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 1v1b_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE L 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 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 L N 3.876 125.045 121.223 -0.090 0.000 2.467 2 L HA 0.144 4.484 4.340 0.001 0.000 0.270 2 L C 0.903 177.715 176.870 -0.097 0.000 1.205 2 L CA 0.320 55.095 54.840 -0.109 0.000 0.828 2 L CB 0.553 42.489 42.059 -0.206 0.000 1.101 2 L HN 0.807 nan 8.230 nan 0.000 0.479 3 E N 0.843 120.999 120.200 -0.073 0.000 2.175 3 E HA 0.127 4.478 4.350 0.001 0.000 0.195 3 E C -0.547 176.030 176.600 -0.039 0.000 0.934 3 E CA 0.332 56.697 56.400 -0.058 0.000 0.870 3 E CB 0.786 30.458 29.700 -0.046 0.000 0.838 3 E HN 0.356 nan 8.360 nan 0.000 0.474 4 V N 1.467 121.360 119.914 -0.035 0.000 2.735 4 V HA 0.376 4.497 4.120 0.001 0.000 0.310 4 V C -0.716 175.366 176.094 -0.021 0.000 1.061 4 V CA -0.865 61.441 62.300 0.009 0.000 0.913 4 V CB 2.343 34.173 31.823 0.013 0.000 1.005 4 V HN -0.127 nan 8.190 nan 0.000 0.428 5 V N 3.010 122.928 119.914 0.006 0.000 2.577 5 V HA 0.713 4.834 4.120 0.001 0.000 0.303 5 V C 0.008 176.141 176.094 0.065 0.000 1.042 5 V CA -0.275 62.027 62.300 0.003 0.000 0.872 5 V CB 2.262 34.035 31.823 -0.083 0.000 0.998 5 V HN 1.083 nan 8.190 nan 0.000 0.423 6 T N 1.841 116.452 114.554 0.096 0.000 2.930 6 T HA 0.970 5.321 4.350 0.001 0.000 0.290 6 T C -0.538 174.175 174.700 0.021 0.000 1.052 6 T CA -0.345 61.834 62.100 0.131 0.000 1.017 6 T CB 2.313 71.327 68.868 0.243 0.000 1.137 6 T HN 1.420 nan 8.240 nan 0.000 0.511 7 A N -0.109 122.721 122.820 0.016 0.000 2.604 7 A HA 1.005 5.326 4.320 0.001 0.000 0.295 7 A C -0.004 177.567 177.584 -0.022 0.000 1.067 7 A CA -0.202 51.748 52.037 -0.144 0.000 0.683 7 A CB 1.229 20.237 19.000 0.014 0.000 1.281 7 A HN 2.098 nan 8.150 nan 0.000 0.407 8 G N -0.281 108.453 108.800 -0.110 0.000 2.336 8 G HA2 0.446 4.407 3.960 0.001 0.000 0.286 8 G HA3 0.446 4.407 3.960 0.001 0.000 0.286 8 G C -1.538 173.392 174.900 0.050 0.000 1.269 8 G CA -0.169 44.931 45.100 -0.000 0.000 0.873 8 G HN 0.872 nan 8.290 nan 0.000 0.494 9 E N 0.862 121.099 120.200 0.061 0.000 2.134 9 E HA 0.550 4.901 4.350 0.001 0.000 0.278 9 E C -2.391 174.293 176.600 0.140 0.000 0.959 9 E CA -1.753 54.694 56.400 0.077 0.000 0.783 9 E CB 1.783 31.477 29.700 -0.011 0.000 1.095 9 E HN 0.106 nan 8.360 nan 0.000 0.399 10 P HA 0.276 nan 4.420 nan 0.000 0.277 10 P C -0.937 176.425 177.300 0.103 0.000 1.240 10 P CA -0.222 62.939 63.100 0.101 0.000 0.798 10 P CB 0.825 32.568 31.700 0.071 0.000 0.979 11 L N 0.649 121.942 121.223 0.117 0.000 2.415 11 L HA 0.527 4.868 4.340 0.001 0.000 0.256 11 L C -0.891 176.055 176.870 0.127 0.000 1.010 11 L CA -1.202 53.743 54.840 0.175 0.000 0.826 11 L CB 2.376 44.629 42.059 0.323 0.000 1.405 11 L HN -0.008 nan 8.230 nan 0.000 0.410 12 V N 1.447 121.413 119.914 0.087 0.000 2.398 12 V HA 0.651 4.772 4.120 0.001 0.000 0.286 12 V C 0.107 176.088 176.094 -0.189 0.000 1.026 12 V CA -0.508 61.791 62.300 -0.001 0.000 0.868 12 V CB 1.555 33.385 31.823 0.013 0.000 0.982 12 V HN 0.792 nan 8.190 nan 0.000 0.443 13 A N 6.710 129.383 122.820 -0.245 0.000 2.274 13 A HA 0.821 5.142 4.320 0.001 0.000 0.309 13 A C -0.608 176.830 177.584 -0.243 0.000 1.226 13 A CA -0.471 51.228 52.037 -0.562 0.000 0.853 13 A CB 0.364 19.159 19.000 -0.343 0.000 1.146 13 A HN 0.819 nan 8.150 nan 0.000 0.518 14 L N 3.636 124.688 121.223 -0.285 0.000 2.276 14 L HA 0.591 4.932 4.340 0.001 0.000 0.286 14 L C -0.910 175.955 176.870 -0.008 0.000 1.024 14 L CA -0.754 54.022 54.840 -0.107 0.000 0.826 14 L CB 1.119 43.117 42.059 -0.101 0.000 1.211 14 L HN 0.409 nan 8.230 nan 0.000 0.422 15 V N 2.935 122.906 119.914 0.094 0.000 2.656 15 V HA 0.518 4.639 4.120 0.001 0.000 0.307 15 V C -2.188 173.998 176.094 0.153 0.000 1.051 15 V CA -1.883 60.524 62.300 0.178 0.000 0.893 15 V CB 2.075 34.093 31.823 0.326 0.000 0.999 15 V HN 0.550 nan 8.190 nan 0.000 0.426 16 P HA 0.187 nan 4.420 nan 0.000 0.272 16 P C 0.011 177.386 177.300 0.124 0.000 1.230 16 P CA -0.111 63.055 63.100 0.109 0.000 0.788 16 P CB 1.116 32.879 31.700 0.104 0.000 0.949 17 Q N -0.306 119.543 119.800 0.082 0.000 2.224 17 Q HA -0.082 4.259 4.340 0.001 0.000 0.203 17 Q C 1.002 177.041 176.000 0.065 0.000 0.970 17 Q CA 1.127 56.972 55.803 0.070 0.000 0.865 17 Q CB 0.109 28.872 28.738 0.041 0.000 0.922 17 Q HN 0.606 nan 8.270 nan 0.000 0.445 18 E N -0.216 120.026 120.200 0.070 0.000 2.459 18 E HA 0.397 4.748 4.350 0.001 0.000 0.275 18 E C -2.910 173.742 176.600 0.087 0.000 0.987 18 E CA -2.471 53.965 56.400 0.059 0.000 0.828 18 E CB 0.579 30.302 29.700 0.039 0.000 1.428 18 E HN -0.291 nan 8.360 nan 0.000 0.457 19 P HA 0.437 nan 4.420 nan 0.000 0.271 19 P C -0.284 177.052 177.300 0.061 0.000 1.244 19 P CA 1.066 64.219 63.100 0.089 0.000 0.793 19 P CB 0.206 31.938 31.700 0.054 0.000 0.984 20 G N -1.303 107.514 108.800 0.028 0.000 2.465 20 G HA2 -0.063 3.898 3.960 0.001 0.000 0.681 20 G HA3 -0.063 3.898 3.960 0.001 0.000 0.681 20 G C -1.218 173.680 174.900 -0.004 0.000 1.340 20 G CA -0.901 44.204 45.100 0.008 0.000 0.884 20 G HN 0.565 nan 8.290 nan 0.000 0.650 21 H N 0.685 119.786 119.070 0.052 0.000 3.001 21 H HA 0.090 4.647 4.556 0.001 0.000 0.334 21 H C 1.760 177.114 175.328 0.043 0.000 1.034 21 H CA 0.743 56.821 56.048 0.051 0.000 1.420 21 H CB 1.546 31.334 29.762 0.043 0.000 1.405 21 H HN 0.525 nan 8.280 nan 0.000 0.593 22 L N 5.186 126.517 121.223 0.180 0.000 2.013 22 L HA -0.257 4.084 4.340 0.001 0.000 0.212 22 L C 2.754 179.659 176.870 0.058 0.000 1.073 22 L CA 1.789 56.689 54.840 0.100 0.000 0.753 22 L CB -0.371 41.744 42.059 0.093 0.000 0.890 22 L HN 0.681 nan 8.230 nan 0.000 0.432 23 R N -0.863 119.668 120.500 0.052 0.000 2.185 23 R HA -0.146 4.195 4.340 0.001 0.000 0.247 23 R C 1.740 178.049 176.300 0.016 0.000 1.159 23 R CA 1.499 57.603 56.100 0.006 0.000 0.988 23 R CB -1.333 28.958 30.300 -0.015 0.000 0.871 23 R HN 0.488 nan 8.270 nan 0.000 0.458 24 G N 0.806 109.634 108.800 0.047 0.000 3.088 24 G HA2 0.058 4.019 3.960 0.001 0.000 0.217 24 G HA3 0.058 4.019 3.960 0.001 0.000 0.217 24 G C -0.113 174.805 174.900 0.031 0.000 1.159 24 G CA -0.460 44.662 45.100 0.038 0.000 0.760 24 G HN 0.018 nan 8.290 nan 0.000 0.550 25 K N 0.425 120.843 120.400 0.030 0.000 2.185 25 K HA 0.413 4.734 4.320 0.001 0.000 0.271 25 K C 0.475 177.079 176.600 0.006 0.000 1.013 25 K CA -0.423 55.877 56.287 0.023 0.000 0.943 25 K CB 1.879 34.398 32.500 0.031 0.000 0.998 25 K HN 0.045 nan 8.250 nan 0.000 0.468 26 R N 0.631 121.133 120.500 0.003 0.000 2.446 26 R HA 0.328 4.669 4.340 0.001 0.000 0.254 26 R C 0.012 176.305 176.300 -0.013 0.000 0.918 26 R CA -0.037 56.058 56.100 -0.007 0.000 1.069 26 R CB 0.662 30.958 30.300 -0.006 0.000 1.194 26 R HN 0.350 nan 8.270 nan 0.000 0.534 27 L N 1.325 122.543 121.223 -0.008 0.000 2.445 27 L HA 0.549 4.889 4.340 0.001 0.000 0.262 27 L C -1.564 175.298 176.870 -0.012 0.000 0.974 27 L CA -0.833 53.998 54.840 -0.016 0.000 0.822 27 L CB 2.408 44.459 42.059 -0.013 0.000 1.339 27 L HN -0.049 nan 8.230 nan 0.000 0.409 28 L N 2.286 123.491 121.223 -0.030 0.000 2.401 28 L HA 0.487 4.828 4.340 0.001 0.000 0.266 28 L C -0.826 176.000 176.870 -0.073 0.000 0.991 28 L CA -0.832 53.990 54.840 -0.030 0.000 0.818 28 L CB 2.486 44.523 42.059 -0.037 0.000 1.321 28 L HN 0.502 nan 8.230 nan 0.000 0.413 29 E N 1.039 121.195 120.200 -0.073 0.000 2.283 29 E HA 0.361 4.712 4.350 0.001 0.000 0.278 29 E C -1.015 175.354 176.600 -0.385 0.000 1.027 29 E CA -0.250 56.007 56.400 -0.239 0.000 0.843 29 E CB 1.700 31.305 29.700 -0.157 0.000 1.062 29 E HN 0.215 nan 8.360 nan 0.000 0.401 30 V N 4.946 124.538 119.914 -0.535 0.000 2.370 30 V HA 0.358 4.479 4.120 0.001 0.000 0.279 30 V C -0.866 174.856 176.094 -0.620 0.000 1.029 30 V CA -0.571 61.478 62.300 -0.417 0.000 0.870 30 V CB 0.059 31.738 31.823 -0.241 0.000 0.984 30 V HN 0.566 nan 8.190 nan 0.000 0.451 31 Y N 2.191 122.445 120.300 -0.078 0.000 2.576 31 Y HA 0.612 5.163 4.550 0.001 0.000 0.346 31 Y C -0.079 175.792 175.900 -0.049 0.000 1.018 31 Y CA -1.130 56.927 58.100 -0.072 0.000 1.050 31 Y CB 2.165 40.578 38.460 -0.078 0.000 1.280 31 Y HN 0.313 nan 8.280 nan 0.000 0.474 32 V N 2.657 122.676 119.914 0.176 0.000 2.364 32 V HA 0.668 4.789 4.120 0.001 0.000 0.272 32 V C 0.352 176.582 176.094 0.228 0.000 1.036 32 V CA -0.047 62.346 62.300 0.155 0.000 0.880 32 V CB 0.506 32.419 31.823 0.151 0.000 0.991 32 V HN 0.959 nan 8.190 nan 0.000 0.460 33 G N 2.798 111.699 108.800 0.169 0.000 3.119 33 G HA2 0.796 4.757 3.960 0.001 0.000 0.206 33 G HA3 0.796 4.757 3.960 0.001 0.000 0.206 33 G C 0.011 174.989 174.900 0.128 0.000 1.313 33 G CA -0.624 44.601 45.100 0.208 0.000 1.010 33 G HN 1.490 nan 8.290 nan 0.000 0.578 34 G N -2.068 106.828 108.800 0.159 0.000 3.435 34 G HA2 0.426 4.386 3.960 0.001 0.000 0.683 34 G HA3 0.426 4.386 3.960 0.001 0.000 0.683 34 G C 0.737 175.670 174.900 0.054 0.000 1.189 34 G CA 0.501 45.660 45.100 0.098 0.000 1.069 34 G HN 1.767 nan 8.290 nan 0.000 0.508 35 A N 2.300 125.161 122.820 0.068 0.000 1.883 35 A HA -0.197 4.124 4.320 0.001 0.000 0.222 35 A C 2.209 179.830 177.584 0.061 0.000 1.339 35 A CA 2.825 54.899 52.037 0.061 0.000 0.692 35 A CB -0.655 18.376 19.000 0.052 0.000 0.845 35 A HN 1.275 nan 8.150 nan 0.000 0.467 36 E N -0.553 119.706 120.200 0.099 0.000 2.209 36 E HA -0.073 4.278 4.350 0.001 0.000 0.196 36 E C 1.768 178.407 176.600 0.064 0.000 0.993 36 E CA 1.069 57.570 56.400 0.169 0.000 0.819 36 E CB -0.516 29.339 29.700 0.258 0.000 0.745 36 E HN 0.375 nan 8.360 nan 0.000 0.477 37 V N 1.669 121.516 119.914 -0.113 0.000 2.358 37 V HA -0.244 3.877 4.120 0.001 0.000 0.246 37 V C 1.708 177.550 176.094 -0.419 0.000 1.047 37 V CA 1.719 63.741 62.300 -0.463 0.000 1.035 37 V CB -0.473 31.060 31.823 -0.484 0.000 0.658 37 V HN 0.315 nan 8.190 nan 0.000 0.452 38 N N 0.320 118.858 118.700 -0.271 0.000 2.084 38 N HA -0.139 4.602 4.740 0.001 0.000 0.190 38 N C 1.794 177.180 175.510 -0.206 0.000 1.030 38 N CA 1.476 54.368 53.050 -0.263 0.000 0.849 38 N CB -0.621 37.847 38.487 -0.031 0.000 1.012 38 N HN 0.350 nan 8.380 nan 0.000 0.423 39 V N 1.758 121.596 119.914 -0.127 0.000 2.343 39 V HA -0.189 3.932 4.120 0.001 0.000 0.247 39 V C 2.467 178.472 176.094 -0.148 0.000 1.051 39 V CA 1.703 63.922 62.300 -0.136 0.000 1.036 39 V CB -0.983 30.771 31.823 -0.115 0.000 0.654 39 V HN 0.297 nan 8.190 nan 0.000 0.451 40 A N -0.071 122.669 122.820 -0.133 0.000 1.851 40 A HA -0.197 4.124 4.320 0.001 0.000 0.216 40 A C 2.402 179.879 177.584 -0.179 0.000 1.195 40 A CA 2.394 54.357 52.037 -0.123 0.000 0.622 40 A CB -0.858 18.059 19.000 -0.138 0.000 0.831 40 A HN 0.324 nan 8.150 nan 0.000 0.444 41 V N -0.132 119.618 119.914 -0.273 0.000 2.343 41 V HA -0.242 3.879 4.120 0.001 0.000 0.247 41 V C 3.075 179.065 176.094 -0.175 0.000 1.051 41 V CA 1.950 64.105 62.300 -0.241 0.000 1.036 41 V CB -1.335 30.282 31.823 -0.344 0.000 0.654 41 V HN 0.646 nan 8.190 nan 0.000 0.451 42 A N -0.130 122.597 122.820 -0.156 0.000 1.917 42 A HA -0.212 4.109 4.320 0.001 0.000 0.219 42 A C 2.220 179.726 177.584 -0.131 0.000 1.182 42 A CA 2.085 54.056 52.037 -0.110 0.000 0.633 42 A CB -0.571 18.378 19.000 -0.085 0.000 0.819 42 A HN 0.522 nan 8.150 nan 0.000 0.448 43 L N -1.039 120.095 121.223 -0.148 0.000 2.027 43 L HA -0.162 4.179 4.340 0.001 0.000 0.206 43 L C 3.132 179.929 176.870 -0.121 0.000 1.074 43 L CA 1.052 55.800 54.840 -0.153 0.000 0.745 43 L CB -0.639 41.324 42.059 -0.160 0.000 0.898 43 L HN 0.427 nan 8.230 nan 0.000 0.433 44 A N 0.316 123.062 122.820 -0.124 0.000 1.883 44 A HA -0.217 4.104 4.320 0.001 0.000 0.217 44 A C 2.366 179.855 177.584 -0.158 0.000 1.186 44 A CA 1.578 53.550 52.037 -0.110 0.000 0.624 44 A CB -0.544 18.392 19.000 -0.107 0.000 0.822 44 A HN 0.336 nan 8.150 nan 0.000 0.444 45 R N -0.638 119.701 120.500 -0.268 0.000 2.159 45 R HA 0.001 4.342 4.340 0.001 0.000 0.237 45 R C 1.312 177.441 176.300 -0.286 0.000 1.131 45 R CA 1.071 56.852 56.100 -0.532 0.000 0.982 45 R CB -0.383 29.478 30.300 -0.733 0.000 0.868 45 R HN 0.475 nan 8.270 nan 0.000 0.453 46 L N -0.361 120.807 121.223 -0.091 0.000 2.611 46 L HA 0.167 4.508 4.340 0.001 0.000 0.229 46 L C 0.987 177.975 176.870 0.197 0.000 1.137 46 L CA 0.338 55.236 54.840 0.097 0.000 0.901 46 L CB 0.305 42.474 42.059 0.184 0.000 1.098 46 L HN 0.478 nan 8.230 nan 0.000 0.456 47 G N 0.026 108.878 108.800 0.087 0.000 2.176 47 G HA2 -0.247 3.714 3.960 0.001 0.000 0.253 47 G HA3 -0.247 3.714 3.960 0.001 0.000 0.253 47 G C 0.259 175.241 174.900 0.138 0.000 0.979 47 G CA 0.018 45.191 45.100 0.122 0.000 0.641 47 G HN 0.104 nan 8.290 nan 0.000 0.530 48 V N 1.362 121.321 119.914 0.074 0.000 2.555 48 V HA 0.270 4.391 4.120 0.001 0.000 0.286 48 V C 0.973 177.055 176.094 -0.020 0.000 1.044 48 V CA -0.092 62.202 62.300 -0.009 0.000 1.026 48 V CB 1.313 33.031 31.823 -0.175 0.000 0.981 48 V HN 0.328 nan 8.190 nan 0.000 0.480 49 K N 3.966 124.361 120.400 -0.008 0.000 2.363 49 K HA 0.401 4.722 4.320 0.001 0.000 0.289 49 K C -0.578 176.002 176.600 -0.034 0.000 1.063 49 K CA 0.094 56.374 56.287 -0.013 0.000 0.967 49 K CB 1.020 33.515 32.500 -0.008 0.000 0.987 49 K HN 0.443 nan 8.250 nan 0.000 0.473 50 V N 2.015 121.915 119.914 -0.024 0.000 2.876 50 V HA 0.756 4.877 4.120 0.001 0.000 0.312 50 V C -0.554 175.558 176.094 0.030 0.000 1.085 50 V CA -0.466 61.825 62.300 -0.016 0.000 0.945 50 V CB 2.101 33.908 31.823 -0.026 0.000 1.017 50 V HN 0.827 nan 8.190 nan 0.000 0.428 51 G N 3.555 112.392 108.800 0.062 0.000 2.481 51 G HA2 0.688 4.649 3.960 0.001 0.000 0.315 51 G HA3 0.688 4.649 3.960 0.001 0.000 0.315 51 G C -1.892 173.147 174.900 0.232 0.000 1.231 51 G CA -0.591 44.619 45.100 0.183 0.000 0.968 51 G HN 0.769 nan 8.290 nan 0.000 0.482 52 F N 2.242 122.237 119.950 0.076 0.000 2.493 52 F HA 0.629 5.157 4.527 0.001 0.000 0.329 52 F C -0.721 175.113 175.800 0.057 0.000 1.126 52 F CA -0.974 57.033 58.000 0.013 0.000 0.937 52 F CB 2.137 41.071 39.000 -0.111 0.000 1.146 52 F HN 0.315 nan 8.300 nan 0.000 0.442 53 V N 6.011 125.473 119.914 -0.754 0.000 2.398 53 V HA 0.924 5.044 4.120 0.001 0.000 0.286 53 V C 0.180 175.785 176.094 -0.814 0.000 1.026 53 V CA 0.090 62.058 62.300 -0.554 0.000 0.868 53 V CB 0.703 32.291 31.823 -0.393 0.000 0.982 53 V HN 1.114 nan 8.190 nan 0.000 0.443 54 G N 5.013 113.609 108.800 -0.340 0.000 2.328 54 G HA2 0.509 4.470 3.960 0.001 0.000 0.295 54 G HA3 0.509 4.470 3.960 0.001 0.000 0.295 54 G C -1.890 173.153 174.900 0.238 0.000 1.413 54 G CA -0.921 44.099 45.100 -0.133 0.000 0.817 54 G HN 0.413 nan 8.290 nan 0.000 0.546 55 R N -1.003 119.602 120.500 0.175 0.000 2.854 55 R HA 0.847 5.188 4.340 0.001 0.000 0.271 55 R C -0.328 176.085 176.300 0.188 0.000 0.994 55 R CA -0.682 55.484 56.100 0.111 0.000 0.945 55 R CB 1.726 32.011 30.300 -0.025 0.000 1.194 55 R HN 1.334 nan 8.270 nan 0.000 0.476 56 V N -2.394 117.590 119.914 0.118 0.000 3.160 56 V HA 0.839 4.960 4.120 0.001 0.000 0.310 56 V C 0.306 176.410 176.094 0.017 0.000 1.181 56 V CA -1.027 61.343 62.300 0.117 0.000 1.047 56 V CB 1.783 33.762 31.823 0.260 0.000 1.068 56 V HN 0.776 nan 8.190 nan 0.000 0.441 57 G N -0.250 108.557 108.800 0.011 0.000 2.599 57 G HA2 0.449 4.410 3.960 0.001 0.000 0.264 57 G HA3 0.449 4.410 3.960 0.001 0.000 0.264 57 G C -0.024 174.898 174.900 0.037 0.000 1.200 57 G CA -0.481 44.631 45.100 0.020 0.000 0.896 57 G HN 0.898 nan 8.290 nan 0.000 0.536 58 E N 0.575 120.798 120.200 0.037 0.000 2.422 58 E HA 0.101 4.452 4.350 0.001 0.000 0.267 58 E C -0.473 176.155 176.600 0.046 0.000 1.466 58 E CA -0.203 56.214 56.400 0.027 0.000 1.767 58 E CB 0.070 29.779 29.700 0.015 0.000 1.471 58 E HN 0.569 nan 8.360 nan 0.000 0.446 59 D N -1.277 119.162 120.400 0.064 0.000 2.621 59 D HA 0.113 4.754 4.640 0.001 0.000 0.255 59 D C 0.935 177.271 176.300 0.060 0.000 1.122 59 D CA -0.721 53.320 54.000 0.068 0.000 1.096 59 D CB 0.510 41.370 40.800 0.100 0.000 1.282 59 D HN -0.284 nan 8.370 nan 0.000 0.619 60 E N -0.499 119.732 120.200 0.051 0.000 2.106 60 E HA -0.027 4.324 4.350 0.001 0.000 0.192 60 E C 2.033 178.662 176.600 0.050 0.000 0.984 60 E CA 0.635 57.060 56.400 0.041 0.000 0.806 60 E CB -0.146 29.569 29.700 0.025 0.000 0.750 60 E HN 0.452 nan 8.360 nan 0.000 0.458 61 L N -0.257 121.003 121.223 0.062 0.000 2.093 61 L HA -0.045 4.295 4.340 0.001 0.000 0.208 61 L C 2.511 179.433 176.870 0.087 0.000 1.085 61 L CA 1.208 56.089 54.840 0.068 0.000 0.755 61 L CB -0.859 41.252 42.059 0.085 0.000 0.904 61 L HN 0.152 nan 8.230 nan 0.000 0.435 62 G N -0.020 108.841 108.800 0.101 0.000 2.422 62 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 62 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 62 G C 1.808 176.797 174.900 0.148 0.000 1.146 62 G CA 0.844 46.022 45.100 0.130 0.000 0.769 62 G HN 0.446 nan 8.290 nan 0.000 0.547 63 A N 0.677 123.558 122.820 0.103 0.000 1.877 63 A HA -0.007 4.314 4.320 0.001 0.000 0.216 63 A C 2.344 179.986 177.584 0.096 0.000 1.186 63 A CA 1.939 54.034 52.037 0.096 0.000 0.620 63 A CB -0.470 18.567 19.000 0.062 0.000 0.822 63 A HN 0.407 nan 8.150 nan 0.000 0.443 64 M N -0.073 119.570 119.600 0.072 0.000 2.082 64 M HA -0.183 4.298 4.480 0.001 0.000 0.258 64 M C 1.936 178.271 176.300 0.059 0.000 1.069 64 M CA 2.354 57.686 55.300 0.053 0.000 1.102 64 M CB -0.321 32.300 32.600 0.035 0.000 1.336 64 M HN 0.220 nan 8.290 nan 0.000 0.404 65 V N 0.555 120.513 119.914 0.073 0.000 2.287 65 V HA -0.300 3.820 4.120 0.001 0.000 0.248 65 V C 2.269 178.376 176.094 0.022 0.000 1.053 65 V CA 2.447 64.767 62.300 0.035 0.000 1.027 65 V CB -1.079 30.778 31.823 0.056 0.000 0.646 65 V HN 0.617 nan 8.190 nan 0.000 0.447 66 E N 0.062 120.368 120.200 0.177 0.000 2.085 66 E HA -0.276 4.075 4.350 0.001 0.000 0.194 66 E C 2.198 178.880 176.600 0.137 0.000 0.994 66 E CA 1.725 58.297 56.400 0.286 0.000 0.801 66 E CB -0.076 29.874 29.700 0.416 0.000 0.743 66 E HN 0.717 nan 8.360 nan 0.000 0.453 67 E N -0.112 120.146 120.200 0.096 0.000 2.031 67 E HA -0.243 4.108 4.350 0.001 0.000 0.193 67 E C 2.227 178.852 176.600 0.041 0.000 0.994 67 E CA 1.108 57.547 56.400 0.065 0.000 0.800 67 E CB -0.098 29.634 29.700 0.053 0.000 0.752 67 E HN 0.000 nan 8.360 nan 0.000 0.447 68 R N 1.237 121.753 120.500 0.027 0.000 2.094 68 R HA -0.142 4.199 4.340 0.001 0.000 0.239 68 R C 2.155 178.443 176.300 -0.020 0.000 1.137 68 R CA 1.447 57.559 56.100 0.021 0.000 0.943 68 R CB -0.834 29.488 30.300 0.036 0.000 0.850 68 R HN 0.170 nan 8.270 nan 0.000 0.433 69 L N -0.255 120.912 121.223 -0.093 0.000 2.042 69 L HA -0.144 4.197 4.340 0.001 0.000 0.210 69 L C 2.716 179.556 176.870 -0.051 0.000 1.076 69 L CA 1.909 56.657 54.840 -0.154 0.000 0.749 69 L CB -0.381 41.490 42.059 -0.312 0.000 0.893 69 L HN 0.201 nan 8.230 nan 0.000 0.432 70 R N 0.133 120.638 120.500 0.008 0.000 2.062 70 R HA -0.086 4.255 4.340 0.001 0.000 0.229 70 R C 2.314 178.636 176.300 0.036 0.000 1.128 70 R CA 1.350 57.477 56.100 0.045 0.000 0.960 70 R CB -0.352 29.993 30.300 0.075 0.000 0.855 70 R HN 0.278 nan 8.270 nan 0.000 0.432 71 A N 0.860 123.702 122.820 0.036 0.000 1.902 71 A HA -0.130 4.191 4.320 0.001 0.000 0.217 71 A C 1.741 179.351 177.584 0.043 0.000 1.181 71 A CA 1.583 53.647 52.037 0.044 0.000 0.623 71 A CB -0.423 18.607 19.000 0.050 0.000 0.818 71 A HN 0.364 nan 8.150 nan 0.000 0.443 72 E N -1.089 119.125 120.200 0.024 0.000 2.478 72 E HA 0.096 4.446 4.350 0.001 0.000 0.198 72 E C 1.169 177.759 176.600 -0.016 0.000 1.046 72 E CA 0.706 57.108 56.400 0.003 0.000 0.870 72 E CB -0.373 29.310 29.700 -0.029 0.000 0.818 72 E HN 0.841 nan 8.360 nan 0.000 0.527 73 G N 1.026 109.828 108.800 0.003 0.000 2.171 73 G HA2 -0.258 3.702 3.960 0.001 0.000 0.238 73 G HA3 -0.258 3.702 3.960 0.001 0.000 0.238 73 G C 0.282 175.183 174.900 0.002 0.000 1.039 73 G CA 0.342 45.447 45.100 0.008 0.000 0.759 73 G HN 0.140 nan 8.290 nan 0.000 0.501 74 V N -0.193 119.718 119.914 -0.004 0.000 2.686 74 V HA 0.423 4.544 4.120 0.001 0.000 0.295 74 V C 0.666 176.797 176.094 0.061 0.000 1.057 74 V CA -0.392 61.913 62.300 0.009 0.000 1.012 74 V CB 1.735 33.538 31.823 -0.033 0.000 1.006 74 V HN 0.376 nan 8.190 nan 0.000 0.477 75 D N 2.692 123.149 120.400 0.095 0.000 2.339 75 D HA 0.312 4.953 4.640 0.001 0.000 0.256 75 D C 0.271 176.681 176.300 0.184 0.000 1.214 75 D CA 0.027 54.107 54.000 0.133 0.000 0.877 75 D CB 0.577 41.470 40.800 0.154 0.000 1.111 75 D HN 0.454 nan 8.370 nan 0.000 0.478 76 L N 3.512 124.840 121.223 0.174 0.000 3.062 76 L HA 0.154 4.494 4.340 0.001 0.000 0.255 76 L C 1.745 178.689 176.870 0.124 0.000 1.274 76 L CA -0.170 54.822 54.840 0.254 0.000 1.047 76 L CB 0.194 42.489 42.059 0.394 0.000 1.402 76 L HN 0.446 nan 8.230 nan 0.000 0.550 77 T N -1.173 113.372 114.554 -0.015 0.000 2.759 77 T HA -0.158 4.192 4.350 0.001 0.000 0.269 77 T C 1.136 175.570 174.700 -0.444 0.000 1.042 77 T CA 1.465 63.414 62.100 -0.252 0.000 1.140 77 T CB -0.192 68.468 68.868 -0.347 0.000 0.864 77 T HN 0.372 nan 8.240 nan 0.000 0.455 78 H N -1.012 117.951 119.070 -0.178 0.000 2.475 78 H HA 0.362 4.919 4.556 0.001 0.000 0.276 78 H C -0.746 174.569 175.328 -0.020 0.000 1.126 78 H CA -0.960 54.992 56.048 -0.160 0.000 1.023 78 H CB -0.223 29.345 29.762 -0.322 0.000 1.669 78 H HN 0.277 nan 8.280 nan 0.000 0.573 79 F N 1.972 121.922 119.950 -0.000 0.000 2.480 79 F HA 0.600 5.128 4.527 0.002 0.000 0.329 79 F C -0.385 175.443 175.800 0.047 0.000 1.091 79 F CA -1.019 57.001 58.000 0.034 0.000 0.972 79 F CB 1.393 40.477 39.000 0.140 0.000 1.150 79 F HN -0.008 nan 8.300 nan 0.000 0.467 80 R N 4.570 124.411 120.500 -1.099 0.000 2.709 80 R HA 0.356 4.697 4.340 0.001 0.000 0.270 80 R C -1.783 174.086 176.300 -0.719 0.000 1.038 80 R CA -0.862 54.722 56.100 -0.861 0.000 0.872 80 R CB 1.422 31.520 30.300 -0.335 0.000 1.259 80 R HN 0.892 nan 8.270 nan 0.000 0.473 81 R N 1.454 121.680 120.500 -0.455 0.000 2.216 81 R HA 0.495 4.836 4.340 0.001 0.000 0.332 81 R C -0.462 175.754 176.300 -0.139 0.000 1.056 81 R CA 0.059 56.026 56.100 -0.222 0.000 0.901 81 R CB 1.480 31.709 30.300 -0.119 0.000 1.039 81 R HN 0.595 nan 8.270 nan 0.000 0.456 82 A N 5.288 128.048 122.820 -0.099 0.000 2.346 82 A HA 0.680 5.000 4.320 0.001 0.000 0.313 82 A C -2.473 175.090 177.584 -0.034 0.000 1.140 82 A CA -2.189 49.808 52.037 -0.067 0.000 0.826 82 A CB 0.945 19.903 19.000 -0.070 0.000 1.332 82 A HN 0.405 nan 8.150 nan 0.000 0.457 83 P HA 0.379 nan 4.420 nan 0.000 0.266 83 P C 0.567 177.874 177.300 0.012 0.000 1.193 83 P CA 2.032 65.133 63.100 0.001 0.000 0.770 83 P CB 0.445 32.145 31.700 -0.000 0.000 0.836 84 G N 1.288 110.118 108.800 0.049 0.000 2.362 84 G HA2 0.156 4.117 3.960 0.001 0.000 0.517 84 G HA3 0.156 4.117 3.960 0.001 0.000 0.517 84 G C -1.387 173.603 174.900 0.150 0.000 1.256 84 G CA -0.495 44.660 45.100 0.091 0.000 1.027 84 G HN 0.552 nan 8.290 nan 0.000 0.491 85 F N -0.758 119.211 119.950 0.032 0.000 2.575 85 F HA 0.886 5.413 4.527 0.001 0.000 0.330 85 F C 0.165 176.001 175.800 0.059 0.000 1.056 85 F CA -0.614 57.412 58.000 0.043 0.000 0.964 85 F CB 1.752 40.779 39.000 0.045 0.000 1.258 85 F HN 0.565 nan 8.300 nan 0.000 0.484 86 T N 1.830 116.411 114.554 0.046 0.000 2.767 86 T HA 0.537 4.888 4.350 0.001 0.000 0.288 86 T C 0.418 175.147 174.700 0.049 0.000 0.963 86 T CA -0.256 61.812 62.100 -0.053 0.000 1.019 86 T CB 1.030 69.948 68.868 0.083 0.000 0.923 86 T HN 1.026 nan 8.240 nan 0.000 0.468 87 G N 2.205 110.942 108.800 -0.106 0.000 2.544 87 G HA2 0.516 4.477 3.960 0.001 0.000 0.242 87 G HA3 0.516 4.477 3.960 0.001 0.000 0.242 87 G C -0.607 174.462 174.900 0.281 0.000 1.247 87 G CA -0.414 44.794 45.100 0.179 0.000 0.840 87 G HN 0.707 nan 8.290 nan 0.000 0.578 88 L N -0.958 120.493 121.223 0.381 0.000 2.491 88 L HA 0.926 5.267 4.340 0.001 0.000 0.254 88 L C -0.752 176.367 176.870 0.415 0.000 1.048 88 L CA -1.968 53.041 54.840 0.281 0.000 0.855 88 L CB 1.456 43.609 42.059 0.157 0.000 1.466 88 L HN 0.816 nan 8.230 nan 0.000 0.409 89 Y N -1.028 119.383 120.300 0.186 0.000 2.638 89 Y HA 0.865 5.415 4.550 0.001 0.000 0.335 89 Y C -2.100 173.825 175.900 0.041 0.000 1.155 89 Y CA -1.551 56.605 58.100 0.093 0.000 1.046 89 Y CB 1.512 39.855 38.460 -0.195 0.000 1.303 89 Y HN 0.593 nan 8.280 nan 0.000 0.460 90 L N 3.428 124.834 121.223 0.306 0.000 2.349 90 L HA 0.641 4.982 4.340 0.001 0.000 0.278 90 L C -0.123 176.897 176.870 0.250 0.000 0.996 90 L CA -0.624 54.336 54.840 0.201 0.000 0.825 90 L CB 1.878 44.050 42.059 0.188 0.000 1.243 90 L HN 0.665 nan 8.230 nan 0.000 0.412 91 R N 1.721 122.319 120.500 0.164 0.000 2.532 91 R HA 0.562 4.903 4.340 0.001 0.000 0.272 91 R C -0.578 175.647 176.300 -0.124 0.000 1.032 91 R CA -0.481 55.614 56.100 -0.008 0.000 1.089 91 R CB 1.173 31.479 30.300 0.009 0.000 1.098 91 R HN 0.624 nan 8.270 nan 0.000 0.526 92 E N 2.323 122.300 120.200 -0.370 0.000 2.313 92 E HA 0.119 4.470 4.350 0.001 0.000 0.280 92 E C -1.764 174.561 176.600 -0.458 0.000 0.898 92 E CA -0.461 55.785 56.400 -0.257 0.000 0.803 92 E CB 0.926 30.617 29.700 -0.015 0.000 1.286 92 E HN 0.531 nan 8.360 nan 0.000 0.401 93 Y N 3.936 124.235 120.300 -0.002 0.000 2.342 93 Y HA 0.364 4.915 4.550 0.001 0.000 0.338 93 Y C 0.383 176.243 175.900 -0.068 0.000 0.965 93 Y CA -0.685 57.397 58.100 -0.030 0.000 1.159 93 Y CB 1.220 39.672 38.460 -0.013 0.000 1.157 93 Y HN 0.336 nan 8.280 nan 0.000 0.486 94 L N 5.796 127.026 121.223 0.011 0.000 2.395 94 L HA 0.242 4.583 4.340 0.001 0.000 0.269 94 L C -1.375 175.492 176.870 -0.004 0.000 1.133 94 L CA -1.801 52.994 54.840 -0.075 0.000 0.812 94 L CB 0.931 42.898 42.059 -0.154 0.000 1.125 94 L HN 0.414 nan 8.230 nan 0.000 0.452 95 P HA -0.223 nan 4.420 nan 0.000 0.220 95 P C 1.043 178.350 177.300 0.011 0.000 1.155 95 P CA 1.565 64.670 63.100 0.008 0.000 0.880 95 P CB 0.153 31.859 31.700 0.010 0.000 0.790 96 L N -2.885 118.344 121.223 0.009 0.000 2.783 96 L HA 0.310 4.651 4.340 0.001 0.000 0.236 96 L C 1.515 178.395 176.870 0.016 0.000 1.225 96 L CA 0.402 55.249 54.840 0.013 0.000 1.026 96 L CB -0.566 41.501 42.059 0.014 0.000 1.314 96 L HN 0.186 nan 8.230 nan 0.000 0.489 97 G N -0.698 108.118 108.800 0.026 0.000 2.358 97 G HA2 -0.308 3.652 3.960 0.001 0.000 0.224 97 G HA3 -0.308 3.652 3.960 0.001 0.000 0.224 97 G C 0.379 175.311 174.900 0.054 0.000 1.073 97 G CA -0.438 44.687 45.100 0.042 0.000 0.635 97 G HN 0.395 nan 8.290 nan 0.000 0.509 98 Q N 1.758 121.574 119.800 0.025 0.000 2.244 98 Q HA 0.485 4.826 4.340 0.001 0.000 0.278 98 Q C 0.888 176.882 176.000 -0.010 0.000 1.093 98 Q CA 0.832 56.642 55.803 0.011 0.000 0.916 98 Q CB 0.983 29.723 28.738 0.004 0.000 1.159 98 Q HN 0.682 nan 8.270 nan 0.000 0.384 99 G N 1.830 110.619 108.800 -0.018 0.000 2.613 99 G HA2 0.758 4.719 3.960 0.001 0.000 0.303 99 G HA3 0.758 4.719 3.960 0.001 0.000 0.303 99 G C -1.048 173.763 174.900 -0.148 0.000 1.312 99 G CA -0.569 44.466 45.100 -0.109 0.000 1.036 99 G HN 0.458 nan 8.290 nan 0.000 0.513 100 R N -1.472 118.887 120.500 -0.235 0.000 2.633 100 R HA 0.466 4.806 4.340 0.001 0.000 0.256 100 R C -1.875 174.170 176.300 -0.424 0.000 1.131 100 R CA -0.397 55.525 56.100 -0.298 0.000 0.994 100 R CB 1.340 31.501 30.300 -0.231 0.000 1.261 100 R HN 0.503 nan 8.270 nan 0.000 0.446 101 V N 4.891 124.480 119.914 -0.541 0.000 2.628 101 V HA 0.636 4.757 4.120 0.001 0.000 0.306 101 V C -0.824 174.793 176.094 -0.795 0.000 1.045 101 V CA -0.554 61.404 62.300 -0.570 0.000 0.905 101 V CB 1.682 33.147 31.823 -0.598 0.000 0.997 101 V HN 0.612 nan 8.190 nan 0.000 0.436 102 F N 3.320 123.136 119.950 -0.224 0.000 2.449 102 F HA 0.613 5.141 4.527 0.001 0.000 0.342 102 F C -0.322 175.409 175.800 -0.115 0.000 1.127 102 F CA -0.562 57.378 58.000 -0.101 0.000 0.975 102 F CB 1.211 40.255 39.000 0.074 0.000 1.146 102 F HN 0.349 nan 8.300 nan 0.000 0.444 103 Y N 1.765 122.159 120.300 0.157 0.000 2.376 103 Y HA 0.444 4.994 4.550 0.001 0.000 0.325 103 Y C -0.692 175.180 175.900 -0.047 0.000 1.199 103 Y CA -0.717 57.477 58.100 0.156 0.000 1.206 103 Y CB 1.155 39.639 38.460 0.040 0.000 1.229 103 Y HN 0.456 nan 8.280 nan 0.000 0.480 104 Y N 1.681 122.206 120.300 0.374 0.000 2.529 104 Y HA 0.286 4.837 4.550 0.001 0.000 0.319 104 Y C 0.352 176.496 175.900 0.406 0.000 1.063 104 Y CA -0.693 57.581 58.100 0.289 0.000 1.178 104 Y CB 0.609 39.186 38.460 0.194 0.000 1.123 104 Y HN 0.601 nan 8.280 nan 0.000 0.625 105 R N -1.295 119.465 120.500 0.433 0.000 2.555 105 R HA 0.231 4.571 4.340 0.001 0.000 0.312 105 R C 0.191 176.633 176.300 0.237 0.000 0.938 105 R CA -0.596 55.718 56.100 0.357 0.000 1.112 105 R CB 0.421 30.849 30.300 0.213 0.000 1.535 105 R HN -0.101 nan 8.270 nan 0.000 0.525 106 K N 2.181 122.710 120.400 0.214 0.000 2.472 106 K HA 0.031 4.352 4.320 0.001 0.000 0.280 106 K C 0.439 177.162 176.600 0.205 0.000 1.028 106 K CA 1.650 58.015 56.287 0.130 0.000 1.045 106 K CB 0.576 33.125 32.500 0.081 0.000 0.902 106 K HN 0.513 nan 8.250 nan 0.000 0.478 107 G N 2.858 111.719 108.800 0.101 0.000 2.143 107 G HA2 -0.291 3.670 3.960 0.001 0.000 0.248 107 G HA3 -0.291 3.670 3.960 0.001 0.000 0.248 107 G C 0.107 175.044 174.900 0.062 0.000 0.991 107 G CA 0.606 45.773 45.100 0.111 0.000 0.689 107 G HN 0.850 nan 8.290 nan 0.000 0.522 108 S N -0.698 114.895 115.700 -0.179 0.000 2.600 108 S HA 0.714 5.185 4.470 0.001 0.000 0.265 108 S C 1.810 176.204 174.600 -0.344 0.000 1.325 108 S CA 0.464 58.257 58.200 -0.678 0.000 1.002 108 S CB 1.749 64.485 63.200 -0.774 0.000 0.921 108 S HN 1.671 nan 8.310 nan 0.000 0.554 109 A N 1.651 124.262 122.820 -0.348 0.000 1.972 109 A HA 0.138 4.458 4.320 0.001 0.000 0.219 109 A C 2.115 179.620 177.584 -0.131 0.000 1.169 109 A CA 1.532 53.470 52.037 -0.166 0.000 0.635 109 A CB -1.642 17.288 19.000 -0.117 0.000 0.810 109 A HN 1.131 nan 8.150 nan 0.000 0.446 110 G N -0.301 108.415 108.800 -0.141 0.000 2.448 110 G HA2 -0.045 3.916 3.960 0.001 0.000 0.218 110 G HA3 -0.045 3.916 3.960 0.001 0.000 0.218 110 G C 1.622 176.454 174.900 -0.112 0.000 1.135 110 G CA 1.237 46.288 45.100 -0.082 0.000 0.784 110 G HN 0.833 nan 8.290 nan 0.000 0.543 111 S N 0.276 115.897 115.700 -0.132 0.000 2.650 111 S HA 0.470 4.941 4.470 0.001 0.000 0.219 111 S C 2.150 176.677 174.600 -0.121 0.000 0.960 111 S CA 0.798 58.922 58.200 -0.126 0.000 0.925 111 S CB 0.360 63.491 63.200 -0.114 0.000 0.775 111 S HN 0.424 nan 8.310 nan 0.000 0.525 112 A N 1.947 124.694 122.820 -0.122 0.000 1.898 112 A HA 0.335 4.656 4.320 0.001 0.000 0.214 112 A C 0.985 178.484 177.584 -0.141 0.000 1.183 112 A CA 0.039 52.010 52.037 -0.110 0.000 0.622 112 A CB -0.810 18.133 19.000 -0.095 0.000 0.824 112 A HN 0.562 nan 8.150 nan 0.000 0.444 113 L N -0.114 120.979 121.223 -0.216 0.000 3.544 113 L HA -0.068 4.273 4.340 0.001 0.000 0.404 113 L C 0.465 177.193 176.870 -0.236 0.000 1.080 113 L CA 0.416 55.033 54.840 -0.371 0.000 0.763 113 L CB -0.618 41.045 42.059 -0.660 0.000 1.168 113 L HN 0.502 nan 8.230 nan 0.000 0.723 114 A N 5.584 128.338 122.820 -0.110 0.000 2.532 114 A HA 0.845 5.165 4.320 0.001 0.000 0.290 114 A C -2.654 175.018 177.584 0.147 0.000 1.143 114 A CA -1.720 50.348 52.037 0.051 0.000 0.728 114 A CB 1.350 20.323 19.000 -0.046 0.000 1.317 114 A HN 0.424 nan 8.150 nan 0.000 0.414 115 P HA 0.271 nan 4.420 nan 0.000 0.260 115 P C 0.805 177.424 177.300 -1.135 0.000 1.185 115 P CA 2.475 65.128 63.100 -0.746 0.000 0.763 115 P CB 0.386 31.722 31.700 -0.607 0.000 0.776 116 G N 3.404 110.951 108.800 -2.088 0.000 2.144 116 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 116 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 116 G C 1.078 175.710 174.900 -0.447 0.000 0.988 116 G CA 0.133 44.543 45.100 -1.150 0.000 0.659 116 G HN 0.625 nan 8.290 nan 0.000 0.522 117 A N -0.715 122.017 122.820 -0.147 0.000 2.131 117 A HA 0.460 4.781 4.320 0.001 0.000 0.220 117 A C 0.860 178.559 177.584 0.192 0.000 1.158 117 A CA 1.897 54.006 52.037 0.120 0.000 0.665 117 A CB -0.502 18.654 19.000 0.261 0.000 0.795 117 A HN 1.859 nan 8.150 nan 0.000 0.460 118 F N -3.885 116.138 119.950 0.122 0.000 2.686 118 F HA 0.572 5.100 4.527 0.001 0.000 0.311 118 F C -1.020 174.687 175.800 -0.155 0.000 1.128 118 F CA -1.972 55.885 58.000 -0.238 0.000 0.946 118 F CB 0.596 39.425 39.000 -0.284 0.000 1.336 118 F HN -0.161 nan 8.300 nan 0.000 0.457 119 D N 2.512 122.723 120.400 -0.315 0.000 2.339 119 D HA 0.257 4.898 4.640 0.001 0.000 0.256 119 D C -1.834 174.612 176.300 0.243 0.000 1.214 119 D CA -1.769 52.227 54.000 -0.007 0.000 0.877 119 D CB 1.695 42.554 40.800 0.098 0.000 1.111 119 D HN 0.263 nan 8.370 nan 0.000 0.478 120 P HA -0.134 nan 4.420 nan 0.000 0.216 120 P C 0.597 178.027 177.300 0.217 0.000 1.150 120 P CA 0.865 64.043 63.100 0.132 0.000 0.843 120 P CB 0.275 31.993 31.700 0.029 0.000 0.787 121 D N -2.341 118.181 120.400 0.204 0.000 2.403 121 D HA -0.178 4.463 4.640 0.001 0.000 0.227 121 D C 1.544 178.003 176.300 0.266 0.000 0.995 121 D CA 0.722 54.834 54.000 0.186 0.000 0.928 121 D CB -0.490 40.405 40.800 0.158 0.000 0.887 121 D HN 0.370 nan 8.370 nan 0.000 0.529 122 Y N 0.780 121.217 120.300 0.227 0.000 2.263 122 Y HA -0.051 4.500 4.550 0.001 0.000 0.292 122 Y C 1.924 177.906 175.900 0.136 0.000 1.130 122 Y CA 0.740 58.984 58.100 0.239 0.000 1.179 122 Y CB 0.097 38.807 38.460 0.417 0.000 0.998 122 Y HN -0.109 nan 8.280 nan 0.000 0.532 123 L N 0.936 122.263 121.223 0.174 0.000 2.675 123 L HA 0.018 4.358 4.340 0.001 0.000 0.239 123 L C 0.176 177.032 176.870 -0.023 0.000 1.151 123 L CA 0.289 55.137 54.840 0.014 0.000 0.905 123 L CB -0.500 41.599 42.059 0.068 0.000 1.057 123 L HN 0.154 nan 8.230 nan 0.000 0.435 124 E N 0.629 120.829 120.200 0.000 0.000 2.299 124 E HA 0.218 4.569 4.350 0.001 0.000 0.272 124 E C 1.070 177.644 176.600 -0.045 0.000 1.043 124 E CA 0.560 56.953 56.400 -0.011 0.000 0.895 124 E CB 0.624 30.335 29.700 0.020 0.000 1.011 124 E HN 0.320 nan 8.360 nan 0.000 0.432 125 G N 2.585 111.354 108.800 -0.053 0.000 2.184 125 G HA2 -0.280 3.681 3.960 0.001 0.000 0.264 125 G HA3 -0.280 3.681 3.960 0.001 0.000 0.264 125 G C 0.317 175.162 174.900 -0.092 0.000 0.975 125 G CA 0.203 45.264 45.100 -0.064 0.000 0.642 125 G HN 0.468 nan 8.290 nan 0.000 0.536 126 V N 0.760 120.610 119.914 -0.107 0.000 2.555 126 V HA 0.391 4.512 4.120 0.001 0.000 0.286 126 V C 1.764 177.764 176.094 -0.157 0.000 1.044 126 V CA 0.580 62.804 62.300 -0.127 0.000 1.026 126 V CB 1.359 33.102 31.823 -0.134 0.000 0.981 126 V HN 0.401 nan 8.190 nan 0.000 0.480 127 R N 3.637 124.027 120.500 -0.182 0.000 2.075 127 R HA 0.051 4.392 4.340 0.001 0.000 0.230 127 R C 0.047 175.995 176.300 -0.587 0.000 1.140 127 R CA 1.706 57.579 56.100 -0.378 0.000 0.928 127 R CB -0.022 30.114 30.300 -0.273 0.000 0.834 127 R HN 0.594 nan 8.270 nan 0.000 0.429 128 F N -1.576 118.349 119.950 -0.041 0.000 2.620 128 F HA 0.441 4.969 4.527 0.001 0.000 0.320 128 F C -0.999 174.803 175.800 0.002 0.000 1.069 128 F CA -1.345 56.652 58.000 -0.004 0.000 0.953 128 F CB 1.562 40.572 39.000 0.016 0.000 1.322 128 F HN -0.161 nan 8.300 nan 0.000 0.479 129 L N 1.897 123.277 121.223 0.263 0.000 2.372 129 L HA 0.507 4.847 4.340 0.001 0.000 0.274 129 L C -1.495 175.509 176.870 0.224 0.000 0.988 129 L CA -0.386 54.554 54.840 0.166 0.000 0.833 129 L CB 0.891 43.004 42.059 0.089 0.000 1.236 129 L HN 0.649 nan 8.230 nan 0.000 0.410 130 H N 4.960 124.081 119.070 0.085 0.000 2.459 130 H HA 0.812 5.369 4.556 0.001 0.000 0.332 130 H C -1.526 173.850 175.328 0.080 0.000 1.094 130 H CA -0.352 55.735 56.048 0.064 0.000 1.224 130 H CB 1.075 30.832 29.762 -0.007 0.000 1.449 130 H HN 0.698 nan 8.280 nan 0.000 0.484 131 L N 3.131 124.060 121.223 -0.491 0.000 2.393 131 L HA 0.473 4.814 4.340 0.001 0.000 0.260 131 L C -0.520 176.122 176.870 -0.380 0.000 1.002 131 L CA -1.052 53.603 54.840 -0.307 0.000 0.818 131 L CB 2.366 44.419 42.059 -0.009 0.000 1.369 131 L HN 0.732 nan 8.230 nan 0.000 0.412 132 S N -0.957 114.627 115.700 -0.194 0.000 2.578 132 S HA 0.471 4.942 4.470 0.001 0.000 0.301 132 S C 0.775 175.358 174.600 -0.029 0.000 1.091 132 S CA -0.136 58.011 58.200 -0.088 0.000 1.032 132 S CB 1.719 64.885 63.200 -0.058 0.000 1.064 132 S HN 0.812 nan 8.310 nan 0.000 0.508 133 G N 0.617 109.446 108.800 0.050 0.000 2.708 133 G HA2 0.015 3.976 3.960 0.001 0.000 0.210 133 G HA3 0.015 3.976 3.960 0.001 0.000 0.210 133 G C 0.856 175.652 174.900 -0.173 0.000 1.141 133 G CA 0.327 45.462 45.100 0.058 0.000 0.788 133 G HN 0.753 nan 8.290 nan 0.000 0.531 134 I N 0.279 120.745 120.570 -0.173 0.000 2.333 134 I HA -0.103 4.068 4.170 0.001 0.000 0.246 134 I C 2.907 178.816 176.117 -0.348 0.000 1.106 134 I CA 0.994 62.125 61.300 -0.282 0.000 1.411 134 I CB -0.577 37.316 38.000 -0.178 0.000 1.082 134 I HN 0.015 nan 8.210 nan 0.000 0.420 135 T N 2.319 116.730 114.554 -0.238 0.000 2.580 135 T HA -0.122 4.229 4.350 0.001 0.000 0.265 135 T C -0.379 174.148 174.700 -0.288 0.000 1.063 135 T CA 2.089 64.070 62.100 -0.199 0.000 1.170 135 T CB -1.460 67.367 68.868 -0.067 0.000 0.863 135 T HN 0.281 nan 8.240 nan 0.000 0.418 136 P HA -0.031 nan 4.420 nan 0.000 0.219 136 P C 1.092 178.004 177.300 -0.647 0.000 1.146 136 P CA 1.353 64.168 63.100 -0.476 0.000 0.808 136 P CB -0.178 31.007 31.700 -0.858 0.000 0.779 137 A N -0.706 121.498 122.820 -1.026 0.000 2.168 137 A HA -0.011 4.310 4.320 0.001 0.000 0.215 137 A C 2.300 179.526 177.584 -0.596 0.000 1.152 137 A CA 0.604 51.896 52.037 -1.242 0.000 0.716 137 A CB -1.305 16.557 19.000 -1.897 0.000 0.794 137 A HN 0.134 nan 8.150 nan 0.000 0.465 138 L N -0.294 120.674 121.223 -0.425 0.000 2.023 138 L HA -0.007 4.334 4.340 0.001 0.000 0.205 138 L C 1.354 178.118 176.870 -0.175 0.000 1.073 138 L CA 1.213 55.892 54.840 -0.269 0.000 0.745 138 L CB -0.335 41.592 42.059 -0.221 0.000 0.900 138 L HN 0.569 nan 8.230 nan 0.000 0.435 139 S N -3.745 111.869 115.700 -0.143 0.000 2.615 139 S HA 0.386 4.857 4.470 0.001 0.000 0.269 139 S C -2.478 172.102 174.600 -0.033 0.000 1.161 139 S CA -1.093 57.063 58.200 -0.073 0.000 0.817 139 S CB 1.378 64.541 63.200 -0.061 0.000 1.131 139 S HN -0.282 nan 8.310 nan 0.000 0.467 140 P HA 0.010 nan 4.420 nan 0.000 0.218 140 P C 0.768 178.097 177.300 0.050 0.000 1.149 140 P CA 1.270 64.394 63.100 0.041 0.000 0.817 140 P CB 0.001 31.724 31.700 0.038 0.000 0.785 141 E N -0.097 120.118 120.200 0.025 0.000 2.046 141 E HA -0.082 4.268 4.350 0.001 0.000 0.190 141 E C 2.169 178.816 176.600 0.079 0.000 0.982 141 E CA 1.339 57.759 56.400 0.034 0.000 0.800 141 E CB -1.141 28.555 29.700 -0.008 0.000 0.756 141 E HN 0.112 nan 8.360 nan 0.000 0.449 142 A N 1.539 124.376 122.820 0.029 0.000 1.902 142 A HA -0.224 4.097 4.320 0.001 0.000 0.217 142 A C 2.185 179.853 177.584 0.140 0.000 1.181 142 A CA 1.797 53.859 52.037 0.042 0.000 0.623 142 A CB -0.528 18.425 19.000 -0.078 0.000 0.818 142 A HN 0.141 nan 8.150 nan 0.000 0.443 143 R N -0.246 120.298 120.500 0.074 0.000 2.081 143 R HA -0.116 4.225 4.340 0.001 0.000 0.235 143 R C 2.250 178.714 176.300 0.273 0.000 1.131 143 R CA 1.573 57.749 56.100 0.127 0.000 0.960 143 R CB -0.449 29.934 30.300 0.138 0.000 0.856 143 R HN 0.422 nan 8.270 nan 0.000 0.436 144 A N 0.765 123.721 122.820 0.226 0.000 1.873 144 A HA -0.182 4.139 4.320 0.001 0.000 0.215 144 A C 2.006 179.765 177.584 0.292 0.000 1.186 144 A CA 1.282 53.452 52.037 0.222 0.000 0.616 144 A CB -0.864 18.219 19.000 0.139 0.000 0.823 144 A HN 0.542 nan 8.150 nan 0.000 0.442 145 F N 1.696 121.747 119.950 0.168 0.000 2.043 145 F HA -0.244 4.284 4.527 0.001 0.000 0.297 145 F C 2.547 178.576 175.800 0.383 0.000 1.121 145 F CA 2.206 60.376 58.000 0.282 0.000 1.199 145 F CB -0.530 38.584 39.000 0.190 0.000 0.968 145 F HN 0.219 nan 8.300 nan 0.000 0.478 146 S N 1.442 117.405 115.700 0.439 0.000 2.368 146 S HA -0.267 4.204 4.470 0.001 0.000 0.226 146 S C 2.071 176.789 174.600 0.198 0.000 1.044 146 S CA 1.992 60.375 58.200 0.305 0.000 1.062 146 S CB -0.925 62.483 63.200 0.347 0.000 0.931 146 S HN 0.442 nan 8.310 nan 0.000 0.440 147 L N -0.458 120.933 121.223 0.280 0.000 2.012 147 L HA -0.162 4.179 4.340 0.001 0.000 0.210 147 L C 2.404 179.332 176.870 0.097 0.000 1.073 147 L CA 1.768 56.721 54.840 0.189 0.000 0.748 147 L CB -0.576 41.606 42.059 0.205 0.000 0.891 147 L HN 0.489 nan 8.230 nan 0.000 0.431 148 W N 1.015 122.271 121.300 -0.074 0.000 2.335 148 W HA -0.246 4.415 4.660 0.001 0.000 0.311 148 W C 2.509 178.896 176.519 -0.220 0.000 1.213 148 W CA 1.782 59.035 57.345 -0.153 0.000 1.274 148 W CB -0.345 28.995 29.460 -0.199 0.000 1.148 148 W HN 0.118 nan 8.180 nan 0.000 0.498 149 A N 1.746 124.201 122.820 -0.607 0.000 1.851 149 A HA -0.272 4.049 4.320 0.001 0.000 0.216 149 A C 2.180 179.498 177.584 -0.443 0.000 1.195 149 A CA 2.882 54.434 52.037 -0.807 0.000 0.622 149 A CB -1.381 17.295 19.000 -0.540 0.000 0.831 149 A HN 0.602 nan 8.150 nan 0.000 0.444 150 M N -1.070 118.405 119.600 -0.208 0.000 2.549 150 M HA -0.043 4.437 4.480 0.001 0.000 0.260 150 M C 1.613 177.835 176.300 -0.130 0.000 1.076 150 M CA 2.143 57.381 55.300 -0.104 0.000 1.090 150 M CB -0.412 32.186 32.600 -0.004 0.000 1.418 150 M HN 0.533 nan 8.290 nan 0.000 0.486 151 E N 1.609 121.689 120.200 -0.199 0.000 2.122 151 E HA -0.195 4.156 4.350 0.001 0.000 0.190 151 E C 1.535 178.011 176.600 -0.207 0.000 0.977 151 E CA 1.398 57.701 56.400 -0.161 0.000 0.820 151 E CB -0.056 29.571 29.700 -0.121 0.000 0.770 151 E HN 0.661 nan 8.360 nan 0.000 0.462 152 E N 0.352 120.327 120.200 -0.375 0.000 2.285 152 E HA 0.028 4.379 4.350 0.001 0.000 0.194 152 E C 1.677 178.158 176.600 -0.198 0.000 0.997 152 E CA 1.018 57.220 56.400 -0.330 0.000 0.845 152 E CB -0.043 29.314 29.700 -0.572 0.000 0.782 152 E HN 0.358 nan 8.360 nan 0.000 0.491 153 A N 0.947 123.659 122.820 -0.180 0.000 1.854 153 A HA -0.142 4.179 4.320 0.001 0.000 0.214 153 A C 2.097 179.638 177.584 -0.072 0.000 1.192 153 A CA 1.566 53.546 52.037 -0.095 0.000 0.611 153 A CB -0.492 18.469 19.000 -0.065 0.000 0.832 153 A HN 0.207 nan 8.150 nan 0.000 0.442 154 K N -0.164 120.195 120.400 -0.069 0.000 2.063 154 K HA -0.223 4.098 4.320 0.001 0.000 0.208 154 K C 2.182 178.752 176.600 -0.049 0.000 1.048 154 K CA 1.819 58.077 56.287 -0.048 0.000 0.928 154 K CB -0.195 32.280 32.500 -0.041 0.000 0.713 154 K HN 0.352 nan 8.250 nan 0.000 0.442 155 R N 0.554 121.018 120.500 -0.060 0.000 2.237 155 R HA -0.044 4.297 4.340 0.001 0.000 0.219 155 R C 1.135 177.410 176.300 -0.042 0.000 1.080 155 R CA 1.219 57.290 56.100 -0.048 0.000 0.995 155 R CB 0.122 30.389 30.300 -0.055 0.000 0.875 155 R HN 0.152 nan 8.270 nan 0.000 0.462 156 R N -1.107 119.364 120.500 -0.049 0.000 2.507 156 R HA 0.238 4.579 4.340 0.001 0.000 0.298 156 R C 0.276 176.547 176.300 -0.048 0.000 0.999 156 R CA 0.461 56.537 56.100 -0.041 0.000 1.082 156 R CB 1.151 31.430 30.300 -0.036 0.000 1.246 156 R HN 0.340 nan 8.270 nan 0.000 0.553 157 G N 1.012 109.781 108.800 -0.050 0.000 2.221 157 G HA2 -0.246 3.715 3.960 0.001 0.000 0.265 157 G HA3 -0.246 3.715 3.960 0.001 0.000 0.265 157 G C -0.067 174.783 174.900 -0.083 0.000 1.041 157 G CA 0.171 45.235 45.100 -0.059 0.000 0.807 157 G HN 0.153 nan 8.290 nan 0.000 0.502 158 V N 1.667 121.535 119.914 -0.076 0.000 2.350 158 V HA 0.449 4.569 4.120 0.001 0.000 0.276 158 V C 0.998 177.056 176.094 -0.060 0.000 1.028 158 V CA -1.375 60.869 62.300 -0.093 0.000 0.860 158 V CB 1.299 33.083 31.823 -0.066 0.000 0.990 158 V HN 0.372 nan 8.190 nan 0.000 0.453 159 R N 2.907 123.345 120.500 -0.103 0.000 2.640 159 R HA 0.238 4.579 4.340 0.001 0.000 0.270 159 R C -0.517 175.892 176.300 0.181 0.000 1.024 159 R CA -0.138 55.980 56.100 0.030 0.000 1.085 159 R CB 0.767 31.073 30.300 0.009 0.000 0.963 159 R HN 0.480 nan 8.270 nan 0.000 0.426 160 V N 2.130 122.157 119.914 0.189 0.000 2.370 160 V HA 0.131 4.252 4.120 0.001 0.000 0.279 160 V C 0.439 176.694 176.094 0.269 0.000 1.029 160 V CA -0.312 62.107 62.300 0.198 0.000 0.870 160 V CB 1.613 33.508 31.823 0.120 0.000 0.984 160 V HN 0.770 nan 8.190 nan 0.000 0.451 161 S N 6.241 122.129 115.700 0.314 0.000 2.437 161 S HA 0.771 5.242 4.470 0.001 0.000 0.305 161 S C -0.996 173.824 174.600 0.368 0.000 1.109 161 S CA -0.540 57.893 58.200 0.388 0.000 1.099 161 S CB 0.923 64.359 63.200 0.393 0.000 1.004 161 S HN 0.677 nan 8.310 nan 0.000 0.475 162 L N 4.087 125.555 121.223 0.408 0.000 2.410 162 L HA 0.635 4.976 4.340 0.001 0.000 0.270 162 L C -1.464 175.663 176.870 0.429 0.000 0.983 162 L CA -0.470 54.551 54.840 0.302 0.000 0.822 162 L CB 2.005 44.216 42.059 0.253 0.000 1.285 162 L HN 0.752 nan 8.230 nan 0.000 0.409 163 D N 3.318 123.887 120.400 0.281 0.000 2.460 163 D HA 0.284 4.925 4.640 0.001 0.000 0.232 163 D C 1.049 177.496 176.300 0.245 0.000 1.079 163 D CA -0.564 53.623 54.000 0.312 0.000 0.864 163 D CB 1.518 42.444 40.800 0.210 0.000 1.048 163 D HN 0.342 nan 8.370 nan 0.000 0.523 164 V N 3.759 123.843 119.914 0.284 0.000 2.242 164 V HA -0.381 3.740 4.120 0.001 0.000 0.257 164 V C 1.471 177.734 176.094 0.282 0.000 1.073 164 V CA 1.881 64.357 62.300 0.293 0.000 1.058 164 V CB -0.948 31.042 31.823 0.277 0.000 0.664 164 V HN 0.975 nan 8.190 nan 0.000 0.451 165 N N -0.007 118.836 118.700 0.239 0.000 2.669 165 N HA -0.267 4.474 4.740 0.001 0.000 0.266 165 N C -0.550 175.097 175.510 0.229 0.000 1.024 165 N CA 0.532 53.693 53.050 0.184 0.000 0.766 165 N CB -0.996 37.558 38.487 0.111 0.000 0.898 165 N HN 0.691 nan 8.380 nan 0.000 0.548 166 Y N 1.928 122.340 120.300 0.186 0.000 2.465 166 Y HA 0.221 4.772 4.550 0.001 0.000 0.331 166 Y C 0.342 176.351 175.900 0.182 0.000 1.102 166 Y CA -0.092 58.162 58.100 0.256 0.000 1.358 166 Y CB 0.538 39.129 38.460 0.220 0.000 1.213 166 Y HN 0.077 nan 8.280 nan 0.000 0.525 167 R N 6.653 126.858 120.500 -0.491 0.000 2.310 167 R HA 0.155 4.495 4.340 0.001 0.000 0.324 167 R C 0.570 176.418 176.300 -0.752 0.000 0.955 167 R CA -0.513 55.270 56.100 -0.529 0.000 0.830 167 R CB 1.367 31.460 30.300 -0.345 0.000 1.154 167 R HN 0.907 nan 8.270 nan 0.000 0.458 168 Q N 0.466 119.866 119.800 -0.667 0.000 2.226 168 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 168 Q C 1.216 177.141 176.000 -0.125 0.000 0.975 168 Q CA 2.082 57.687 55.803 -0.329 0.000 0.866 168 Q CB 0.193 28.874 28.738 -0.095 0.000 0.915 168 Q HN 0.685 nan 8.270 nan 0.000 0.440 169 T N -0.634 113.821 114.554 -0.166 0.000 2.821 169 T HA -0.071 4.280 4.350 0.001 0.000 0.267 169 T C 1.895 176.521 174.700 -0.124 0.000 1.046 169 T CA 0.666 62.691 62.100 -0.124 0.000 1.139 169 T CB -0.229 68.545 68.868 -0.156 0.000 0.871 169 T HN 0.129 nan 8.240 nan 0.000 0.454 170 L N -0.934 120.179 121.223 -0.184 0.000 2.049 170 L HA 0.221 4.562 4.340 0.001 0.000 0.203 170 L C 1.103 177.984 176.870 0.018 0.000 1.074 170 L CA 0.550 55.266 54.840 -0.208 0.000 0.749 170 L CB -0.150 41.625 42.059 -0.474 0.000 0.907 170 L HN 0.536 nan 8.230 nan 0.000 0.439 171 W N -1.600 119.670 121.300 -0.051 0.000 3.042 171 W HA 0.533 5.194 4.660 0.002 0.000 0.342 171 W C -0.427 176.197 176.519 0.175 0.000 1.240 171 W CA -2.199 55.178 57.345 0.053 0.000 1.166 171 W CB -0.168 29.335 29.460 0.072 0.000 1.469 171 W HN -0.104 nan 8.180 nan 0.000 0.579 172 S N 0.177 116.046 115.700 0.281 0.000 2.603 172 S HA 0.399 4.870 4.470 0.001 0.000 0.268 172 S C -1.791 172.765 174.600 -0.074 0.000 1.317 172 S CA -0.669 57.614 58.200 0.138 0.000 1.012 172 S CB 1.728 64.959 63.200 0.052 0.000 0.926 172 S HN 0.305 nan 8.310 nan 0.000 0.539 173 P HA -0.135 nan 4.420 nan 0.000 0.216 173 P C 0.913 177.951 177.300 -0.437 0.000 1.150 173 P CA 1.462 64.289 63.100 -0.455 0.000 0.843 173 P CB -0.022 31.482 31.700 -0.326 0.000 0.787 174 E N -0.269 119.759 120.200 -0.288 0.000 2.072 174 E HA -0.160 4.191 4.350 0.001 0.000 0.191 174 E C 1.945 178.380 176.600 -0.275 0.000 0.985 174 E CA 1.034 57.282 56.400 -0.254 0.000 0.801 174 E CB -0.756 28.851 29.700 -0.155 0.000 0.750 174 E HN 0.394 nan 8.360 nan 0.000 0.452 175 E N 0.726 120.764 120.200 -0.270 0.000 2.110 175 E HA -0.194 4.157 4.350 0.001 0.000 0.193 175 E C 2.062 178.248 176.600 -0.690 0.000 0.988 175 E CA 0.990 57.231 56.400 -0.266 0.000 0.804 175 E CB -0.177 29.494 29.700 -0.048 0.000 0.745 175 E HN 0.301 nan 8.360 nan 0.000 0.458 176 A N 1.544 123.684 122.820 -1.133 0.000 1.873 176 A HA -0.154 4.167 4.320 0.001 0.000 0.215 176 A C 2.073 179.346 177.584 -0.519 0.000 1.186 176 A CA 1.102 52.300 52.037 -1.399 0.000 0.616 176 A CB -0.295 18.039 19.000 -1.111 0.000 0.823 176 A HN 0.060 nan 8.150 nan 0.000 0.442 177 R N -0.785 119.470 120.500 -0.408 0.000 2.096 177 R HA -0.090 4.251 4.340 0.001 0.000 0.235 177 R C 2.376 178.598 176.300 -0.129 0.000 1.127 177 R CA 1.060 57.017 56.100 -0.237 0.000 0.968 177 R CB -0.682 29.392 30.300 -0.378 0.000 0.861 177 R HN 0.528 nan 8.270 nan 0.000 0.440 178 G N 0.986 109.697 108.800 -0.149 0.000 2.440 178 G HA2 -0.312 3.648 3.960 0.001 0.000 0.218 178 G HA3 -0.312 3.648 3.960 0.001 0.000 0.218 178 G C 1.216 176.125 174.900 0.015 0.000 1.154 178 G CA 0.561 45.627 45.100 -0.057 0.000 0.767 178 G HN 0.264 nan 8.290 nan 0.000 0.552 179 F N 1.490 121.394 119.950 -0.077 0.000 2.060 179 F HA 0.034 4.562 4.527 0.001 0.000 0.295 179 F C 2.588 178.436 175.800 0.079 0.000 1.120 179 F CA 1.285 59.326 58.000 0.069 0.000 1.205 179 F CB -0.445 38.691 39.000 0.228 0.000 0.986 179 F HN 0.056 nan 8.300 nan 0.000 0.470 180 L N 0.195 121.468 121.223 0.084 0.000 2.021 180 L HA -0.284 4.057 4.340 0.001 0.000 0.215 180 L C 2.470 179.301 176.870 -0.065 0.000 1.074 180 L CA 2.143 57.005 54.840 0.037 0.000 0.760 180 L CB -1.260 40.909 42.059 0.183 0.000 0.889 180 L HN 0.256 nan 8.230 nan 0.000 0.433 181 E N 0.064 120.246 120.200 -0.030 0.000 2.219 181 E HA -0.266 4.085 4.350 0.001 0.000 0.198 181 E C 2.357 178.908 176.600 -0.082 0.000 0.998 181 E CA 1.213 57.595 56.400 -0.030 0.000 0.818 181 E CB 0.113 29.799 29.700 -0.023 0.000 0.741 181 E HN 0.334 nan 8.360 nan 0.000 0.477 182 R N -0.930 119.475 120.500 -0.159 0.000 2.128 182 R HA 0.102 4.443 4.340 0.001 0.000 0.211 182 R C 2.037 178.189 176.300 -0.245 0.000 1.067 182 R CA 0.897 56.890 56.100 -0.177 0.000 1.010 182 R CB 0.043 30.245 30.300 -0.163 0.000 0.922 182 R HN 0.093 nan 8.270 nan 0.000 0.457 183 A N 0.967 123.526 122.820 -0.436 0.000 1.935 183 A HA -0.047 4.274 4.320 0.001 0.000 0.214 183 A C 1.864 179.356 177.584 -0.153 0.000 1.178 183 A CA 0.495 52.305 52.037 -0.378 0.000 0.640 183 A CB -0.482 18.099 19.000 -0.699 0.000 0.825 183 A HN 0.304 nan 8.150 nan 0.000 0.447 184 L N 0.635 121.791 121.223 -0.112 0.000 2.082 184 L HA -0.208 4.133 4.340 0.001 0.000 0.223 184 L C -0.644 176.212 176.870 -0.024 0.000 1.086 184 L CA 2.886 57.705 54.840 -0.036 0.000 0.793 184 L CB -1.441 40.603 42.059 -0.025 0.000 0.896 184 L HN 0.193 nan 8.230 nan 0.000 0.441 185 P HA -0.134 nan 4.420 nan 0.000 0.217 185 P C 1.294 178.587 177.300 -0.012 0.000 1.151 185 P CA 1.905 64.991 63.100 -0.024 0.000 0.849 185 P CB -0.320 31.361 31.700 -0.031 0.000 0.787 186 G N -1.598 107.194 108.800 -0.014 0.000 3.042 186 G HA2 0.099 4.060 3.960 0.001 0.000 0.212 186 G HA3 0.099 4.060 3.960 0.001 0.000 0.212 186 G C 0.223 175.141 174.900 0.030 0.000 1.166 186 G CA -0.021 45.080 45.100 0.001 0.000 0.767 186 G HN 0.143 nan 8.290 nan 0.000 0.546 187 V N 0.993 120.931 119.914 0.040 0.000 2.546 187 V HA 0.222 4.343 4.120 0.001 0.000 0.284 187 V C 0.463 176.603 176.094 0.078 0.000 1.050 187 V CA -0.218 62.128 62.300 0.077 0.000 0.981 187 V CB 1.728 33.603 31.823 0.086 0.000 0.990 187 V HN 0.116 nan 8.190 nan 0.000 0.474 188 D N 2.116 122.585 120.400 0.116 0.000 2.463 188 D HA 0.187 4.828 4.640 0.001 0.000 0.237 188 D C -0.039 176.335 176.300 0.123 0.000 1.013 188 D CA 0.495 54.568 54.000 0.122 0.000 0.910 188 D CB 0.817 41.715 40.800 0.165 0.000 1.080 188 D HN 0.317 nan 8.370 nan 0.000 0.498 189 L N 1.468 122.780 121.223 0.148 0.000 2.376 189 L HA 0.453 4.794 4.340 0.001 0.000 0.275 189 L C -1.705 175.199 176.870 0.057 0.000 0.987 189 L CA -0.924 53.956 54.840 0.067 0.000 0.828 189 L CB 1.785 43.921 42.059 0.128 0.000 1.249 189 L HN -0.204 nan 8.230 nan 0.000 0.409 190 L N 5.181 126.341 121.223 -0.105 0.000 2.333 190 L HA 0.688 5.029 4.340 0.001 0.000 0.280 190 L C -1.611 175.141 176.870 -0.197 0.000 1.004 190 L CA 0.026 54.862 54.840 -0.007 0.000 0.820 190 L CB 1.338 43.415 42.059 0.030 0.000 1.247 190 L HN 0.424 nan 8.230 nan 0.000 0.416 191 F N 6.368 126.374 119.950 0.093 0.000 2.427 191 F HA 0.693 5.221 4.527 0.002 0.000 0.346 191 F C -0.321 175.554 175.800 0.124 0.000 1.120 191 F CA -0.567 57.495 58.000 0.104 0.000 1.033 191 F CB 1.690 40.771 39.000 0.136 0.000 1.126 191 F HN 0.400 nan 8.300 nan 0.000 0.462 192 L N 3.062 124.422 121.223 0.229 0.000 2.445 192 L HA 0.703 5.044 4.340 0.001 0.000 0.262 192 L C -0.485 176.466 176.870 0.135 0.000 0.974 192 L CA -0.491 54.455 54.840 0.176 0.000 0.822 192 L CB 2.135 44.265 42.059 0.117 0.000 1.339 192 L HN 0.557 nan 8.230 nan 0.000 0.409 193 S N 2.020 117.789 115.700 0.114 0.000 2.651 193 S HA 0.486 4.956 4.470 0.001 0.000 0.291 193 S C 0.651 175.286 174.600 0.058 0.000 1.141 193 S CA -0.319 57.914 58.200 0.054 0.000 1.027 193 S CB 1.361 64.588 63.200 0.046 0.000 1.043 193 S HN 0.764 nan 8.310 nan 0.000 0.530 194 E N 0.581 120.793 120.200 0.019 0.000 2.038 194 E HA -0.191 4.160 4.350 0.001 0.000 0.195 194 E C 1.748 178.384 176.600 0.060 0.000 1.000 194 E CA 1.285 57.708 56.400 0.039 0.000 0.803 194 E CB -0.130 29.568 29.700 -0.002 0.000 0.750 194 E HN 0.711 nan 8.360 nan 0.000 0.448 195 E N 1.083 121.314 120.200 0.053 0.000 2.058 195 E HA -0.232 4.119 4.350 0.001 0.000 0.194 195 E C 1.869 178.531 176.600 0.103 0.000 0.997 195 E CA 1.315 57.758 56.400 0.071 0.000 0.801 195 E CB -0.052 29.688 29.700 0.067 0.000 0.746 195 E HN 0.311 nan 8.360 nan 0.000 0.450 196 E N 0.129 120.405 120.200 0.127 0.000 2.033 196 E HA -0.228 4.123 4.350 0.001 0.000 0.199 196 E C 2.062 178.747 176.600 0.140 0.000 1.011 196 E CA 1.376 57.873 56.400 0.162 0.000 0.815 196 E CB -0.240 29.573 29.700 0.189 0.000 0.755 196 E HN 0.291 nan 8.360 nan 0.000 0.451 197 A N 1.244 124.143 122.820 0.131 0.000 1.908 197 A HA -0.287 4.034 4.320 0.001 0.000 0.218 197 A C 2.016 179.706 177.584 0.176 0.000 1.181 197 A CA 1.744 53.868 52.037 0.144 0.000 0.627 197 A CB -0.518 18.520 19.000 0.062 0.000 0.818 197 A HN 0.215 nan 8.150 nan 0.000 0.445 198 E N -0.736 119.533 120.200 0.116 0.000 2.051 198 E HA -0.133 4.218 4.350 0.001 0.000 0.192 198 E C 1.890 178.531 176.600 0.069 0.000 0.991 198 E CA 0.995 57.450 56.400 0.091 0.000 0.799 198 E CB -0.191 29.552 29.700 0.071 0.000 0.748 198 E HN 0.607 nan 8.360 nan 0.000 0.449 199 L N 0.567 121.826 121.223 0.061 0.000 2.465 199 L HA -0.077 4.264 4.340 0.001 0.000 0.224 199 L C 1.662 178.479 176.870 -0.087 0.000 1.145 199 L CA 0.447 55.296 54.840 0.016 0.000 0.834 199 L CB 0.203 42.304 42.059 0.070 0.000 0.944 199 L HN 0.180 nan 8.230 nan 0.000 0.451 200 L N -3.095 118.097 121.223 -0.053 0.000 2.685 200 L HA 0.110 4.451 4.340 0.001 0.000 0.235 200 L C 0.499 177.130 176.870 -0.399 0.000 1.070 200 L CA 0.024 54.727 54.840 -0.228 0.000 0.888 200 L CB 0.374 42.358 42.059 -0.124 0.000 1.203 200 L HN 0.028 nan 8.230 nan 0.000 0.499 201 F N -0.210 119.692 119.950 -0.080 0.000 2.791 201 F HA 0.470 4.998 4.527 0.001 0.000 0.316 201 F C 1.450 177.224 175.800 -0.042 0.000 1.134 201 F CA 0.126 58.090 58.000 -0.061 0.000 1.222 201 F CB 0.569 39.538 39.000 -0.052 0.000 1.034 201 F HN 0.050 nan 8.300 nan 0.000 0.516 202 G N 1.329 110.173 108.800 0.073 0.000 4.148 202 G HA2 -0.316 3.645 3.960 0.001 0.000 0.221 202 G HA3 -0.316 3.645 3.960 0.001 0.000 0.221 202 G C 0.581 175.520 174.900 0.065 0.000 1.373 202 G CA 0.189 45.318 45.100 0.048 0.000 0.940 202 G HN 0.354 nan 8.290 nan 0.000 0.610 203 R N -0.798 119.752 120.500 0.083 0.000 2.725 203 R HA 0.570 4.911 4.340 0.001 0.000 0.277 203 R C 1.277 177.617 176.300 0.068 0.000 0.987 203 R CA -0.423 55.717 56.100 0.068 0.000 0.901 203 R CB 2.062 32.390 30.300 0.046 0.000 1.207 203 R HN 0.142 nan 8.270 nan 0.000 0.463 204 V N 1.601 121.557 119.914 0.070 0.000 2.428 204 V HA -0.324 3.796 4.120 0.001 0.000 0.255 204 V C 1.472 177.569 176.094 0.005 0.000 1.080 204 V CA 2.077 64.417 62.300 0.067 0.000 1.083 204 V CB -0.635 31.271 31.823 0.138 0.000 0.665 204 V HN 0.708 nan 8.190 nan 0.000 0.461 205 E N 0.333 120.531 120.200 -0.003 0.000 2.001 205 E HA -0.215 4.136 4.350 0.001 0.000 0.195 205 E C 2.165 178.715 176.600 -0.084 0.000 1.002 205 E CA 1.415 57.781 56.400 -0.056 0.000 0.819 205 E CB -0.514 29.165 29.700 -0.037 0.000 0.769 205 E HN 0.670 nan 8.360 nan 0.000 0.454 206 E N 1.136 121.317 120.200 -0.031 0.000 2.065 206 E HA -0.278 4.073 4.350 0.001 0.000 0.201 206 E C 1.907 178.438 176.600 -0.116 0.000 1.016 206 E CA 1.899 58.291 56.400 -0.013 0.000 0.818 206 E CB -0.680 29.074 29.700 0.091 0.000 0.749 206 E HN 0.217 nan 8.360 nan 0.000 0.453 207 A N 0.668 123.374 122.820 -0.190 0.000 1.896 207 A HA -0.247 4.074 4.320 0.001 0.000 0.220 207 A C 2.500 179.761 177.584 -0.538 0.000 1.206 207 A CA 2.121 53.745 52.037 -0.688 0.000 0.647 207 A CB -1.142 17.589 19.000 -0.449 0.000 0.828 207 A HN 0.400 nan 8.150 nan 0.000 0.455 208 L N -1.866 119.160 121.223 -0.328 0.000 2.079 208 L HA -0.192 4.149 4.340 0.001 0.000 0.210 208 L C 2.808 179.503 176.870 -0.292 0.000 1.081 208 L CA 1.720 56.362 54.840 -0.330 0.000 0.752 208 L CB -0.352 41.462 42.059 -0.408 0.000 0.896 208 L HN 0.342 nan 8.230 nan 0.000 0.433 209 R N 0.013 120.372 120.500 -0.235 0.000 2.093 209 R HA 0.003 4.344 4.340 0.001 0.000 0.224 209 R C 2.213 178.427 176.300 -0.143 0.000 1.101 209 R CA 1.361 57.360 56.100 -0.169 0.000 0.979 209 R CB -0.475 29.755 30.300 -0.118 0.000 0.877 209 R HN 0.289 nan 8.270 nan 0.000 0.441 210 A N 0.277 122.999 122.820 -0.165 0.000 1.873 210 A HA 0.018 4.339 4.320 0.001 0.000 0.215 210 A C 1.219 178.716 177.584 -0.144 0.000 1.186 210 A CA 0.967 52.943 52.037 -0.102 0.000 0.616 210 A CB -0.379 18.622 19.000 0.000 0.000 0.823 210 A HN 0.263 nan 8.150 nan 0.000 0.442 211 L N 2.049 123.102 121.223 -0.283 0.000 2.934 211 L HA 0.141 4.482 4.340 0.001 0.000 0.233 211 L C 0.197 176.977 176.870 -0.149 0.000 1.358 211 L CA -0.249 54.467 54.840 -0.206 0.000 1.233 211 L CB -0.280 41.606 42.059 -0.288 0.000 1.594 211 L HN 0.345 nan 8.230 nan 0.000 0.439 212 S N -0.029 115.599 115.700 -0.119 0.000 2.701 212 S HA 0.601 5.071 4.470 0.001 0.000 0.317 212 S C 0.320 174.887 174.600 -0.055 0.000 1.149 212 S CA -0.697 57.444 58.200 -0.099 0.000 1.052 212 S CB 0.863 64.007 63.200 -0.093 0.000 1.257 212 S HN 0.366 nan 8.310 nan 0.000 0.532 213 A N 4.311 127.106 122.820 -0.040 0.000 2.281 213 A HA 0.784 5.105 4.320 0.001 0.000 0.329 213 A C -1.292 176.294 177.584 0.003 0.000 1.122 213 A CA -2.232 49.799 52.037 -0.010 0.000 0.850 213 A CB 0.056 19.058 19.000 0.004 0.000 1.207 213 A HN 0.520 nan 8.150 nan 0.000 0.495 214 P HA -0.170 nan 4.420 nan 0.000 0.218 214 P C 0.142 177.467 177.300 0.042 0.000 1.154 214 P CA 1.715 64.835 63.100 0.032 0.000 0.872 214 P CB 0.314 32.041 31.700 0.046 0.000 0.790 215 E N -0.755 119.466 120.200 0.035 0.000 2.302 215 E HA 0.358 4.709 4.350 0.001 0.000 0.263 215 E C -1.635 174.936 176.600 -0.047 0.000 0.897 215 E CA -0.549 55.865 56.400 0.024 0.000 0.809 215 E CB 1.280 31.009 29.700 0.049 0.000 1.270 215 E HN -0.310 nan 8.360 nan 0.000 0.410 216 V N 3.887 123.805 119.914 0.006 0.000 2.581 216 V HA 0.479 4.600 4.120 0.001 0.000 0.303 216 V C -0.366 175.708 176.094 -0.034 0.000 1.041 216 V CA -0.814 61.481 62.300 -0.009 0.000 0.907 216 V CB 1.826 33.713 31.823 0.107 0.000 0.994 216 V HN 0.485 nan 8.190 nan 0.000 0.442 217 V N 5.387 125.171 119.914 -0.217 0.000 2.376 217 V HA 0.383 4.504 4.120 0.001 0.000 0.287 217 V C -0.542 175.559 176.094 0.011 0.000 1.015 217 V CA -0.475 61.681 62.300 -0.241 0.000 0.834 217 V CB 1.518 32.960 31.823 -0.635 0.000 1.001 217 V HN 0.647 nan 8.190 nan 0.000 0.428 218 L N 6.416 127.708 121.223 0.115 0.000 2.259 218 L HA 0.449 4.790 4.340 0.001 0.000 0.288 218 L C 0.400 177.255 176.870 -0.026 0.000 1.051 218 L CA -0.024 54.907 54.840 0.152 0.000 0.824 218 L CB 0.534 42.836 42.059 0.405 0.000 1.206 218 L HN 0.528 nan 8.230 nan 0.000 0.429 219 K N 5.706 126.072 120.400 -0.057 0.000 2.383 219 K HA 0.225 4.546 4.320 0.001 0.000 0.286 219 K C 0.115 176.545 176.600 -0.284 0.000 1.051 219 K CA 0.047 56.166 56.287 -0.280 0.000 0.974 219 K CB 0.575 32.871 32.500 -0.341 0.000 0.968 219 K HN 0.505 nan 8.250 nan 0.000 0.475 220 R N 2.578 122.848 120.500 -0.384 0.000 2.694 220 R HA 0.118 4.459 4.340 0.001 0.000 0.334 220 R C 0.838 176.972 176.300 -0.276 0.000 1.143 220 R CA 0.015 55.897 56.100 -0.363 0.000 1.073 220 R CB 0.430 30.389 30.300 -0.567 0.000 1.366 220 R HN 1.041 nan 8.270 nan 0.000 0.577 221 G N 1.553 110.200 108.800 -0.256 0.000 2.596 221 G HA2 -0.477 3.484 3.960 0.001 0.000 0.304 221 G HA3 -0.477 3.484 3.960 0.001 0.000 0.304 221 G C 0.845 175.629 174.900 -0.193 0.000 1.189 221 G CA 0.340 45.323 45.100 -0.194 0.000 0.986 221 G HN 0.402 nan 8.290 nan 0.000 0.548 222 A N -0.098 122.638 122.820 -0.140 0.000 2.123 222 A HA 0.316 4.637 4.320 0.001 0.000 0.214 222 A C 1.865 179.367 177.584 -0.137 0.000 1.152 222 A CA 1.774 53.742 52.037 -0.114 0.000 0.728 222 A CB -0.212 18.746 19.000 -0.071 0.000 0.814 222 A HN 0.617 nan 8.150 nan 0.000 0.464 223 K N 0.305 120.603 120.400 -0.169 0.000 2.665 223 K HA 0.229 4.550 4.320 0.001 0.000 0.196 223 K C 1.249 177.690 176.600 -0.264 0.000 1.021 223 K CA 0.278 56.449 56.287 -0.194 0.000 1.066 223 K CB -0.495 31.873 32.500 -0.219 0.000 0.849 223 K HN 0.596 nan 8.250 nan 0.000 0.500 224 G N 1.141 109.797 108.800 -0.240 0.000 2.552 224 G HA2 -0.183 3.778 3.960 0.001 0.000 0.267 224 G HA3 -0.183 3.778 3.960 0.001 0.000 0.267 224 G C -0.538 174.178 174.900 -0.306 0.000 1.174 224 G CA -0.353 44.605 45.100 -0.236 0.000 0.955 224 G HN 0.719 nan 8.290 nan 0.000 0.546 225 A N -2.467 120.148 122.820 -0.343 0.000 2.601 225 A HA 0.512 4.832 4.320 0.001 0.000 0.303 225 A C -1.296 176.128 177.584 -0.268 0.000 1.004 225 A CA 0.370 52.205 52.037 -0.336 0.000 0.742 225 A CB 0.104 19.084 19.000 -0.034 0.000 1.250 225 A HN 1.568 nan 8.150 nan 0.000 0.406 226 W N 0.777 121.967 121.300 -0.184 0.000 2.512 226 W HA 0.688 5.349 4.660 0.001 0.000 0.335 226 W C 0.270 176.420 176.519 -0.615 0.000 1.088 226 W CA -0.552 56.535 57.345 -0.429 0.000 1.236 226 W CB 2.081 31.156 29.460 -0.641 0.000 1.307 226 W HN 1.319 nan 8.180 nan 0.000 0.567 227 A N 3.415 126.020 122.820 -0.359 0.000 2.285 227 A HA 0.710 5.030 4.320 0.001 0.000 0.310 227 A C -1.577 175.764 177.584 -0.404 0.000 1.266 227 A CA -0.540 51.292 52.037 -0.341 0.000 0.832 227 A CB -0.102 18.832 19.000 -0.109 0.000 1.163 227 A HN 0.354 nan 8.150 nan 0.000 0.499 228 F N 3.405 123.355 119.950 -0.001 0.000 2.303 228 F HA 0.398 4.926 4.527 0.001 0.000 0.368 228 F C 0.886 176.674 175.800 -0.020 0.000 1.105 228 F CA -0.297 57.692 58.000 -0.019 0.000 1.153 228 F CB 0.828 39.806 39.000 -0.037 0.000 1.362 228 F HN 0.336 nan 8.300 nan 0.000 0.511 229 V N 0.388 120.376 119.914 0.124 0.000 3.505 229 V HA 0.065 4.186 4.120 0.001 0.000 0.200 229 V C 0.679 176.817 176.094 0.075 0.000 1.192 229 V CA -0.035 62.319 62.300 0.089 0.000 1.397 229 V CB 0.039 31.906 31.823 0.073 0.000 1.403 229 V HN 0.378 nan 8.190 nan 0.000 0.489 230 D N 0.803 121.237 120.400 0.057 0.000 2.713 230 D HA 0.334 4.975 4.640 0.001 0.000 0.229 230 D C 1.257 177.579 176.300 0.037 0.000 1.136 230 D CA 1.044 55.068 54.000 0.041 0.000 1.010 230 D CB 0.193 41.012 40.800 0.031 0.000 1.084 230 D HN 0.745 nan 8.370 nan 0.000 0.495 231 G N 2.104 110.930 108.800 0.044 0.000 2.322 231 G HA2 -0.380 3.581 3.960 0.001 0.000 0.264 231 G HA3 -0.380 3.581 3.960 0.001 0.000 0.264 231 G C 0.880 175.811 174.900 0.051 0.000 0.992 231 G CA 0.249 45.369 45.100 0.033 0.000 0.624 231 G HN 0.442 nan 8.290 nan 0.000 0.543 232 R N 0.498 121.030 120.500 0.054 0.000 2.641 232 R HA 0.482 4.822 4.340 0.001 0.000 0.269 232 R C 0.709 177.052 176.300 0.073 0.000 1.074 232 R CA -0.310 55.816 56.100 0.045 0.000 1.133 232 R CB 0.310 30.628 30.300 0.030 0.000 1.029 232 R HN 0.179 nan 8.270 nan 0.000 0.488 233 R N 4.138 124.657 120.500 0.031 0.000 2.443 233 R HA 0.193 4.534 4.340 0.001 0.000 0.287 233 R C -1.580 174.661 176.300 -0.099 0.000 1.425 233 R CA -0.363 55.720 56.100 -0.027 0.000 1.300 233 R CB 0.613 30.920 30.300 0.012 0.000 1.129 233 R HN 0.363 nan 8.270 nan 0.000 0.577 234 V N 3.168 123.026 119.914 -0.093 0.000 2.649 234 V HA 0.217 4.338 4.120 0.001 0.000 0.292 234 V C 0.557 176.653 176.094 0.004 0.000 1.055 234 V CA -0.193 62.087 62.300 -0.033 0.000 1.023 234 V CB 1.495 33.316 31.823 -0.004 0.000 0.992 234 V HN 0.624 nan 8.190 nan 0.000 0.480 235 E N 2.214 122.461 120.200 0.078 0.000 2.207 235 E HA 0.695 5.045 4.350 0.001 0.000 0.270 235 E C -0.339 176.308 176.600 0.079 0.000 0.927 235 E CA -0.598 55.919 56.400 0.195 0.000 0.799 235 E CB 2.016 31.882 29.700 0.276 0.000 1.172 235 E HN 0.824 nan 8.360 nan 0.000 0.404 236 G N 1.161 109.981 108.800 0.033 0.000 2.662 236 G HA2 0.385 4.346 3.960 0.001 0.000 0.302 236 G HA3 0.385 4.346 3.960 0.001 0.000 0.302 236 G C -1.351 173.501 174.900 -0.081 0.000 1.389 236 G CA -0.551 44.539 45.100 -0.018 0.000 0.998 236 G HN 0.353 nan 8.290 nan 0.000 0.502 237 S N 0.296 115.923 115.700 -0.122 0.000 2.489 237 S HA 0.722 5.193 4.470 0.001 0.000 0.291 237 S C 0.700 175.145 174.600 -0.259 0.000 1.151 237 S CA -0.148 57.953 58.200 -0.164 0.000 1.082 237 S CB 0.968 64.086 63.200 -0.137 0.000 1.019 237 S HN 1.281 nan 8.310 nan 0.000 0.492 238 A N 3.613 126.311 122.820 -0.202 0.000 2.366 238 A HA 0.551 4.872 4.320 0.001 0.000 0.249 238 A C -0.532 176.935 177.584 -0.195 0.000 1.084 238 A CA -0.164 51.765 52.037 -0.181 0.000 0.794 238 A CB -0.130 18.810 19.000 -0.100 0.000 1.034 238 A HN 0.743 nan 8.150 nan 0.000 0.491 239 F N 0.954 120.910 119.950 0.011 0.000 2.438 239 F HA 0.430 4.957 4.527 0.001 0.000 0.356 239 F C 1.183 176.982 175.800 -0.002 0.000 1.099 239 F CA 0.079 58.085 58.000 0.010 0.000 1.185 239 F CB 0.931 39.944 39.000 0.020 0.000 1.115 239 F HN 0.645 nan 8.300 nan 0.000 0.526 240 A N 4.286 127.222 122.820 0.195 0.000 2.513 240 A HA 0.420 4.740 4.320 0.001 0.000 0.274 240 A C -0.214 177.423 177.584 0.087 0.000 1.115 240 A CA 0.149 52.247 52.037 0.101 0.000 0.792 240 A CB -0.338 18.708 19.000 0.076 0.000 1.053 240 A HN 0.675 nan 8.150 nan 0.000 0.515 241 V N 2.264 122.213 119.914 0.058 0.000 3.188 241 V HA 0.509 4.630 4.120 0.001 0.000 0.305 241 V C -0.709 175.390 176.094 0.009 0.000 1.232 241 V CA -0.721 61.598 62.300 0.032 0.000 1.043 241 V CB 2.335 34.181 31.823 0.039 0.000 1.068 241 V HN 0.962 nan 8.190 nan 0.000 0.439 242 E N 3.221 123.418 120.200 -0.005 0.000 1.963 242 E HA 0.628 4.979 4.350 0.001 0.000 0.274 242 E C 0.096 176.677 176.600 -0.032 0.000 1.061 242 E CA 0.067 56.456 56.400 -0.017 0.000 0.847 242 E CB 0.904 30.592 29.700 -0.020 0.000 1.083 242 E HN 1.039 nan 8.360 nan 0.000 0.402 243 A N 4.369 127.168 122.820 -0.035 0.000 2.540 243 A HA 0.041 4.362 4.320 0.001 0.000 0.264 243 A C 0.831 178.363 177.584 -0.086 0.000 1.080 243 A CA -0.074 51.930 52.037 -0.054 0.000 0.776 243 A CB 0.071 19.041 19.000 -0.049 0.000 1.011 243 A HN 0.606 nan 8.150 nan 0.000 0.514 244 V N 2.222 122.071 119.914 -0.109 0.000 2.339 244 V HA 0.064 4.185 4.120 0.001 0.000 0.234 244 V C 0.842 176.775 176.094 -0.268 0.000 1.053 244 V CA 1.571 63.779 62.300 -0.152 0.000 1.042 244 V CB -0.252 31.495 31.823 -0.127 0.000 0.678 244 V HN 0.843 nan 8.190 nan 0.000 0.475 245 D N 0.490 120.730 120.400 -0.267 0.000 2.378 245 D HA 0.249 4.890 4.640 0.001 0.000 0.265 245 D C -1.925 174.264 176.300 -0.186 0.000 1.229 245 D CA -1.997 51.771 54.000 -0.387 0.000 0.914 245 D CB 1.583 42.169 40.800 -0.358 0.000 1.140 245 D HN 0.153 nan 8.370 nan 0.000 0.516 246 P HA -0.126 nan 4.420 nan 0.000 0.227 246 P C 0.706 178.016 177.300 0.018 0.000 1.145 246 P CA 0.188 63.268 63.100 -0.034 0.000 0.769 246 P CB 0.436 32.128 31.700 -0.013 0.000 0.769 247 V N 0.545 120.492 119.914 0.056 0.000 2.585 247 V HA 0.294 4.414 4.120 0.001 0.000 0.296 247 V C 1.808 177.941 176.094 0.066 0.000 1.035 247 V CA 1.637 63.997 62.300 0.100 0.000 1.084 247 V CB -0.036 31.902 31.823 0.192 0.000 0.953 247 V HN 0.491 nan 8.190 nan 0.000 0.483 248 G N 4.247 113.092 108.800 0.076 0.000 2.199 248 G HA2 -0.251 3.709 3.960 0.001 0.000 0.254 248 G HA3 -0.251 3.709 3.960 0.001 0.000 0.254 248 G C 1.004 175.943 174.900 0.065 0.000 0.982 248 G CA 0.550 45.697 45.100 0.077 0.000 0.632 248 G HN 1.294 nan 8.290 nan 0.000 0.529 249 A N 0.375 123.225 122.820 0.050 0.000 1.930 249 A HA 0.364 4.685 4.320 0.001 0.000 0.217 249 A C 2.746 180.380 177.584 0.084 0.000 1.175 249 A CA 2.209 54.278 52.037 0.054 0.000 0.627 249 A CB -0.919 18.094 19.000 0.021 0.000 0.815 249 A HN 1.582 nan 8.150 nan 0.000 0.443 250 G N -0.234 108.604 108.800 0.063 0.000 2.422 250 G HA2 -0.206 3.754 3.960 0.001 0.000 0.218 250 G HA3 -0.206 3.754 3.960 0.001 0.000 0.218 250 G C 1.105 176.089 174.900 0.140 0.000 1.146 250 G CA 1.185 46.343 45.100 0.096 0.000 0.769 250 G HN 0.451 nan 8.290 nan 0.000 0.547 251 D N 0.995 121.444 120.400 0.081 0.000 2.117 251 D HA 0.007 4.648 4.640 0.001 0.000 0.198 251 D C 2.804 179.100 176.300 -0.006 0.000 0.982 251 D CA 1.150 55.167 54.000 0.029 0.000 0.828 251 D CB -0.415 40.407 40.800 0.036 0.000 0.967 251 D HN 0.297 nan 8.370 nan 0.000 0.464 252 A N 0.316 123.166 122.820 0.051 0.000 1.930 252 A HA -0.146 4.175 4.320 0.001 0.000 0.217 252 A C 2.043 179.676 177.584 0.081 0.000 1.175 252 A CA 0.773 52.839 52.037 0.048 0.000 0.627 252 A CB -0.870 18.178 19.000 0.080 0.000 0.815 252 A HN 0.221 nan 8.150 nan 0.000 0.443 253 F N 1.163 121.100 119.950 -0.022 0.000 2.075 253 F HA -0.096 4.432 4.527 0.001 0.000 0.297 253 F C 2.531 178.325 175.800 -0.010 0.000 1.113 253 F CA 1.188 59.197 58.000 0.014 0.000 1.218 253 F CB -0.655 38.364 39.000 0.032 0.000 0.984 253 F HN 0.249 nan 8.300 nan 0.000 0.472 254 A N 0.553 123.292 122.820 -0.136 0.000 1.883 254 A HA -0.131 4.189 4.320 0.001 0.000 0.217 254 A C 2.444 179.744 177.584 -0.474 0.000 1.186 254 A CA 2.202 53.888 52.037 -0.586 0.000 0.624 254 A CB -1.685 16.783 19.000 -0.888 0.000 0.822 254 A HN 0.551 nan 8.150 nan 0.000 0.444 255 A N -0.651 121.958 122.820 -0.353 0.000 1.940 255 A HA 0.087 4.407 4.320 0.001 0.000 0.219 255 A C 2.397 179.839 177.584 -0.235 0.000 1.176 255 A CA 2.021 53.878 52.037 -0.300 0.000 0.631 255 A CB -1.348 17.526 19.000 -0.210 0.000 0.814 255 A HN 0.773 nan 8.150 nan 0.000 0.446 256 G N -2.106 106.599 108.800 -0.160 0.000 2.408 256 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 256 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 256 G C 1.541 176.362 174.900 -0.131 0.000 1.150 256 G CA 1.185 46.222 45.100 -0.104 0.000 0.776 256 G HN 0.540 nan 8.290 nan 0.000 0.542 257 Y N 0.891 121.022 120.300 -0.281 0.000 2.163 257 Y HA 0.051 4.602 4.550 0.001 0.000 0.288 257 Y C 2.667 178.423 175.900 -0.241 0.000 1.136 257 Y CA 1.162 59.127 58.100 -0.225 0.000 1.147 257 Y CB -0.278 38.094 38.460 -0.147 0.000 0.987 257 Y HN 0.090 nan 8.280 nan 0.000 0.509 258 L N -0.519 120.569 121.223 -0.225 0.000 2.013 258 L HA -0.316 4.025 4.340 0.001 0.000 0.212 258 L C 2.740 179.317 176.870 -0.489 0.000 1.073 258 L CA 1.437 56.012 54.840 -0.442 0.000 0.753 258 L CB -0.981 40.806 42.059 -0.453 0.000 0.890 258 L HN 0.336 nan 8.230 nan 0.000 0.432 259 A N 0.053 122.558 122.820 -0.526 0.000 1.883 259 A HA -0.191 4.130 4.320 0.001 0.000 0.217 259 A C 2.389 179.478 177.584 -0.825 0.000 1.186 259 A CA 1.938 53.428 52.037 -0.912 0.000 0.624 259 A CB -1.413 17.040 19.000 -0.911 0.000 0.822 259 A HN 0.482 nan 8.150 nan 0.000 0.444 260 G N -0.724 107.850 108.800 -0.377 0.000 2.440 260 G HA2 -0.007 3.954 3.960 0.001 0.000 0.218 260 G HA3 -0.007 3.954 3.960 0.001 0.000 0.218 260 G C 1.730 176.526 174.900 -0.173 0.000 1.154 260 G CA 1.561 46.586 45.100 -0.125 0.000 0.767 260 G HN 0.822 nan 8.290 nan 0.000 0.552 261 A N 0.187 122.805 122.820 -0.337 0.000 1.873 261 A HA 0.102 4.423 4.320 0.001 0.000 0.215 261 A C 2.586 180.198 177.584 0.047 0.000 1.186 261 A CA 1.725 53.665 52.037 -0.162 0.000 0.616 261 A CB -0.750 18.102 19.000 -0.247 0.000 0.823 261 A HN 0.257 nan 8.150 nan 0.000 0.442 262 V N -1.523 118.377 119.914 -0.023 0.000 2.380 262 V HA -0.256 3.865 4.120 0.001 0.000 0.251 262 V C 1.973 178.058 176.094 -0.015 0.000 1.063 262 V CA 1.518 63.803 62.300 -0.027 0.000 1.055 262 V CB -0.855 30.783 31.823 -0.308 0.000 0.657 262 V HN 0.793 nan 8.190 nan 0.000 0.455 263 W N -0.075 121.233 121.300 0.012 0.000 3.345 263 W HA 0.458 5.118 4.660 0.001 0.000 0.282 263 W C 1.586 178.097 176.519 -0.014 0.000 1.302 263 W CA 0.242 57.582 57.345 -0.008 0.000 1.724 263 W CB -1.105 28.341 29.460 -0.024 0.000 1.104 263 W HN 0.447 nan 8.180 nan 0.000 0.694 264 G N 1.979 110.878 108.800 0.164 0.000 2.371 264 G HA2 -0.296 3.665 3.960 0.001 0.000 0.299 264 G HA3 -0.296 3.665 3.960 0.001 0.000 0.299 264 G C -0.108 174.839 174.900 0.079 0.000 1.014 264 G CA -0.046 45.111 45.100 0.096 0.000 1.097 264 G HN 0.181 nan 8.290 nan 0.000 0.512 265 L N -0.279 120.983 121.223 0.066 0.000 2.360 265 L HA 0.439 4.780 4.340 0.001 0.000 0.271 265 L C -1.595 175.274 176.870 -0.001 0.000 1.057 265 L CA -2.436 52.431 54.840 0.044 0.000 0.803 265 L CB 1.249 43.352 42.059 0.073 0.000 1.207 265 L HN -0.053 nan 8.230 nan 0.000 0.445 266 P HA -0.042 nan 4.420 nan 0.000 0.268 266 P C 0.852 178.152 177.300 -0.000 0.000 1.208 266 P CA -0.230 62.876 63.100 0.009 0.000 0.777 266 P CB 0.578 32.288 31.700 0.017 0.000 0.875 267 V N 1.393 121.318 119.914 0.019 0.000 2.568 267 V HA -0.240 3.881 4.120 0.001 0.000 0.253 267 V C 1.838 177.970 176.094 0.063 0.000 1.072 267 V CA 1.939 64.270 62.300 0.052 0.000 1.084 267 V CB -1.198 30.670 31.823 0.074 0.000 0.676 267 V HN 0.555 nan 8.190 nan 0.000 0.469 268 E N 0.370 120.594 120.200 0.041 0.000 2.072 268 E HA -0.165 4.186 4.350 0.001 0.000 0.191 268 E C 2.209 178.835 176.600 0.043 0.000 0.985 268 E CA 1.230 57.654 56.400 0.041 0.000 0.801 268 E CB -0.249 29.469 29.700 0.030 0.000 0.750 268 E HN 0.680 nan 8.360 nan 0.000 0.452 269 E N 0.219 120.440 120.200 0.034 0.000 2.285 269 E HA -0.019 4.332 4.350 0.001 0.000 0.194 269 E C 1.977 178.596 176.600 0.032 0.000 0.997 269 E CA 0.249 56.674 56.400 0.042 0.000 0.845 269 E CB 0.062 29.786 29.700 0.040 0.000 0.782 269 E HN 0.162 nan 8.360 nan 0.000 0.491 270 R N 0.516 121.003 120.500 -0.022 0.000 2.073 270 R HA -0.030 4.311 4.340 0.001 0.000 0.229 270 R C 2.417 178.762 176.300 0.075 0.000 1.120 270 R CA 0.741 56.755 56.100 -0.143 0.000 0.967 270 R CB -0.322 29.650 30.300 -0.547 0.000 0.862 270 R HN 0.186 nan 8.270 nan 0.000 0.436 271 L N 0.297 121.617 121.223 0.161 0.000 2.056 271 L HA -0.117 4.224 4.340 0.001 0.000 0.207 271 L C 2.876 179.810 176.870 0.107 0.000 1.078 271 L CA 1.175 56.111 54.840 0.159 0.000 0.749 271 L CB -0.404 41.726 42.059 0.119 0.000 0.901 271 L HN 0.154 nan 8.230 nan 0.000 0.433 272 R N 0.141 120.691 120.500 0.083 0.000 2.080 272 R HA -0.239 4.102 4.340 0.001 0.000 0.236 272 R C 2.335 178.739 176.300 0.173 0.000 1.137 272 R CA 1.781 57.936 56.100 0.092 0.000 0.943 272 R CB -0.352 30.006 30.300 0.097 0.000 0.846 272 R HN 0.161 nan 8.270 nan 0.000 0.431 273 L N 0.639 121.946 121.223 0.140 0.000 2.017 273 L HA -0.102 4.239 4.340 0.001 0.000 0.208 273 L C 2.283 179.230 176.870 0.128 0.000 1.073 273 L CA 2.209 57.137 54.840 0.147 0.000 0.745 273 L CB -0.822 41.309 42.059 0.119 0.000 0.894 273 L HN 0.286 nan 8.230 nan 0.000 0.432 274 A N -0.463 122.390 122.820 0.055 0.000 1.865 274 A HA -0.246 4.075 4.320 0.001 0.000 0.217 274 A C 2.123 179.847 177.584 0.234 0.000 1.191 274 A CA 1.980 53.976 52.037 -0.068 0.000 0.623 274 A CB -0.870 17.809 19.000 -0.535 0.000 0.826 274 A HN 0.626 nan 8.150 nan 0.000 0.444 275 N N -0.346 118.554 118.700 0.335 0.000 2.223 275 N HA -0.139 4.601 4.740 0.001 0.000 0.185 275 N C 1.602 177.363 175.510 0.418 0.000 1.016 275 N CA 1.454 54.735 53.050 0.384 0.000 0.863 275 N CB -0.417 38.152 38.487 0.137 0.000 0.983 275 N HN 0.432 nan 8.380 nan 0.000 0.429 276 L N 0.849 122.346 121.223 0.457 0.000 2.027 276 L HA -0.063 4.278 4.340 0.001 0.000 0.206 276 L C 1.819 178.826 176.870 0.228 0.000 1.074 276 L CA 1.365 56.467 54.840 0.436 0.000 0.745 276 L CB -0.669 41.582 42.059 0.319 0.000 0.898 276 L HN -0.030 nan 8.230 nan 0.000 0.433 277 L N -0.089 121.250 121.223 0.194 0.000 2.093 277 L HA 0.021 4.362 4.340 0.001 0.000 0.208 277 L C 2.591 179.552 176.870 0.152 0.000 1.085 277 L CA 1.766 56.687 54.840 0.136 0.000 0.755 277 L CB -1.874 40.243 42.059 0.096 0.000 0.904 277 L HN 0.356 nan 8.230 nan 0.000 0.435 278 G N -0.995 107.941 108.800 0.227 0.000 2.422 278 G HA2 -0.195 3.766 3.960 0.001 0.000 0.218 278 G HA3 -0.195 3.766 3.960 0.001 0.000 0.218 278 G C 1.714 176.689 174.900 0.124 0.000 1.146 278 G CA 0.852 46.069 45.100 0.195 0.000 0.769 278 G HN 0.480 nan 8.290 nan 0.000 0.547 279 A N 0.728 123.643 122.820 0.159 0.000 1.873 279 A HA 0.054 4.375 4.320 0.001 0.000 0.215 279 A C 2.701 180.322 177.584 0.063 0.000 1.186 279 A CA 2.147 54.258 52.037 0.124 0.000 0.616 279 A CB -0.723 18.407 19.000 0.217 0.000 0.823 279 A HN 0.289 nan 8.150 nan 0.000 0.442 280 S N -0.473 115.261 115.700 0.057 0.000 2.359 280 S HA -0.156 4.315 4.470 0.001 0.000 0.224 280 S C 1.893 176.501 174.600 0.014 0.000 1.035 280 S CA 1.613 59.826 58.200 0.022 0.000 1.018 280 S CB -0.459 62.759 63.200 0.029 0.000 0.876 280 S HN 0.326 nan 8.310 nan 0.000 0.448 281 V N 1.613 121.545 119.914 0.029 0.000 2.427 281 V HA -0.129 3.992 4.120 0.001 0.000 0.248 281 V C 2.520 178.604 176.094 -0.017 0.000 1.051 281 V CA 1.499 63.804 62.300 0.009 0.000 1.048 281 V CB -1.057 30.787 31.823 0.035 0.000 0.666 281 V HN 0.530 nan 8.190 nan 0.000 0.456 282 A N 0.072 122.890 122.820 -0.003 0.000 1.933 282 A HA -0.019 4.302 4.320 0.001 0.000 0.218 282 A C 2.133 179.688 177.584 -0.049 0.000 1.175 282 A CA 1.671 53.693 52.037 -0.025 0.000 0.628 282 A CB -0.532 18.463 19.000 -0.008 0.000 0.814 282 A HN 0.589 nan 8.150 nan 0.000 0.444 283 A N -0.128 122.672 122.820 -0.034 0.000 2.291 283 A HA 0.464 4.785 4.320 0.001 0.000 0.220 283 A C 0.784 178.333 177.584 -0.059 0.000 1.262 283 A CA 0.691 52.701 52.037 -0.044 0.000 0.867 283 A CB -0.769 18.215 19.000 -0.027 0.000 0.888 283 A HN 0.862 nan 8.150 nan 0.000 0.487 284 S N -1.408 114.247 115.700 -0.076 0.000 2.564 284 S HA 0.694 5.165 4.470 0.001 0.000 0.274 284 S C -0.550 173.962 174.600 -0.147 0.000 1.124 284 S CA -0.916 57.228 58.200 -0.093 0.000 0.869 284 S CB 1.565 64.721 63.200 -0.073 0.000 1.105 284 S HN 0.442 nan 8.310 nan 0.000 0.472 285 R N 0.094 120.491 120.500 -0.172 0.000 2.583 285 R HA 0.661 5.002 4.340 0.001 0.000 0.268 285 R C 0.687 176.674 176.300 -0.521 0.000 1.101 285 R CA 1.082 57.020 56.100 -0.271 0.000 1.180 285 R CB 0.294 30.489 30.300 -0.175 0.000 1.128 285 R HN 1.617 nan 8.270 nan 0.000 0.568 286 G N 1.452 109.758 108.800 -0.824 0.000 2.712 286 G HA2 -0.207 3.753 3.960 0.001 0.000 0.683 286 G HA3 -0.207 3.753 3.960 0.001 0.000 0.683 286 G C -0.461 174.170 174.900 -0.448 0.000 1.320 286 G CA -0.119 44.236 45.100 -1.242 0.000 0.847 286 G HN 0.679 nan 8.290 nan 0.000 0.553 287 D N -0.346 119.899 120.400 -0.258 0.000 2.162 287 D HA 0.090 4.731 4.640 0.001 0.000 0.203 287 D C 1.690 178.026 176.300 0.059 0.000 0.967 287 D CA 2.040 56.045 54.000 0.008 0.000 0.840 287 D CB 0.004 40.912 40.800 0.180 0.000 0.972 287 D HN 0.712 nan 8.370 nan 0.000 0.482 288 H N -2.196 116.840 119.070 -0.056 0.000 3.109 288 H HA 0.268 4.824 4.556 0.001 0.000 0.248 288 H C 0.392 175.705 175.328 -0.025 0.000 1.177 288 H CA -0.079 55.948 56.048 -0.035 0.000 0.977 288 H CB 0.143 29.887 29.762 -0.030 0.000 2.165 288 H HN -0.093 nan 8.280 nan 0.000 0.693 289 E N 1.731 121.749 120.200 -0.303 0.000 2.204 289 E HA -0.031 4.320 4.350 0.001 0.000 0.195 289 E C 2.097 178.666 176.600 -0.052 0.000 0.990 289 E CA 1.111 57.391 56.400 -0.199 0.000 0.821 289 E CB -0.279 29.300 29.700 -0.201 0.000 0.750 289 E HN 0.703 nan 8.360 nan 0.000 0.477 290 G N 0.917 109.694 108.800 -0.038 0.000 2.712 290 G HA2 0.096 4.057 3.960 0.001 0.000 0.212 290 G HA3 0.096 4.057 3.960 0.001 0.000 0.212 290 G C 0.705 175.638 174.900 0.054 0.000 1.142 290 G CA 0.308 45.410 45.100 0.004 0.000 0.789 290 G HN 0.307 nan 8.290 nan 0.000 0.535 291 A N 1.901 124.769 122.820 0.080 0.000 2.580 291 A HA 0.399 4.720 4.320 0.001 0.000 0.244 291 A C -1.441 176.231 177.584 0.146 0.000 1.045 291 A CA -0.470 51.625 52.037 0.096 0.000 0.761 291 A CB 0.141 19.196 19.000 0.092 0.000 0.962 291 A HN 0.283 nan 8.150 nan 0.000 0.512 292 P HA 0.334 nan 4.420 nan 0.000 0.276 292 P C -0.946 176.503 177.300 0.249 0.000 1.252 292 P CA -0.071 63.150 63.100 0.201 0.000 0.802 292 P CB 0.554 32.322 31.700 0.114 0.000 1.035 293 Y N -0.403 119.914 120.300 0.029 0.000 2.488 293 Y HA 0.356 4.907 4.550 0.001 0.000 0.325 293 Y C 2.323 178.249 175.900 0.043 0.000 1.204 293 Y CA -0.720 57.402 58.100 0.037 0.000 1.229 293 Y CB 0.609 39.084 38.460 0.025 0.000 1.274 293 Y HN 0.328 nan 8.280 nan 0.000 0.493 294 R N 0.207 120.808 120.500 0.168 0.000 2.083 294 R HA -0.214 4.126 4.340 0.001 0.000 0.237 294 R C 1.339 177.688 176.300 0.083 0.000 1.137 294 R CA 2.158 58.323 56.100 0.110 0.000 0.951 294 R CB 0.016 30.365 30.300 0.082 0.000 0.851 294 R HN 0.801 nan 8.270 nan 0.000 0.434 295 E N 0.412 120.677 120.200 0.108 0.000 2.219 295 E HA -0.198 4.153 4.350 0.001 0.000 0.198 295 E C 1.395 178.019 176.600 0.040 0.000 0.998 295 E CA 1.588 58.024 56.400 0.060 0.000 0.818 295 E CB -0.148 29.587 29.700 0.059 0.000 0.741 295 E HN 0.409 nan 8.360 nan 0.000 0.477 296 D N -0.269 120.172 120.400 0.067 0.000 2.123 296 D HA -0.074 4.567 4.640 0.001 0.000 0.200 296 D C 1.960 178.270 176.300 0.017 0.000 0.976 296 D CA 0.733 54.755 54.000 0.036 0.000 0.831 296 D CB -0.241 40.594 40.800 0.059 0.000 0.974 296 D HN 0.217 nan 8.370 nan 0.000 0.469 297 L N 0.769 122.009 121.223 0.029 0.000 2.017 297 L HA -0.101 4.240 4.340 0.001 0.000 0.208 297 L C 2.214 179.074 176.870 -0.016 0.000 1.073 297 L CA 1.228 56.074 54.840 0.010 0.000 0.745 297 L CB -0.871 41.198 42.059 0.017 0.000 0.894 297 L HN -0.068 nan 8.230 nan 0.000 0.432 298 E N 0.627 120.812 120.200 -0.025 0.000 2.086 298 E HA -0.229 4.122 4.350 0.001 0.000 0.200 298 E C 2.273 178.857 176.600 -0.027 0.000 1.012 298 E CA 1.783 58.160 56.400 -0.038 0.000 0.812 298 E CB -0.423 29.258 29.700 -0.032 0.000 0.743 298 E HN 0.318 nan 8.360 nan 0.000 0.453 299 V N 1.130 121.033 119.914 -0.019 0.000 2.379 299 V HA -0.139 3.982 4.120 0.001 0.000 0.245 299 V C 1.354 177.435 176.094 -0.021 0.000 1.044 299 V CA 0.736 63.025 62.300 -0.020 0.000 1.036 299 V CB -0.299 31.512 31.823 -0.019 0.000 0.664 299 V HN 0.232 nan 8.190 nan 0.000 0.453 300 L N 1.601 122.810 121.223 -0.022 0.000 2.530 300 L HA 0.476 4.816 4.340 0.001 0.000 0.247 300 L C -0.269 176.593 176.870 -0.014 0.000 1.416 300 L CA 0.710 55.534 54.840 -0.026 0.000 1.202 300 L CB -1.211 40.825 42.059 -0.039 0.000 1.415 300 L HN 0.179 nan 8.230 nan 0.000 0.443 301 L N 0.000 121.215 121.223 -0.013 0.000 2.949 301 L HA 0.000 4.341 4.340 0.001 0.000 0.249 301 L CA 0.000 nan 54.840 nan 0.000 0.813 301 L CB 0.000 nan 42.059 nan 0.000 0.961 301 L HN 0.000 nan 8.230 nan 0.000 0.502