0.736 285 A CB 1.684 20.826 19.000 0.237 0.000 1.195 285 A HN 0.592 nan 8.150 nan 0.000 0.447 286 P HA 0.303 nan 4.420 nan 0.000 0.270 286 P C -2.590 174.788 177.300 0.130 0.000 1.223 286 P CA -0.881 62.189 63.100 -0.050 0.000 0.785 286 P CB -0.142 31.446 31.700 -0.187 0.000 0.923 287 P HA -0.000 nan 4.420 nan 0.000 0.269 287 P C -0.490 176.946 177.300 0.227 0.000 1.215 287 P CA 0.073 63.244 63.100 0.119 0.000 0.780 287 P CB 0.286 31.907 31.700 -0.133 0.000 0.898 288 V N 3.470 123.510 119.914 0.211 0.000 2.715 288 V HA 0.092 4.212 4.120 -0.000 0.000 0.299 288 V C 1.107 177.290 176.094 0.148 0.000 1.054 288 V CA 0.482 62.920 62.300 0.231 0.000 1.077 288 V CB 0.342 32.219 31.823 0.090 0.000 0.972 288 V HN 0.514 nan 8.190 nan 0.000 0.484 289 R N 2.121 122.713 120.500 0.152 0.000 2.603 289 R HA 0.505 4.845 4.340 -0.000 0.000 0.231 289 R C 0.414 176.763 176.300 0.082 0.000 1.263 289 R CA -0.187 55.964 56.100 0.085 0.000 1.102 289 R CB 0.548 30.884 30.300 0.059 0.000 1.527 289 R HN 0.880 nan 8.270 nan 0.000 0.554 290 S N -0.318 115.421 115.700 0.065 0.000 2.584 290 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 290 S C 1.157 175.805 174.600 0.081 0.000 1.346 290 S CA -0.044 58.195 58.200 0.066 0.000 1.018 290 S CB 1.195 64.427 63.200 0.053 0.000 0.899 290 S HN 0.601 nan 8.310 nan 0.000 0.542 291 A N 1.571 124.438 122.820 0.079 0.000 1.940 291 A HA -0.100 4.219 4.320 -0.000 0.000 0.219 291 A C 2.096 179.734 177.584 0.090 0.000 1.176 291 A CA 1.756 53.847 52.037 0.090 0.000 0.631 291 A CB -1.115 17.929 19.000 0.074 0.000 0.814 291 A HN 0.976 nan 8.150 nan 0.000 0.446 292 E N -0.521 119.722 120.200 0.071 0.000 2.051 292 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 292 E C 2.074 178.719 176.600 0.074 0.000 0.991 292 E CA 1.547 57.986 56.400 0.065 0.000 0.799 292 E CB -0.317 29.413 29.700 0.051 0.000 0.748 292 E HN 0.674 nan 8.360 nan 0.000 0.449 293 M N 0.642 120.284 119.600 0.072 0.000 2.229 293 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 293 M C 2.114 178.469 176.300 0.092 0.000 1.063 293 M CA 1.016 56.357 55.300 0.068 0.000 1.114 293 M CB -0.331 32.300 32.600 0.053 0.000 1.387 293 M HN 0.066 nan 8.290 nan 0.000 0.420 294 N N 1.242 120.017 118.700 0.124 0.000 2.104 294 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 294 N C 1.408 177.080 175.510 0.269 0.000 1.024 294 N CA 1.449 54.611 53.050 0.187 0.000 0.853 294 N CB -0.107 38.513 38.487 0.221 0.000 1.008 294 N HN 0.254 nan 8.380 nan 0.000 0.424 295 I N 0.296 120.991 120.570 0.210 0.000 2.127 295 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 295 I C 2.549 178.782 176.117 0.193 0.000 1.075 295 I CA 0.986 62.407 61.300 0.202 0.000 1.334 295 I CB -0.279 37.788 38.000 0.112 0.000 1.040 295 I HN 0.206 nan 8.210 nan 0.000 0.405 296 R N 0.228 120.804 120.500 0.126 0.000 2.096 296 R HA -0.200 4.140 4.340 -0.000 0.000 0.240 296 R C 2.285 178.638 176.300 0.089 0.000 1.139 296 R CA 1.455 57.609 56.100 0.090 0.000 0.952 296 R CB -0.994 29.341 30.300 0.058 0.000 0.854 296 R HN 0.255 nan 8.270 nan 0.000 0.436 297 L N -0.489 120.779 121.223 0.075 0.000 2.013 297 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 297 L C 2.162 179.033 176.870 0.003 0.000 1.073 297 L CA 1.780 56.619 54.840 -0.002 0.000 0.753 297 L CB -0.827 41.197 42.059 -0.057 0.000 0.890 297 L HN 0.234 nan 8.230 nan 0.000 0.432 298 W N -0.144 121.171 121.300 0.026 0.000 2.374 298 W HA -0.163 4.497 4.660 -0.000 0.000 0.288 298 W C 2.552 179.074 176.519 0.005 0.000 1.218 298 W CA 1.151 58.508 57.345 0.019 0.000 1.245 298 W CB -0.079 29.394 29.460 0.022 0.000 1.126 298 W HN 0.220 nan 8.180 nan 0.000 0.545 299 E N -0.197 120.142 120.200 0.231 0.000 2.046 299 E HA -0.236 4.114 4.350 -0.000 0.000 0.190 299 E C 2.057 178.696 176.600 0.066 0.000 0.982 299 E CA 1.241 57.717 56.400 0.128 0.000 0.800 299 E CB -0.371 29.381 29.700 0.086 0.000 0.756 299 E HN 0.418 nan 8.360 nan 0.000 0.449 300 Q N 0.607 120.426 119.800 0.032 0.000 2.135 300 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 300 Q C 2.362 178.338 176.000 -0.040 0.000 0.981 300 Q CA 0.872 56.656 55.803 -0.032 0.000 0.856 300 Q CB -0.118 28.589 28.738 -0.052 0.000 0.902 300 Q HN 0.327 nan 8.270 nan 0.000 0.425 301 L N 0.766 121.980 121.223 -0.015 0.000 1.976 301 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 301 L C 2.393 179.273 176.870 0.017 0.000 1.071 301 L CA 1.807 56.632 54.840 -0.025 0.000 0.746 301 L CB -0.256 41.763 42.059 -0.067 0.000 0.890 301 L HN 0.241 nan 8.230 nan 0.000 0.432 302 E N 0.356 120.600 120.200 0.074 0.000 2.204 302 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 302 E C 1.643 178.260 176.600 0.028 0.000 0.990 302 E CA 1.179 57.620 56.400 0.067 0.000 0.821 302 E CB -0.097 29.661 29.700 0.098 0.000 0.750 302 E HN 0.415 nan 8.360 nan 0.000 0.477 303 N N -0.601 118.105 118.700 0.009 0.000 2.398 303 N HA 0.056 4.796 4.740 -0.000 0.000 0.188 303 N C 0.742 176.225 175.510 -0.045 0.000 1.122 303 N CA 0.924 53.965 53.050 -0.015 0.000 0.866 303 N CB 0.859 39.333 38.487 -0.021 0.000 0.970 303 N HN 0.327 nan 8.380 nan 0.000 0.462 304 G N 0.327 109.096 108.800 -0.051 0.000 2.157 304 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 304 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 304 G C 0.685 175.498 174.900 -0.144 0.000 0.982 304 G CA -0.035 45.029 45.100 -0.060 0.000 0.650 304 G HN 0.243 nan 8.290 nan 0.000 0.527 305 L N 0.379 121.453 121.223 -0.247 0.000 2.418 305 L HA 0.425 4.765 4.340 -0.000 0.000 0.218 305 L C 1.483 178.265 176.870 -0.147 0.000 1.125 305 L CA 0.876 55.471 54.840 -0.409 0.000 0.835 305 L CB 0.135 41.929 42.059 -0.443 0.000 0.953 305 L HN 0.403 nan 8.230 nan 0.000 0.454 306 I N -0.046 120.474 120.570 -0.083 0.000 2.307 306 I HA 0.083 4.253 4.170 -0.000 0.000 0.289 306 I C 0.573 176.690 176.117 0.000 0.000 1.021 306 I CA -0.264 61.016 61.300 -0.034 0.000 1.224 306 I CB 1.294 39.264 38.000 -0.051 0.000 1.376 306 I HN 0.081 nan 8.210 nan 0.000 0.470 307 D N 3.588 124.011 120.400 0.038 0.000 2.123 307 D HA -0.049 4.591 4.640 -0.000 0.000 0.200 307 D C 0.910 177.235 176.300 0.042 0.000 0.976 307 D CA 1.437 55.472 54.000 0.060 0.000 0.831 307 D CB 0.377 41.251 40.800 0.125 0.000 0.974 307 D HN 0.622 nan 8.370 nan 0.000 0.469 308 T N -1.754 112.828 114.554 0.047 0.000 2.864 308 T HA 0.562 4.912 4.350 -0.000 0.000 0.299 308 T C -1.085 173.649 174.700 0.056 0.000 1.166 308 T CA -0.952 61.180 62.100 0.053 0.000 1.007 308 T CB 2.311 71.225 68.868 0.077 0.000 1.219 308 T HN -0.184 nan 8.240 nan 0.000 0.506 309 L N 1.090 122.348 121.223 0.058 0.000 2.362 309 L HA 0.853 5.193 4.340 -0.000 0.000 0.275 309 L C 0.296 177.220 176.870 0.090 0.000 0.998 309 L CA -0.103 54.772 54.840 0.059 0.000 0.820 309 L CB 1.578 43.651 42.059 0.022 0.000 1.270 309 L HN 1.214 nan 8.230 nan 0.000 0.415 310 G N 0.299 109.172 108.800 0.120 0.000 2.591 310 G HA2 0.467 4.426 3.960 -0.000 0.000 0.306 310 G HA3 0.467 4.426 3.960 -0.000 0.000 0.306 310 G C 0.384 175.344 174.900 0.099 0.000 1.334 310 G CA 0.205 45.392 45.100 0.145 0.000 0.981 310 G HN 0.635 nan 8.290 nan 0.000 0.491 311 S N 0.786 116.535 115.700 0.081 0.000 2.387 311 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 311 S C 1.099 175.707 174.600 0.013 0.000 1.026 311 S CA 1.319 59.562 58.200 0.071 0.000 0.972 311 S CB -0.132 63.129 63.200 0.101 0.000 0.814 311 S HN 0.944 nan 8.310 nan 0.000 0.477 312 D N 0.652 120.988 120.400 -0.107 0.000 2.800 312 D HA -0.229 4.411 4.640 -0.000 0.000 0.232 312 D C -0.193 176.171 176.300 0.107 0.000 1.137 312 D CA 0.859 54.691 54.000 -0.281 0.000 0.718 312 D CB -2.521 38.039 40.800 -0.399 0.000 1.084 312 D HN 0.882 nan 8.370 nan 0.000 0.432 313 H N -0.321 118.793 119.070 0.074 0.000 3.070 313 H HA 0.419 4.975 4.556 -0.000 0.000 0.313 313 H C 0.663 176.108 175.328 0.196 0.000 0.997 313 H CA 1.640 57.752 56.048 0.106 0.000 1.438 313 H CB 0.416 30.222 29.762 0.073 0.000 1.455 313 H HN 0.323 nan 8.280 nan 0.000 0.575 314 G N 3.435 112.099 108.800 -0.227 0.000 2.635 314 G HA2 0.451 4.411 3.960 -0.000 0.000 0.295 314 G HA3 0.451 4.411 3.960 -0.000 0.000 0.295 314 G C -0.287 174.572 174.900 -0.068 0.000 1.359 314 G CA -0.319 44.745 45.100 -0.059 0.000 1.232 314 G HN 0.912 nan 8.290 nan 0.000 0.597 315 G N -0.045 108.773 108.800 0.030 0.000 2.562 315 G HA2 0.601 4.561 3.960 -0.000 0.000 0.275 315 G HA3 0.601 4.561 3.960 -0.000 0.000 0.275 315 G C -0.944 174.140 174.900 0.308 0.000 1.196 315 G CA -0.410 44.804 45.100 0.190 0.000 0.908 315 G HN 0.821 nan 8.290 nan 0.000 0.524 316 H N -0.330 118.765 119.070 0.041 0.000 3.086 316 H HA 0.358 4.914 4.556 -0.000 0.000 0.353 316 H C -2.472 172.645 175.328 -0.351 0.000 1.134 316 H CA -1.028 55.035 56.048 0.026 0.000 1.248 316 H CB 3.073 32.871 29.762 0.060 0.000 1.878 316 H HN 0.338 nan 8.280 nan 0.000 0.527 317 P HA -0.111 nan 4.420 nan 0.000 0.261 317 P C 1.116 178.363 177.300 -0.089 0.000 1.183 317 P CA 0.369 63.406 63.100 -0.104 0.000 0.761 317 P CB 1.241 32.904 31.700 -0.061 0.000 0.785 318 V N 3.705 123.575 119.914 -0.075 0.000 2.636 318 V HA -0.240 3.880 4.120 -0.000 0.000 0.258 318 V C 2.087 178.122 176.094 -0.098 0.000 1.092 318 V CA 2.353 64.574 62.300 -0.132 0.000 1.110 318 V CB -0.913 30.905 31.823 -0.009 0.000 0.685 318 V HN 0.635 nan 8.190 nan 0.000 0.481 319 E N -1.241 118.933 120.200 -0.043 0.000 2.502 319 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 319 E C 0.666 177.231 176.600 -0.060 0.000 1.062 319 E CA 0.799 57.178 56.400 -0.035 0.000 0.867 319 E CB -0.186 29.508 29.700 -0.009 0.000 0.888 319 E HN 0.607 nan 8.360 nan 0.000 0.510 320 D N 0.112 120.467 120.400 -0.075 0.000 2.395 320 D HA 0.118 4.757 4.640 -0.000 0.000 0.213 320 D C 1.086 177.240 176.300 -0.242 0.000 1.110 320 D CA 0.018 53.967 54.000 -0.085 0.000 0.835 320 D CB 0.541 41.388 40.800 0.078 0.000 0.965 320 D HN -0.025 nan 8.370 nan 0.000 0.505 321 K N -0.111 120.098 120.400 -0.318 0.000 2.362 321 K HA 0.089 4.409 4.320 -0.000 0.000 0.203 321 K C 1.676 177.933 176.600 -0.572 0.000 1.198 321 K CA 0.216 56.160 56.287 -0.572 0.000 0.908 321 K CB 0.185 32.200 32.500 -0.808 0.000 1.236 321 K HN -0.128 nan 8.250 nan 0.000 0.487 322 E N 1.773 121.788 120.200 -0.308 0.000 2.130 322 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 322 E C -1.185 175.405 176.600 -0.016 0.000 0.998 322 E CA 1.509 57.877 56.400 -0.054 0.000 0.806 322 E CB -0.814 28.947 29.700 0.102 0.000 0.738 322 E HN 0.152 nan 8.360 nan 0.000 0.459 323 P HA -0.056 nan 4.420 nan 0.000 0.231 323 P C 1.182 178.410 177.300 -0.121 0.000 1.158 323 P CA 1.341 64.408 63.100 -0.056 0.000 0.763 323 P CB -0.078 31.584 31.700 -0.063 0.000 0.805 324 G N -0.894 107.731 108.800 -0.291 0.000 2.471 324 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 324 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 324 G C 1.246 175.935 174.900 -0.351 0.000 1.125 324 G CA -0.020 44.835 45.100 -0.409 0.000 0.775 324 G HN 0.231 nan 8.290 nan 0.000 0.548 325 W N 0.936 122.120 121.300 -0.193 0.000 2.342 325 W HA 0.038 4.698 4.660 -0.000 0.000 0.297 325 W C 2.648 179.100 176.519 -0.112 0.000 1.213 325 W CA 1.184 58.445 57.345 -0.140 0.000 1.251 325 W CB 0.179 29.580 29.460 -0.098 0.000 1.136 325 W HN 0.177 nan 8.180 nan 0.000 0.526 326 K N -1.833 118.641 120.400 0.124 0.000 2.244 326 K HA -0.003 4.316 4.320 -0.000 0.000 0.200 326 K C 0.232 176.833 176.600 0.003 0.000 1.052 326 K CA 0.619 56.943 56.287 0.060 0.000 0.980 326 K CB 0.242 32.775 32.500 0.056 0.000 0.838 326 K HN -0.190 nan 8.250 nan 0.000 0.481 327 D N 0.829 121.204 120.400 -0.042 0.000 2.386 327 D HA 0.027 4.667 4.640 -0.000 0.000 0.247 327 D C 0.479 176.663 176.300 -0.193 0.000 1.336 327 D CA -0.199 53.763 54.000 -0.062 0.000 0.976 327 D CB 1.952 42.768 40.800 0.026 0.000 1.257 327 D HN -0.202 nan 8.370 nan 0.000 0.570 328 V N 4.394 124.079 119.914 -0.381 0.000 2.380 328 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 328 V C 1.329 177.089 176.094 -0.557 0.000 1.063 328 V CA 1.687 63.637 62.300 -0.583 0.000 1.055 328 V CB -0.351 31.002 31.823 -0.784 0.000 0.657 328 V HN 0.631 nan 8.190 nan 0.000 0.455 329 W N -0.078 121.156 121.300 -0.111 0.000 2.747 329 W HA -0.023 4.637 4.660 -0.000 0.000 0.244 329 W C 2.013 178.462 176.519 -0.117 0.000 1.270 329 W CA 0.361 57.649 57.345 -0.095 0.000 1.333 329 W CB -0.258 29.177 29.460 -0.041 0.000 1.139 329 W HN 0.161 nan 8.180 nan 0.000 0.662 330 K N -0.274 120.114 120.400 -0.021 0.000 2.399 330 K HA 0.367 4.687 4.320 -0.000 0.000 0.204 330 K C 0.400 176.907 176.600 -0.154 0.000 1.023 330 K CA -0.210 56.048 56.287 -0.049 0.000 1.127 330 K CB 0.534 33.018 32.500 -0.027 0.000 0.856 330 K HN -0.064 nan 8.250 nan 0.000 0.514 331 A N 0.869 123.532 122.820 -0.261 0.000 2.324 331 A HA 0.678 4.998 4.320 -0.000 0.000 0.330 331 A C 0.192 177.532 177.584 -0.407 0.000 1.165 331 A CA -0.561 51.248 52.037 -0.379 0.000 0.813 331 A CB 1.074 19.763 19.000 -0.518 0.000 1.197 331 A HN 0.206 nan 8.150 nan 0.000 0.484 332 G N 0.971 109.457 108.800 -0.524 0.000 2.504 332 G HA2 0.442 4.402 3.960 -0.000 0.000 0.288 332 G HA3 0.442 4.402 3.960 -0.000 0.000 0.288 332 G C -0.371 174.171 174.900 -0.595 0.000 1.182 332 G CA -0.629 44.079 45.100 -0.653 0.000 0.894 332 G HN 0.708 nan 8.290 nan 0.000 0.521 333 N N -0.369 118.103 118.700 -0.380 0.000 2.530 333 N HA 0.616 5.356 4.740 -0.000 0.000 0.277 333 N C 0.455 175.894 175.510 -0.118 0.000 1.168 333 N CA 0.755 53.668 53.050 -0.228 0.000 0.979 333 N CB 1.498 39.933 38.487 -0.087 0.000 1.141 333 N HN 1.086 nan 8.380 nan 0.000 0.459 334 G N -1.118 107.634 108.800 -0.080 0.000 2.317 334 G HA2 0.521 4.481 3.960 -0.000 0.000 0.445 334 G HA3 0.521 4.481 3.960 -0.000 0.000 0.445 334 G C -1.966 172.939 174.900 0.007 0.000 1.486 334 G CA -0.323 44.778 45.100 0.002 0.000 0.991 334 G HN 0.740 nan 8.290 nan 0.000 0.660 335 A N 0.327 123.150 122.820 0.005 0.000 2.577 335 A HA 0.784 5.104 4.320 -0.000 0.000 0.297 335 A C -0.392 177.165 177.584 -0.044 0.000 1.060 335 A CA -0.642 51.397 52.037 0.003 0.000 0.697 335 A CB 1.029 19.998 19.000 -0.050 0.000 1.281 335 A HN 1.369 nan 8.150 nan 0.000 0.402 336 L N 1.124 122.303 121.223 -0.074 0.000 2.453 336 L HA 0.576 4.916 4.340 -0.000 0.000 0.261 336 L C 1.338 178.320 176.870 0.186 0.000 1.179 336 L CA 0.745 55.531 54.840 -0.090 0.000 0.813 336 L CB 1.025 43.084 42.059 -0.001 0.000 1.110 336 L HN 1.073 nan 8.230 nan 0.000 0.466 337 G N 0.329 109.372 108.800 0.405 0.000 3.668 337 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.185 337 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.185 337 G C 0.671 175.651 174.900 0.133 0.000 1.159 337 G CA -0.249 45.019 45.100 0.279 0.000 0.875 337 G HN 0.383 nan 8.290 nan 0.000 0.689 338 L N 1.233 122.495 121.223 0.066 0.000 2.127 338 L HA 0.157 4.497 4.340 -0.000 0.000 0.211 338 L C 2.207 178.952 176.870 -0.207 0.000 1.089 338 L CA 1.932 56.635 54.840 -0.229 0.000 0.757 338 L CB -0.134 41.522 42.059 -0.673 0.000 0.899 338 L HN 0.407 nan 8.230 nan 0.000 0.434 339 E N -2.082 117.948 120.200 -0.285 0.000 2.415 339 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 339 E C 1.368 177.863 176.600 -0.175 0.000 1.007 339 E CA 0.815 57.025 56.400 -0.317 0.000 0.890 339 E CB 0.341 29.645 29.700 -0.659 0.000 0.891 339 E HN 0.559 nan 8.360 nan 0.000 0.496 340 T N -2.997 111.501 114.554 -0.093 0.000 3.010 340 T HA 0.140 4.490 4.350 -0.000 0.000 0.257 340 T C 1.686 176.319 174.700 -0.112 0.000 1.020 340 T CA 0.220 62.296 62.100 -0.039 0.000 0.938 340 T CB 0.530 69.463 68.868 0.110 0.000 1.049 340 T HN -0.092 nan 8.240 nan 0.000 0.522 341 S N 1.143 116.807 115.700 -0.060 0.000 2.351 341 S HA 0.004 4.474 4.470 -0.000 0.000 0.220 341 S C 1.784 176.344 174.600 -0.066 0.000 1.035 341 S CA 1.066 59.233 58.200 -0.056 0.000 1.031 341 S CB -0.614 62.579 63.200 -0.011 0.000 0.928 341 S HN 0.526 nan 8.310 nan 0.000 0.433 342 L N 2.098 123.293 121.223 -0.047 0.000 2.005 342 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 342 L C -0.786 176.062 176.870 -0.037 0.000 1.072 342 L CA 1.538 56.358 54.840 -0.032 0.000 0.744 342 L CB -1.386 40.660 42.059 -0.021 0.000 0.895 342 L HN 0.321 nan 8.230 nan 0.000 0.433 343 P HA -0.221 nan 4.420 nan 0.000 0.218 343 P C 1.577 178.841 177.300 -0.061 0.000 1.148 343 P CA 1.518 64.595 63.100 -0.038 0.000 0.822 343 P CB -0.060 31.624 31.700 -0.027 0.000 0.784 344 M N -1.411 118.112 119.600 -0.129 0.000 2.132 344 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 344 M C 2.043 178.319 176.300 -0.040 0.000 1.065 344 M CA 1.757 56.950 55.300 -0.179 0.000 1.122 344 M CB -1.094 31.235 32.600 -0.453 0.000 1.365 344 M HN -0.205 nan 8.290 nan 0.000 0.411 345 M N -1.031 118.561 119.600 -0.013 0.000 2.132 345 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 345 M C 2.043 178.392 176.300 0.082 0.000 1.065 345 M CA 1.324 56.669 55.300 0.076 0.000 1.122 345 M CB -1.523 31.097 32.600 0.033 0.000 1.365 345 M HN 0.193 nan 8.290 nan 0.000 0.411 346 L N 0.023 121.262 121.223 0.027 0.000 2.017 346 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 346 L C 2.469 179.348 176.870 0.015 0.000 1.073 346 L CA 1.837 56.685 54.840 0.014 0.000 0.745 346 L CB -1.447 40.613 42.059 0.002 0.000 0.894 346 L HN 0.298 nan 8.230 nan 0.000 0.432 347 T N -0.258 114.303 114.554 0.011 0.000 2.668 347 T HA -0.102 4.248 4.350 -0.000 0.000 0.262 347 T C 1.506 176.205 174.700 -0.000 0.000 1.045 347 T CA 1.525 63.627 62.100 0.004 0.000 1.152 347 T CB -0.140 68.726 68.868 -0.003 0.000 0.864 347 T HN 0.321 nan 8.240 nan 0.000 0.419 348 N N 0.327 119.042 118.700 0.026 0.000 2.336 348 N HA 0.130 4.870 4.740 -0.000 0.000 0.189 348 N C 1.568 177.008 175.510 -0.116 0.000 1.113 348 N CA 0.387 53.426 53.050 -0.019 0.000 0.858 348 N CB 0.418 38.945 38.487 0.066 0.000 0.970 348 N HN 0.451 nan 8.380 nan 0.000 0.471 349 G N 0.481 109.318 108.800 0.061 0.000 2.764 349 G HA2 0.030 3.990 3.960 -0.000 0.000 0.218 349 G HA3 0.030 3.990 3.960 -0.000 0.000 0.218 349 G C 1.438 176.347 174.900 0.015 0.000 1.304 349 G CA 0.060 45.222 45.100 0.104 0.000 0.847 349 G HN 0.023 nan 8.290 nan 0.000 0.610 350 V N 2.039 121.972 119.914 0.032 0.000 2.237 350 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 350 V C 2.365 178.439 176.094 -0.033 0.000 1.046 350 V CA 1.897 64.188 62.300 -0.015 0.000 1.007 350 V CB -0.568 31.231 31.823 -0.040 0.000 0.638 350 V HN 0.264 nan 8.190 nan 0.000 0.445 351 N N -0.159 118.526 118.700 -0.024 0.000 2.609 351 N HA -0.085 4.655 4.740 -0.000 0.000 0.190 351 N C 1.410 176.897 175.510 -0.040 0.000 1.157 351 N CA 0.808 53.845 53.050 -0.022 0.000 0.918 351 N CB -0.154 38.329 38.487 -0.007 0.000 0.978 351 N HN 0.500 nan 8.380 nan 0.000 0.448 352 K N -0.883 119.476 120.400 -0.069 0.000 2.413 352 K HA 0.177 4.497 4.320 -0.000 0.000 0.204 352 K C 0.679 177.211 176.600 -0.113 0.000 1.041 352 K CA 0.207 56.432 56.287 -0.102 0.000 1.082 352 K CB 0.367 32.772 32.500 -0.158 0.000 0.871 352 K HN 0.052 nan 8.250 nan 0.000 0.535 353 G N 2.315 111.066 108.800 -0.082 0.000 2.189 353 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.267 353 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.267 353 G C 0.599 175.455 174.900 -0.074 0.000 0.975 353 G CA 0.796 45.856 45.100 -0.066 0.000 0.644 353 G HN 0.484 nan 8.290 nan 0.000 0.537 354 R N -0.892 119.535 120.500 -0.122 0.000 2.388 354 R HA 0.590 4.930 4.340 -0.000 0.000 0.247 354 R C 0.223 176.554 176.300 0.052 0.000 0.931 354 R CA 0.067 56.109 56.100 -0.098 0.000 1.082 354 R CB 0.375 30.500 30.300 -0.291 0.000 1.135 354 R HN 0.725 nan 8.270 nan 0.000 0.525 355 L N 0.696 121.955 121.223 0.059 0.000 2.526 355 L HA 0.311 4.651 4.340 -0.000 0.000 0.263 355 L C -0.891 176.001 176.870 0.036 0.000 0.943 355 L CA -0.516 54.392 54.840 0.113 0.000 0.859 355 L CB 2.411 44.605 42.059 0.226 0.000 1.313 355 L HN 0.247 nan 8.230 nan 0.000 0.406 356 S N 3.905 119.616 115.700 0.018 0.000 2.610 356 S HA 0.448 4.918 4.470 -0.000 0.000 0.273 356 S C 1.232 175.803 174.600 -0.049 0.000 1.274 356 S CA -0.743 57.442 58.200 -0.024 0.000 1.023 356 S CB 1.188 64.376 63.200 -0.018 0.000 0.962 356 S HN 0.770 nan 8.310 nan 0.000 0.523 357 L N 0.932 122.086 121.223 -0.114 0.000 2.042 357 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 357 L C 2.593 179.409 176.870 -0.089 0.000 1.076 357 L CA 1.644 56.391 54.840 -0.154 0.000 0.749 357 L CB -0.579 41.282 42.059 -0.330 0.000 0.893 357 L HN 0.754 nan 8.230 nan 0.000 0.432 358 E N -0.522 119.639 120.200 -0.066 0.000 2.085 358 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 358 E C 2.157 178.749 176.600 -0.013 0.000 0.994 358 E CA 1.267 57.649 56.400 -0.029 0.000 0.801 358 E CB -0.135 29.556 29.700 -0.015 0.000 0.743 358 E HN 0.267 nan 8.360 nan 0.000 0.453 359 R N 0.540 121.035 120.500 -0.009 0.000 2.090 359 R HA -0.030 4.310 4.340 -0.000 0.000 0.228 359 R C 2.235 178.537 176.300 0.004 0.000 1.110 359 R CA 0.805 56.907 56.100 0.003 0.000 0.973 359 R CB -0.398 29.910 30.300 0.013 0.000 0.869 359 R HN 0.262 nan 8.270 nan 0.000 0.440 360 L N 0.065 121.287 121.223 -0.000 0.000 2.012 360 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 360 L C 1.917 178.788 176.870 0.001 0.000 1.073 360 L CA 1.438 56.279 54.840 0.002 0.000 0.748 360 L CB -0.235 41.820 42.059 -0.007 0.000 0.891 360 L HN 0.111 nan 8.230 nan 0.000 0.431 361 V N -0.107 119.805 119.914 -0.004 0.000 2.515 361 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 361 V C 2.453 178.559 176.094 0.020 0.000 1.058 361 V CA 2.018 64.323 62.300 0.008 0.000 1.064 361 V CB -0.490 31.338 31.823 0.008 0.000 0.675 361 V HN 0.565 nan 8.190 nan 0.000 0.461 362 E N 0.349 120.557 120.200 0.014 0.000 2.047 362 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 362 E C 2.136 178.745 176.600 0.015 0.000 0.987 362 E CA 1.881 58.290 56.400 0.015 0.000 0.799 362 E CB 0.052 29.757 29.700 0.008 0.000 0.752 362 E HN 0.572 nan 8.360 nan 0.000 0.449 363 V N -1.680 118.242 119.914 0.014 0.000 3.129 363 V HA 0.011 4.131 4.120 -0.000 0.000 0.259 363 V C 1.881 177.990 176.094 0.026 0.000 1.116 363 V CA 1.021 63.331 62.300 0.017 0.000 1.127 363 V CB -0.132 31.696 31.823 0.009 0.000 0.742 363 V HN 0.193 nan 8.190 nan 0.000 0.474 364 M N -1.219 118.395 119.600 0.024 0.000 2.367 364 M HA 0.212 4.692 4.480 -0.000 0.000 0.256 364 M C 1.417 177.736 176.300 0.033 0.000 1.091 364 M CA 0.517 55.833 55.300 0.027 0.000 1.049 364 M CB 0.558 33.167 32.600 0.016 0.000 1.406 364 M HN 0.540 nan 8.290 nan 0.000 0.498 365 C N -1.077 118.246 119.300 0.038 0.000 2.726 365 C HA 0.157 4.617 4.460 -0.000 0.000 0.380 365 C C 2.265 177.303 174.990 0.080 0.000 1.691 365 C CA -0.180 58.868 59.018 0.050 0.000 2.388 365 C CB -0.257 27.510 27.740 0.045 0.000 2.227 365 C HN 0.404 nan 8.230 nan 0.000 0.647 366 E N 1.800 122.051 120.200 0.084 0.000 2.007 366 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 366 E C 1.971 178.588 176.600 0.028 0.000 0.999 366 E CA 1.364 57.825 56.400 0.103 0.000 0.811 366 E CB -0.117 29.621 29.700 0.064 0.000 0.762 366 E HN 0.443 nan 8.360 nan 0.000 0.450 367 K N 0.029 120.424 120.400 -0.009 0.000 2.032 367 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 367 K C -0.857 175.734 176.600 -0.015 0.000 1.048 367 K CA 1.752 58.011 56.287 -0.046 0.000 0.927 367 K CB -0.772 31.709 32.500 -0.032 0.000 0.712 367 K HN 0.121 nan 8.250 nan 0.000 0.441 368 P HA -0.220 nan 4.420 nan 0.000 0.215 368 P C 1.060 178.473 177.300 0.188 0.000 1.157 368 P CA 1.914 65.098 63.100 0.139 0.000 0.874 368 P CB -0.019 31.762 31.700 0.135 0.000 0.790 369 A N 0.492 123.394 122.820 0.136 0.000 1.877 369 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 369 A C 2.307 179.980 177.584 0.149 0.000 1.186 369 A CA 2.064 54.196 52.037 0.158 0.000 0.620 369 A CB -1.198 17.919 19.000 0.196 0.000 0.822 369 A HN 0.132 nan 8.150 nan 0.000 0.443 370 K N -0.433 120.001 120.400 0.057 0.000 2.009 370 K HA -0.095 4.225 4.320 -0.000 0.000 0.210 370 K C 1.887 178.419 176.600 -0.113 0.000 1.049 370 K CA 1.613 57.844 56.287 -0.092 0.000 0.929 370 K CB -0.493 31.833 32.500 -0.290 0.000 0.714 370 K HN 0.461 nan 8.250 nan 0.000 0.440 371 L N -0.288 120.822 121.223 -0.188 0.000 2.129 371 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 371 L C 1.913 178.530 176.870 -0.421 0.000 1.087 371 L CA 1.208 55.820 54.840 -0.381 0.000 0.757 371 L CB -0.271 41.452 42.059 -0.559 0.000 0.896 371 L HN 0.127 nan 8.230 nan 0.000 0.434 372 F N -0.577 119.313 119.950 -0.100 0.000 2.765 372 F HA 0.237 4.764 4.527 -0.000 0.000 0.302 372 F C 1.721 177.476 175.800 -0.075 0.000 1.111 372 F CA 0.517 58.460 58.000 -0.095 0.000 1.359 372 F CB 0.066 38.985 39.000 -0.134 0.000 1.097 372 F HN 0.120 nan 8.300 nan 0.000 0.577 373 G N 1.653 110.497 108.800 0.073 0.000 2.160 373 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 373 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 373 G C 0.741 175.670 174.900 0.048 0.000 1.022 373 G CA 0.498 45.630 45.100 0.053 0.000 0.741 373 G HN 0.597 nan 8.290 nan 0.000 0.508 374 I N -3.545 117.061 120.570 0.061 0.000 3.927 374 I HA 0.443 4.613 4.170 -0.000 0.000 0.332 374 I C 1.707 177.840 176.117 0.027 0.000 1.485 374 I CA -0.849 60.446 61.300 -0.008 0.000 1.131 374 I CB -0.285 37.670 38.000 -0.075 0.000 1.092 374 I HN 0.058 nan 8.210 nan 0.000 0.410 375 Y N 4.756 125.033 120.300 -0.039 0.000 2.043 375 Y HA -0.160 4.390 4.550 -0.000 0.000 0.208 375 Y C -0.508 175.370 175.900 -0.037 0.000 0.977 375 Y CA 2.119 60.198 58.100 -0.034 0.000 0.958 375 Y CB -1.858 36.585 38.460 -0.028 0.000 0.921 375 Y HN 0.120 nan 8.280 nan 0.000 0.542 376 P HA -0.353 nan 4.420 nan 0.000 0.222 376 P C 1.375 178.427 177.300 -0.414 0.000 1.155 376 P CA 2.914 65.592 63.100 -0.703 0.000 0.890 376 P CB -0.330 31.194 31.700 -0.294 0.000 0.790 377 Q N -0.584 119.068 119.800 -0.247 0.000 2.020 377 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 377 Q C 0.506 176.404 176.000 -0.170 0.000 0.982 377 Q CA 1.240 56.936 55.803 -0.178 0.000 0.838 377 Q CB 0.119 28.770 28.738 -0.145 0.000 0.899 377 Q HN 0.165 nan 8.270 nan 0.000 0.423 378 K N -1.944 118.364 120.400 -0.153 0.000 2.295 378 K HA 0.405 4.725 4.320 -0.000 0.000 0.239 378 K C 0.336 176.892 176.600 -0.075 0.000 0.991 378 K CA 0.059 56.284 56.287 -0.104 0.000 0.845 378 K CB 1.571 34.022 32.500 -0.082 0.000 1.197 378 K HN 0.346 nan 8.250 nan 0.000 0.441 379 G N 0.156 108.942 108.800 -0.023 0.000 2.241 379 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 379 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 379 G C 0.083 175.017 174.900 0.056 0.000 0.998 379 G CA 0.645 45.779 45.100 0.056 0.000 0.621 379 G HN 0.861 nan 8.290 nan 0.000 0.519 380 T N -2.382 112.141 114.554 -0.051 0.000 2.769 380 T HA 0.649 4.999 4.350 -0.000 0.000 0.306 380 T C -1.337 173.319 174.700 -0.073 0.000 1.400 380 T CA -0.879 61.199 62.100 -0.037 0.000 1.007 380 T CB 2.052 70.900 68.868 -0.034 0.000 1.392 380 T HN 0.570 nan 8.240 nan 0.000 0.500 381 L N 2.020 123.218 121.223 -0.041 0.000 2.426 381 L HA 0.507 4.847 4.340 -0.000 0.000 0.255 381 L C 0.080 176.922 176.870 -0.046 0.000 1.080 381 L CA -0.025 54.789 54.840 -0.044 0.000 0.960 381 L CB -0.058 41.988 42.059 -0.022 0.000 1.326 381 L HN 0.722 nan 8.230 nan 0.000 0.441 382 Q N 0.328 120.086 119.800 -0.071 0.000 2.445 382 Q HA 0.557 4.897 4.340 -0.000 0.000 0.281 382 Q C -0.655 175.311 176.000 -0.057 0.000 1.101 382 Q CA -1.120 54.649 55.803 -0.057 0.000 0.833 382 Q CB 3.054 31.752 28.738 -0.067 0.000 1.416 382 Q HN 0.063 nan 8.270 nan 0.000 0.451 383 V N 1.237 121.126 119.914 -0.041 0.000 2.540 383 V HA 0.181 4.301 4.120 -0.000 0.000 0.297 383 V C 1.124 177.193 176.094 -0.041 0.000 1.024 383 V CA 2.157 64.437 62.300 -0.033 0.000 1.105 383 V CB 0.174 31.986 31.823 -0.017 0.000 0.938 383 V HN 1.116 nan 8.190 nan 0.000 0.482 384 G N 3.990 112.766 108.800 -0.040 0.000 2.259 384 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 384 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 384 G C 0.391 175.248 174.900 -0.073 0.000 1.001 384 G CA 0.082 45.153 45.100 -0.049 0.000 0.627 384 G HN 0.734 nan 8.290 nan 0.000 0.501 385 S N 1.377 117.022 115.700 -0.091 0.000 2.614 385 S HA 0.503 4.973 4.470 -0.000 0.000 0.265 385 S C -0.146 174.405 174.600 -0.082 0.000 1.303 385 S CA -0.486 57.645 58.200 -0.114 0.000 1.000 385 S CB 1.045 64.161 63.200 -0.140 0.000 0.935 385 S HN 0.326 nan 8.310 nan 0.000 0.551 386 D N 1.543 121.891 120.400 -0.087 0.000 2.424 386 D HA 0.296 4.936 4.640 -0.000 0.000 0.244 386 D C 0.010 176.283 176.300 -0.045 0.000 1.134 386 D CA 0.041 54.003 54.000 -0.063 0.000 0.881 386 D CB 0.556 41.312 40.800 -0.073 0.000 1.191 386 D HN 0.592 nan 8.370 nan 0.000 0.445 387 A N 2.818 125.624 122.820 -0.023 0.000 2.906 387 A HA 0.123 4.443 4.320 -0.000 0.000 0.289 387 A C -0.498 177.085 177.584 -0.001 0.000 1.675 387 A CA -0.275 51.755 52.037 -0.013 0.000 1.372 387 A CB -0.322 18.678 19.000 -0.000 0.000 1.091 387 A HN 0.240 nan 8.150 nan 0.000 0.579 388 D N 2.582 122.976 120.400 -0.011 0.000 2.460 388 D HA 0.512 5.152 4.640 -0.000 0.000 0.232 388 D C -0.222 176.078 176.300 0.000 0.000 1.079 388 D CA -0.018 53.982 54.000 0.000 0.000 0.864 388 D CB 1.172 41.966 40.800 -0.010 0.000 1.048 388 D HN 0.225 nan 8.370 nan 0.000 0.523 389 L N 0.679 121.906 121.223 0.007 0.000 2.256 389 L HA 0.659 4.998 4.340 -0.000 0.000 0.261 389 L C -0.342 176.535 176.870 0.012 0.000 1.022 389 L CA -1.139 53.706 54.840 0.008 0.000 0.828 389 L CB 0.279 42.342 42.059 0.007 0.000 1.374 389 L HN 0.171 nan 8.230 nan 0.000 0.436 390 L N 1.628 122.861 121.223 0.018 0.000 2.438 390 L HA 0.559 4.899 4.340 -0.000 0.000 0.270 390 L C -0.835 176.053 176.870 0.031 0.000 0.972 390 L CA -0.343 54.509 54.840 0.020 0.000 0.831 390 L CB 2.608 44.679 42.059 0.021 0.000 1.273 390 L HN 0.427 nan 8.230 nan 0.000 0.405 391 I N 3.712 124.297 120.570 0.026 0.000 2.315 391 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 391 I C -0.432 175.712 176.117 0.045 0.000 1.006 391 I CA -0.566 60.754 61.300 0.033 0.000 1.265 391 I CB 1.532 39.541 38.000 0.014 0.000 1.387 391 I HN 0.304 nan 8.210 nan 0.000 0.475 392 L N 6.137 127.407 121.223 0.079 0.000 2.387 392 L HA 0.463 4.803 4.340 -0.000 0.000 0.266 392 L C -0.019 176.904 176.870 0.089 0.000 1.059 392 L CA -0.007 54.887 54.840 0.091 0.000 0.801 392 L CB 0.797 42.939 42.059 0.138 0.000 1.223 392 L HN 0.464 nan 8.230 nan 0.000 0.456 393 D N 1.297 121.744 120.400 0.078 0.000 2.386 393 D HA 0.174 4.814 4.640 -0.000 0.000 0.247 393 D C -0.361 175.984 176.300 0.074 0.000 1.336 393 D CA -0.310 53.730 54.000 0.067 0.000 0.976 393 D CB 1.148 41.971 40.800 0.038 0.000 1.257 393 D HN 0.163 nan 8.370 nan 0.000 0.570 394 L N 2.639 123.926 121.223 0.107 0.000 2.627 394 L HA 0.203 4.543 4.340 -0.000 0.000 0.232 394 L C 0.673 177.581 176.870 0.063 0.000 1.150 394 L CA 0.503 55.398 54.840 0.091 0.000 0.917 394 L CB -0.889 41.249 42.059 0.132 0.000 1.104 394 L HN 0.358 nan 8.230 nan 0.000 0.445 395 D N 0.103 120.533 120.400 0.051 0.000 2.886 395 D HA 0.236 4.876 4.640 -0.000 0.000 0.355 395 D C -0.062 176.254 176.300 0.026 0.000 1.274 395 D CA -0.028 53.993 54.000 0.035 0.000 0.836 395 D CB 0.508 41.327 40.800 0.031 0.000 1.109 395 D HN -0.188 nan 8.370 nan 0.000 0.488 396 I N 0.508 121.094 120.570 0.026 0.000 2.822 396 I HA 0.469 4.639 4.170 -0.000 0.000 0.312 396 I C -0.255 175.874 176.117 0.020 0.000 1.011 396 I CA -0.875 60.438 61.300 0.022 0.000 1.105 396 I CB 1.855 39.869 38.000 0.024 0.000 1.291 396 I HN 0.115 nan 8.210 nan 0.000 0.474 397 D N 1.673 122.085 120.400 0.019 0.000 2.602 397 D HA 0.555 5.195 4.640 -0.000 0.000 0.245 397 D C -0.780 175.532 176.300 0.020 0.000 1.325 397 D CA 0.000 54.011 54.000 0.018 0.000 0.952 397 D CB 1.275 42.084 40.800 0.015 0.000 1.317 397 D HN 0.662 nan 8.370 nan 0.000 0.577 398 T N 1.572 116.141 114.554 0.024 0.000 2.658 398 T HA 0.451 4.800 4.350 -0.000 0.000 0.305 398 T C -1.802 172.919 174.700 0.035 0.000 1.551 398 T CA -0.762 61.355 62.100 0.028 0.000 0.985 398 T CB 0.928 69.814 68.868 0.031 0.000 1.731 398 T HN 0.137 nan 8.240 nan 0.000 0.486 399 K N 1.020 121.444 120.400 0.041 0.000 2.340 399 K HA 0.616 4.936 4.320 -0.000 0.000 0.244 399 K C -0.819 175.823 176.600 0.069 0.000 0.973 399 K CA -0.693 55.624 56.287 0.050 0.000 0.828 399 K CB 2.001 34.526 32.500 0.041 0.000 1.226 399 K HN 0.547 nan 8.250 nan 0.000 0.437 400 V N 1.303 121.272 119.914 0.093 0.000 2.488 400 V HA 0.186 4.306 4.120 -0.000 0.000 0.277 400 V C -0.719 175.426 176.094 0.084 0.000 1.046 400 V CA -0.015 62.368 62.300 0.139 0.000 0.986 400 V CB 0.828 32.779 31.823 0.212 0.000 0.989 400 V HN 0.666 nan 8.190 nan 0.000 0.475 401 D N 5.264 125.704 120.400 0.066 0.000 2.462 401 D HA 0.538 5.178 4.640 -0.000 0.000 0.249 401 D C 0.864 177.036 176.300 -0.213 0.000 1.117 401 D CA 0.205 54.182 54.000 -0.038 0.000 0.900 401 D CB 1.395 42.195 40.800 -0.001 0.000 1.039 401 D HN 0.708 nan 8.370 nan 0.000 0.516 402 A N 2.541 125.074 122.820 -0.478 0.000 1.997 402 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 402 A C 2.061 179.206 177.584 -0.733 0.000 1.172 402 A CA 2.189 53.527 52.037 -1.165 0.000 0.645 402 A CB -0.524 18.004 19.000 -0.787 0.000 0.813 402 A HN 0.583 nan 8.150 nan 0.000 0.454 403 S N -1.413 114.105 115.700 -0.303 0.000 2.474 403 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 403 S C 1.486 176.065 174.600 -0.035 0.000 0.997 403 S CA 1.067 59.192 58.200 -0.126 0.000 0.949 403 S CB -0.149 63.009 63.200 -0.071 0.000 0.766 403 S HN 0.560 nan 8.310 nan 0.000 0.517 404 Q N 0.156 119.952 119.800 -0.007 0.000 2.392 404 Q HA 0.341 4.681 4.340 -0.000 0.000 0.203 404 Q C -0.399 175.750 176.000 0.248 0.000 0.917 404 Q CA -0.156 55.709 55.803 0.103 0.000 0.939 404 Q CB -0.297 28.503 28.738 0.104 0.000 1.063 404 Q HN 0.499 nan 8.270 nan 0.000 0.516 405 F N 1.801 121.770 119.950 0.032 0.000 2.629 405 F HA -0.062 4.465 4.527 -0.000 0.000 0.369 405 F C 1.663 177.480 175.800 0.029 0.000 1.125 405 F CA 0.264 58.284 58.000 0.035 0.000 1.330 405 F CB 0.448 39.471 39.000 0.039 0.000 1.071 405 F HN -0.039 nan 8.300 nan 0.000 0.595 406 R N 0.700 121.299 120.500 0.165 0.000 2.276 406 R HA 0.017 4.357 4.340 -0.000 0.000 0.196 406 R C 0.831 177.177 176.300 0.077 0.000 0.961 406 R CA 0.329 56.482 56.100 0.087 0.000 1.024 406 R CB -0.825 29.494 30.300 0.032 0.000 0.940 406 R HN 0.605 nan 8.270 nan 0.000 0.480 407 S N 0.490 116.252 115.700 0.102 0.000 2.617 407 S HA 0.050 4.520 4.470 -0.000 0.000 0.259 407 S C 1.421 176.067 174.600 0.075 0.000 1.301 407 S CA -0.657 57.603 58.200 0.100 0.000 0.984 407 S CB 0.901 64.202 63.200 0.169 0.000 0.954 407 S HN 0.077 nan 8.310 nan 0.000 0.572 408 L N 0.831 122.060 121.223 0.009 0.000 2.012 408 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 408 L C 0.950 177.717 176.870 -0.172 0.000 1.073 408 L CA 1.834 56.598 54.840 -0.127 0.000 0.748 408 L CB -0.840 41.066 42.059 -0.255 0.000 0.891 408 L HN 0.693 nan 8.230 nan 0.000 0.431 409 H N -0.043 119.068 119.070 0.069 0.000 2.482 409 H HA 0.323 4.879 4.556 -0.000 0.000 0.344 409 H C -0.115 175.246 175.328 0.055 0.000 1.151 409 H CA -0.353 55.725 56.048 0.049 0.000 1.300 409 H CB 1.207 30.940 29.762 -0.048 0.000 1.494 409 H HN -0.039 nan 8.280 nan 0.000 0.542 410 K N 2.431 122.958 120.400 0.210 0.000 3.122 410 K HA 0.174 4.494 4.320 -0.000 0.000 0.193 410 K C -1.359 175.223 176.600 -0.031 0.000 1.141 410 K CA -0.292 56.033 56.287 0.064 0.000 0.975 410 K CB 0.035 32.568 32.500 0.055 0.000 1.173 410 K HN 0.434 nan 8.250 nan 0.000 0.546 411 Y N -3.154 117.094 120.300 -0.086 0.000 2.597 411 Y HA 0.810 5.360 4.550 -0.000 0.000 0.340 411 Y C -0.605 175.219 175.900 -0.126 0.000 1.097 411 Y CA -1.423 56.537 58.100 -0.234 0.000 1.037 411 Y CB 1.718 40.009 38.460 -0.282 0.000 1.305 411 Y HN -0.060 nan 8.280 nan 0.000 0.463 412 S N 0.840 116.533 115.700 -0.012 0.000 2.543 412 S HA 0.467 4.937 4.470 -0.000 0.000 0.274 412 S C -2.771 171.808 174.600 -0.035 0.000 1.149 412 S CA -1.145 57.090 58.200 0.059 0.000 0.866 412 S CB 1.629 64.963 63.200 0.224 0.000 1.111 412 S HN 0.468 nan 8.310 nan 0.000 0.457 413 P HA 0.097 nan 4.420 nan 0.000 0.222 413 P C 0.498 177.613 177.300 -0.309 0.000 1.147 413 P CA 0.921 63.833 63.100 -0.313 0.000 0.790 413 P CB -0.058 31.283 31.700 -0.598 0.000 0.780 414 F N -1.406 118.601 119.950 0.096 0.000 2.765 414 F HA 0.155 4.682 4.527 -0.000 0.000 0.302 414 F C 0.852 176.692 175.800 0.067 0.000 1.111 414 F CA -0.942 57.112 58.000 0.091 0.000 1.359 414 F CB -1.206 37.865 39.000 0.119 0.000 1.097 414 F HN -0.167 nan 8.300 nan 0.000 0.577 415 D N 0.347 120.828 120.400 0.135 0.000 2.583 415 D HA 0.263 4.903 4.640 -0.000 0.000 0.232 415 D C 1.437 177.773 176.300 0.060 0.000 1.128 415 D CA 1.779 55.804 54.000 0.043 0.000 0.859 415 D CB 0.563 41.323 40.800 -0.067 0.000 1.169 415 D HN 0.434 nan 8.370 nan 0.000 0.481 416 G N 3.080 111.910 108.800 0.051 0.000 2.284 416 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.247 416 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.247 416 G C 0.680 175.623 174.900 0.071 0.000 1.012 416 G CA 0.360 45.489 45.100 0.048 0.000 0.618 416 G HN 0.556 nan 8.290 nan 0.000 0.521 417 M N 2.978 122.645 119.600 0.111 0.000 2.248 417 M HA 0.283 4.763 4.480 -0.000 0.000 0.337 417 M C -1.567 174.782 176.300 0.082 0.000 1.121 417 M CA -1.151 54.216 55.300 0.111 0.000 1.155 417 M CB 0.431 33.132 32.600 0.169 0.000 1.514 417 M HN 0.085 nan 8.290 nan 0.000 0.452 418 P HA 0.180 nan 4.420 nan 0.000 0.274 418 P C -1.205 176.117 177.300 0.035 0.000 1.231 418 P CA -0.264 62.862 63.100 0.043 0.000 0.790 418 P CB 0.792 32.512 31.700 0.033 0.000 0.951 419 V N 2.472 122.404 119.914 0.030 0.000 2.482 419 V HA 0.249 4.369 4.120 -0.000 0.000 0.295 419 V C 1.180 177.286 176.094 0.019 0.000 1.026 419 V CA -0.184 62.129 62.300 0.022 0.000 0.856 419 V CB 1.446 33.287 31.823 0.029 0.000 1.001 419 V HN 0.742 nan 8.190 nan 0.000 0.424 420 T N -0.098 114.465 114.554 0.014 0.000 3.044 420 T HA 0.439 4.789 4.350 -0.000 0.000 0.260 420 T C 0.574 175.286 174.700 0.020 0.000 1.019 420 T CA 0.394 62.504 62.100 0.016 0.000 0.921 420 T CB 0.620 69.496 68.868 0.012 0.000 1.053 420 T HN 0.962 nan 8.240 nan 0.000 0.533 421 G N -0.102 108.709 108.800 0.018 0.000 2.746 421 G HA2 0.741 4.701 3.960 -0.000 0.000 0.297 421 G HA3 0.741 4.701 3.960 -0.000 0.000 0.297 421 G C -1.472 173.439 174.900 0.019 0.000 1.426 421 G CA -0.389 44.725 45.100 0.024 0.000 0.989 421 G HN 0.720 nan 8.290 nan 0.000 0.520 422 A N 2.040 124.875 122.820 0.024 0.000 2.583 422 A HA 0.908 5.228 4.320 -0.000 0.000 0.292 422 A C -3.221 174.376 177.584 0.022 0.000 1.045 422 A CA -1.061 50.986 52.037 0.017 0.000 0.672 422 A CB 1.733 20.742 19.000 0.015 0.000 1.283 422 A HN 0.614 nan 8.150 nan 0.000 0.419 423 P HA 0.318 nan 4.420 nan 0.000 0.276 423 P C 0.603 177.911 177.300 0.013 0.000 1.230 423 P CA 0.192 63.302 63.100 0.017 0.000 0.776 423 P CB 1.244 32.949 31.700 0.008 0.000 0.888 424 V N 1.199 121.123 119.914 0.015 0.000 3.528 424 V HA 0.363 4.483 4.120 -0.000 0.000 0.294 424 V C 0.192 176.288 176.094 0.003 0.000 1.404 424 V CA 0.234 62.540 62.300 0.010 0.000 1.065 424 V CB 0.476 32.306 31.823 0.012 0.000 0.904 424 V HN 0.395 nan 8.190 nan 0.000 0.435 425 L N 1.653 122.877 121.223 0.003 0.000 2.565 425 L HA 0.743 5.083 4.340 -0.000 0.000 0.261 425 L C -1.339 175.531 176.870 -0.001 0.000 0.932 425 L CA 0.695 55.533 54.840 -0.003 0.000 0.878 425 L CB 1.569 43.626 42.059 -0.003 0.000 1.333 425 L HN 0.424 nan 8.230 nan 0.000 0.409 426 T N 4.848 119.398 114.554 -0.007 0.000 2.928 426 T HA 0.752 5.102 4.350 -0.000 0.000 0.296 426 T C -0.650 174.048 174.700 -0.003 0.000 1.000 426 T CA -0.567 61.532 62.100 -0.002 0.000 0.989 426 T CB 1.036 69.903 68.868 -0.002 0.000 1.005 426 T HN 0.781 nan 8.240 nan 0.000 0.442 427 M N 3.830 123.435 119.600 0.009 0.000 2.518 427 M HA 0.854 5.334 4.480 -0.000 0.000 0.300 427 M C -1.266 175.066 176.300 0.053 0.000 1.175 427 M CA -1.157 54.155 55.300 0.020 0.000 0.890 427 M CB 2.374 34.982 32.600 0.013 0.000 1.710 427 M HN 0.496 nan 8.290 nan 0.000 0.453 428 V N 1.947 121.929 119.914 0.113 0.000 2.588 428 V HA 0.623 4.743 4.120 -0.000 0.000 0.304 428 V C 0.104 176.303 176.094 0.174 0.000 1.042 428 V CA -0.425 61.959 62.300 0.140 0.000 0.877 428 V CB 1.776 33.712 31.823 0.189 0.000 0.996 428 V HN 1.078 nan 8.190 nan 0.000 0.425 429 R N 4.278 124.825 120.500 0.078 0.000 3.322 429 R HA -0.180 4.160 4.340 -0.000 0.000 0.253 429 R C 1.235 177.588 176.300 0.088 0.000 0.987 429 R CA 0.914 57.048 56.100 0.057 0.000 0.666 429 R CB -1.704 28.607 30.300 0.018 0.000 1.072 429 R HN 2.254 nan 8.270 nan 0.000 0.447 430 G N -1.049 107.791 108.800 0.068 0.000 2.184 430 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 430 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 430 G C 0.113 175.051 174.900 0.063 0.000 0.975 430 G CA 0.815 45.950 45.100 0.058 0.000 0.642 430 G HN 0.824 nan 8.290 nan 0.000 0.536 431 T N -1.516 113.091 114.554 0.088 0.000 2.841 431 T HA 0.620 4.970 4.350 -0.000 0.000 0.283 431 T C 0.048 174.723 174.700 -0.041 0.000 1.000 431 T CA -0.115 61.999 62.100 0.023 0.000 0.977 431 T CB 2.154 71.035 68.868 0.022 0.000 0.979 431 T HN 0.827 nan 8.240 nan 0.000 0.446 432 V N 5.809 125.684 119.914 -0.065 0.000 2.425 432 V HA 0.112 4.232 4.120 -0.000 0.000 0.276 432 V C 1.761 177.770 176.094 -0.141 0.000 1.017 432 V CA 0.358 62.613 62.300 -0.074 0.000 1.062 432 V CB 0.292 32.082 31.823 -0.055 0.000 0.997 432 V HN 0.906 nan 8.190 nan 0.000 0.476 433 V N 2.151 121.985 119.914 -0.133 0.000 3.307 433 V HA 0.649 4.769 4.120 -0.000 0.000 0.253 433 V C 0.750 176.782 176.094 -0.104 0.000 1.149 433 V CA 0.782 62.972 62.300 -0.182 0.000 1.112 433 V CB 0.068 31.804 31.823 -0.145 0.000 0.777 433 V HN 0.878 nan 8.190 nan 0.000 0.464 434 A N 0.257 123.038 122.820 -0.064 0.000 2.488 434 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 434 A C -0.923 176.642 177.584 -0.032 0.000 1.045 434 A CA -0.352 51.659 52.037 -0.043 0.000 0.703 434 A CB 1.702 20.684 19.000 -0.030 0.000 1.271 434 A HN 0.456 nan 8.150 nan 0.000 0.400 435 E N 2.244 122.428 120.200 -0.027 0.000 2.263 435 E HA 0.471 4.821 4.350 -0.000 0.000 0.268 435 E C -0.574 176.019 176.600 -0.011 0.000 0.884 435 E CA -0.661 55.728 56.400 -0.019 0.000 0.766 435 E CB 0.773 30.460 29.700 -0.022 0.000 1.196 435 E HN 0.707 nan 8.360 nan 0.000 0.416 436 K N 3.053 123.450 120.400 -0.005 0.000 3.834 436 K HA -0.282 4.037 4.320 -0.000 0.000 0.276 436 K C 0.617 177.219 176.600 0.003 0.000 0.850 436 K CA 0.887 57.174 56.287 0.001 0.000 0.704 436 K CB -2.455 30.046 32.500 0.001 0.000 1.644 436 K HN 1.036 nan 8.250 nan 0.000 0.440 437 G N -0.562 108.240 108.800 0.003 0.000 2.184 437 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 437 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 437 G C -0.253 174.649 174.900 0.004 0.000 0.975 437 G CA 0.583 45.688 45.100 0.008 0.000 0.642 437 G HN 0.586 nan 8.290 nan 0.000 0.536 438 E N 0.238 120.434 120.200 -0.006 0.000 2.158 438 E HA 0.498 4.848 4.350 -0.000 0.000 0.271 438 E C -0.035 176.551 176.600 -0.023 0.000 0.911 438 E CA -0.615 55.779 56.400 -0.011 0.000 0.767 438 E CB 2.285 31.977 29.700 -0.013 0.000 1.120 438 E HN 0.105 nan 8.360 nan 0.000 0.405 439 V N 4.774 124.674 119.914 -0.023 0.000 2.530 439 V HA 0.113 4.233 4.120 -0.000 0.000 0.282 439 V C 1.047 177.109 176.094 -0.052 0.000 1.048 439 V CA 0.019 62.295 62.300 -0.039 0.000 0.997 439 V CB 0.719 32.525 31.823 -0.028 0.000 0.987 439 V HN 0.589 nan 8.190 nan 0.000 0.477 440 L N 5.200 126.373 121.223 -0.083 0.000 3.014 440 L HA 0.420 4.760 4.340 -0.000 0.000 0.263 440 L C -0.026 176.760 176.870 -0.140 0.000 1.207 440 L CA 0.275 55.059 54.840 -0.095 0.000 1.017 440 L CB 0.856 42.858 42.059 -0.095 0.000 1.360 440 L HN 0.448 nan 8.230 nan 0.000 0.560 441 V N 0.509 120.326 119.914 -0.162 0.000 2.823 441 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 441 V C -0.730 175.313 176.094 -0.085 0.000 1.072 441 V CA -0.621 61.548 62.300 -0.220 0.000 0.937 441 V CB 2.605 34.118 31.823 -0.518 0.000 1.013 441 V HN 0.317 nan 8.190 nan 0.000 0.430 442 E N 3.788 123.969 120.200 -0.031 0.000 2.349 442 E HA 0.353 4.703 4.350 -0.000 0.000 0.262 442 E C -0.291 176.356 176.600 0.079 0.000 1.088 442 E CA -0.590 55.826 56.400 0.027 0.000 0.899 442 E CB 0.172 29.892 29.700 0.034 0.000 1.044 442 E HN 0.709 nan 8.360 nan 0.000 0.420 443 Q N 0.443 120.281 119.800 0.064 0.000 2.330 443 Q HA 0.315 4.655 4.340 -0.000 0.000 0.279 443 Q C 0.552 176.603 176.000 0.085 0.000 1.024 443 Q CA 0.158 56.005 55.803 0.074 0.000 0.900 443 Q CB 0.249 29.019 28.738 0.053 0.000 1.221 443 Q HN 0.935 nan 8.270 nan 0.000 0.396 444 G N 2.195 111.046 108.800 0.085 0.000 2.213 444 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.226 444 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.226 444 G C 0.118 175.078 174.900 0.101 0.000 0.992 444 G CA 0.108 45.248 45.100 0.065 0.000 0.632 444 G HN 0.730 nan 8.290 nan 0.000 0.511 445 F N 2.581 122.541 119.950 0.017 0.000 2.202 445 F HA 0.244 4.771 4.527 -0.000 0.000 0.301 445 F C 1.844 177.670 175.800 0.042 0.000 1.082 445 F CA 1.658 59.671 58.000 0.022 0.000 1.313 445 F CB -0.472 38.536 39.000 0.013 0.000 1.024 445 F HN 0.381 nan 8.300 nan 0.000 0.495 446 G N 1.945 110.725 108.800 -0.033 0.000 2.380 446 G HA2 0.277 4.237 3.960 -0.000 0.000 0.242 446 G HA3 0.277 4.237 3.960 -0.000 0.000 0.242 446 G C -0.716 174.198 174.900 0.023 0.000 1.298 446 G CA -0.555 44.522 45.100 -0.038 0.000 0.878 446 G HN 0.319 nan 8.290 nan 0.000 0.542 447 Q N 0.573 120.307 119.800 -0.109 0.000 2.257 447 Q HA 0.316 4.656 4.340 -0.000 0.000 0.262 447 Q C -0.872 174.831 176.000 -0.496 0.000 0.997 447 Q CA -0.888 54.817 55.803 -0.163 0.000 0.873 447 Q CB 2.492 31.087 28.738 -0.238 0.000 1.312 447 Q HN 0.502 nan 8.270 nan 0.000 0.450 448 F N 1.985 121.467 119.950 -0.780 0.000 2.443 448 F HA 0.327 4.854 4.527 -0.000 0.000 0.353 448 F C -0.351 175.046 175.800 -0.671 0.000 1.101 448 F CA -0.542 56.730 58.000 -1.214 0.000 1.226 448 F CB 0.656 39.270 39.000 -0.643 0.000 1.140 448 F HN 0.238 nan 8.300 nan 0.000 0.557 449 V N 5.289 124.473 119.914 -1.217 0.000 2.769 449 V HA 0.872 4.992 4.120 -0.000 0.000 0.312 449 V C -0.738 174.742 176.094 -1.024 0.000 1.061 449 V CA 0.336 62.128 62.300 -0.847 0.000 0.931 449 V CB 1.708 33.218 31.823 -0.521 0.000 1.010 449 V HN 1.078 nan 8.190 nan 0.000 0.433 450 T N 3.368 117.533 114.554 -0.649 0.000 2.627 450 T HA 0.736 5.086 4.350 -0.000 0.000 0.294 450 T C -0.510 174.042 174.700 -0.247 0.000 1.230 450 T CA 0.204 62.012 62.100 -0.487 0.000 1.084 450 T CB 1.074 69.657 68.868 -0.475 0.000 1.693 450 T HN 1.828 nan 8.240 nan 0.000 0.465 451 R N 0.000 120.404 120.500 -0.159 0.000 2.786 451 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 451 R CA 0.000 56.049 56.100 -0.084 0.000 0.921 451 R CB 0.000 30.254 30.300 -0.076 0.000 0.687 451 R HN 0.000 nan 8.270 nan 0.000 0.535