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 1w61_1_B DATA FIRST_RESID 42 DATA SEQUENCE FKKSFTCIDM HTEGEAARIV TSGLPHIPGS NMAEKKAYLQ ENMDYLRRGI DATA SEQUENCE MLEPRGHDDM FGAFLFDPIE EGADLGIVFM DTGGYLNMCG HNSIAAVTAA DATA SEQUENCE VETGIVSVPA KATNVPVVLD TPAGLVRGTA HLQSGTESEV SNASIINVPS DATA SEQUENCE FLYQQDVVVV LPKPYGEVRV DIAFGGNFFA IVPAEQLGID ISVQNLSRLQ DATA SEQUENCE EAGELLRTEI NRSVKVQHPQ LPHINTVDCV EIYGPPTNPE ANYKNVVIFG DATA SEQUENCE NRQADRSPCG TGTSAKMATL YAKGQLRIGE TFVYESILGS LFQGRVLGEE DATA SEQUENCE RIPGVKVPVT KDAEEGMLVV TAEITGKAFI MGFNTMLFDP TDPFKNGFTL DATA SEQUENCE KQYIWSS 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 42 F HA 0.000 nan 4.527 nan 0.000 0.279 42 F C 0.000 175.819 175.800 0.031 0.000 0.967 42 F CA 0.000 58.014 58.000 0.024 0.000 1.383 42 F CB 0.000 nan 39.000 nan 0.000 1.145 43 K N 2.379 122.797 120.400 0.030 0.000 2.451 43 K HA 0.532 4.855 4.320 0.005 0.000 0.280 43 K C -0.400 176.220 176.600 0.033 0.000 1.020 43 K CA 0.587 56.894 56.287 0.034 0.000 1.008 43 K CB -0.507 nan 32.500 nan 0.000 0.917 43 K HN 0.866 nan 8.250 nan 0.000 0.478 44 K N 1.184 121.606 120.400 0.037 0.000 2.221 44 K HA 0.511 4.834 4.320 0.005 0.000 0.258 44 K C -0.572 175.985 176.600 -0.071 0.000 0.944 44 K CA -0.573 55.698 56.287 -0.026 0.000 0.823 44 K CB 1.812 34.250 32.500 -0.104 0.000 1.113 44 K HN 0.839 nan 8.250 nan 0.000 0.431 45 S N 1.818 117.450 115.700 -0.113 0.000 2.536 45 S HA 0.694 5.167 4.470 0.005 0.000 0.287 45 S C -1.044 173.545 174.600 -0.017 0.000 1.101 45 S CA -0.889 57.239 58.200 -0.120 0.000 0.950 45 S CB 0.754 63.946 63.200 -0.014 0.000 1.056 45 S HN 0.265 nan 8.310 nan 0.000 0.481 46 F N 1.128 121.202 119.950 0.206 0.000 2.532 46 F HA 0.632 5.163 4.527 0.006 0.000 0.321 46 F C 0.762 176.635 175.800 0.120 0.000 1.089 46 F CA -1.005 57.093 58.000 0.163 0.000 0.926 46 F CB 1.986 41.117 39.000 0.218 0.000 1.168 46 F HN 0.775 nan 8.300 nan 0.000 0.459 47 T N -1.050 113.675 114.554 0.286 0.000 2.837 47 T HA 0.669 5.021 4.350 0.005 0.000 0.285 47 T C -0.580 174.227 174.700 0.178 0.000 0.984 47 T CA -0.534 61.681 62.100 0.192 0.000 1.049 47 T CB 0.860 69.809 68.868 0.135 0.000 0.947 47 T HN 0.617 nan 8.240 nan 0.000 0.472 48 C N 3.537 122.939 119.300 0.169 0.000 2.498 48 C HA 0.579 5.042 4.460 0.005 0.000 0.316 48 C C 0.237 175.320 174.990 0.155 0.000 1.209 48 C CA -1.071 58.029 59.018 0.136 0.000 1.518 48 C CB 0.445 28.259 27.740 0.123 0.000 2.147 48 C HN 0.917 nan 8.230 nan 0.000 0.483 49 I N 2.833 123.478 120.570 0.125 0.000 2.291 49 I HA 0.179 4.352 4.170 0.005 0.000 0.290 49 I C -0.534 175.594 176.117 0.018 0.000 1.050 49 I CA 0.207 61.556 61.300 0.082 0.000 1.245 49 I CB 0.404 38.474 38.000 0.116 0.000 1.405 49 I HN 0.557 nan 8.210 nan 0.000 0.478 50 D N 8.388 128.772 120.400 -0.026 0.000 2.325 50 D HA 0.437 5.080 4.640 0.005 0.000 0.251 50 D C -0.125 176.179 176.300 0.008 0.000 1.196 50 D CA 0.325 54.333 54.000 0.013 0.000 0.866 50 D CB 1.046 41.859 40.800 0.022 0.000 1.101 50 D HN 0.359 nan 8.370 nan 0.000 0.476 51 M N 1.537 121.183 119.600 0.076 0.000 2.761 51 M HA 0.423 4.905 4.480 0.005 0.000 0.305 51 M C -0.513 175.913 176.300 0.209 0.000 1.235 51 M CA -0.988 54.370 55.300 0.097 0.000 0.850 51 M CB 2.431 35.068 32.600 0.062 0.000 1.744 51 M HN 0.415 nan 8.290 nan 0.000 0.480 52 H N -1.858 117.298 119.070 0.144 0.000 2.851 52 H HA 0.620 5.179 4.556 0.004 0.000 0.372 52 H C -1.666 173.782 175.328 0.200 0.000 1.158 52 H CA -0.785 55.359 56.048 0.160 0.000 1.159 52 H CB 1.455 31.285 29.762 0.114 0.000 1.757 52 H HN 0.447 nan 8.280 nan 0.000 0.546 53 T N 3.333 118.021 114.554 0.223 0.000 2.947 53 T HA 0.183 4.536 4.350 0.005 0.000 0.337 53 T C -0.408 174.432 174.700 0.233 0.000 1.139 53 T CA -0.674 61.551 62.100 0.207 0.000 0.992 53 T CB -0.030 69.032 68.868 0.324 0.000 1.043 53 T HN 0.867 nan 8.240 nan 0.000 0.498 54 E N 1.919 122.287 120.200 0.281 0.000 2.360 54 E HA -0.286 4.066 4.350 0.005 0.000 0.238 54 E C 1.164 177.875 176.600 0.185 0.000 1.186 54 E CA 0.633 57.177 56.400 0.240 0.000 0.719 54 E CB -1.541 28.222 29.700 0.105 0.000 1.236 54 E HN 1.170 nan 8.360 nan 0.000 0.386 55 G N 0.023 109.054 108.800 0.385 0.000 2.254 55 G HA2 -0.339 3.624 3.960 0.005 0.000 0.225 55 G HA3 -0.339 3.624 3.960 0.005 0.000 0.225 55 G C 0.067 174.981 174.900 0.023 0.000 1.003 55 G CA 0.201 45.336 45.100 0.059 0.000 0.622 55 G HN 0.319 nan 8.290 nan 0.000 0.507 56 E N 1.620 121.828 120.200 0.014 0.000 2.194 56 E HA 0.684 5.037 4.350 0.005 0.000 0.284 56 E C 0.735 177.345 176.600 0.016 0.000 1.035 56 E CA 0.431 56.752 56.400 -0.132 0.000 0.836 56 E CB 0.682 30.066 29.700 -0.526 0.000 1.070 56 E HN 0.970 nan 8.360 nan 0.000 0.401 57 A N 3.656 126.546 122.820 0.118 0.000 2.483 57 A HA 0.506 4.829 4.320 0.005 0.000 0.238 57 A C -0.073 177.759 177.584 0.413 0.000 1.070 57 A CA 0.400 52.585 52.037 0.247 0.000 0.770 57 A CB 0.265 19.396 19.000 0.218 0.000 1.008 57 A HN 0.793 nan 8.150 nan 0.000 0.497 58 A N 2.285 125.322 122.820 0.362 0.000 2.876 58 A HA 0.521 4.844 4.320 0.005 0.000 0.309 58 A C -0.084 177.628 177.584 0.213 0.000 1.168 58 A CA -0.514 51.743 52.037 0.368 0.000 0.762 58 A CB 0.295 19.475 19.000 0.301 0.000 1.262 58 A HN 0.918 nan 8.150 nan 0.000 0.435 59 R N 3.049 123.652 120.500 0.172 0.000 2.220 59 R HA 0.496 4.839 4.340 0.005 0.000 0.340 59 R C -1.122 175.193 176.300 0.025 0.000 1.076 59 R CA -0.183 55.965 56.100 0.079 0.000 0.920 59 R CB -0.018 30.310 30.300 0.046 0.000 1.062 59 R HN 0.606 nan 8.270 nan 0.000 0.469 60 I N 5.597 126.186 120.570 0.033 0.000 2.297 60 I HA 0.148 4.321 4.170 0.005 0.000 0.291 60 I C -0.294 175.815 176.117 -0.014 0.000 1.033 60 I CA -0.870 60.429 61.300 -0.002 0.000 1.253 60 I CB 1.727 39.743 38.000 0.027 0.000 1.396 60 I HN 0.310 nan 8.210 nan 0.000 0.476 61 V N 5.979 125.846 119.914 -0.079 0.000 2.408 61 V HA 0.091 4.214 4.120 0.005 0.000 0.267 61 V C 1.220 177.278 176.094 -0.059 0.000 1.047 61 V CA 0.025 62.295 62.300 -0.050 0.000 0.937 61 V CB 0.957 32.720 31.823 -0.101 0.000 0.999 61 V HN 0.920 nan 8.190 nan 0.000 0.472 62 T N -0.101 114.448 114.554 -0.009 0.000 3.014 62 T HA 0.230 4.583 4.350 0.005 0.000 0.250 62 T C 0.600 175.284 174.700 -0.027 0.000 1.060 62 T CA 0.466 62.554 62.100 -0.020 0.000 1.040 62 T CB 0.301 69.188 68.868 0.030 0.000 0.971 62 T HN 0.793 nan 8.240 nan 0.000 0.497 63 S N -1.444 114.260 115.700 0.006 0.000 2.611 63 S HA 0.596 5.069 4.470 0.005 0.000 0.268 63 S C 0.660 175.318 174.600 0.097 0.000 1.156 63 S CA -0.071 58.138 58.200 0.014 0.000 0.817 63 S CB 1.095 64.318 63.200 0.039 0.000 1.122 63 S HN 1.280 nan 8.310 nan 0.000 0.466 64 G N 0.009 108.869 108.800 0.099 0.000 2.195 64 G HA2 -0.184 3.779 3.960 0.005 0.000 0.246 64 G HA3 -0.184 3.779 3.960 0.005 0.000 0.246 64 G C -0.014 175.041 174.900 0.258 0.000 0.984 64 G CA 0.004 45.269 45.100 0.274 0.000 0.633 64 G HN 1.008 nan 8.290 nan 0.000 0.525 65 L N 2.263 123.403 121.223 -0.138 0.000 2.483 65 L HA 0.313 4.656 4.340 0.005 0.000 0.276 65 L C -0.970 175.790 176.870 -0.184 0.000 1.213 65 L CA -1.513 53.158 54.840 -0.283 0.000 0.843 65 L CB -0.118 41.688 42.059 -0.423 0.000 1.107 65 L HN 0.034 nan 8.230 nan 0.000 0.487 66 P HA 0.024 nan 4.420 nan 0.000 0.270 66 P C -0.667 176.527 177.300 -0.177 0.000 1.223 66 P CA -0.105 62.937 63.100 -0.096 0.000 0.785 66 P CB 0.305 32.019 31.700 0.024 0.000 0.923 67 H N 1.279 120.348 119.070 -0.001 0.000 2.722 67 H HA 0.207 4.766 4.556 0.005 0.000 0.328 67 H C 0.102 175.364 175.328 -0.110 0.000 1.067 67 H CA 0.323 56.352 56.048 -0.032 0.000 1.447 67 H CB 0.378 30.123 29.762 -0.029 0.000 1.469 67 H HN 0.175 nan 8.280 nan 0.000 0.544 68 I N 6.317 126.853 120.570 -0.057 0.000 2.436 68 I HA 0.201 4.374 4.170 0.005 0.000 0.289 68 I C -1.827 174.035 176.117 -0.424 0.000 1.010 68 I CA -2.628 58.460 61.300 -0.355 0.000 1.098 68 I CB 1.430 39.282 38.000 -0.246 0.000 1.266 68 I HN 0.380 nan 8.210 nan 0.000 0.434 69 P HA 0.521 nan 4.420 nan 0.000 0.286 69 P C -0.222 176.851 177.300 -0.379 0.000 1.293 69 P CA -0.061 62.786 63.100 -0.422 0.000 0.770 69 P CB 0.869 32.332 31.700 -0.394 0.000 1.206 70 G N -1.674 106.971 108.800 -0.258 0.000 2.435 70 G HA2 0.176 4.139 3.960 0.005 0.000 0.603 70 G HA3 0.176 4.139 3.960 0.005 0.000 0.603 70 G C 0.079 174.871 174.900 -0.179 0.000 1.496 70 G CA 0.063 45.032 45.100 -0.218 0.000 0.896 70 G HN 0.583 nan 8.290 nan 0.000 0.657 71 S N -0.511 115.105 115.700 -0.140 0.000 2.540 71 S HA 0.424 4.897 4.470 0.005 0.000 0.218 71 S C 0.601 175.135 174.600 -0.110 0.000 0.977 71 S CA 0.822 58.956 58.200 -0.111 0.000 0.918 71 S CB -0.178 62.972 63.200 -0.083 0.000 0.806 71 S HN 2.004 nan 8.310 nan 0.000 0.496 72 N N -1.217 117.399 118.700 -0.140 0.000 3.046 72 N HA 0.359 5.102 4.740 0.005 0.000 0.243 72 N C 0.116 175.515 175.510 -0.184 0.000 1.452 72 N CA -0.888 52.083 53.050 -0.133 0.000 0.882 72 N CB -0.002 38.424 38.487 -0.103 0.000 1.425 72 N HN -0.204 nan 8.380 nan 0.000 0.517 73 M N 0.143 119.647 119.600 -0.160 0.000 2.229 73 M HA 0.107 4.590 4.480 0.005 0.000 0.264 73 M C 1.817 178.002 176.300 -0.192 0.000 1.063 73 M CA 1.682 56.873 55.300 -0.183 0.000 1.114 73 M CB -1.677 30.868 32.600 -0.092 0.000 1.387 73 M HN 0.873 nan 8.290 nan 0.000 0.420 74 A N -0.098 122.593 122.820 -0.214 0.000 1.902 74 A HA -0.169 4.154 4.320 0.005 0.000 0.217 74 A C 2.102 179.508 177.584 -0.297 0.000 1.181 74 A CA 1.618 53.447 52.037 -0.347 0.000 0.623 74 A CB -0.606 17.956 19.000 -0.730 0.000 0.818 74 A HN 0.564 nan 8.150 nan 0.000 0.443 75 E N -0.151 119.902 120.200 -0.247 0.000 2.106 75 E HA -0.156 4.197 4.350 0.005 0.000 0.192 75 E C 1.999 178.480 176.600 -0.200 0.000 0.984 75 E CA 1.093 57.377 56.400 -0.193 0.000 0.806 75 E CB -0.115 29.490 29.700 -0.159 0.000 0.750 75 E HN 0.550 nan 8.360 nan 0.000 0.458 76 K N 1.070 121.299 120.400 -0.285 0.000 2.057 76 K HA -0.160 4.163 4.320 0.005 0.000 0.207 76 K C 2.202 178.624 176.600 -0.298 0.000 1.049 76 K CA 0.885 56.941 56.287 -0.385 0.000 0.931 76 K CB -0.143 31.918 32.500 -0.732 0.000 0.714 76 K HN -0.014 nan 8.250 nan 0.000 0.440 77 K N 1.214 121.460 120.400 -0.257 0.000 2.044 77 K HA -0.190 4.133 4.320 0.005 0.000 0.210 77 K C 2.151 178.541 176.600 -0.350 0.000 1.049 77 K CA 1.562 57.694 56.287 -0.258 0.000 0.927 77 K CB -0.170 32.248 32.500 -0.137 0.000 0.713 77 K HN 0.110 nan 8.250 nan 0.000 0.443 78 A N 0.308 122.987 122.820 -0.236 0.000 1.940 78 A HA -0.207 4.116 4.320 0.005 0.000 0.219 78 A C 2.082 179.555 177.584 -0.185 0.000 1.176 78 A CA 1.529 53.449 52.037 -0.196 0.000 0.631 78 A CB -0.894 18.030 19.000 -0.127 0.000 0.814 78 A HN 0.627 nan 8.150 nan 0.000 0.446 79 Y N 0.351 120.502 120.300 -0.250 0.000 2.200 79 Y HA -0.144 4.409 4.550 0.004 0.000 0.290 79 Y C 1.997 177.755 175.900 -0.235 0.000 1.137 79 Y CA 1.823 59.795 58.100 -0.212 0.000 1.163 79 Y CB -0.203 38.133 38.460 -0.206 0.000 0.988 79 Y HN 0.230 nan 8.280 nan 0.000 0.518 80 L N -0.022 121.102 121.223 -0.165 0.000 1.994 80 L HA -0.285 4.057 4.340 0.005 0.000 0.208 80 L C 2.644 179.332 176.870 -0.303 0.000 1.071 80 L CA 2.011 56.703 54.840 -0.246 0.000 0.745 80 L CB -0.820 41.080 42.059 -0.264 0.000 0.892 80 L HN 0.267 nan 8.230 nan 0.000 0.431 81 Q N 0.336 119.827 119.800 -0.514 0.000 2.077 81 Q HA -0.262 4.081 4.340 0.005 0.000 0.206 81 Q C 1.991 177.905 176.000 -0.144 0.000 0.989 81 Q CA 2.138 57.739 55.803 -0.337 0.000 0.853 81 Q CB 0.048 28.538 28.738 -0.414 0.000 0.907 81 Q HN 0.502 nan 8.270 nan 0.000 0.418 82 E N -0.871 119.201 120.200 -0.213 0.000 2.122 82 E HA -0.028 4.325 4.350 0.005 0.000 0.190 82 E C 1.368 177.835 176.600 -0.220 0.000 0.977 82 E CA 0.880 57.170 56.400 -0.182 0.000 0.820 82 E CB 0.263 29.850 29.700 -0.189 0.000 0.770 82 E HN 0.423 nan 8.360 nan 0.000 0.462 83 N N -0.733 117.747 118.700 -0.367 0.000 2.317 83 N HA 0.166 4.909 4.740 0.005 0.000 0.199 83 N C 0.486 175.860 175.510 -0.227 0.000 1.145 83 N CA 0.392 53.226 53.050 -0.361 0.000 0.882 83 N CB 0.890 38.931 38.487 -0.744 0.000 1.113 83 N HN 0.082 nan 8.380 nan 0.000 0.486 84 M N 0.368 119.784 119.600 -0.307 0.000 3.320 84 M HA 0.150 4.633 4.480 0.005 0.000 0.414 84 M C -0.075 175.889 176.300 -0.561 0.000 1.553 84 M CA -0.045 54.927 55.300 -0.546 0.000 0.742 84 M CB 1.160 33.503 32.600 -0.428 0.000 1.434 84 M HN -0.229 nan 8.290 nan 0.000 0.505 85 D N 0.267 120.526 120.400 -0.236 0.000 2.310 85 D HA -0.150 4.493 4.640 0.005 0.000 0.212 85 D C 1.687 177.983 176.300 -0.007 0.000 0.965 85 D CA 1.543 55.540 54.000 -0.004 0.000 0.879 85 D CB 0.195 41.063 40.800 0.113 0.000 0.921 85 D HN 0.595 nan 8.370 nan 0.000 0.510 86 Y N -0.840 119.512 120.300 0.086 0.000 2.421 86 Y HA 0.014 4.567 4.550 0.004 0.000 0.292 86 Y C 1.830 177.770 175.900 0.066 0.000 1.136 86 Y CA 0.430 58.572 58.100 0.070 0.000 1.255 86 Y CB -0.832 37.654 38.460 0.043 0.000 0.991 86 Y HN -0.035 nan 8.280 nan 0.000 0.552 87 L N 0.566 121.678 121.223 -0.185 0.000 2.005 87 L HA -0.166 4.177 4.340 0.005 0.000 0.207 87 L C 2.967 179.929 176.870 0.152 0.000 1.072 87 L CA 1.905 56.753 54.840 0.015 0.000 0.744 87 L CB -0.631 41.399 42.059 -0.048 0.000 0.895 87 L HN 0.196 nan 8.230 nan 0.000 0.433 88 R N 0.633 121.241 120.500 0.179 0.000 2.103 88 R HA -0.200 4.143 4.340 0.005 0.000 0.242 88 R C 2.441 178.764 176.300 0.038 0.000 1.142 88 R CA 1.712 57.865 56.100 0.088 0.000 0.960 88 R CB -0.134 30.160 30.300 -0.010 0.000 0.858 88 R HN 0.299 nan 8.270 nan 0.000 0.439 89 R N -0.693 119.854 120.500 0.078 0.000 2.092 89 R HA -0.037 4.306 4.340 0.005 0.000 0.231 89 R C 2.429 178.812 176.300 0.138 0.000 1.119 89 R CA 1.205 57.358 56.100 0.090 0.000 0.970 89 R CB -0.439 29.940 30.300 0.132 0.000 0.864 89 R HN 0.421 nan 8.270 nan 0.000 0.440 90 G N 1.110 110.032 108.800 0.204 0.000 2.422 90 G HA2 -0.205 3.758 3.960 0.005 0.000 0.218 90 G HA3 -0.205 3.758 3.960 0.005 0.000 0.218 90 G C 1.422 176.578 174.900 0.425 0.000 1.146 90 G CA 0.573 45.888 45.100 0.358 0.000 0.769 90 G HN 0.169 nan 8.290 nan 0.000 0.547 91 I N 0.081 120.841 120.570 0.316 0.000 2.480 91 I HA -0.007 4.166 4.170 0.005 0.000 0.251 91 I C 2.641 178.813 176.117 0.090 0.000 1.124 91 I CA 0.542 62.006 61.300 0.274 0.000 1.444 91 I CB -0.048 38.084 38.000 0.219 0.000 1.098 91 I HN 0.092 nan 8.210 nan 0.000 0.428 92 M N 0.249 119.855 119.600 0.010 0.000 2.357 92 M HA 0.175 4.658 4.480 0.005 0.000 0.266 92 M C 1.126 177.367 176.300 -0.099 0.000 1.095 92 M CA 0.973 56.225 55.300 -0.079 0.000 1.156 92 M CB -0.292 32.225 32.600 -0.139 0.000 1.365 92 M HN 0.037 nan 8.290 nan 0.000 0.447 93 L N 0.251 121.433 121.223 -0.069 0.000 2.416 93 L HA 0.233 4.576 4.340 0.005 0.000 0.262 93 L C 0.646 177.401 176.870 -0.192 0.000 1.093 93 L CA -0.767 53.988 54.840 -0.141 0.000 0.801 93 L CB 0.500 42.486 42.059 -0.121 0.000 1.191 93 L HN 0.117 nan 8.230 nan 0.000 0.459 94 E N 1.964 121.930 120.200 -0.390 0.000 2.459 94 E HA -0.066 4.287 4.350 0.005 0.000 0.264 94 E C -1.612 174.681 176.600 -0.511 0.000 1.055 94 E CA -0.966 55.097 56.400 -0.561 0.000 0.957 94 E CB 0.491 29.545 29.700 -1.077 0.000 0.952 94 E HN 0.380 nan 8.360 nan 0.000 0.448 95 P HA -0.010 nan 4.420 nan 0.000 0.240 95 P C 0.586 177.858 177.300 -0.047 0.000 1.190 95 P CA 0.848 63.889 63.100 -0.097 0.000 0.781 95 P CB 0.350 32.081 31.700 0.051 0.000 0.931 96 R N -0.409 120.078 120.500 -0.023 0.000 2.200 96 R HA 0.187 4.530 4.340 0.005 0.000 0.208 96 R C 1.678 177.990 176.300 0.020 0.000 1.033 96 R CA 1.020 57.118 56.100 -0.003 0.000 1.000 96 R CB -0.168 30.137 30.300 0.009 0.000 0.906 96 R HN 0.241 nan 8.270 nan 0.000 0.462 97 G N -0.936 107.862 108.800 -0.003 0.000 3.264 97 G HA2 0.449 4.412 3.960 0.005 0.000 0.168 97 G HA3 0.449 4.412 3.960 0.005 0.000 0.168 97 G C -0.976 173.951 174.900 0.046 0.000 1.145 97 G CA -0.369 44.736 45.100 0.009 0.000 0.855 97 G HN 0.431 nan 8.290 nan 0.000 0.629 98 H N -3.729 115.278 119.070 -0.105 0.000 2.849 98 H HA 0.407 4.965 4.556 0.004 0.000 0.271 98 H C -0.697 174.563 175.328 -0.113 0.000 1.461 98 H CA -0.434 55.535 56.048 -0.132 0.000 1.146 98 H CB 0.463 30.166 29.762 -0.099 0.000 1.834 98 H HN 0.188 nan 8.280 nan 0.000 0.555 99 D N -0.484 119.911 120.400 -0.009 0.000 2.392 99 D HA -0.011 4.632 4.640 0.005 0.000 0.228 99 D C -0.057 176.166 176.300 -0.129 0.000 1.003 99 D CA 0.912 54.861 54.000 -0.085 0.000 0.917 99 D CB 0.089 40.864 40.800 -0.043 0.000 0.890 99 D HN 0.473 nan 8.370 nan 0.000 0.532 100 D N -0.183 120.108 120.400 -0.181 0.000 2.599 100 D HA 0.036 4.679 4.640 0.005 0.000 0.249 100 D C 0.244 176.381 176.300 -0.272 0.000 1.313 100 D CA -0.316 53.597 54.000 -0.146 0.000 0.815 100 D CB 0.584 41.426 40.800 0.070 0.000 1.077 100 D HN 0.091 nan 8.370 nan 0.000 0.492 101 M N 1.048 120.315 119.600 -0.555 0.000 2.241 101 M HA 0.415 4.897 4.480 0.005 0.000 0.335 101 M C -1.196 175.105 176.300 0.002 0.000 1.122 101 M CA -0.270 54.813 55.300 -0.363 0.000 1.164 101 M CB 0.560 32.887 32.600 -0.455 0.000 1.459 101 M HN -0.069 nan 8.290 nan 0.000 0.461 102 F N 1.834 121.778 119.950 -0.010 0.000 2.619 102 F HA 0.738 5.267 4.527 0.004 0.000 0.308 102 F C -0.331 175.517 175.800 0.081 0.000 1.097 102 F CA 0.342 58.405 58.000 0.106 0.000 0.953 102 F CB 1.886 41.057 39.000 0.285 0.000 1.287 102 F HN 0.732 nan 8.300 nan 0.000 0.446 103 G N 1.480 110.146 108.800 -0.223 0.000 2.570 103 G HA2 0.787 4.749 3.960 0.005 0.000 0.310 103 G HA3 0.787 4.749 3.960 0.005 0.000 0.310 103 G C -2.248 172.577 174.900 -0.126 0.000 1.266 103 G CA -0.258 44.831 45.100 -0.019 0.000 0.825 103 G HN 1.351 nan 8.290 nan 0.000 0.483 104 A N -1.181 121.519 122.820 -0.200 0.000 2.594 104 A HA 0.741 5.064 4.320 0.005 0.000 0.296 104 A C -1.782 175.570 177.584 -0.387 0.000 1.061 104 A CA -0.676 51.218 52.037 -0.238 0.000 0.689 104 A CB 0.798 19.760 19.000 -0.063 0.000 1.280 104 A HN 0.895 nan 8.150 nan 0.000 0.406 105 F N 1.330 121.177 119.950 -0.171 0.000 2.421 105 F HA 0.600 5.129 4.527 0.004 0.000 0.337 105 F C 0.346 175.871 175.800 -0.459 0.000 1.105 105 F CA -0.567 57.228 58.000 -0.341 0.000 1.049 105 F CB 1.415 40.172 39.000 -0.406 0.000 1.139 105 F HN 0.369 nan 8.300 nan 0.000 0.479 106 L N 3.379 124.397 121.223 -0.341 0.000 2.334 106 L HA 0.531 4.874 4.340 0.005 0.000 0.277 106 L C -0.852 175.603 176.870 -0.691 0.000 1.075 106 L CA -0.421 54.210 54.840 -0.347 0.000 0.804 106 L CB 0.919 42.874 42.059 -0.173 0.000 1.174 106 L HN 0.536 nan 8.230 nan 0.000 0.438 107 F N -0.882 119.049 119.950 -0.032 0.000 2.629 107 F HA 0.322 4.853 4.527 0.007 0.000 0.316 107 F C 0.081 175.863 175.800 -0.030 0.000 1.081 107 F CA -1.118 56.857 58.000 -0.040 0.000 0.954 107 F CB 1.182 40.144 39.000 -0.063 0.000 1.337 107 F HN 0.353 nan 8.300 nan 0.000 0.474 108 D N 3.063 123.577 120.400 0.191 0.000 2.472 108 D HA 0.095 4.738 4.640 0.005 0.000 0.237 108 D C -2.206 174.145 176.300 0.085 0.000 1.141 108 D CA -0.670 53.389 54.000 0.100 0.000 0.875 108 D CB 0.260 41.104 40.800 0.073 0.000 1.192 108 D HN 0.051 nan 8.370 nan 0.000 0.450 109 P HA 0.101 nan 4.420 nan 0.000 0.271 109 P C 0.363 177.669 177.300 0.010 0.000 1.218 109 P CA 0.005 63.123 63.100 0.030 0.000 0.780 109 P CB 1.119 32.831 31.700 0.021 0.000 0.901 110 I N -0.558 120.008 120.570 -0.006 0.000 3.443 110 I HA 0.110 4.283 4.170 0.005 0.000 0.277 110 I C 1.117 177.225 176.117 -0.016 0.000 1.169 110 I CA 0.200 61.486 61.300 -0.022 0.000 1.419 110 I CB -0.159 37.813 38.000 -0.048 0.000 1.331 110 I HN 0.307 nan 8.210 nan 0.000 0.458 111 E N 2.780 122.974 120.200 -0.010 0.000 2.384 111 E HA -0.033 4.320 4.350 0.005 0.000 0.266 111 E C -0.025 176.575 176.600 0.001 0.000 1.012 111 E CA 0.071 56.469 56.400 -0.004 0.000 0.901 111 E CB 0.417 30.119 29.700 0.003 0.000 0.967 111 E HN 0.071 nan 8.360 nan 0.000 0.435 112 E N 2.573 122.773 120.200 0.000 0.000 2.415 112 E HA 0.159 4.512 4.350 0.005 0.000 0.263 112 E C 0.564 177.166 176.600 0.005 0.000 0.995 112 E CA 1.066 57.467 56.400 0.001 0.000 0.915 112 E CB 0.078 29.778 29.700 0.000 0.000 0.951 112 E HN 0.823 nan 8.360 nan 0.000 0.449 113 G N 2.426 111.229 108.800 0.004 0.000 2.213 113 G HA2 -0.275 3.687 3.960 0.005 0.000 0.236 113 G HA3 -0.275 3.687 3.960 0.005 0.000 0.236 113 G C 0.185 175.089 174.900 0.007 0.000 0.991 113 G CA -0.037 45.066 45.100 0.005 0.000 0.629 113 G HN 0.829 nan 8.290 nan 0.000 0.517 114 A N 0.249 123.074 122.820 0.009 0.000 2.340 114 A HA 0.626 4.949 4.320 0.005 0.000 0.268 114 A C 1.002 178.592 177.584 0.010 0.000 1.100 114 A CA 0.590 52.634 52.037 0.011 0.000 0.803 114 A CB 0.476 19.485 19.000 0.016 0.000 1.043 114 A HN 0.142 nan 8.150 nan 0.000 0.488 115 D N 0.457 120.863 120.400 0.010 0.000 2.240 115 D HA 0.142 4.784 4.640 0.005 0.000 0.206 115 D C -0.032 176.276 176.300 0.013 0.000 0.963 115 D CA 1.249 55.254 54.000 0.008 0.000 0.863 115 D CB 0.198 41.001 40.800 0.003 0.000 0.973 115 D HN 0.432 nan 8.370 nan 0.000 0.501 116 L N 0.080 121.314 121.223 0.017 0.000 2.455 116 L HA 0.457 4.800 4.340 0.005 0.000 0.264 116 L C 0.186 177.077 176.870 0.035 0.000 0.968 116 L CA -0.983 53.870 54.840 0.023 0.000 0.827 116 L CB 2.630 44.696 42.059 0.010 0.000 1.317 116 L HN -0.177 nan 8.230 nan 0.000 0.407 117 G N 2.282 111.122 108.800 0.066 0.000 2.444 117 G HA2 0.642 4.605 3.960 0.005 0.000 0.268 117 G HA3 0.642 4.605 3.960 0.005 0.000 0.268 117 G C -1.112 173.854 174.900 0.110 0.000 1.203 117 G CA -0.222 44.937 45.100 0.098 0.000 0.835 117 G HN 0.548 nan 8.290 nan 0.000 0.543 118 I N 1.276 121.874 120.570 0.047 0.000 2.644 118 I HA 0.463 4.636 4.170 0.005 0.000 0.291 118 I C -1.248 174.737 176.117 -0.220 0.000 1.180 118 I CA -0.788 60.444 61.300 -0.114 0.000 1.040 118 I CB 2.276 40.099 38.000 -0.294 0.000 1.255 118 I HN 0.296 nan 8.210 nan 0.000 0.422 119 V N 7.596 127.440 119.914 -0.116 0.000 2.487 119 V HA 0.474 4.597 4.120 0.005 0.000 0.298 119 V C -0.500 175.506 176.094 -0.147 0.000 1.028 119 V CA -0.424 61.852 62.300 -0.040 0.000 0.860 119 V CB 1.592 33.625 31.823 0.350 0.000 0.991 119 V HN 0.469 nan 8.190 nan 0.000 0.427 120 F N 5.233 125.312 119.950 0.214 0.000 2.377 120 F HA 0.804 5.334 4.527 0.005 0.000 0.328 120 F C 0.412 176.194 175.800 -0.030 0.000 1.094 120 F CA -0.604 57.440 58.000 0.072 0.000 1.093 120 F CB 1.487 40.588 39.000 0.167 0.000 1.214 120 F HN 0.500 nan 8.300 nan 0.000 0.518 121 M N 0.763 120.217 119.600 -0.243 0.000 2.569 121 M HA 0.712 5.195 4.480 0.005 0.000 0.279 121 M C -2.252 173.583 176.300 -0.775 0.000 1.253 121 M CA -0.757 54.256 55.300 -0.477 0.000 0.867 121 M CB 2.961 35.287 32.600 -0.457 0.000 1.727 121 M HN 0.631 nan 8.290 nan 0.000 0.467 122 D N -1.102 118.983 120.400 -0.526 0.000 2.921 122 D HA 0.392 5.035 4.640 0.005 0.000 0.329 122 D C 0.444 176.605 176.300 -0.232 0.000 1.293 122 D CA 0.078 53.871 54.000 -0.344 0.000 0.964 122 D CB 0.609 41.403 40.800 -0.010 0.000 1.435 122 D HN 0.765 nan 8.370 nan 0.000 0.548 123 T N -3.834 110.623 114.554 -0.162 0.000 3.035 123 T HA 0.179 4.532 4.350 0.005 0.000 0.268 123 T C 1.573 176.219 174.700 -0.091 0.000 1.109 123 T CA 1.068 63.083 62.100 -0.141 0.000 1.119 123 T CB -0.538 68.239 68.868 -0.153 0.000 0.900 123 T HN 0.534 nan 8.240 nan 0.000 0.503 124 G N 0.038 108.793 108.800 -0.075 0.000 2.720 124 G HA2 0.602 4.565 3.960 0.005 0.000 0.204 124 G HA3 0.602 4.565 3.960 0.005 0.000 0.204 124 G C 0.647 175.530 174.900 -0.028 0.000 1.113 124 G CA 0.236 45.330 45.100 -0.010 0.000 0.805 124 G HN 0.867 nan 8.290 nan 0.000 0.536 125 G N -1.183 107.551 108.800 -0.109 0.000 2.619 125 G HA2 0.431 4.394 3.960 0.005 0.000 0.146 125 G HA3 0.431 4.394 3.960 0.005 0.000 0.146 125 G C -1.921 172.760 174.900 -0.365 0.000 1.192 125 G CA -0.658 44.355 45.100 -0.145 0.000 1.063 125 G HN 0.072 nan 8.290 nan 0.000 0.538 126 Y N 0.496 120.856 120.300 0.100 0.000 2.322 126 Y HA 0.598 5.151 4.550 0.004 0.000 0.324 126 Y C 0.139 176.138 175.900 0.165 0.000 1.027 126 Y CA -0.619 57.555 58.100 0.123 0.000 1.179 126 Y CB 1.721 40.257 38.460 0.127 0.000 1.136 126 Y HN 0.317 nan 8.280 nan 0.000 0.449 127 L N 3.358 124.765 121.223 0.307 0.000 2.371 127 L HA 0.249 4.592 4.340 0.005 0.000 0.272 127 L C 1.139 178.204 176.870 0.325 0.000 1.124 127 L CA -0.243 54.749 54.840 0.253 0.000 0.816 127 L CB 0.786 42.949 42.059 0.173 0.000 1.129 127 L HN 0.732 nan 8.230 nan 0.000 0.448 128 N N 1.743 120.593 118.700 0.250 0.000 2.309 128 N HA -0.023 4.720 4.740 0.005 0.000 0.182 128 N C 0.127 175.821 175.510 0.308 0.000 1.018 128 N CA 1.094 54.321 53.050 0.295 0.000 0.876 128 N CB 0.289 38.928 38.487 0.253 0.000 0.972 128 N HN 0.439 nan 8.380 nan 0.000 0.434 129 M N -0.700 118.971 119.600 0.119 0.000 2.569 129 M HA 0.246 4.729 4.480 0.005 0.000 0.279 129 M C -1.689 174.328 176.300 -0.472 0.000 1.253 129 M CA -0.614 54.646 55.300 -0.067 0.000 0.867 129 M CB 2.391 34.953 32.600 -0.062 0.000 1.727 129 M HN -0.120 nan 8.290 nan 0.000 0.467 130 C N 1.070 119.810 119.300 -0.934 0.000 2.705 130 C HA 0.634 5.097 4.460 0.005 0.000 0.369 130 C C 1.252 175.853 174.990 -0.649 0.000 1.069 130 C CA 0.041 58.533 59.018 -0.877 0.000 1.260 130 C CB 0.588 27.588 27.740 -1.233 0.000 1.764 130 C HN 1.080 nan 8.230 nan 0.000 0.469 131 G N 3.428 112.003 108.800 -0.376 0.000 2.414 131 G HA2 -0.141 3.822 3.960 0.005 0.000 0.215 131 G HA3 -0.141 3.822 3.960 0.005 0.000 0.215 131 G C 1.521 176.276 174.900 -0.240 0.000 1.188 131 G CA 1.440 46.390 45.100 -0.250 0.000 0.783 131 G HN 1.018 nan 8.290 nan 0.000 0.537 132 H N 0.135 119.104 119.070 -0.168 0.000 2.387 132 H HA -0.008 4.550 4.556 0.004 0.000 0.299 132 H C 2.086 177.363 175.328 -0.086 0.000 1.090 132 H CA 1.407 57.423 56.048 -0.055 0.000 1.332 132 H CB -0.425 29.357 29.762 0.033 0.000 1.386 132 H HN 0.286 nan 8.280 nan 0.000 0.516 133 N N 0.865 118.973 118.700 -0.986 0.000 2.354 133 N HA -0.078 4.665 4.740 0.005 0.000 0.179 133 N C 1.832 177.321 175.510 -0.036 0.000 1.021 133 N CA 0.994 53.785 53.050 -0.431 0.000 0.887 133 N CB 0.003 38.347 38.487 -0.239 0.000 0.974 133 N HN 0.332 nan 8.380 nan 0.000 0.437 134 S N 0.873 116.529 115.700 -0.073 0.000 2.368 134 S HA -0.013 4.460 4.470 0.005 0.000 0.225 134 S C 2.086 176.664 174.600 -0.036 0.000 1.030 134 S CA 0.671 58.888 58.200 0.028 0.000 0.999 134 S CB -0.100 63.100 63.200 -0.000 0.000 0.844 134 S HN 0.328 nan 8.310 nan 0.000 0.459 135 I N 1.725 122.237 120.570 -0.098 0.000 2.208 135 I HA -0.246 3.927 4.170 0.005 0.000 0.245 135 I C 2.684 178.764 176.117 -0.063 0.000 1.097 135 I CA 1.161 62.398 61.300 -0.104 0.000 1.363 135 I CB -0.464 37.442 38.000 -0.156 0.000 1.051 135 I HN 0.277 nan 8.210 nan 0.000 0.413 136 A N 0.610 123.414 122.820 -0.028 0.000 1.902 136 A HA -0.144 4.179 4.320 0.005 0.000 0.217 136 A C 2.539 180.125 177.584 0.002 0.000 1.181 136 A CA 1.788 53.823 52.037 -0.002 0.000 0.623 136 A CB -0.816 18.215 19.000 0.051 0.000 0.818 136 A HN 0.429 nan 8.150 nan 0.000 0.443 137 A N -0.504 122.329 122.820 0.022 0.000 1.902 137 A HA 0.006 4.329 4.320 0.005 0.000 0.217 137 A C 2.231 179.816 177.584 0.001 0.000 1.181 137 A CA 1.756 53.809 52.037 0.026 0.000 0.623 137 A CB -0.988 18.043 19.000 0.051 0.000 0.818 137 A HN 0.380 nan 8.150 nan 0.000 0.443 138 V N -0.116 119.787 119.914 -0.018 0.000 2.255 138 V HA -0.278 3.845 4.120 0.005 0.000 0.247 138 V C 2.771 178.834 176.094 -0.051 0.000 1.051 138 V CA 2.616 64.889 62.300 -0.044 0.000 1.018 138 V CB -1.409 30.370 31.823 -0.074 0.000 0.641 138 V HN 0.622 nan 8.190 nan 0.000 0.445 139 T N 0.490 115.008 114.554 -0.060 0.000 2.652 139 T HA -0.224 4.129 4.350 0.005 0.000 0.267 139 T C 2.036 176.717 174.700 -0.032 0.000 1.039 139 T CA 1.894 63.955 62.100 -0.066 0.000 1.153 139 T CB -0.554 68.257 68.868 -0.096 0.000 0.863 139 T HN 0.587 nan 8.240 nan 0.000 0.428 140 A N 1.294 124.107 122.820 -0.010 0.000 1.972 140 A HA 0.175 4.498 4.320 0.005 0.000 0.219 140 A C 2.628 180.232 177.584 0.033 0.000 1.169 140 A CA 1.811 53.863 52.037 0.025 0.000 0.635 140 A CB -1.045 17.978 19.000 0.039 0.000 0.810 140 A HN 0.519 nan 8.150 nan 0.000 0.446 141 A N -0.547 122.281 122.820 0.013 0.000 1.877 141 A HA -0.015 4.308 4.320 0.005 0.000 0.216 141 A C 2.238 179.826 177.584 0.007 0.000 1.186 141 A CA 1.922 53.964 52.037 0.010 0.000 0.620 141 A CB -0.853 18.145 19.000 -0.002 0.000 0.822 141 A HN 0.385 nan 8.150 nan 0.000 0.443 142 V N 0.102 120.013 119.914 -0.005 0.000 2.323 142 V HA -0.196 3.927 4.120 0.005 0.000 0.244 142 V C 2.365 178.465 176.094 0.010 0.000 1.041 142 V CA 1.971 64.267 62.300 -0.006 0.000 1.025 142 V CB -0.851 30.958 31.823 -0.024 0.000 0.656 142 V HN 0.598 nan 8.190 nan 0.000 0.451 143 E N 0.619 120.829 120.200 0.018 0.000 2.153 143 E HA -0.183 4.170 4.350 0.005 0.000 0.194 143 E C 2.035 178.677 176.600 0.069 0.000 0.988 143 E CA 1.847 58.273 56.400 0.042 0.000 0.811 143 E CB -0.212 29.517 29.700 0.049 0.000 0.746 143 E HN 0.775 nan 8.360 nan 0.000 0.466 144 T N -3.195 111.404 114.554 0.075 0.000 3.105 144 T HA 0.336 4.688 4.350 0.005 0.000 0.253 144 T C 1.256 175.975 174.700 0.033 0.000 1.047 144 T CA 0.284 62.429 62.100 0.074 0.000 0.944 144 T CB 0.719 69.659 68.868 0.120 0.000 1.016 144 T HN 0.215 nan 8.240 nan 0.000 0.544 145 G N 1.475 110.289 108.800 0.024 0.000 2.176 145 G HA2 -0.244 3.719 3.960 0.005 0.000 0.252 145 G HA3 -0.244 3.719 3.960 0.005 0.000 0.252 145 G C 0.627 175.532 174.900 0.009 0.000 1.024 145 G CA 0.354 45.460 45.100 0.011 0.000 0.755 145 G HN 0.587 nan 8.290 nan 0.000 0.507 146 I N -0.533 120.045 120.570 0.013 0.000 2.286 146 I HA 0.013 4.185 4.170 0.005 0.000 0.245 146 I C 1.669 177.789 176.117 0.005 0.000 1.104 146 I CA 1.758 63.064 61.300 0.010 0.000 1.397 146 I CB -0.097 37.911 38.000 0.013 0.000 1.072 146 I HN 0.385 nan 8.210 nan 0.000 0.417 147 V N -2.422 117.493 119.914 0.002 0.000 2.715 147 V HA 0.506 4.629 4.120 0.005 0.000 0.310 147 V C -0.037 176.055 176.094 -0.002 0.000 1.054 147 V CA -0.709 61.590 62.300 -0.001 0.000 0.928 147 V CB 1.695 33.514 31.823 -0.006 0.000 1.007 147 V HN -0.020 nan 8.190 nan 0.000 0.437 148 S N 2.446 118.145 115.700 -0.002 0.000 2.601 148 S HA 0.596 5.069 4.470 0.005 0.000 0.271 148 S C -0.157 174.441 174.600 -0.004 0.000 1.305 148 S CA -0.476 57.723 58.200 -0.002 0.000 1.022 148 S CB 1.444 64.643 63.200 -0.001 0.000 0.940 148 S HN 0.820 nan 8.310 nan 0.000 0.525 149 V N 4.656 124.569 119.914 -0.003 0.000 2.364 149 V HA 0.282 4.405 4.120 0.005 0.000 0.272 149 V C -1.823 174.270 176.094 -0.001 0.000 1.036 149 V CA -1.574 60.724 62.300 -0.003 0.000 0.880 149 V CB 0.327 32.148 31.823 -0.002 0.000 0.991 149 V HN 0.713 nan 8.190 nan 0.000 0.460 150 P HA 0.223 nan 4.420 nan 0.000 0.272 150 P C -0.257 177.045 177.300 0.002 0.000 1.248 150 P CA -0.329 62.771 63.100 0.000 0.000 0.799 150 P CB 0.403 32.103 31.700 0.000 0.000 0.997 151 A N 0.324 123.145 122.820 0.003 0.000 2.444 151 A HA 0.437 4.760 4.320 0.005 0.000 0.273 151 A C 1.048 178.635 177.584 0.004 0.000 1.136 151 A CA 0.372 52.411 52.037 0.003 0.000 0.799 151 A CB -1.465 17.537 19.000 0.003 0.000 1.081 151 A HN 0.733 nan 8.150 nan 0.000 0.509 152 K N 0.113 120.517 120.400 0.005 0.000 3.088 152 K HA 0.037 4.360 4.320 0.005 0.000 0.273 152 K C 0.552 177.157 176.600 0.008 0.000 1.111 152 K CA 1.853 58.144 56.287 0.006 0.000 0.803 152 K CB -2.762 29.741 32.500 0.006 0.000 1.226 152 K HN 2.576 nan 8.250 nan 0.000 0.485 153 A N 0.410 123.234 122.820 0.007 0.000 2.462 153 A HA 0.588 4.911 4.320 0.005 0.000 0.243 153 A C 1.651 179.243 177.584 0.013 0.000 1.076 153 A CA 0.797 52.840 52.037 0.009 0.000 0.773 153 A CB 0.244 19.247 19.000 0.005 0.000 1.010 153 A HN 1.482 nan 8.150 nan 0.000 0.493 154 T N -0.859 113.707 114.554 0.020 0.000 3.022 154 T HA 0.217 4.570 4.350 0.005 0.000 0.250 154 T C 0.246 174.975 174.700 0.048 0.000 1.060 154 T CA 0.372 62.490 62.100 0.031 0.000 1.013 154 T CB -0.363 68.524 68.868 0.031 0.000 0.982 154 T HN 0.629 nan 8.240 nan 0.000 0.508 155 N N 0.180 118.903 118.700 0.037 0.000 2.336 155 N HA 0.597 5.340 4.740 0.005 0.000 0.290 155 N C -1.986 173.516 175.510 -0.013 0.000 1.058 155 N CA -0.762 52.306 53.050 0.030 0.000 0.865 155 N CB 2.938 41.471 38.487 0.077 0.000 1.581 155 N HN -0.039 nan 8.380 nan 0.000 0.480 156 V N 2.361 122.243 119.914 -0.054 0.000 2.443 156 V HA 0.530 4.653 4.120 0.005 0.000 0.293 156 V C -2.263 173.788 176.094 -0.072 0.000 1.021 156 V CA -1.719 60.551 62.300 -0.050 0.000 0.848 156 V CB 1.587 33.385 31.823 -0.042 0.000 0.998 156 V HN 0.576 nan 8.190 nan 0.000 0.424 157 P HA 0.293 nan 4.420 nan 0.000 0.276 157 P C -0.881 176.394 177.300 -0.041 0.000 1.230 157 P CA -0.079 62.993 63.100 -0.048 0.000 0.776 157 P CB 1.319 33.003 31.700 -0.027 0.000 0.888 158 V N 4.206 124.093 119.914 -0.044 0.000 2.488 158 V HA 0.194 4.317 4.120 0.005 0.000 0.293 158 V C -0.033 176.049 176.094 -0.019 0.000 1.027 158 V CA -0.690 61.592 62.300 -0.029 0.000 0.862 158 V CB 2.172 33.974 31.823 -0.035 0.000 1.008 158 V HN 0.233 nan 8.190 nan 0.000 0.428 159 V N 6.361 126.271 119.914 -0.007 0.000 2.394 159 V HA 0.527 4.650 4.120 0.005 0.000 0.282 159 V C -0.137 175.965 176.094 0.015 0.000 1.031 159 V CA -0.511 61.791 62.300 0.003 0.000 0.881 159 V CB 1.657 33.483 31.823 0.005 0.000 0.982 159 V HN 0.639 nan 8.190 nan 0.000 0.451 160 L N 3.654 124.894 121.223 0.027 0.000 2.307 160 L HA 0.557 4.899 4.340 0.005 0.000 0.284 160 L C -0.416 176.483 176.870 0.047 0.000 1.023 160 L CA -0.532 54.332 54.840 0.041 0.000 0.810 160 L CB 1.760 43.860 42.059 0.069 0.000 1.231 160 L HN 0.561 nan 8.230 nan 0.000 0.423 161 D N 2.426 122.849 120.400 0.038 0.000 2.396 161 D HA 0.282 4.925 4.640 0.005 0.000 0.225 161 D C -0.235 176.088 176.300 0.039 0.000 1.121 161 D CA -0.133 53.889 54.000 0.036 0.000 0.853 161 D CB 1.082 41.895 40.800 0.021 0.000 1.043 161 D HN 0.593 nan 8.370 nan 0.000 0.500 162 T N 0.880 115.477 114.554 0.071 0.000 2.942 162 T HA 0.537 4.890 4.350 0.005 0.000 0.289 162 T C -1.984 172.782 174.700 0.109 0.000 1.044 162 T CA -1.959 60.206 62.100 0.108 0.000 1.023 162 T CB 1.867 70.889 68.868 0.257 0.000 1.123 162 T HN -0.049 nan 8.240 nan 0.000 0.512 163 P HA 0.123 nan 4.420 nan 0.000 0.225 163 P C 1.017 178.471 177.300 0.256 0.000 1.148 163 P CA 0.717 63.905 63.100 0.146 0.000 0.779 163 P CB -0.114 31.693 31.700 0.179 0.000 0.780 164 A N -1.403 121.557 122.820 0.234 0.000 2.275 164 A HA 0.550 4.873 4.320 0.005 0.000 0.212 164 A C 1.099 178.772 177.584 0.148 0.000 1.201 164 A CA 0.762 52.921 52.037 0.204 0.000 0.843 164 A CB -0.536 18.595 19.000 0.218 0.000 0.873 164 A HN 0.309 nan 8.150 nan 0.000 0.492 165 G N -1.524 107.351 108.800 0.125 0.000 2.384 165 G HA2 0.192 4.155 3.960 0.005 0.000 0.668 165 G HA3 0.192 4.155 3.960 0.005 0.000 0.668 165 G C -0.967 173.985 174.900 0.087 0.000 1.280 165 G CA -0.428 44.729 45.100 0.094 0.000 0.992 165 G HN 0.816 nan 8.290 nan 0.000 0.512 166 L N 0.240 121.503 121.223 0.067 0.000 2.313 166 L HA 0.658 5.000 4.340 0.005 0.000 0.282 166 L C 0.257 177.158 176.870 0.052 0.000 1.092 166 L CA -0.305 54.567 54.840 0.053 0.000 0.831 166 L CB 1.269 43.351 42.059 0.038 0.000 1.159 166 L HN 0.615 nan 8.230 nan 0.000 0.442 167 V N 6.473 126.418 119.914 0.051 0.000 2.350 167 V HA 0.462 4.585 4.120 0.005 0.000 0.285 167 V C 0.082 176.187 176.094 0.019 0.000 1.014 167 V CA -0.682 61.641 62.300 0.038 0.000 0.831 167 V CB 1.333 33.190 31.823 0.057 0.000 1.000 167 V HN 0.626 nan 8.190 nan 0.000 0.433 168 R N 3.480 123.983 120.500 0.006 0.000 2.196 168 R HA 0.581 4.924 4.340 0.005 0.000 0.340 168 R C 0.468 176.754 176.300 -0.023 0.000 1.043 168 R CA -0.166 55.930 56.100 -0.006 0.000 0.883 168 R CB 1.486 31.784 30.300 -0.003 0.000 1.078 168 R HN 0.840 nan 8.270 nan 0.000 0.462 169 G N 0.858 109.637 108.800 -0.035 0.000 2.471 169 G HA2 0.489 4.452 3.960 0.005 0.000 0.332 169 G HA3 0.489 4.452 3.960 0.005 0.000 0.332 169 G C -0.802 174.040 174.900 -0.097 0.000 1.176 169 G CA -0.336 44.724 45.100 -0.066 0.000 0.949 169 G HN 0.357 nan 8.290 nan 0.000 0.488 170 T N 0.216 114.666 114.554 -0.173 0.000 2.949 170 T HA 0.578 4.931 4.350 0.005 0.000 0.300 170 T C 0.011 174.428 174.700 -0.470 0.000 0.988 170 T CA -0.159 61.773 62.100 -0.281 0.000 0.993 170 T CB 1.478 70.174 68.868 -0.287 0.000 0.984 170 T HN 0.896 nan 8.240 nan 0.000 0.442 171 A N 3.406 126.030 122.820 -0.326 0.000 2.362 171 A HA 0.523 4.845 4.320 0.005 0.000 0.276 171 A C -0.126 177.257 177.584 -0.336 0.000 1.153 171 A CA -0.465 51.392 52.037 -0.300 0.000 0.813 171 A CB 0.063 18.975 19.000 -0.146 0.000 1.081 171 A HN 0.839 nan 8.150 nan 0.000 0.507 172 H N 3.115 122.160 119.070 -0.042 0.000 2.552 172 H HA 0.331 4.890 4.556 0.005 0.000 0.311 172 H C -0.289 175.019 175.328 -0.033 0.000 1.071 172 H CA -0.165 55.862 56.048 -0.034 0.000 1.307 172 H CB 0.788 30.529 29.762 -0.036 0.000 1.416 172 H HN 0.524 nan 8.280 nan 0.000 0.464 173 L N 2.332 123.601 121.223 0.078 0.000 2.375 173 L HA 0.191 4.534 4.340 0.005 0.000 0.271 173 L C 0.864 177.753 176.870 0.032 0.000 1.107 173 L CA -0.601 54.259 54.840 0.033 0.000 0.806 173 L CB 0.906 42.976 42.059 0.019 0.000 1.146 173 L HN 0.419 nan 8.230 nan 0.000 0.447 174 Q N 1.193 121.004 119.800 0.019 0.000 2.262 174 Q HA 0.033 4.375 4.340 0.005 0.000 0.272 174 Q C 1.012 177.022 176.000 0.017 0.000 1.076 174 Q CA 0.165 55.978 55.803 0.017 0.000 0.905 174 Q CB 0.915 29.663 28.738 0.016 0.000 1.182 174 Q HN 0.753 nan 8.270 nan 0.000 0.390 175 S N 2.491 118.201 115.700 0.016 0.000 2.209 175 S HA -0.321 4.152 4.470 0.005 0.000 0.488 175 S C 0.941 175.548 174.600 0.013 0.000 0.996 175 S CA 1.889 60.097 58.200 0.013 0.000 2.940 175 S CB -0.679 62.529 63.200 0.012 0.000 2.109 175 S HN 0.925 nan 8.310 nan 0.000 0.533 176 G N 1.572 110.380 108.800 0.013 0.000 4.464 176 G HA2 0.487 4.450 3.960 0.005 0.000 0.297 176 G HA3 0.487 4.450 3.960 0.005 0.000 0.297 176 G C -0.235 174.673 174.900 0.014 0.000 1.342 176 G CA 0.430 45.537 45.100 0.013 0.000 1.335 176 G HN 0.825 nan 8.290 nan 0.000 0.609 177 T N -4.935 109.627 114.554 0.014 0.000 2.900 177 T HA 0.652 5.005 4.350 0.005 0.000 0.303 177 T C 0.608 175.315 174.700 0.012 0.000 1.142 177 T CA 0.428 62.537 62.100 0.014 0.000 1.007 177 T CB 1.850 70.727 68.868 0.016 0.000 1.156 177 T HN 0.174 nan 8.240 nan 0.000 0.490 178 E N 0.859 121.065 120.200 0.011 0.000 2.086 178 E HA 0.129 4.482 4.350 0.005 0.000 0.190 178 E C 1.696 178.301 176.600 0.007 0.000 0.975 178 E CA 1.249 57.654 56.400 0.009 0.000 0.813 178 E CB -0.380 29.325 29.700 0.009 0.000 0.768 178 E HN 1.279 nan 8.360 nan 0.000 0.457 179 S N -0.841 114.865 115.700 0.010 0.000 3.082 179 S HA 0.259 4.732 4.470 0.005 0.000 0.253 179 S C -0.260 174.345 174.600 0.009 0.000 0.961 179 S CA -0.427 57.778 58.200 0.008 0.000 1.129 179 S CB 0.090 63.297 63.200 0.012 0.000 1.083 179 S HN 0.402 nan 8.310 nan 0.000 0.605 180 E N 1.567 121.773 120.200 0.010 0.000 2.200 180 E HA 0.443 4.795 4.350 0.005 0.000 0.283 180 E C -1.038 175.558 176.600 -0.006 0.000 1.015 180 E CA -0.552 55.852 56.400 0.007 0.000 0.819 180 E CB 1.875 31.585 29.700 0.017 0.000 1.081 180 E HN 0.188 nan 8.360 nan 0.000 0.397 181 V N 3.312 123.209 119.914 -0.028 0.000 2.394 181 V HA 0.001 4.124 4.120 0.005 0.000 0.282 181 V C 1.180 177.238 176.094 -0.060 0.000 1.031 181 V CA 0.014 62.286 62.300 -0.046 0.000 0.881 181 V CB 1.395 33.175 31.823 -0.072 0.000 0.982 181 V HN 0.834 nan 8.190 nan 0.000 0.451 182 S N 3.782 119.468 115.700 -0.024 0.000 2.388 182 S HA 0.066 4.539 4.470 0.005 0.000 0.223 182 S C 0.621 175.194 174.600 -0.046 0.000 1.034 182 S CA 0.645 58.830 58.200 -0.026 0.000 0.963 182 S CB -0.080 63.124 63.200 0.008 0.000 0.827 182 S HN 0.925 nan 8.310 nan 0.000 0.481 183 N N 0.508 119.209 118.700 0.001 0.000 3.308 183 N HA 0.652 5.394 4.740 0.005 0.000 0.276 183 N C -1.662 173.868 175.510 0.033 0.000 1.533 183 N CA -0.374 52.673 53.050 -0.004 0.000 0.878 183 N CB 0.847 39.349 38.487 0.025 0.000 1.566 183 N HN 0.428 nan 8.380 nan 0.000 0.546 184 A N -0.845 121.973 122.820 -0.004 0.000 2.515 184 A HA 0.812 5.135 4.320 0.005 0.000 0.298 184 A C -1.181 176.366 177.584 -0.062 0.000 1.059 184 A CA -0.481 51.489 52.037 -0.112 0.000 0.698 184 A CB 1.463 20.376 19.000 -0.145 0.000 1.289 184 A HN 0.939 nan 8.150 nan 0.000 0.404 185 S N 0.567 116.204 115.700 -0.105 0.000 2.536 185 S HA 0.820 5.293 4.470 0.005 0.000 0.298 185 S C -0.684 173.865 174.600 -0.085 0.000 1.083 185 S CA -0.565 57.621 58.200 -0.023 0.000 0.995 185 S CB 0.672 64.001 63.200 0.216 0.000 1.058 185 S HN 1.340 nan 8.310 nan 0.000 0.488 186 I N 1.418 121.935 120.570 -0.089 0.000 2.545 186 I HA 0.603 4.776 4.170 0.005 0.000 0.292 186 I C -1.099 174.984 176.117 -0.057 0.000 1.040 186 I CA -1.154 60.100 61.300 -0.076 0.000 1.068 186 I CB 1.715 39.660 38.000 -0.092 0.000 1.251 186 I HN 0.510 nan 8.210 nan 0.000 0.424 187 I N 4.991 125.540 120.570 -0.036 0.000 2.301 187 I HA 0.226 4.399 4.170 0.005 0.000 0.292 187 I C 0.346 176.449 176.117 -0.023 0.000 1.046 187 I CA -0.137 61.147 61.300 -0.027 0.000 1.282 187 I CB 0.457 38.449 38.000 -0.013 0.000 1.409 187 I HN 0.637 nan 8.210 nan 0.000 0.484 188 N N 5.146 123.825 118.700 -0.036 0.000 2.399 188 N HA 0.126 4.869 4.740 0.005 0.000 0.250 188 N C -0.142 175.372 175.510 0.007 0.000 1.272 188 N CA -0.400 52.630 53.050 -0.033 0.000 0.928 188 N CB 1.136 39.580 38.487 -0.071 0.000 1.158 188 N HN 0.373 nan 8.380 nan 0.000 0.463 189 V N 0.002 119.938 119.914 0.036 0.000 3.178 189 V HA 0.280 4.403 4.120 0.005 0.000 0.306 189 V C -2.117 174.055 176.094 0.130 0.000 1.107 189 V CA -1.275 61.087 62.300 0.103 0.000 1.195 189 V CB -0.529 31.393 31.823 0.166 0.000 0.993 189 V HN 0.626 nan 8.190 nan 0.000 0.493 190 P HA 0.192 nan 4.420 nan 0.000 0.264 190 P C -0.461 177.030 177.300 0.320 0.000 1.183 190 P CA 0.590 63.824 63.100 0.223 0.000 0.763 190 P CB 0.419 32.271 31.700 0.253 0.000 0.807 191 S N 2.374 118.181 115.700 0.179 0.000 2.681 191 S HA 0.880 5.353 4.470 0.005 0.000 0.299 191 S C -0.538 174.185 174.600 0.204 0.000 1.113 191 S CA -0.369 57.863 58.200 0.053 0.000 1.013 191 S CB 0.583 63.722 63.200 -0.101 0.000 1.076 191 S HN 0.441 nan 8.310 nan 0.000 0.534 192 F N -0.736 119.299 119.950 0.142 0.000 2.690 192 F HA 0.534 5.064 4.527 0.005 0.000 0.311 192 F C -1.338 174.562 175.800 0.166 0.000 1.111 192 F CA -1.409 56.664 58.000 0.122 0.000 1.003 192 F CB 0.223 39.286 39.000 0.105 0.000 1.283 192 F HN 0.363 nan 8.300 nan 0.000 0.442 193 L N 3.354 124.763 121.223 0.310 0.000 2.499 193 L HA 0.150 4.493 4.340 0.005 0.000 0.273 193 L C -0.023 177.127 176.870 0.467 0.000 1.195 193 L CA 0.505 55.522 54.840 0.294 0.000 0.882 193 L CB 0.389 42.557 42.059 0.182 0.000 1.133 193 L HN 0.846 nan 8.230 nan 0.000 0.483 194 Y N 3.161 123.665 120.300 0.339 0.000 2.506 194 Y HA 0.294 4.847 4.550 0.005 0.000 0.287 194 Y C 0.657 176.675 175.900 0.197 0.000 1.147 194 Y CA 0.425 58.747 58.100 0.369 0.000 1.241 194 Y CB 0.462 39.232 38.460 0.516 0.000 1.279 194 Y HN 0.688 nan 8.280 nan 0.000 0.527 195 Q N 1.047 121.020 119.800 0.288 0.000 2.320 195 Q HA 0.253 4.595 4.340 0.005 0.000 0.272 195 Q C -1.809 174.277 176.000 0.144 0.000 1.023 195 Q CA -0.681 55.204 55.803 0.137 0.000 0.855 195 Q CB 2.223 31.068 28.738 0.178 0.000 1.367 195 Q HN 0.324 nan 8.270 nan 0.000 0.406 196 Q N 1.921 121.772 119.800 0.085 0.000 2.306 196 Q HA 0.256 4.599 4.340 0.005 0.000 0.265 196 Q C -1.019 175.020 176.000 0.064 0.000 1.022 196 Q CA -0.312 55.536 55.803 0.075 0.000 0.853 196 Q CB 1.101 29.870 28.738 0.052 0.000 1.327 196 Q HN 0.740 nan 8.270 nan 0.000 0.449 197 D N 1.227 121.667 120.400 0.066 0.000 2.697 197 D HA -0.145 4.497 4.640 0.005 0.000 0.235 197 D C -0.948 175.385 176.300 0.056 0.000 1.167 197 D CA 0.554 54.589 54.000 0.057 0.000 0.656 197 D CB -1.169 39.658 40.800 0.044 0.000 1.025 197 D HN 0.198 nan 8.370 nan 0.000 0.419 198 V N 0.869 120.824 119.914 0.067 0.000 2.455 198 V HA 0.202 4.325 4.120 0.005 0.000 0.273 198 V C 0.985 177.112 176.094 0.056 0.000 1.045 198 V CA -0.670 61.668 62.300 0.063 0.000 0.976 198 V CB 1.592 33.462 31.823 0.077 0.000 0.993 198 V HN 0.207 nan 8.190 nan 0.000 0.475 199 V N 6.571 126.513 119.914 0.047 0.000 2.407 199 V HA 0.835 4.958 4.120 0.005 0.000 0.278 199 V C -0.226 175.894 176.094 0.043 0.000 1.037 199 V CA -0.296 62.031 62.300 0.044 0.000 0.900 199 V CB 1.501 33.347 31.823 0.039 0.000 0.983 199 V HN 0.751 nan 8.190 nan 0.000 0.459 200 V N 3.385 123.326 119.914 0.045 0.000 2.914 200 V HA 0.792 4.915 4.120 0.005 0.000 0.314 200 V C -0.275 175.848 176.094 0.048 0.000 1.084 200 V CA -0.785 61.541 62.300 0.044 0.000 0.963 200 V CB 1.691 33.540 31.823 0.043 0.000 1.025 200 V HN 0.745 nan 8.190 nan 0.000 0.432 201 V N 4.637 124.581 119.914 0.049 0.000 2.350 201 V HA 0.462 4.585 4.120 0.005 0.000 0.276 201 V C 0.115 176.250 176.094 0.068 0.000 1.028 201 V CA -0.264 62.070 62.300 0.057 0.000 0.860 201 V CB 0.936 32.788 31.823 0.049 0.000 0.990 201 V HN 0.758 nan 8.190 nan 0.000 0.453 202 L N 6.411 127.687 121.223 0.089 0.000 2.387 202 L HA 0.552 4.895 4.340 0.005 0.000 0.266 202 L C -2.116 174.833 176.870 0.132 0.000 1.059 202 L CA -1.983 52.927 54.840 0.117 0.000 0.801 202 L CB 1.233 43.380 42.059 0.146 0.000 1.223 202 L HN 0.385 nan 8.230 nan 0.000 0.456 203 P HA 0.047 nan 4.420 nan 0.000 0.270 203 P C -0.867 176.489 177.300 0.094 0.000 1.223 203 P CA -0.372 62.793 63.100 0.108 0.000 0.785 203 P CB 0.373 32.135 31.700 0.103 0.000 0.923 204 K N 2.428 122.835 120.400 0.012 0.000 2.527 204 K HA -0.011 4.312 4.320 0.005 0.000 0.278 204 K C -1.310 175.175 176.600 -0.193 0.000 0.981 204 K CA -0.406 55.833 56.287 -0.079 0.000 1.009 204 K CB -0.094 32.367 32.500 -0.065 0.000 0.895 204 K HN 0.445 nan 8.250 nan 0.000 0.493 205 P HA 0.026 nan 4.420 nan 0.000 0.254 205 P C -0.325 176.720 177.300 -0.425 0.000 1.494 205 P CA 0.381 63.233 63.100 -0.414 0.000 0.961 205 P CB 0.248 31.677 31.700 -0.451 0.000 1.493 206 Y N 0.417 120.720 120.300 0.004 0.000 2.343 206 Y HA 0.273 4.826 4.550 0.005 0.000 0.294 206 Y C 2.109 178.014 175.900 0.009 0.000 1.122 206 Y CA 1.008 59.112 58.100 0.007 0.000 1.173 206 Y CB -0.961 37.505 38.460 0.011 0.000 1.077 206 Y HN 0.134 nan 8.280 nan 0.000 0.542 207 G N 0.836 109.722 108.800 0.143 0.000 2.564 207 G HA2 -0.367 3.595 3.960 0.005 0.000 0.273 207 G HA3 -0.367 3.595 3.960 0.005 0.000 0.273 207 G C -0.132 174.825 174.900 0.096 0.000 1.242 207 G CA 0.132 45.286 45.100 0.090 0.000 0.951 207 G HN 0.391 nan 8.290 nan 0.000 0.564 208 E N -0.872 119.369 120.200 0.068 0.000 2.313 208 E HA 0.531 4.884 4.350 0.005 0.000 0.276 208 E C -0.605 176.031 176.600 0.059 0.000 1.031 208 E CA -0.584 55.851 56.400 0.058 0.000 0.857 208 E CB 1.172 30.898 29.700 0.044 0.000 1.040 208 E HN 0.616 nan 8.360 nan 0.000 0.408 209 V N 4.697 124.643 119.914 0.054 0.000 2.925 209 V HA 0.459 4.581 4.120 0.005 0.000 0.311 209 V C -0.874 175.248 176.094 0.046 0.000 1.104 209 V CA -0.719 61.610 62.300 0.049 0.000 0.954 209 V CB 2.255 34.105 31.823 0.046 0.000 1.022 209 V HN 0.737 nan 8.190 nan 0.000 0.427 210 R N 2.689 123.216 120.500 0.046 0.000 2.562 210 R HA 0.844 5.187 4.340 0.005 0.000 0.298 210 R C -1.122 175.217 176.300 0.065 0.000 0.961 210 R CA -0.545 55.586 56.100 0.052 0.000 0.881 210 R CB 2.137 32.467 30.300 0.049 0.000 1.159 210 R HN 0.620 nan 8.270 nan 0.000 0.450 211 V N -1.618 118.342 119.914 0.076 0.000 3.159 211 V HA 0.575 4.698 4.120 0.005 0.000 0.308 211 V C -1.370 174.787 176.094 0.106 0.000 1.190 211 V CA -1.059 61.300 62.300 0.098 0.000 1.037 211 V CB 2.693 34.575 31.823 0.097 0.000 1.060 211 V HN 0.552 nan 8.190 nan 0.000 0.437 212 D N 1.637 122.110 120.400 0.122 0.000 2.198 212 D HA 0.651 5.294 4.640 0.005 0.000 0.247 212 D C -0.575 175.825 176.300 0.167 0.000 1.010 212 D CA -0.049 54.030 54.000 0.131 0.000 0.880 212 D CB 2.397 43.261 40.800 0.107 0.000 1.209 212 D HN 0.672 nan 8.370 nan 0.000 0.451 213 I N 1.217 121.914 120.570 0.212 0.000 2.339 213 I HA 0.557 4.730 4.170 0.005 0.000 0.290 213 I C -0.154 176.175 176.117 0.353 0.000 0.994 213 I CA -0.577 60.888 61.300 0.276 0.000 1.191 213 I CB 1.501 39.667 38.000 0.276 0.000 1.343 213 I HN 0.267 nan 8.210 nan 0.000 0.458 214 A N 6.099 129.120 122.820 0.335 0.000 2.475 214 A HA 0.693 5.016 4.320 0.005 0.000 0.301 214 A C -1.487 176.207 177.584 0.184 0.000 1.059 214 A CA -0.437 51.752 52.037 0.253 0.000 0.710 214 A CB 1.455 20.516 19.000 0.102 0.000 1.288 214 A HN 0.558 nan 8.150 nan 0.000 0.408 215 F N 1.991 121.721 119.950 -0.366 0.000 2.410 215 F HA 0.601 5.131 4.527 0.005 0.000 0.349 215 F C 0.864 176.368 175.800 -0.494 0.000 1.117 215 F CA 0.077 57.642 58.000 -0.725 0.000 1.104 215 F CB 1.761 39.760 39.000 -1.668 0.000 1.122 215 F HN 0.553 nan 8.300 nan 0.000 0.483 216 G N 2.310 110.569 108.800 -0.902 0.000 4.238 216 G HA2 0.433 4.396 3.960 0.005 0.000 0.292 216 G HA3 0.433 4.396 3.960 0.005 0.000 0.292 216 G C 0.668 175.105 174.900 -0.770 0.000 1.036 216 G CA 0.075 44.777 45.100 -0.664 0.000 0.812 216 G HN 1.488 nan 8.290 nan 0.000 0.489 217 G N 0.133 107.956 108.800 -1.628 0.000 2.352 217 G HA2 -0.211 3.751 3.960 0.005 0.000 0.204 217 G HA3 -0.211 3.751 3.960 0.005 0.000 0.204 217 G C 0.019 174.479 174.900 -0.733 0.000 1.004 217 G CA -0.227 44.311 45.100 -0.936 0.000 0.648 217 G HN 0.440 nan 8.290 nan 0.000 0.491 218 N N -0.238 118.041 118.700 -0.702 0.000 2.312 218 N HA 0.629 5.371 4.740 0.005 0.000 0.296 218 N C -1.181 174.129 175.510 -0.333 0.000 1.193 218 N CA -0.528 52.315 53.050 -0.345 0.000 0.773 218 N CB 1.363 39.645 38.487 -0.342 0.000 1.435 218 N HN 0.052 nan 8.380 nan 0.000 0.484 219 F N 0.869 120.831 119.950 0.020 0.000 2.456 219 F HA 0.335 4.865 4.527 0.005 0.000 0.358 219 F C 0.200 175.914 175.800 -0.142 0.000 1.095 219 F CA -0.004 58.029 58.000 0.055 0.000 1.216 219 F CB 0.413 39.430 39.000 0.029 0.000 1.125 219 F HN 0.270 nan 8.300 nan 0.000 0.549 220 F N 1.771 121.825 119.950 0.174 0.000 2.508 220 F HA 0.632 5.161 4.527 0.004 0.000 0.325 220 F C 0.073 175.945 175.800 0.120 0.000 1.090 220 F CA -1.056 57.004 58.000 0.100 0.000 0.945 220 F CB 1.604 40.622 39.000 0.031 0.000 1.156 220 F HN 0.432 nan 8.300 nan 0.000 0.463 221 A N 4.514 127.487 122.820 0.255 0.000 2.276 221 A HA 0.689 5.012 4.320 0.005 0.000 0.300 221 A C -0.584 177.139 177.584 0.231 0.000 1.235 221 A CA -0.467 51.692 52.037 0.203 0.000 0.867 221 A CB -0.093 18.983 19.000 0.128 0.000 1.137 221 A HN 0.700 nan 8.150 nan 0.000 0.527 222 I N 3.275 123.969 120.570 0.206 0.000 2.321 222 I HA 0.440 4.613 4.170 0.005 0.000 0.291 222 I C -0.429 175.823 176.117 0.224 0.000 0.998 222 I CA -0.602 60.822 61.300 0.208 0.000 1.227 222 I CB 1.404 39.480 38.000 0.126 0.000 1.368 222 I HN 0.374 nan 8.210 nan 0.000 0.466 223 V N 8.734 128.790 119.914 0.236 0.000 2.789 223 V HA 0.556 4.679 4.120 0.005 0.000 0.311 223 V C -2.498 173.571 176.094 -0.042 0.000 1.073 223 V CA -2.223 60.154 62.300 0.130 0.000 0.921 223 V CB 3.005 34.863 31.823 0.058 0.000 1.009 223 V HN 0.458 nan 8.190 nan 0.000 0.426 224 P HA 0.252 nan 4.420 nan 0.000 0.271 224 P C 0.455 177.578 177.300 -0.295 0.000 1.220 224 P CA 0.211 62.916 63.100 -0.660 0.000 0.768 224 P CB 1.218 32.611 31.700 -0.512 0.000 0.848 225 A N 4.074 126.735 122.820 -0.265 0.000 1.958 225 A HA -0.266 4.056 4.320 0.005 0.000 0.221 225 A C 2.053 179.593 177.584 -0.074 0.000 1.178 225 A CA 1.844 53.812 52.037 -0.115 0.000 0.642 225 A CB -1.159 17.795 19.000 -0.077 0.000 0.816 225 A HN 0.635 nan 8.150 nan 0.000 0.453 226 E N 0.292 120.431 120.200 -0.101 0.000 2.118 226 E HA -0.269 4.083 4.350 0.005 0.000 0.195 226 E C 1.863 178.448 176.600 -0.024 0.000 0.992 226 E CA 1.817 58.186 56.400 -0.052 0.000 0.804 226 E CB -0.405 29.261 29.700 -0.057 0.000 0.741 226 E HN 0.792 nan 8.360 nan 0.000 0.458 227 Q N -0.238 119.540 119.800 -0.037 0.000 2.291 227 Q HA -0.005 4.338 4.340 0.005 0.000 0.205 227 Q C 2.235 178.261 176.000 0.044 0.000 0.970 227 Q CA 0.777 56.582 55.803 0.002 0.000 0.876 227 Q CB 0.110 28.845 28.738 -0.004 0.000 0.935 227 Q HN 0.353 nan 8.270 nan 0.000 0.455 228 L N -1.097 120.154 121.223 0.046 0.000 2.567 228 L HA 0.173 4.516 4.340 0.005 0.000 0.225 228 L C 1.119 178.092 176.870 0.171 0.000 1.119 228 L CA 0.259 55.179 54.840 0.133 0.000 0.871 228 L CB 0.046 42.135 42.059 0.049 0.000 1.036 228 L HN 0.278 nan 8.230 nan 0.000 0.459 229 G N 1.576 110.425 108.800 0.081 0.000 2.249 229 G HA2 -0.288 3.675 3.960 0.005 0.000 0.273 229 G HA3 -0.288 3.675 3.960 0.005 0.000 0.273 229 G C 0.010 174.945 174.900 0.059 0.000 1.036 229 G CA 0.226 45.360 45.100 0.057 0.000 0.824 229 G HN 0.348 nan 8.290 nan 0.000 0.504 230 I N 0.114 120.720 120.570 0.059 0.000 2.498 230 I HA 0.306 4.479 4.170 0.005 0.000 0.290 230 I C -0.665 175.464 176.117 0.021 0.000 1.032 230 I CA -1.145 60.185 61.300 0.050 0.000 1.073 230 I CB 1.736 39.780 38.000 0.073 0.000 1.251 230 I HN -0.129 nan 8.210 nan 0.000 0.426 231 D N 5.917 126.326 120.400 0.015 0.000 2.341 231 D HA 0.322 4.965 4.640 0.005 0.000 0.245 231 D C 0.095 176.399 176.300 0.007 0.000 1.106 231 D CA 0.011 54.016 54.000 0.008 0.000 0.905 231 D CB 1.707 42.512 40.800 0.008 0.000 1.202 231 D HN 0.302 nan 8.370 nan 0.000 0.426 232 I N 1.956 122.529 120.570 0.005 0.000 2.406 232 I HA 0.031 4.204 4.170 0.005 0.000 0.293 232 I C 0.573 176.691 176.117 0.002 0.000 1.101 232 I CA 0.407 61.709 61.300 0.004 0.000 1.334 232 I CB -0.175 37.830 38.000 0.008 0.000 1.421 232 I HN 0.254 nan 8.210 nan 0.000 0.513 233 S N 3.775 119.474 115.700 -0.002 0.000 2.588 233 S HA 0.344 4.816 4.470 0.005 0.000 0.269 233 S C 0.334 174.929 174.600 -0.009 0.000 1.157 233 S CA -0.918 57.278 58.200 -0.006 0.000 0.824 233 S CB 1.563 64.761 63.200 -0.003 0.000 1.126 233 S HN 0.133 nan 8.310 nan 0.000 0.464 234 V N 1.665 121.571 119.914 -0.014 0.000 2.343 234 V HA -0.171 3.952 4.120 0.005 0.000 0.247 234 V C 2.651 178.737 176.094 -0.014 0.000 1.051 234 V CA 2.311 64.601 62.300 -0.017 0.000 1.036 234 V CB -1.170 30.640 31.823 -0.022 0.000 0.654 234 V HN 0.887 nan 8.190 nan 0.000 0.451 235 Q N 0.343 120.136 119.800 -0.011 0.000 2.197 235 Q HA -0.181 4.162 4.340 0.005 0.000 0.207 235 Q C 1.675 177.673 176.000 -0.004 0.000 0.984 235 Q CA 1.769 57.567 55.803 -0.009 0.000 0.869 235 Q CB -0.619 28.115 28.738 -0.007 0.000 0.906 235 Q HN 0.763 nan 8.270 nan 0.000 0.426 236 N N -0.707 117.993 118.700 -0.000 0.000 2.268 236 N HA 0.050 4.793 4.740 0.005 0.000 0.204 236 N C 0.643 176.158 175.510 0.009 0.000 1.124 236 N CA -0.276 52.779 53.050 0.009 0.000 0.838 236 N CB 0.224 38.720 38.487 0.015 0.000 0.994 236 N HN 0.048 nan 8.380 nan 0.000 0.489 237 L N 0.488 121.711 121.223 -0.001 0.000 2.046 237 L HA -0.051 4.292 4.340 0.005 0.000 0.208 237 L C 1.997 178.866 176.870 -0.002 0.000 1.077 237 L CA 1.710 56.547 54.840 -0.004 0.000 0.747 237 L CB -0.683 41.368 42.059 -0.012 0.000 0.896 237 L HN 0.052 nan 8.230 nan 0.000 0.432 238 S N -0.540 115.160 115.700 -0.001 0.000 2.370 238 S HA -0.203 4.270 4.470 0.005 0.000 0.226 238 S C 2.001 176.613 174.600 0.020 0.000 1.033 238 S CA 1.458 59.659 58.200 0.002 0.000 1.011 238 S CB -0.239 62.960 63.200 -0.001 0.000 0.852 238 S HN 0.456 nan 8.310 nan 0.000 0.457 239 R N 0.581 121.103 120.500 0.037 0.000 2.092 239 R HA 0.080 4.423 4.340 0.005 0.000 0.231 239 R C 2.229 178.566 176.300 0.061 0.000 1.119 239 R CA 0.932 57.082 56.100 0.083 0.000 0.970 239 R CB -0.435 29.925 30.300 0.100 0.000 0.864 239 R HN 0.335 nan 8.270 nan 0.000 0.440 240 L N 0.712 121.950 121.223 0.025 0.000 2.046 240 L HA -0.223 4.120 4.340 0.005 0.000 0.208 240 L C 2.531 179.388 176.870 -0.021 0.000 1.077 240 L CA 1.460 56.297 54.840 -0.005 0.000 0.747 240 L CB -0.404 41.655 42.059 0.000 0.000 0.896 240 L HN 0.258 nan 8.230 nan 0.000 0.432 241 Q N -0.231 119.563 119.800 -0.011 0.000 2.050 241 Q HA -0.242 4.101 4.340 0.005 0.000 0.202 241 Q C 2.138 178.128 176.000 -0.017 0.000 0.980 241 Q CA 1.657 57.450 55.803 -0.017 0.000 0.840 241 Q CB -0.126 28.599 28.738 -0.022 0.000 0.898 241 Q HN 0.556 nan 8.270 nan 0.000 0.424 242 E N 0.559 120.757 120.200 -0.002 0.000 2.051 242 E HA -0.183 4.170 4.350 0.005 0.000 0.192 242 E C 1.996 178.564 176.600 -0.054 0.000 0.991 242 E CA 0.990 57.397 56.400 0.013 0.000 0.799 242 E CB -0.144 29.600 29.700 0.073 0.000 0.748 242 E HN 0.344 nan 8.360 nan 0.000 0.449 243 A N 1.078 123.789 122.820 -0.182 0.000 1.933 243 A HA -0.107 4.216 4.320 0.005 0.000 0.218 243 A C 2.399 179.832 177.584 -0.251 0.000 1.175 243 A CA 1.713 53.453 52.037 -0.495 0.000 0.628 243 A CB -1.097 17.435 19.000 -0.780 0.000 0.814 243 A HN 0.369 nan 8.150 nan 0.000 0.444 244 G N -0.344 108.382 108.800 -0.124 0.000 2.418 244 G HA2 -0.239 3.724 3.960 0.005 0.000 0.217 244 G HA3 -0.239 3.724 3.960 0.005 0.000 0.217 244 G C 1.460 176.350 174.900 -0.016 0.000 1.158 244 G CA 1.371 46.444 45.100 -0.046 0.000 0.771 244 G HN 0.561 nan 8.290 nan 0.000 0.545 245 E N 0.719 120.915 120.200 -0.008 0.000 2.031 245 E HA -0.075 4.278 4.350 0.005 0.000 0.193 245 E C 2.539 179.158 176.600 0.032 0.000 0.994 245 E CA 0.947 57.364 56.400 0.027 0.000 0.800 245 E CB -0.577 29.150 29.700 0.045 0.000 0.752 245 E HN 0.427 nan 8.360 nan 0.000 0.447 246 L N -0.049 121.180 121.223 0.010 0.000 2.083 246 L HA -0.134 4.208 4.340 0.005 0.000 0.209 246 L C 2.495 179.372 176.870 0.011 0.000 1.083 246 L CA 0.785 55.640 54.840 0.026 0.000 0.752 246 L CB -0.555 41.518 42.059 0.023 0.000 0.899 246 L HN 0.259 nan 8.230 nan 0.000 0.433 247 L N 0.299 121.504 121.223 -0.030 0.000 2.056 247 L HA -0.179 4.163 4.340 0.005 0.000 0.207 247 L C 2.723 179.604 176.870 0.017 0.000 1.078 247 L CA 1.653 56.486 54.840 -0.011 0.000 0.749 247 L CB -0.729 41.310 42.059 -0.033 0.000 0.901 247 L HN 0.133 nan 8.230 nan 0.000 0.433 248 R N -1.142 119.372 120.500 0.022 0.000 2.083 248 R HA -0.180 4.163 4.340 0.005 0.000 0.237 248 R C 1.995 178.314 176.300 0.032 0.000 1.137 248 R CA 2.205 58.324 56.100 0.031 0.000 0.951 248 R CB -0.506 29.817 30.300 0.039 0.000 0.851 248 R HN 0.435 nan 8.270 nan 0.000 0.434 249 T N 0.476 115.055 114.554 0.041 0.000 2.746 249 T HA -0.155 4.198 4.350 0.005 0.000 0.267 249 T C 1.546 176.270 174.700 0.040 0.000 1.039 249 T CA 1.656 63.784 62.100 0.047 0.000 1.142 249 T CB -0.235 68.675 68.868 0.070 0.000 0.866 249 T HN 0.337 nan 8.240 nan 0.000 0.444 250 E N 0.983 121.208 120.200 0.042 0.000 2.072 250 E HA -0.040 4.313 4.350 0.005 0.000 0.191 250 E C 2.090 178.709 176.600 0.031 0.000 0.985 250 E CA 0.729 57.153 56.400 0.040 0.000 0.801 250 E CB -0.523 29.204 29.700 0.045 0.000 0.750 250 E HN 0.280 nan 8.360 nan 0.000 0.452 251 I N 1.396 121.982 120.570 0.028 0.000 2.163 251 I HA -0.279 3.894 4.170 0.005 0.000 0.243 251 I C 1.766 177.887 176.117 0.007 0.000 1.085 251 I CA 1.325 62.638 61.300 0.022 0.000 1.347 251 I CB -0.993 37.022 38.000 0.025 0.000 1.044 251 I HN 0.251 nan 8.210 nan 0.000 0.408 252 N N 0.437 119.139 118.700 0.003 0.000 2.309 252 N HA -0.188 4.554 4.740 0.005 0.000 0.182 252 N C 1.930 177.439 175.510 -0.002 0.000 1.018 252 N CA 0.804 53.848 53.050 -0.009 0.000 0.876 252 N CB -0.328 38.157 38.487 -0.003 0.000 0.972 252 N HN 0.404 nan 8.380 nan 0.000 0.434 253 R N 0.534 121.040 120.500 0.010 0.000 2.075 253 R HA 0.054 4.397 4.340 0.005 0.000 0.232 253 R C 1.621 177.928 176.300 0.012 0.000 1.126 253 R CA 1.326 57.433 56.100 0.012 0.000 0.963 253 R CB 0.137 30.450 30.300 0.021 0.000 0.858 253 R HN 0.058 nan 8.270 nan 0.000 0.435 254 S N -0.665 115.045 115.700 0.016 0.000 2.470 254 S HA 0.135 4.607 4.470 0.005 0.000 0.222 254 S C 0.022 174.633 174.600 0.018 0.000 1.024 254 S CA 0.003 58.214 58.200 0.019 0.000 0.931 254 S CB 1.036 64.252 63.200 0.026 0.000 0.791 254 S HN 0.032 nan 8.310 nan 0.000 0.513 255 V N 3.369 123.290 119.914 0.013 0.000 2.407 255 V HA 0.398 4.520 4.120 0.005 0.000 0.291 255 V C -0.822 175.265 176.094 -0.011 0.000 1.018 255 V CA -0.938 61.372 62.300 0.016 0.000 0.842 255 V CB 1.687 33.529 31.823 0.031 0.000 0.996 255 V HN 0.010 nan 8.190 nan 0.000 0.426 256 K N 4.571 124.970 120.400 -0.001 0.000 2.263 256 K HA 0.423 4.746 4.320 0.005 0.000 0.282 256 K C -0.197 176.382 176.600 -0.035 0.000 1.089 256 K CA -0.176 56.096 56.287 -0.024 0.000 0.907 256 K CB 1.510 34.008 32.500 -0.002 0.000 1.148 256 K HN 0.657 nan 8.250 nan 0.000 0.470 257 V N 0.527 120.333 119.914 -0.181 0.000 2.863 257 V HA 0.610 4.733 4.120 0.005 0.000 0.307 257 V C -0.408 175.519 176.094 -0.278 0.000 1.061 257 V CA -0.679 61.380 62.300 -0.401 0.000 1.024 257 V CB 1.647 32.764 31.823 -1.177 0.000 1.049 257 V HN 0.656 nan 8.190 nan 0.000 0.471 258 Q N 1.541 121.256 119.800 -0.142 0.000 2.280 258 Q HA 0.290 4.633 4.340 0.005 0.000 0.259 258 Q C -1.023 175.149 176.000 0.286 0.000 0.964 258 Q CA -0.308 55.545 55.803 0.084 0.000 0.844 258 Q CB 1.102 29.905 28.738 0.108 0.000 1.334 258 Q HN 1.095 nan 8.270 nan 0.000 0.423 259 H N 6.387 125.612 119.070 0.258 0.000 2.929 259 H HA 0.146 4.705 4.556 0.005 0.000 0.317 259 H C -1.720 173.652 175.328 0.072 0.000 1.031 259 H CA -1.181 54.968 56.048 0.168 0.000 1.466 259 H CB 1.342 30.994 29.762 -0.184 0.000 1.482 259 H HN 0.557 nan 8.280 nan 0.000 0.561 260 P HA -0.061 nan 4.420 nan 0.000 0.230 260 P C 0.424 177.781 177.300 0.095 0.000 1.158 260 P CA 0.917 64.026 63.100 0.014 0.000 0.769 260 P CB 0.572 32.193 31.700 -0.133 0.000 0.807 261 Q N -1.144 118.840 119.800 0.306 0.000 2.316 261 Q HA 0.281 4.624 4.340 0.005 0.000 0.235 261 Q C 0.413 176.484 176.000 0.118 0.000 0.863 261 Q CA 0.355 56.278 55.803 0.201 0.000 0.939 261 Q CB 0.419 29.274 28.738 0.195 0.000 1.108 261 Q HN 0.203 nan 8.270 nan 0.000 0.522 262 L N 1.154 122.422 121.223 0.076 0.000 2.384 262 L HA 0.363 4.706 4.340 0.005 0.000 0.261 262 L C -2.026 174.806 176.870 -0.062 0.000 1.024 262 L CA -1.682 53.074 54.840 -0.140 0.000 0.899 262 L CB 1.596 43.319 42.059 -0.561 0.000 1.243 262 L HN -0.107 nan 8.230 nan 0.000 0.449 263 P HA -0.227 nan 4.420 nan 0.000 0.216 263 P C 1.369 178.706 177.300 0.062 0.000 1.150 263 P CA 1.422 64.565 63.100 0.071 0.000 0.843 263 P CB -0.070 31.683 31.700 0.087 0.000 0.787 264 H N -1.252 117.836 119.070 0.030 0.000 2.546 264 H HA 0.052 4.610 4.556 0.005 0.000 0.277 264 H C 0.498 175.870 175.328 0.073 0.000 1.004 264 H CA 0.352 56.422 56.048 0.038 0.000 1.231 264 H CB -0.845 28.927 29.762 0.017 0.000 1.382 264 H HN 0.161 nan 8.280 nan 0.000 0.580 265 I N 3.531 123.903 120.570 -0.330 0.000 2.287 265 I HA 0.101 4.274 4.170 0.005 0.000 0.290 265 I C 0.207 176.405 176.117 0.135 0.000 1.069 265 I CA -0.136 61.114 61.300 -0.083 0.000 1.237 265 I CB 0.445 38.369 38.000 -0.126 0.000 1.418 265 I HN 0.334 nan 8.210 nan 0.000 0.481 266 N N 3.510 122.275 118.700 0.109 0.000 2.390 266 N HA 0.099 4.842 4.740 0.005 0.000 0.259 266 N C -0.420 175.074 175.510 -0.028 0.000 1.395 266 N CA -0.404 52.665 53.050 0.031 0.000 0.852 266 N CB 1.028 39.532 38.487 0.029 0.000 1.371 266 N HN 0.545 nan 8.380 nan 0.000 0.491 267 T N -2.587 111.977 114.554 0.017 0.000 2.900 267 T HA 0.403 4.755 4.350 0.005 0.000 0.303 267 T C -0.516 174.194 174.700 0.016 0.000 1.142 267 T CA -0.577 61.514 62.100 -0.015 0.000 1.007 267 T CB 2.212 71.103 68.868 0.037 0.000 1.156 267 T HN -0.111 nan 8.240 nan 0.000 0.490 268 V N 2.729 122.620 119.914 -0.039 0.000 2.389 268 V HA 0.259 4.381 4.120 0.005 0.000 0.264 268 V C 0.085 176.191 176.094 0.019 0.000 1.049 268 V CA -0.135 62.175 62.300 0.016 0.000 0.932 268 V CB 0.666 32.478 31.823 -0.018 0.000 1.011 268 V HN 0.958 nan 8.190 nan 0.000 0.475 269 D N 2.159 122.557 120.400 -0.003 0.000 2.389 269 D HA 0.187 4.829 4.640 0.005 0.000 0.206 269 D C 0.144 176.401 176.300 -0.070 0.000 1.055 269 D CA 0.526 54.518 54.000 -0.013 0.000 0.856 269 D CB 0.520 41.327 40.800 0.011 0.000 0.957 269 D HN 0.563 nan 8.370 nan 0.000 0.509 270 C N 0.258 119.419 119.300 -0.232 0.000 2.783 270 C HA 0.654 5.117 4.460 0.005 0.000 0.312 270 C C -0.337 174.577 174.990 -0.127 0.000 1.182 270 C CA -0.928 57.908 59.018 -0.304 0.000 1.432 270 C CB 2.152 29.266 27.740 -1.044 0.000 1.933 270 C HN -0.138 nan 8.230 nan 0.000 0.473 271 V N 1.955 121.916 119.914 0.078 0.000 2.444 271 V HA 0.471 4.594 4.120 0.005 0.000 0.294 271 V C -0.289 175.955 176.094 0.250 0.000 1.022 271 V CA -0.274 62.127 62.300 0.169 0.000 0.850 271 V CB 1.642 33.524 31.823 0.098 0.000 0.992 271 V HN 0.907 nan 8.190 nan 0.000 0.426 272 E N 5.239 125.626 120.200 0.313 0.000 2.092 272 E HA 0.536 4.889 4.350 0.005 0.000 0.271 272 E C -1.209 175.515 176.600 0.207 0.000 0.919 272 E CA -0.531 56.023 56.400 0.256 0.000 0.760 272 E CB 1.105 30.944 29.700 0.230 0.000 1.106 272 E HN 0.665 nan 8.360 nan 0.000 0.408 273 I N 6.304 126.961 120.570 0.145 0.000 2.330 273 I HA 0.276 4.449 4.170 0.005 0.000 0.289 273 I C -0.544 175.651 176.117 0.130 0.000 1.001 273 I CA -0.887 60.473 61.300 0.100 0.000 1.193 273 I CB 0.376 38.395 38.000 0.032 0.000 1.345 273 I HN 0.508 nan 8.210 nan 0.000 0.461 274 Y N 4.649 124.971 120.300 0.036 0.000 2.598 274 Y HA 1.003 5.556 4.550 0.005 0.000 0.340 274 Y C -0.053 175.888 175.900 0.067 0.000 1.038 274 Y CA -0.855 57.285 58.100 0.066 0.000 1.100 274 Y CB 1.844 40.368 38.460 0.107 0.000 1.281 274 Y HN 0.573 nan 8.280 nan 0.000 0.488 275 G N 0.201 109.134 108.800 0.223 0.000 2.554 275 G HA2 0.513 4.476 3.960 0.005 0.000 0.306 275 G HA3 0.513 4.476 3.960 0.005 0.000 0.306 275 G C -3.461 171.658 174.900 0.365 0.000 1.320 275 G CA -1.745 43.443 45.100 0.146 0.000 0.800 275 G HN 0.463 nan 8.290 nan 0.000 0.481 276 P HA 0.241 nan 4.420 nan 0.000 0.268 276 P C -2.212 175.181 177.300 0.155 0.000 1.205 276 P CA -0.693 62.535 63.100 0.212 0.000 0.771 276 P CB 0.432 32.201 31.700 0.115 0.000 0.858 277 P HA 0.079 nan 4.420 nan 0.000 0.274 277 P C 0.093 177.409 177.300 0.026 0.000 1.237 277 P CA 0.126 63.258 63.100 0.053 0.000 0.793 277 P CB 0.770 32.459 31.700 -0.018 0.000 0.977 278 T N -1.132 113.431 114.554 0.015 0.000 3.042 278 T HA 0.019 4.371 4.350 0.005 0.000 0.245 278 T C 0.943 175.637 174.700 -0.009 0.000 1.029 278 T CA 0.481 62.583 62.100 0.002 0.000 1.120 278 T CB -0.357 68.511 68.868 0.001 0.000 0.917 278 T HN 0.443 nan 8.240 nan 0.000 0.467 279 N N 2.613 121.305 118.700 -0.014 0.000 2.430 279 N HA 0.107 4.850 4.740 0.005 0.000 0.265 279 N C -2.040 173.450 175.510 -0.034 0.000 1.100 279 N CA -1.879 51.158 53.050 -0.022 0.000 0.961 279 N CB 1.822 40.295 38.487 -0.022 0.000 1.075 279 N HN 0.023 nan 8.380 nan 0.000 0.478 280 P HA -0.022 nan 4.420 nan 0.000 0.230 280 P C 0.439 177.706 177.300 -0.056 0.000 1.158 280 P CA 0.809 63.883 63.100 -0.043 0.000 0.769 280 P CB 0.506 32.187 31.700 -0.032 0.000 0.807 281 E N -0.153 120.017 120.200 -0.051 0.000 2.347 281 E HA 0.059 4.411 4.350 0.005 0.000 0.196 281 E C 1.043 177.587 176.600 -0.094 0.000 1.008 281 E CA 0.243 56.607 56.400 -0.060 0.000 0.852 281 E CB -0.121 29.555 29.700 -0.041 0.000 0.783 281 E HN 0.218 nan 8.360 nan 0.000 0.505 282 A N 1.069 123.828 122.820 -0.102 0.000 2.293 282 A HA 0.301 4.624 4.320 0.005 0.000 0.302 282 A C 0.650 178.092 177.584 -0.238 0.000 1.119 282 A CA -0.509 51.436 52.037 -0.152 0.000 0.823 282 A CB 0.499 19.452 19.000 -0.080 0.000 1.097 282 A HN -0.046 nan 8.150 nan 0.000 0.491 283 N N -0.642 117.813 118.700 -0.410 0.000 2.207 283 N HA 0.123 4.866 4.740 0.005 0.000 0.182 283 N C -0.613 174.477 175.510 -0.699 0.000 1.020 283 N CA 1.549 54.248 53.050 -0.585 0.000 0.858 283 N CB -0.141 37.900 38.487 -0.744 0.000 0.991 283 N HN 0.704 nan 8.380 nan 0.000 0.427 284 Y N -1.177 119.078 120.300 -0.076 0.000 2.689 284 Y HA 0.430 4.983 4.550 0.005 0.000 0.333 284 Y C -0.475 175.603 175.900 0.297 0.000 1.190 284 Y CA -1.192 57.015 58.100 0.179 0.000 1.063 284 Y CB 1.347 39.999 38.460 0.320 0.000 1.294 284 Y HN -0.381 nan 8.280 nan 0.000 0.466 285 K N 1.363 122.047 120.400 0.473 0.000 2.318 285 K HA 0.623 4.945 4.320 0.005 0.000 0.249 285 K C -1.534 175.152 176.600 0.144 0.000 0.942 285 K CA -0.556 55.862 56.287 0.218 0.000 0.808 285 K CB 1.769 34.339 32.500 0.116 0.000 1.189 285 K HN 0.922 nan 8.250 nan 0.000 0.428 286 N N 0.063 118.673 118.700 -0.150 0.000 2.610 286 N HA 0.432 5.175 4.740 0.005 0.000 0.264 286 N C -2.048 173.372 175.510 -0.151 0.000 1.348 286 N CA -0.952 52.001 53.050 -0.162 0.000 0.819 286 N CB 2.265 40.517 38.487 -0.392 0.000 1.521 286 N HN 0.196 nan 8.380 nan 0.000 0.497 287 V N 1.168 121.045 119.914 -0.061 0.000 2.588 287 V HA 0.654 4.777 4.120 0.005 0.000 0.304 287 V C -1.305 174.808 176.094 0.032 0.000 1.042 287 V CA -0.559 61.721 62.300 -0.033 0.000 0.877 287 V CB 1.686 33.502 31.823 -0.013 0.000 0.996 287 V HN 0.645 nan 8.190 nan 0.000 0.425 288 V N 7.602 127.561 119.914 0.075 0.000 2.398 288 V HA 0.540 4.662 4.120 0.005 0.000 0.286 288 V C -0.293 175.965 176.094 0.273 0.000 1.026 288 V CA -0.612 61.800 62.300 0.187 0.000 0.868 288 V CB 1.630 33.583 31.823 0.215 0.000 0.982 288 V HN 0.646 nan 8.190 nan 0.000 0.443 289 I N 6.681 127.396 120.570 0.241 0.000 2.354 289 I HA 0.624 4.797 4.170 0.005 0.000 0.292 289 I C -0.203 176.084 176.117 0.284 0.000 0.989 289 I CA -0.245 61.171 61.300 0.193 0.000 1.188 289 I CB 0.886 38.930 38.000 0.074 0.000 1.342 289 I HN 0.739 nan 8.210 nan 0.000 0.457 290 F N 2.550 122.513 119.950 0.022 0.000 3.090 290 F HA 0.846 5.375 4.527 0.004 0.000 0.324 290 F C 0.501 176.325 175.800 0.040 0.000 1.189 290 F CA -0.264 57.747 58.000 0.019 0.000 0.907 290 F CB 0.716 39.726 39.000 0.017 0.000 1.445 290 F HN 0.768 nan 8.300 nan 0.000 0.500 291 G N 1.490 110.331 108.800 0.069 0.000 2.547 291 G HA2 -0.329 3.634 3.960 0.005 0.000 0.271 291 G HA3 -0.329 3.634 3.960 0.005 0.000 0.271 291 G C -0.625 174.235 174.900 -0.067 0.000 1.209 291 G CA 0.383 45.440 45.100 -0.071 0.000 0.959 291 G HN 1.277 nan 8.290 nan 0.000 0.563 292 N N 2.299 120.942 118.700 -0.096 0.000 3.124 292 N HA 0.235 4.978 4.740 0.005 0.000 0.284 292 N C 1.380 176.843 175.510 -0.079 0.000 1.209 292 N CA 0.808 53.845 53.050 -0.022 0.000 1.149 292 N CB -0.873 37.615 38.487 0.002 0.000 1.434 292 N HN 1.014 nan 8.380 nan 0.000 0.529 293 R N 0.892 121.349 120.500 -0.072 0.000 3.266 293 R HA -0.311 4.032 4.340 0.005 0.000 0.245 293 R C -0.606 175.594 176.300 -0.167 0.000 0.941 293 R CA 0.887 56.933 56.100 -0.091 0.000 0.638 293 R CB -2.273 28.012 30.300 -0.025 0.000 1.019 293 R HN 0.705 nan 8.270 nan 0.000 0.462 294 Q N 0.328 119.928 119.800 -0.333 0.000 2.318 294 Q HA 0.669 5.012 4.340 0.005 0.000 0.222 294 Q C -0.398 175.387 176.000 -0.358 0.000 1.003 294 Q CA -0.399 55.179 55.803 -0.376 0.000 0.936 294 Q CB 1.391 29.823 28.738 -0.510 0.000 1.204 294 Q HN 0.425 nan 8.270 nan 0.000 0.524 295 A N 1.216 123.933 122.820 -0.171 0.000 2.355 295 A HA 0.323 4.646 4.320 0.005 0.000 0.317 295 A C -1.245 176.413 177.584 0.122 0.000 1.094 295 A CA -0.763 51.276 52.037 0.004 0.000 0.764 295 A CB 1.567 20.567 19.000 -0.000 0.000 1.230 295 A HN 0.786 nan 8.150 nan 0.000 0.448 296 D N 0.875 121.441 120.400 0.278 0.000 2.343 296 D HA 0.298 4.941 4.640 0.005 0.000 0.255 296 D C 1.041 177.328 176.300 -0.021 0.000 1.187 296 D CA 0.043 54.132 54.000 0.147 0.000 0.875 296 D CB 0.895 41.740 40.800 0.076 0.000 1.136 296 D HN 0.415 nan 8.370 nan 0.000 0.469 297 R N 1.256 121.713 120.500 -0.071 0.000 2.193 297 R HA 0.055 4.398 4.340 0.005 0.000 0.213 297 R C 0.954 177.152 176.300 -0.169 0.000 1.055 297 R CA 0.208 56.249 56.100 -0.099 0.000 0.995 297 R CB -0.189 30.066 30.300 -0.075 0.000 0.893 297 R HN 0.455 nan 8.270 nan 0.000 0.459 298 S N 0.096 115.648 115.700 -0.246 0.000 2.632 298 S HA 0.245 4.718 4.470 0.005 0.000 0.267 298 S C -1.889 172.431 174.600 -0.465 0.000 1.276 298 S CA -1.336 56.622 58.200 -0.403 0.000 0.998 298 S CB 1.361 64.325 63.200 -0.394 0.000 0.953 298 S HN -0.170 nan 8.310 nan 0.000 0.547 299 P HA 0.127 nan 4.420 nan 0.000 0.230 299 P C 0.087 177.182 177.300 -0.342 0.000 1.158 299 P CA 0.348 63.107 63.100 -0.569 0.000 0.769 299 P CB -0.686 30.668 31.700 -0.577 0.000 0.807 300 C N -1.450 117.734 119.300 -0.194 0.000 2.038 300 C HA -0.046 4.416 4.460 0.005 0.000 0.273 300 C C 1.959 177.076 174.990 0.212 0.000 0.675 300 C CA -0.376 58.663 59.018 0.035 0.000 2.986 300 C CB -1.948 25.766 27.740 -0.044 0.000 1.731 300 C HN 0.500 nan 8.230 nan 0.000 0.354 301 G N 3.977 112.941 108.800 0.272 0.000 2.403 301 G HA2 -0.029 3.934 3.960 0.005 0.000 0.216 301 G HA3 -0.029 3.934 3.960 0.005 0.000 0.216 301 G C 1.445 176.324 174.900 -0.034 0.000 1.154 301 G CA 1.817 46.986 45.100 0.116 0.000 0.784 301 G HN 1.623 nan 8.290 nan 0.000 0.538 302 T N -1.268 113.243 114.554 -0.071 0.000 2.904 302 T HA 0.094 4.447 4.350 0.005 0.000 0.267 302 T C 2.415 176.900 174.700 -0.358 0.000 1.059 302 T CA 1.498 63.526 62.100 -0.120 0.000 1.137 302 T CB -0.362 68.503 68.868 -0.005 0.000 0.879 302 T HN 0.195 nan 8.240 nan 0.000 0.467 303 G N 1.144 109.669 108.800 -0.458 0.000 2.403 303 G HA2 -0.088 3.875 3.960 0.005 0.000 0.216 303 G HA3 -0.088 3.875 3.960 0.005 0.000 0.216 303 G C 1.670 176.340 174.900 -0.382 0.000 1.154 303 G CA 1.108 45.581 45.100 -1.044 0.000 0.784 303 G HN 0.512 nan 8.290 nan 0.000 0.538 304 T N 1.436 115.976 114.554 -0.025 0.000 2.720 304 T HA -0.126 4.227 4.350 0.005 0.000 0.268 304 T C 2.836 177.474 174.700 -0.104 0.000 1.037 304 T CA 1.616 63.817 62.100 0.168 0.000 1.144 304 T CB -0.262 68.817 68.868 0.352 0.000 0.864 304 T HN 0.267 nan 8.240 nan 0.000 0.444 305 S N 1.428 117.029 115.700 -0.165 0.000 2.356 305 S HA -0.028 4.444 4.470 0.005 0.000 0.223 305 S C 2.615 177.057 174.600 -0.263 0.000 1.032 305 S CA 0.951 59.029 58.200 -0.203 0.000 1.005 305 S CB -0.618 62.460 63.200 -0.204 0.000 0.867 305 S HN 0.599 nan 8.310 nan 0.000 0.449 306 A N 1.891 124.495 122.820 -0.360 0.000 1.883 306 A HA -0.177 4.146 4.320 0.005 0.000 0.217 306 A C 2.031 179.444 177.584 -0.285 0.000 1.186 306 A CA 2.114 53.943 52.037 -0.348 0.000 0.624 306 A CB -0.579 18.095 19.000 -0.543 0.000 0.822 306 A HN 0.370 nan 8.150 nan 0.000 0.444 307 K N -0.203 120.000 120.400 -0.329 0.000 2.057 307 K HA -0.015 4.307 4.320 0.005 0.000 0.207 307 K C 1.939 178.261 176.600 -0.463 0.000 1.049 307 K CA 1.981 58.044 56.287 -0.374 0.000 0.931 307 K CB -0.458 31.821 32.500 -0.369 0.000 0.714 307 K HN 0.511 nan 8.250 nan 0.000 0.440 308 M N -0.342 118.962 119.600 -0.494 0.000 2.132 308 M HA -0.077 4.405 4.480 0.005 0.000 0.263 308 M C 2.213 178.385 176.300 -0.214 0.000 1.065 308 M CA 1.624 56.646 55.300 -0.464 0.000 1.122 308 M CB -0.376 31.989 32.600 -0.392 0.000 1.365 308 M HN 0.271 nan 8.290 nan 0.000 0.411 309 A N 0.061 122.784 122.820 -0.162 0.000 1.933 309 A HA -0.140 4.182 4.320 0.005 0.000 0.218 309 A C 2.189 179.784 177.584 0.017 0.000 1.175 309 A CA 2.193 54.205 52.037 -0.042 0.000 0.628 309 A CB -1.074 17.904 19.000 -0.036 0.000 0.814 309 A HN 0.444 nan 8.150 nan 0.000 0.444 310 T N 0.553 115.072 114.554 -0.059 0.000 2.643 310 T HA -0.103 4.250 4.350 0.005 0.000 0.264 310 T C 1.847 176.513 174.700 -0.057 0.000 1.045 310 T CA 1.492 63.566 62.100 -0.044 0.000 1.155 310 T CB -0.462 68.350 68.868 -0.093 0.000 0.863 310 T HN 0.359 nan 8.240 nan 0.000 0.420 311 L N -0.337 120.806 121.223 -0.134 0.000 2.043 311 L HA -0.173 4.170 4.340 0.005 0.000 0.212 311 L C 2.396 179.234 176.870 -0.052 0.000 1.075 311 L CA 1.715 56.484 54.840 -0.117 0.000 0.752 311 L CB -0.597 41.342 42.059 -0.201 0.000 0.891 311 L HN 0.299 nan 8.230 nan 0.000 0.432 312 Y N 0.560 120.789 120.300 -0.118 0.000 2.114 312 Y HA -0.315 4.238 4.550 0.005 0.000 0.284 312 Y C 2.529 178.407 175.900 -0.037 0.000 1.143 312 Y CA 1.521 59.578 58.100 -0.071 0.000 1.135 312 Y CB -0.324 38.095 38.460 -0.068 0.000 0.980 312 Y HN 0.121 nan 8.280 nan 0.000 0.499 313 A N 0.124 123.000 122.820 0.094 0.000 1.986 313 A HA -0.227 4.095 4.320 0.005 0.000 0.220 313 A C 2.001 179.553 177.584 -0.054 0.000 1.171 313 A CA 2.056 54.116 52.037 0.038 0.000 0.640 313 A CB -0.548 18.506 19.000 0.089 0.000 0.811 313 A HN 0.553 nan 8.150 nan 0.000 0.451 314 K N -1.565 118.797 120.400 -0.064 0.000 2.417 314 K HA 0.278 4.601 4.320 0.005 0.000 0.196 314 K C 0.897 177.441 176.600 -0.094 0.000 1.023 314 K CA 0.407 56.657 56.287 -0.061 0.000 1.122 314 K CB 0.052 32.531 32.500 -0.035 0.000 0.850 314 K HN 0.632 nan 8.250 nan 0.000 0.521 315 G N 1.932 110.628 108.800 -0.174 0.000 2.143 315 G HA2 -0.276 3.687 3.960 0.005 0.000 0.248 315 G HA3 -0.276 3.687 3.960 0.005 0.000 0.248 315 G C 0.517 175.340 174.900 -0.128 0.000 0.991 315 G CA 0.143 45.129 45.100 -0.190 0.000 0.689 315 G HN 0.384 nan 8.290 nan 0.000 0.522 316 Q N -1.483 118.258 119.800 -0.099 0.000 2.282 316 Q HA 0.475 4.818 4.340 0.005 0.000 0.206 316 Q C 0.407 176.397 176.000 -0.016 0.000 0.878 316 Q CA 0.321 56.102 55.803 -0.037 0.000 0.944 316 Q CB 1.156 29.889 28.738 -0.009 0.000 1.100 316 Q HN 0.662 nan 8.270 nan 0.000 0.509 317 L N 1.084 122.284 121.223 -0.038 0.000 2.513 317 L HA 0.375 4.718 4.340 0.005 0.000 0.261 317 L C -1.300 175.611 176.870 0.069 0.000 0.945 317 L CA -0.566 54.291 54.840 0.029 0.000 0.848 317 L CB 1.731 43.801 42.059 0.019 0.000 1.334 317 L HN 0.021 nan 8.230 nan 0.000 0.407 318 R N 4.045 124.603 120.500 0.096 0.000 2.828 318 R HA 0.647 4.990 4.340 0.005 0.000 0.264 318 R C -0.566 175.848 176.300 0.190 0.000 1.022 318 R CA -0.912 55.274 56.100 0.143 0.000 1.021 318 R CB 1.129 31.465 30.300 0.060 0.000 1.163 318 R HN 0.639 nan 8.270 nan 0.000 0.494 319 I N 1.480 122.188 120.570 0.230 0.000 2.919 319 I HA -0.111 4.061 4.170 0.005 0.000 0.303 319 I C 1.378 177.535 176.117 0.067 0.000 1.221 319 I CA 2.247 63.615 61.300 0.114 0.000 1.444 319 I CB 0.380 38.436 38.000 0.092 0.000 1.331 319 I HN 1.111 nan 8.210 nan 0.000 0.572 320 G N 4.101 112.924 108.800 0.039 0.000 2.234 320 G HA2 -0.317 3.646 3.960 0.005 0.000 0.260 320 G HA3 -0.317 3.646 3.960 0.005 0.000 0.260 320 G C 0.323 175.244 174.900 0.036 0.000 0.987 320 G CA 0.259 45.376 45.100 0.029 0.000 0.625 320 G HN 0.716 nan 8.290 nan 0.000 0.532 321 E N 1.539 121.770 120.200 0.052 0.000 2.324 321 E HA 0.405 4.757 4.350 0.005 0.000 0.271 321 E C 0.068 176.714 176.600 0.076 0.000 1.028 321 E CA 0.043 56.479 56.400 0.059 0.000 0.890 321 E CB 0.262 30.003 29.700 0.070 0.000 1.004 321 E HN 0.174 nan 8.360 nan 0.000 0.431 322 T N 5.214 119.806 114.554 0.063 0.000 2.814 322 T HA 0.144 4.497 4.350 0.005 0.000 0.297 322 T C -0.588 174.184 174.700 0.118 0.000 0.956 322 T CA -0.054 62.091 62.100 0.075 0.000 1.123 322 T CB -0.017 68.871 68.868 0.033 0.000 0.902 322 T HN 0.302 nan 8.240 nan 0.000 0.528 323 F N 4.441 124.381 119.950 -0.017 0.000 2.444 323 F HA 0.603 5.133 4.527 0.005 0.000 0.342 323 F C -0.834 174.964 175.800 -0.003 0.000 1.121 323 F CA -0.968 57.012 58.000 -0.033 0.000 0.997 323 F CB 1.022 39.987 39.000 -0.058 0.000 1.130 323 F HN 0.252 nan 8.300 nan 0.000 0.454 324 V N 6.999 126.532 119.914 -0.634 0.000 2.448 324 V HA 0.319 4.442 4.120 0.005 0.000 0.295 324 V C -1.314 174.489 176.094 -0.486 0.000 1.025 324 V CA -0.813 61.283 62.300 -0.340 0.000 0.859 324 V CB 1.313 33.025 31.823 -0.185 0.000 0.988 324 V HN 0.587 nan 8.190 nan 0.000 0.431 325 Y N 3.329 123.472 120.300 -0.262 0.000 2.364 325 Y HA 0.514 5.067 4.550 0.005 0.000 0.340 325 Y C 0.108 175.956 175.900 -0.087 0.000 0.975 325 Y CA -1.537 56.478 58.100 -0.142 0.000 1.089 325 Y CB 1.926 40.444 38.460 0.097 0.000 1.192 325 Y HN 0.732 nan 8.280 nan 0.000 0.454 326 E N 2.397 122.667 120.200 0.116 0.000 2.204 326 E HA 0.509 4.862 4.350 0.005 0.000 0.276 326 E C -0.658 175.855 176.600 -0.146 0.000 0.974 326 E CA -0.463 55.916 56.400 -0.033 0.000 0.815 326 E CB 1.224 30.925 29.700 0.003 0.000 1.119 326 E HN 0.675 nan 8.360 nan 0.000 0.393 327 S N 3.368 118.961 115.700 -0.179 0.000 2.730 327 S HA 0.221 4.693 4.470 0.005 0.000 0.284 327 S C 1.247 175.778 174.600 -0.114 0.000 1.153 327 S CA -0.733 57.349 58.200 -0.196 0.000 0.995 327 S CB 0.874 63.931 63.200 -0.239 0.000 1.058 327 S HN 0.759 nan 8.310 nan 0.000 0.552 328 I N -0.236 120.275 120.570 -0.099 0.000 2.567 328 I HA -0.094 4.078 4.170 0.005 0.000 0.257 328 I C 1.178 177.261 176.117 -0.056 0.000 1.184 328 I CA 1.092 62.355 61.300 -0.061 0.000 1.451 328 I CB -0.104 37.866 38.000 -0.050 0.000 1.089 328 I HN 0.550 nan 8.210 nan 0.000 0.441 329 L N 0.536 121.717 121.223 -0.070 0.000 2.558 329 L HA 0.257 4.600 4.340 0.005 0.000 0.225 329 L C 1.612 178.450 176.870 -0.052 0.000 1.128 329 L CA 1.171 55.975 54.840 -0.060 0.000 0.868 329 L CB -0.360 41.659 42.059 -0.067 0.000 1.006 329 L HN 0.420 nan 8.230 nan 0.000 0.454 330 G N -1.695 107.071 108.800 -0.058 0.000 2.175 330 G HA2 -0.268 3.694 3.960 0.005 0.000 0.244 330 G HA3 -0.268 3.694 3.960 0.005 0.000 0.244 330 G C 0.574 175.444 174.900 -0.051 0.000 0.982 330 G CA 0.338 45.410 45.100 -0.045 0.000 0.641 330 G HN 0.290 nan 8.290 nan 0.000 0.527 331 S N 0.194 115.847 115.700 -0.079 0.000 2.560 331 S HA 0.548 5.021 4.470 0.005 0.000 0.284 331 S C 0.508 175.035 174.600 -0.121 0.000 1.327 331 S CA 0.142 58.285 58.200 -0.095 0.000 1.055 331 S CB 0.888 63.993 63.200 -0.158 0.000 0.868 331 S HN 0.472 nan 8.310 nan 0.000 0.506 332 L N 3.136 124.326 121.223 -0.055 0.000 2.346 332 L HA 0.627 4.970 4.340 0.005 0.000 0.274 332 L C -0.993 175.963 176.870 0.143 0.000 1.007 332 L CA -0.710 54.129 54.840 -0.001 0.000 0.818 332 L CB 1.035 43.116 42.059 0.037 0.000 1.284 332 L HN 0.454 nan 8.230 nan 0.000 0.424 333 F N 0.461 120.435 119.950 0.041 0.000 2.522 333 F HA 0.526 5.056 4.527 0.004 0.000 0.324 333 F C -0.047 175.785 175.800 0.054 0.000 1.077 333 F CA -1.296 56.735 58.000 0.052 0.000 0.944 333 F CB 2.137 41.182 39.000 0.075 0.000 1.175 333 F HN 0.352 nan 8.300 nan 0.000 0.468 334 Q N 0.659 120.592 119.800 0.222 0.000 2.293 334 Q HA 0.679 5.022 4.340 0.005 0.000 0.261 334 Q C -0.039 176.032 176.000 0.119 0.000 0.960 334 Q CA -0.527 55.352 55.803 0.127 0.000 0.882 334 Q CB 2.025 30.801 28.738 0.063 0.000 1.275 334 Q HN 0.807 nan 8.270 nan 0.000 0.445 335 G N 1.508 110.406 108.800 0.164 0.000 2.563 335 G HA2 0.814 4.776 3.960 0.005 0.000 0.302 335 G HA3 0.814 4.776 3.960 0.005 0.000 0.302 335 G C -1.129 173.836 174.900 0.109 0.000 1.301 335 G CA -0.694 44.487 45.100 0.135 0.000 0.965 335 G HN 0.380 nan 8.290 nan 0.000 0.480 336 R N 0.519 121.044 120.500 0.042 0.000 2.604 336 R HA 0.401 4.743 4.340 0.005 0.000 0.281 336 R C -1.075 175.211 176.300 -0.023 0.000 1.020 336 R CA -0.752 55.362 56.100 0.024 0.000 0.899 336 R CB 2.781 33.091 30.300 0.017 0.000 1.205 336 R HN 0.383 nan 8.270 nan 0.000 0.450 337 V N 5.364 125.253 119.914 -0.041 0.000 2.470 337 V HA 0.057 4.180 4.120 0.005 0.000 0.276 337 V C 1.404 177.451 176.094 -0.079 0.000 1.040 337 V CA 0.272 62.508 62.300 -0.108 0.000 1.008 337 V CB 0.915 32.623 31.823 -0.190 0.000 0.990 337 V HN 0.727 nan 8.190 nan 0.000 0.477 338 L N 3.989 125.162 121.223 -0.085 0.000 2.416 338 L HA 0.454 4.797 4.340 0.005 0.000 0.216 338 L C 1.039 177.873 176.870 -0.059 0.000 1.098 338 L CA 0.811 55.620 54.840 -0.052 0.000 0.840 338 L CB 0.093 42.129 42.059 -0.037 0.000 0.981 338 L HN 0.832 nan 8.230 nan 0.000 0.462 339 G N 0.181 108.918 108.800 -0.105 0.000 2.387 339 G HA2 0.387 4.350 3.960 0.005 0.000 0.294 339 G HA3 0.387 4.350 3.960 0.005 0.000 0.294 339 G C -1.865 172.941 174.900 -0.156 0.000 1.509 339 G CA -0.544 44.500 45.100 -0.093 0.000 0.806 339 G HN 0.060 nan 8.290 nan 0.000 0.546 340 E N -0.834 119.303 120.200 -0.104 0.000 2.359 340 E HA 0.819 5.172 4.350 0.005 0.000 0.266 340 E C -0.979 175.611 176.600 -0.015 0.000 0.920 340 E CA -0.956 55.389 56.400 -0.092 0.000 0.788 340 E CB 3.155 32.843 29.700 -0.019 0.000 1.279 340 E HN 0.508 nan 8.360 nan 0.000 0.438 341 E N 0.731 120.934 120.200 0.005 0.000 2.400 341 E HA 0.221 4.574 4.350 0.005 0.000 0.285 341 E C -1.343 175.265 176.600 0.013 0.000 1.005 341 E CA -0.811 55.596 56.400 0.012 0.000 0.816 341 E CB 1.493 31.197 29.700 0.006 0.000 1.220 341 E HN 0.413 nan 8.360 nan 0.000 0.426 342 R N 3.049 123.554 120.500 0.008 0.000 2.368 342 R HA 0.458 4.800 4.340 0.005 0.000 0.302 342 R C -0.416 175.873 176.300 -0.018 0.000 1.002 342 R CA -0.730 55.367 56.100 -0.005 0.000 0.929 342 R CB 0.686 30.985 30.300 -0.000 0.000 1.073 342 R HN 0.418 nan 8.270 nan 0.000 0.464 343 I N 5.173 125.720 120.570 -0.038 0.000 2.337 343 I HA 0.214 4.387 4.170 0.005 0.000 0.285 343 I C -2.029 174.062 176.117 -0.043 0.000 1.041 343 I CA -2.075 59.199 61.300 -0.043 0.000 1.199 343 I CB 1.317 39.277 38.000 -0.066 0.000 1.370 343 I HN 0.187 nan 8.210 nan 0.000 0.470 344 P HA 0.104 nan 4.420 nan 0.000 0.264 344 P C 0.942 178.223 177.300 -0.031 0.000 1.193 344 P CA 0.433 63.518 63.100 -0.026 0.000 0.763 344 P CB 0.612 32.302 31.700 -0.017 0.000 0.810 345 G N 1.523 110.303 108.800 -0.033 0.000 2.153 345 G HA2 -0.190 3.773 3.960 0.005 0.000 0.252 345 G HA3 -0.190 3.773 3.960 0.005 0.000 0.252 345 G C -0.126 174.748 174.900 -0.042 0.000 0.994 345 G CA -0.071 45.009 45.100 -0.033 0.000 0.698 345 G HN 0.532 nan 8.290 nan 0.000 0.521 346 V N 0.717 120.596 119.914 -0.058 0.000 2.443 346 V HA 0.610 4.733 4.120 0.005 0.000 0.293 346 V C 0.116 176.145 176.094 -0.108 0.000 1.021 346 V CA -0.763 61.489 62.300 -0.079 0.000 0.848 346 V CB 1.716 33.485 31.823 -0.090 0.000 0.998 346 V HN 0.313 nan 8.190 nan 0.000 0.424 347 K N 3.181 123.516 120.400 -0.109 0.000 2.385 347 K HA 0.867 5.190 4.320 0.005 0.000 0.248 347 K C -0.892 175.611 176.600 -0.161 0.000 0.955 347 K CA -0.791 55.420 56.287 -0.126 0.000 0.816 347 K CB 2.963 35.405 32.500 -0.096 0.000 1.250 347 K HN 0.537 nan 8.250 nan 0.000 0.434 348 V N -1.824 117.963 119.914 -0.211 0.000 3.158 348 V HA 0.409 4.532 4.120 0.005 0.000 0.315 348 V C -2.327 173.567 176.094 -0.335 0.000 1.148 348 V CA -2.195 59.901 62.300 -0.340 0.000 1.042 348 V CB 1.602 33.193 31.823 -0.386 0.000 1.101 348 V HN 0.479 nan 8.190 nan 0.000 0.448 349 P HA -0.126 nan 4.420 nan 0.000 0.217 349 P C 1.603 178.800 177.300 -0.171 0.000 1.148 349 P CA 1.412 64.343 63.100 -0.283 0.000 0.828 349 P CB 0.189 31.700 31.700 -0.315 0.000 0.783 350 V N -1.140 118.677 119.914 -0.162 0.000 2.970 350 V HA -0.063 4.060 4.120 0.005 0.000 0.260 350 V C 0.426 176.487 176.094 -0.055 0.000 1.100 350 V CA 1.333 63.594 62.300 -0.065 0.000 1.122 350 V CB -1.146 30.676 31.823 -0.001 0.000 0.721 350 V HN 0.119 nan 8.190 nan 0.000 0.483 351 T N 2.556 117.060 114.554 -0.083 0.000 2.853 351 T HA 0.137 4.490 4.350 0.005 0.000 0.298 351 T C 0.085 174.754 174.700 -0.051 0.000 0.978 351 T CA 0.042 62.104 62.100 -0.064 0.000 1.152 351 T CB 0.473 69.290 68.868 -0.084 0.000 0.914 351 T HN 0.384 nan 8.240 nan 0.000 0.539 352 K N 2.463 122.842 120.400 -0.035 0.000 2.258 352 K HA 0.076 4.399 4.320 0.005 0.000 0.264 352 K C 0.737 177.320 176.600 -0.029 0.000 1.007 352 K CA -0.727 55.544 56.287 -0.028 0.000 0.941 352 K CB 0.570 33.058 32.500 -0.019 0.000 0.966 352 K HN 0.485 nan 8.250 nan 0.000 0.480 353 D N 1.509 121.894 120.400 -0.025 0.000 2.133 353 D HA -0.181 4.462 4.640 0.005 0.000 0.195 353 D C 1.614 177.902 176.300 -0.020 0.000 0.997 353 D CA 1.613 55.599 54.000 -0.023 0.000 0.840 353 D CB -0.102 40.687 40.800 -0.019 0.000 0.947 353 D HN 0.656 nan 8.370 nan 0.000 0.452 354 A N 0.448 123.257 122.820 -0.017 0.000 2.066 354 A HA -0.071 4.251 4.320 0.005 0.000 0.218 354 A C 0.919 178.494 177.584 -0.015 0.000 1.157 354 A CA 0.478 52.506 52.037 -0.014 0.000 0.670 354 A CB -0.194 18.799 19.000 -0.012 0.000 0.804 354 A HN 0.164 nan 8.150 nan 0.000 0.453 355 E N 0.519 120.708 120.200 -0.018 0.000 2.316 355 E HA 0.139 4.492 4.350 0.005 0.000 0.275 355 E C 0.158 176.745 176.600 -0.022 0.000 1.029 355 E CA -0.363 56.026 56.400 -0.018 0.000 0.871 355 E CB 0.608 30.297 29.700 -0.019 0.000 1.022 355 E HN 0.280 nan 8.360 nan 0.000 0.418 356 E N 1.439 121.627 120.200 -0.019 0.000 2.358 356 E HA 0.052 4.405 4.350 0.005 0.000 0.195 356 E C 0.632 177.215 176.600 -0.028 0.000 1.010 356 E CA 0.278 56.665 56.400 -0.021 0.000 0.856 356 E CB 0.519 30.210 29.700 -0.016 0.000 0.795 356 E HN 0.580 nan 8.360 nan 0.000 0.504 357 G N 0.810 109.591 108.800 -0.032 0.000 2.646 357 G HA2 0.440 4.403 3.960 0.005 0.000 0.291 357 G HA3 0.440 4.403 3.960 0.005 0.000 0.291 357 G C -0.467 174.401 174.900 -0.053 0.000 1.445 357 G CA -0.843 44.230 45.100 -0.045 0.000 0.814 357 G HN 0.030 nan 8.290 nan 0.000 0.495 358 M N 0.199 119.749 119.600 -0.084 0.000 2.243 358 M HA 0.661 5.144 4.480 0.005 0.000 0.341 358 M C -0.494 175.767 176.300 -0.064 0.000 1.130 358 M CA -0.345 54.894 55.300 -0.102 0.000 1.162 358 M CB 1.112 33.592 32.600 -0.200 0.000 1.497 358 M HN 0.368 nan 8.290 nan 0.000 0.456 359 L N 4.674 125.885 121.223 -0.019 0.000 2.305 359 L HA 0.621 4.964 4.340 0.005 0.000 0.281 359 L C -0.706 176.203 176.870 0.064 0.000 1.085 359 L CA -0.308 54.555 54.840 0.039 0.000 0.813 359 L CB 1.314 43.430 42.059 0.095 0.000 1.157 359 L HN 0.699 nan 8.230 nan 0.000 0.436 360 V N 4.128 124.081 119.914 0.064 0.000 2.914 360 V HA 0.905 5.028 4.120 0.005 0.000 0.314 360 V C -0.595 175.525 176.094 0.043 0.000 1.084 360 V CA -0.481 61.895 62.300 0.127 0.000 0.963 360 V CB 1.663 33.567 31.823 0.134 0.000 1.025 360 V HN 0.788 nan 8.190 nan 0.000 0.432 361 V N -0.009 119.914 119.914 0.016 0.000 2.960 361 V HA 0.811 4.934 4.120 0.005 0.000 0.315 361 V C -0.091 175.964 176.094 -0.066 0.000 1.087 361 V CA -0.352 61.871 62.300 -0.128 0.000 0.982 361 V CB 1.806 33.428 31.823 -0.335 0.000 1.039 361 V HN 0.989 nan 8.190 nan 0.000 0.437 362 T N 3.166 117.663 114.554 -0.095 0.000 2.758 362 T HA 0.774 5.127 4.350 0.005 0.000 0.285 362 T C 0.036 174.684 174.700 -0.087 0.000 0.981 362 T CA 0.208 62.273 62.100 -0.059 0.000 0.965 362 T CB 1.021 69.867 68.868 -0.037 0.000 0.927 362 T HN 1.345 nan 8.240 nan 0.000 0.448 363 A N 3.290 126.064 122.820 -0.078 0.000 2.324 363 A HA 0.718 5.041 4.320 0.005 0.000 0.330 363 A C -0.230 177.318 177.584 -0.059 0.000 1.165 363 A CA -0.769 51.220 52.037 -0.080 0.000 0.813 363 A CB 0.977 19.918 19.000 -0.099 0.000 1.197 363 A HN 0.789 nan 8.150 nan 0.000 0.484 364 E N 1.606 121.778 120.200 -0.046 0.000 2.183 364 E HA 0.565 4.918 4.350 0.005 0.000 0.271 364 E C -1.287 175.287 176.600 -0.043 0.000 0.919 364 E CA -0.555 55.822 56.400 -0.039 0.000 0.781 364 E CB 0.926 30.615 29.700 -0.018 0.000 1.140 364 E HN 0.519 nan 8.360 nan 0.000 0.402 365 I N 2.813 123.336 120.570 -0.079 0.000 2.608 365 I HA 0.351 4.524 4.170 0.005 0.000 0.295 365 I C -0.399 175.614 176.117 -0.174 0.000 1.049 365 I CA -0.638 60.584 61.300 -0.129 0.000 1.063 365 I CB 1.791 39.667 38.000 -0.206 0.000 1.248 365 I HN 0.493 nan 8.210 nan 0.000 0.424 366 T N 3.663 118.108 114.554 -0.181 0.000 2.881 366 T HA 0.816 5.169 4.350 0.005 0.000 0.290 366 T C 0.053 174.622 174.700 -0.219 0.000 1.000 366 T CA -0.644 61.373 62.100 -0.138 0.000 0.978 366 T CB 2.375 71.229 68.868 -0.023 0.000 0.997 366 T HN 0.988 nan 8.240 nan 0.000 0.443 367 G N 1.461 110.134 108.800 -0.211 0.000 2.606 367 G HA2 0.685 4.648 3.960 0.005 0.000 0.300 367 G HA3 0.685 4.648 3.960 0.005 0.000 0.300 367 G C -1.981 172.905 174.900 -0.022 0.000 1.360 367 G CA -0.746 44.314 45.100 -0.067 0.000 0.783 367 G HN 0.654 nan 8.290 nan 0.000 0.484 368 K N -0.511 119.917 120.400 0.047 0.000 2.378 368 K HA 0.730 5.053 4.320 0.005 0.000 0.252 368 K C -0.724 175.801 176.600 -0.125 0.000 0.931 368 K CA -0.610 55.621 56.287 -0.092 0.000 0.794 368 K CB 2.054 34.481 32.500 -0.121 0.000 1.181 368 K HN 0.849 nan 8.250 nan 0.000 0.425 369 A N 3.279 125.935 122.820 -0.274 0.000 2.380 369 A HA 0.804 5.127 4.320 0.005 0.000 0.315 369 A C -1.580 175.694 177.584 -0.516 0.000 1.101 369 A CA -0.624 51.260 52.037 -0.255 0.000 0.771 369 A CB 0.615 19.544 19.000 -0.119 0.000 1.287 369 A HN 0.573 nan 8.150 nan 0.000 0.436 370 F N 0.455 120.229 119.950 -0.292 0.000 2.540 370 F HA 0.485 5.014 4.527 0.004 0.000 0.317 370 F C 0.197 175.894 175.800 -0.173 0.000 1.104 370 F CA -0.454 57.406 58.000 -0.232 0.000 0.913 370 F CB 1.864 40.681 39.000 -0.304 0.000 1.170 370 F HN 0.381 nan 8.300 nan 0.000 0.450 371 I N 4.882 125.480 120.570 0.047 0.000 2.517 371 I HA 0.033 4.206 4.170 0.005 0.000 0.285 371 I C 1.170 177.276 176.117 -0.018 0.000 1.106 371 I CA 0.310 61.574 61.300 -0.060 0.000 1.402 371 I CB 0.844 38.739 38.000 -0.175 0.000 1.399 371 I HN 0.784 nan 8.210 nan 0.000 0.535 372 M N 4.363 123.957 119.600 -0.010 0.000 2.367 372 M HA 0.453 4.936 4.480 0.005 0.000 0.256 372 M C 0.471 176.730 176.300 -0.069 0.000 1.091 372 M CA 0.126 55.441 55.300 0.026 0.000 1.049 372 M CB 0.804 33.495 32.600 0.151 0.000 1.406 372 M HN 0.484 nan 8.290 nan 0.000 0.498 373 G N 0.781 109.467 108.800 -0.190 0.000 2.702 373 G HA2 0.539 4.502 3.960 0.005 0.000 0.296 373 G HA3 0.539 4.502 3.960 0.005 0.000 0.296 373 G C -2.120 172.574 174.900 -0.344 0.000 1.463 373 G CA -0.631 44.361 45.100 -0.180 0.000 0.890 373 G HN 0.139 nan 8.290 nan 0.000 0.534 374 F N 1.624 121.607 119.950 0.054 0.000 2.375 374 F HA 0.524 5.054 4.527 0.005 0.000 0.361 374 F C 0.240 176.067 175.800 0.045 0.000 1.117 374 F CA -1.140 56.889 58.000 0.049 0.000 1.037 374 F CB 2.136 41.161 39.000 0.042 0.000 1.192 374 F HN 0.326 nan 8.300 nan 0.000 0.452 375 N N 1.303 120.125 118.700 0.203 0.000 2.284 375 N HA 0.418 5.161 4.740 0.005 0.000 0.300 375 N C -1.192 174.394 175.510 0.127 0.000 1.047 375 N CA -0.389 52.739 53.050 0.129 0.000 0.821 375 N CB 1.705 40.249 38.487 0.094 0.000 1.337 375 N HN 0.372 nan 8.380 nan 0.000 0.482 376 T N 3.115 117.723 114.554 0.090 0.000 2.821 376 T HA 0.314 4.667 4.350 0.005 0.000 0.307 376 T C 0.134 174.849 174.700 0.025 0.000 1.034 376 T CA -0.390 61.755 62.100 0.075 0.000 0.953 376 T CB 0.119 69.022 68.868 0.057 0.000 0.968 376 T HN 0.422 nan 8.240 nan 0.000 0.462 377 M N 5.305 124.925 119.600 0.034 0.000 2.188 377 M HA 0.537 5.019 4.480 0.005 0.000 0.357 377 M C -1.457 174.691 176.300 -0.253 0.000 1.204 377 M CA -0.533 54.714 55.300 -0.088 0.000 1.095 377 M CB 0.407 33.042 32.600 0.058 0.000 1.604 377 M HN 0.472 nan 8.290 nan 0.000 0.464 378 L N 5.124 126.069 121.223 -0.464 0.000 2.342 378 L HA 0.615 4.958 4.340 0.005 0.000 0.271 378 L C -1.507 174.916 176.870 -0.745 0.000 1.008 378 L CA -0.652 53.940 54.840 -0.413 0.000 0.818 378 L CB 1.888 43.826 42.059 -0.202 0.000 1.296 378 L HN 0.687 nan 8.230 nan 0.000 0.427 379 F N 0.516 120.403 119.950 -0.105 0.000 2.771 379 F HA 0.219 4.750 4.527 0.007 0.000 0.365 379 F C 0.007 175.782 175.800 -0.042 0.000 1.169 379 F CA -0.826 57.137 58.000 -0.062 0.000 1.093 379 F CB 1.212 40.157 39.000 -0.091 0.000 1.363 379 F HN 0.368 nan 8.300 nan 0.000 0.496 380 D N 4.711 125.164 120.400 0.089 0.000 2.348 380 D HA 0.148 4.791 4.640 0.005 0.000 0.253 380 D C -1.672 174.672 176.300 0.073 0.000 1.161 380 D CA -1.764 52.273 54.000 0.061 0.000 0.876 380 D CB 1.967 42.785 40.800 0.029 0.000 1.160 380 D HN 0.171 nan 8.370 nan 0.000 0.459 381 P HA -0.115 nan 4.420 nan 0.000 0.220 381 P C 1.022 178.328 177.300 0.010 0.000 1.144 381 P CA 1.352 64.467 63.100 0.026 0.000 0.800 381 P CB 0.083 31.790 31.700 0.011 0.000 0.772 382 T N -5.770 108.790 114.554 0.010 0.000 3.107 382 T HA 0.052 4.404 4.350 0.005 0.000 0.249 382 T C 0.559 175.252 174.700 -0.011 0.000 1.096 382 T CA -0.273 61.823 62.100 -0.006 0.000 1.012 382 T CB -0.599 68.265 68.868 -0.006 0.000 0.977 382 T HN -0.085 nan 8.240 nan 0.000 0.527 383 D N 3.430 123.838 120.400 0.013 0.000 2.339 383 D HA 0.154 4.797 4.640 0.005 0.000 0.256 383 D C -1.137 175.137 176.300 -0.042 0.000 1.214 383 D CA -2.347 51.665 54.000 0.020 0.000 0.877 383 D CB 1.785 42.634 40.800 0.082 0.000 1.111 383 D HN 0.080 nan 8.370 nan 0.000 0.478 384 P HA -0.073 nan 4.420 nan 0.000 0.230 384 P C 0.372 177.338 177.300 -0.556 0.000 1.158 384 P CA 0.583 63.436 63.100 -0.411 0.000 0.769 384 P CB 0.014 31.339 31.700 -0.625 0.000 0.807 385 F N 0.664 120.687 119.950 0.121 0.000 2.772 385 F HA 0.253 4.782 4.527 0.003 0.000 0.302 385 F C 1.969 177.894 175.800 0.208 0.000 1.136 385 F CA -0.725 57.389 58.000 0.191 0.000 1.322 385 F CB -0.329 38.824 39.000 0.256 0.000 0.967 385 F HN -0.102 nan 8.300 nan 0.000 0.513 386 K N -0.121 120.445 120.400 0.276 0.000 2.211 386 K HA -0.175 4.148 4.320 0.005 0.000 0.204 386 K C 0.390 177.236 176.600 0.410 0.000 1.047 386 K CA 2.007 58.516 56.287 0.370 0.000 0.935 386 K CB -0.461 32.203 32.500 0.273 0.000 0.728 386 K HN 0.350 nan 8.250 nan 0.000 0.452 387 N N 0.650 119.531 118.700 0.302 0.000 2.238 387 N HA 0.158 4.901 4.740 0.005 0.000 0.222 387 N C -0.289 175.392 175.510 0.286 0.000 1.133 387 N CA -0.024 53.192 53.050 0.277 0.000 0.854 387 N CB 1.238 39.855 38.487 0.217 0.000 1.041 387 N HN 0.440 nan 8.380 nan 0.000 0.510 388 G N 1.520 110.525 108.800 0.342 0.000 2.829 388 G HA2 -0.189 3.774 3.960 0.005 0.000 0.628 388 G HA3 -0.189 3.774 3.960 0.005 0.000 0.628 388 G C -0.684 174.424 174.900 0.347 0.000 1.412 388 G CA -0.347 44.906 45.100 0.255 0.000 0.864 388 G HN 0.316 nan 8.290 nan 0.000 0.544 389 F N -2.413 117.612 119.950 0.125 0.000 2.668 389 F HA 0.877 5.406 4.527 0.004 0.000 0.309 389 F C -0.402 175.406 175.800 0.014 0.000 1.117 389 F CA -0.493 57.558 58.000 0.086 0.000 0.951 389 F CB 1.657 40.689 39.000 0.053 0.000 1.323 389 F HN 0.970 nan 8.300 nan 0.000 0.451 390 T N 1.564 116.214 114.554 0.159 0.000 2.900 390 T HA 0.547 4.900 4.350 0.005 0.000 0.295 390 T C -0.643 174.150 174.700 0.155 0.000 1.044 390 T CA -0.436 61.692 62.100 0.046 0.000 0.995 390 T CB 1.449 70.281 68.868 -0.060 0.000 1.072 390 T HN 0.671 nan 8.240 nan 0.000 0.473 391 L N 2.684 123.975 121.223 0.114 0.000 2.640 391 L HA 0.446 4.789 4.340 0.005 0.000 0.230 391 L C 1.045 177.903 176.870 -0.020 0.000 1.123 391 L CA 0.477 55.359 54.840 0.071 0.000 0.900 391 L CB -0.560 41.552 42.059 0.089 0.000 1.146 391 L HN 0.587 nan 8.230 nan 0.000 0.484 392 K N 1.675 122.030 120.400 -0.074 0.000 2.350 392 K HA 0.142 4.465 4.320 0.005 0.000 0.279 392 K C 0.199 176.670 176.600 -0.215 0.000 1.027 392 K CA -0.254 55.957 56.287 -0.127 0.000 0.969 392 K CB 0.595 33.009 32.500 -0.143 0.000 0.954 392 K HN 0.256 nan 8.250 nan 0.000 0.474 393 Q N 3.090 122.798 119.800 -0.154 0.000 2.235 393 Q HA 0.157 4.500 4.340 0.005 0.000 0.250 393 Q C -1.085 174.845 176.000 -0.118 0.000 0.909 393 Q CA -0.740 54.985 55.803 -0.129 0.000 0.910 393 Q CB 0.666 29.378 28.738 -0.043 0.000 1.223 393 Q HN 0.383 nan 8.270 nan 0.000 0.432 394 Y N 1.942 122.315 120.300 0.121 0.000 2.397 394 Y HA 0.293 4.845 4.550 0.005 0.000 0.335 394 Y C 0.530 176.504 175.900 0.123 0.000 1.213 394 Y CA -0.532 57.679 58.100 0.186 0.000 1.391 394 Y CB 0.605 39.253 38.460 0.314 0.000 1.293 394 Y HN 0.603 nan 8.280 nan 0.000 0.557 395 I N -0.019 120.734 120.570 0.306 0.000 2.934 395 I HA 0.854 5.027 4.170 0.005 0.000 0.306 395 I C -1.593 174.679 176.117 0.259 0.000 1.110 395 I CA -1.131 60.181 61.300 0.020 0.000 1.019 395 I CB 2.742 40.726 38.000 -0.027 0.000 1.227 395 I HN 0.759 nan 8.210 nan 0.000 0.434 396 W N 2.041 123.385 121.300 0.074 0.000 3.275 396 W HA 0.657 5.320 4.660 0.004 0.000 0.306 396 W C -1.453 175.097 176.519 0.052 0.000 1.259 396 W CA -0.943 56.435 57.345 0.055 0.000 1.194 396 W CB 0.131 29.616 29.460 0.040 0.000 1.375 396 W HN 0.728 nan 8.180 nan 0.000 0.564 397 S N 1.471 117.336 115.700 0.275 0.000 2.549 397 S HA 0.447 4.920 4.470 0.005 0.000 0.279 397 S C 0.546 175.295 174.600 0.250 0.000 1.321 397 S CA -0.052 58.254 58.200 0.177 0.000 1.054 397 S CB 0.769 64.058 63.200 0.148 0.000 0.899 397 S HN 1.041 nan 8.310 nan 0.000 0.497 398 S N 0.000 115.787 115.700 0.145 0.000 2.498 398 S HA 0.000 4.473 4.470 0.005 0.000 0.327 398 S CA 0.000 58.299 58.200 0.165 0.000 1.107 398 S CB 0.000 63.249 63.200 0.082 0.000 0.593 398 S HN 0.000 nan 8.310 nan 0.000 0.517