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 3a3d_1_A DATA FIRST_RESID 27 DATA SEQUENCE MINVSDLTQK LPEGSNAGVI AKNINQNQII ADYNGSTFML PASTQKVFTA DATA SEQUENCE VAAKLALGDQ FQFETALLSN GKIQNGNLDG NLIVSFTGDP DLTRGQLYSL DATA SEQUENCE LAELKKQGIK KINGDLVLDT SVFSSHDRGL GWIWNDLTMc FNSPPAAANI DATA SEQUENCE DNNcFYAELD ANKNPGEIVK INVPAQFPIQ VFGQVYVADS NEAPYcQLDV DATA SEQUENCE VVHDNNRYQV KGcLARQYKP FGLSFAVQNT DAYAAAIIQR QLRKLGIEFN DATA SEQUENCE GKVLLPQKPQ QGQLLAKHLS KPLPDLLKKM MKKSDNQIAD SLFRAVAFNY DATA SEQUENCE YKRPASFQLG TLAVKSILQK QGIRFGNSIL ADGSGLSRHN LVAPKTMLSV DATA SEQUENCE LEYIAKNEDK LHLMETFPIA GVDGTISGRG GLISPPLVKN VIAKTGSLKG DATA SEQUENCE VYNLAGFMTN ARGEKVAFVQ FINGYSTGDL ESKTKRAPLV QFERNLYNEL DATA SEQUENCE YKY 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 27 M HA 0.000 nan 4.480 nan 0.000 0.227 27 M C 0.000 176.348 176.300 0.080 0.000 1.140 27 M CA 0.000 55.351 55.300 0.085 0.000 0.988 27 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 28 I N 2.380 122.890 120.570 -0.101 0.000 2.710 28 I HA -0.036 4.134 4.170 0.000 0.000 0.286 28 I C 0.829 176.924 176.117 -0.037 0.000 1.181 28 I CA 0.138 61.407 61.300 -0.052 0.000 1.430 28 I CB 0.129 38.029 38.000 -0.166 0.000 1.367 28 I HN 0.540 nan 8.210 nan 0.000 0.577 29 N N 6.332 125.017 118.700 -0.025 0.000 2.739 29 N HA 0.075 4.815 4.740 0.000 0.000 0.266 29 N C 0.647 176.091 175.510 -0.110 0.000 1.168 29 N CA -0.012 53.013 53.050 -0.042 0.000 1.055 29 N CB 0.658 39.133 38.487 -0.021 0.000 1.393 29 N HN 0.435 nan 8.380 nan 0.000 0.514 30 V N 1.483 121.296 119.914 -0.168 0.000 2.515 30 V HA -0.173 3.947 4.120 0.000 0.000 0.250 30 V C 2.350 178.162 176.094 -0.470 0.000 1.058 30 V CA 1.574 63.696 62.300 -0.297 0.000 1.064 30 V CB -0.696 30.932 31.823 -0.324 0.000 0.675 30 V HN 0.630 nan 8.190 nan 0.000 0.461 31 S N 0.304 115.704 115.700 -0.499 0.000 2.365 31 S HA -0.316 4.154 4.470 0.000 0.000 0.225 31 S C 1.898 176.411 174.600 -0.146 0.000 1.039 31 S CA 2.324 60.311 58.200 -0.355 0.000 1.033 31 S CB -0.436 62.746 63.200 -0.029 0.000 0.887 31 S HN 0.719 nan 8.310 nan 0.000 0.447 32 D N 0.482 120.827 120.400 -0.091 0.000 2.144 32 D HA -0.041 4.600 4.640 0.000 0.000 0.199 32 D C 1.981 178.267 176.300 -0.022 0.000 0.984 32 D CA 1.106 55.081 54.000 -0.042 0.000 0.834 32 D CB -0.311 40.470 40.800 -0.031 0.000 0.955 32 D HN 0.472 nan 8.370 nan 0.000 0.465 33 L N 0.116 121.317 121.223 -0.036 0.000 2.079 33 L HA -0.155 4.186 4.340 0.000 0.000 0.210 33 L C 2.553 179.564 176.870 0.235 0.000 1.081 33 L CA 1.646 56.505 54.840 0.031 0.000 0.752 33 L CB -1.208 40.786 42.059 -0.109 0.000 0.896 33 L HN 0.240 nan 8.230 nan 0.000 0.433 34 T N -3.686 110.963 114.554 0.160 0.000 3.051 34 T HA -0.137 4.213 4.350 0.000 0.000 0.269 34 T C 1.716 176.433 174.700 0.028 0.000 1.127 34 T CA 0.471 62.615 62.100 0.074 0.000 1.107 34 T CB -0.161 68.667 68.868 -0.065 0.000 0.898 34 T HN 0.287 nan 8.240 nan 0.000 0.517 35 Q N 0.810 120.629 119.800 0.032 0.000 2.297 35 Q HA -0.028 4.312 4.340 0.000 0.000 0.208 35 Q C 1.874 177.885 176.000 0.019 0.000 0.981 35 Q CA 1.014 56.826 55.803 0.015 0.000 0.876 35 Q CB -0.243 28.501 28.738 0.010 0.000 0.921 35 Q HN 0.414 nan 8.270 nan 0.000 0.446 36 K N 0.267 120.705 120.400 0.063 0.000 2.366 36 K HA 0.134 4.454 4.320 0.000 0.000 0.198 36 K C 0.961 177.582 176.600 0.034 0.000 1.044 36 K CA 0.133 56.459 56.287 0.065 0.000 0.973 36 K CB -0.157 32.418 32.500 0.125 0.000 0.767 36 K HN 0.173 nan 8.250 nan 0.000 0.475 37 L N 1.681 122.898 121.223 -0.010 0.000 2.439 37 L HA 0.181 4.522 4.340 0.000 0.000 0.261 37 L C -1.962 174.806 176.870 -0.171 0.000 1.153 37 L CA -2.101 52.672 54.840 -0.111 0.000 0.808 37 L CB 0.171 42.107 42.059 -0.205 0.000 1.126 37 L HN -0.102 nan 8.230 nan 0.000 0.460 38 P HA -0.013 nan 4.420 nan 0.000 0.268 38 P C -0.696 176.488 177.300 -0.194 0.000 1.208 38 P CA -0.221 62.693 63.100 -0.309 0.000 0.777 38 P CB 0.396 31.765 31.700 -0.552 0.000 0.875 39 E N 0.933 121.054 120.200 -0.131 0.000 2.413 39 E HA 0.194 4.544 4.350 0.000 0.000 0.263 39 E C 1.152 177.706 176.600 -0.076 0.000 1.015 39 E CA 0.928 57.280 56.400 -0.081 0.000 0.916 39 E CB -0.362 29.304 29.700 -0.056 0.000 0.947 39 E HN 0.732 nan 8.360 nan 0.000 0.440 40 G N 2.807 111.580 108.800 -0.044 0.000 2.241 40 G HA2 -0.338 3.622 3.960 0.000 0.000 0.244 40 G HA3 -0.338 3.622 3.960 0.000 0.000 0.244 40 G C 0.276 175.168 174.900 -0.013 0.000 0.998 40 G CA 0.336 45.422 45.100 -0.024 0.000 0.621 40 G HN 0.891 nan 8.290 nan 0.000 0.519 41 S N -0.111 115.567 115.700 -0.038 0.000 2.584 41 S HA 0.475 4.945 4.470 0.000 0.000 0.270 41 S C -0.026 174.590 174.600 0.027 0.000 1.346 41 S CA 0.394 58.593 58.200 -0.001 0.000 1.018 41 S CB 1.665 64.847 63.200 -0.030 0.000 0.899 41 S HN 0.704 nan 8.310 nan 0.000 0.542 42 N N -0.107 118.629 118.700 0.059 0.000 2.258 42 N HA 0.564 5.304 4.740 0.000 0.000 0.299 42 N C -1.402 174.173 175.510 0.109 0.000 1.047 42 N CA -0.657 52.442 53.050 0.082 0.000 0.814 42 N CB 1.950 40.481 38.487 0.073 0.000 1.413 42 N HN 0.918 nan 8.380 nan 0.000 0.478 43 A N 1.448 124.372 122.820 0.172 0.000 2.401 43 A HA 0.779 5.099 4.320 0.000 0.000 0.310 43 A C -0.456 177.297 177.584 0.281 0.000 1.075 43 A CA -0.665 51.493 52.037 0.201 0.000 0.746 43 A CB 1.603 20.669 19.000 0.110 0.000 1.277 43 A HN 0.593 nan 8.150 nan 0.000 0.425 44 G N 0.244 109.202 108.800 0.262 0.000 2.675 44 G HA2 0.564 4.524 3.960 0.000 0.000 0.297 44 G HA3 0.564 4.524 3.960 0.000 0.000 0.297 44 G C -1.416 173.577 174.900 0.154 0.000 1.399 44 G CA -0.301 44.914 45.100 0.192 0.000 0.981 44 G HN 0.872 nan 8.290 nan 0.000 0.519 45 V N 3.908 123.932 119.914 0.184 0.000 2.577 45 V HA 0.628 4.748 4.120 0.000 0.000 0.303 45 V C -0.496 175.632 176.094 0.057 0.000 1.042 45 V CA -0.759 61.614 62.300 0.122 0.000 0.872 45 V CB 1.792 33.719 31.823 0.173 0.000 0.998 45 V HN 0.766 nan 8.190 nan 0.000 0.423 46 I N 3.469 124.039 120.570 0.001 0.000 2.722 46 I HA 0.905 5.075 4.170 0.000 0.000 0.295 46 I C -0.713 175.406 176.117 0.003 0.000 1.161 46 I CA -0.439 60.854 61.300 -0.011 0.000 1.032 46 I CB 2.083 40.063 38.000 -0.034 0.000 1.244 46 I HN 0.767 nan 8.210 nan 0.000 0.421 47 A N 6.590 129.405 122.820 -0.009 0.000 2.549 47 A HA 0.682 5.002 4.320 0.000 0.000 0.297 47 A C -1.657 175.921 177.584 -0.011 0.000 1.061 47 A CA -0.709 51.339 52.037 0.019 0.000 0.690 47 A CB 1.963 20.985 19.000 0.037 0.000 1.287 47 A HN 0.651 nan 8.150 nan 0.000 0.402 48 K N 1.447 121.855 120.400 0.014 0.000 2.378 48 K HA 0.334 4.654 4.320 0.000 0.000 0.252 48 K C -1.107 175.516 176.600 0.038 0.000 0.931 48 K CA -0.675 55.619 56.287 0.013 0.000 0.794 48 K CB 1.263 33.773 32.500 0.017 0.000 1.181 48 K HN 0.731 nan 8.250 nan 0.000 0.425 49 N N 5.425 124.145 118.700 0.032 0.000 2.406 49 N HA 0.100 4.840 4.740 0.000 0.000 0.251 49 N C 0.767 176.304 175.510 0.046 0.000 1.069 49 N CA 0.035 53.115 53.050 0.050 0.000 0.947 49 N CB 0.534 39.053 38.487 0.054 0.000 1.111 49 N HN 0.701 nan 8.380 nan 0.000 0.497 50 I N 2.972 123.575 120.570 0.054 0.000 2.252 50 I HA -0.236 3.934 4.170 0.000 0.000 0.245 50 I C 1.949 178.083 176.117 0.028 0.000 1.102 50 I CA 0.621 61.948 61.300 0.044 0.000 1.385 50 I CB -0.132 37.899 38.000 0.052 0.000 1.064 50 I HN 0.588 nan 8.210 nan 0.000 0.414 51 N N 0.677 119.393 118.700 0.025 0.000 2.104 51 N HA -0.244 4.496 4.740 0.000 0.000 0.190 51 N C 1.659 177.180 175.510 0.017 0.000 1.024 51 N CA 1.414 54.473 53.050 0.015 0.000 0.853 51 N CB -0.185 38.309 38.487 0.013 0.000 1.008 51 N HN 0.550 nan 8.380 nan 0.000 0.424 52 Q N 0.397 120.211 119.800 0.024 0.000 2.398 52 Q HA 0.025 4.365 4.340 0.000 0.000 0.204 52 Q C -0.121 175.894 176.000 0.025 0.000 0.932 52 Q CA -0.219 55.599 55.803 0.026 0.000 0.916 52 Q CB 0.074 28.834 28.738 0.036 0.000 1.024 52 Q HN 0.228 nan 8.270 nan 0.000 0.504 53 N N 1.568 120.283 118.700 0.025 0.000 2.714 53 N HA -0.154 4.587 4.740 0.000 0.000 0.253 53 N C -1.489 174.036 175.510 0.025 0.000 1.024 53 N CA 0.567 53.631 53.050 0.024 0.000 0.726 53 N CB -0.509 37.990 38.487 0.020 0.000 0.908 53 N HN 0.161 nan 8.380 nan 0.000 0.542 54 Q N 0.739 120.556 119.800 0.028 0.000 2.337 54 Q HA 0.379 4.719 4.340 0.000 0.000 0.270 54 Q C 0.105 176.112 176.000 0.012 0.000 1.043 54 Q CA -0.659 55.162 55.803 0.029 0.000 0.794 54 Q CB 1.558 30.327 28.738 0.053 0.000 1.281 54 Q HN 0.270 nan 8.270 nan 0.000 0.446 55 I N 4.801 125.372 120.570 0.001 0.000 2.452 55 I HA 0.047 4.218 4.170 0.000 0.000 0.287 55 I C 1.560 177.638 176.117 -0.064 0.000 1.079 55 I CA 0.399 61.684 61.300 -0.025 0.000 1.387 55 I CB 0.339 38.329 38.000 -0.017 0.000 1.404 55 I HN 0.691 nan 8.210 nan 0.000 0.522 56 I N 2.817 123.300 120.570 -0.146 0.000 4.139 56 I HA 0.515 4.685 4.170 0.000 0.000 0.335 56 I C 0.536 176.411 176.117 -0.404 0.000 1.327 56 I CA -0.055 61.020 61.300 -0.375 0.000 1.112 56 I CB 0.664 38.311 38.000 -0.590 0.000 1.058 56 I HN 0.453 nan 8.210 nan 0.000 0.396 57 A N 1.180 123.877 122.820 -0.205 0.000 2.488 57 A HA 0.693 5.013 4.320 0.000 0.000 0.298 57 A C -1.784 175.776 177.584 -0.040 0.000 1.044 57 A CA -0.292 51.667 52.037 -0.129 0.000 0.693 57 A CB 1.427 20.342 19.000 -0.142 0.000 1.272 57 A HN 0.226 nan 8.150 nan 0.000 0.402 58 D N 0.926 121.338 120.400 0.019 0.000 2.351 58 D HA 0.292 4.932 4.640 0.000 0.000 0.235 58 D C -2.136 174.227 176.300 0.105 0.000 1.331 58 D CA 0.123 54.145 54.000 0.037 0.000 0.959 58 D CB 0.441 41.246 40.800 0.008 0.000 1.432 58 D HN 0.435 nan 8.370 nan 0.000 0.544 59 Y N 3.703 123.996 120.300 -0.012 0.000 2.332 59 Y HA 0.349 4.899 4.550 0.000 0.000 0.326 59 Y C 0.133 176.042 175.900 0.015 0.000 0.978 59 Y CA -0.721 57.383 58.100 0.006 0.000 1.205 59 Y CB 0.677 39.150 38.460 0.021 0.000 1.131 59 Y HN 0.230 nan 8.280 nan 0.000 0.462 60 N N 2.945 121.405 118.700 -0.400 0.000 2.721 60 N HA -0.200 4.540 4.740 0.000 0.000 0.249 60 N C 1.073 176.527 175.510 -0.094 0.000 1.072 60 N CA 1.163 54.051 53.050 -0.269 0.000 0.710 60 N CB -1.002 37.291 38.487 -0.325 0.000 0.993 60 N HN 1.007 nan 8.380 nan 0.000 0.547 61 G N -1.108 107.655 108.800 -0.063 0.000 2.484 61 G HA2 -0.090 3.870 3.960 0.000 0.000 0.218 61 G HA3 -0.090 3.870 3.960 0.000 0.000 0.218 61 G C 1.169 176.050 174.900 -0.031 0.000 1.130 61 G CA 0.885 45.966 45.100 -0.032 0.000 0.784 61 G HN 0.392 nan 8.290 nan 0.000 0.543 62 S N 0.113 115.775 115.700 -0.064 0.000 2.556 62 S HA 0.151 4.621 4.470 0.000 0.000 0.216 62 S C 0.673 175.173 174.600 -0.166 0.000 0.970 62 S CA -0.206 57.934 58.200 -0.101 0.000 0.912 62 S CB 0.471 63.598 63.200 -0.123 0.000 0.790 62 S HN 0.213 nan 8.310 nan 0.000 0.504 63 T N 3.524 118.024 114.554 -0.090 0.000 2.794 63 T HA 0.320 4.670 4.350 0.000 0.000 0.296 63 T C -0.198 174.536 174.700 0.057 0.000 0.949 63 T CA -0.191 61.862 62.100 -0.079 0.000 1.101 63 T CB -0.052 68.806 68.868 -0.018 0.000 0.905 63 T HN 0.054 nan 8.240 nan 0.000 0.516 64 F N 4.004 124.013 119.950 0.098 0.000 2.543 64 F HA 0.327 4.854 4.527 0.000 0.000 0.375 64 F C 0.749 176.613 175.800 0.108 0.000 1.075 64 F CA -0.322 57.750 58.000 0.121 0.000 1.225 64 F CB -0.274 38.779 39.000 0.087 0.000 1.099 64 F HN 0.359 nan 8.300 nan 0.000 0.561 65 M N 2.822 122.609 119.600 0.312 0.000 2.744 65 M HA 0.460 4.940 4.480 0.000 0.000 0.283 65 M C -1.085 175.170 176.300 -0.075 0.000 1.275 65 M CA -0.997 54.374 55.300 0.119 0.000 0.796 65 M CB 2.121 34.816 32.600 0.160 0.000 1.739 65 M HN 0.188 nan 8.290 nan 0.000 0.454 66 L N 2.930 124.056 121.223 -0.162 0.000 2.319 66 L HA 0.255 4.595 4.340 0.000 0.000 0.280 66 L C -1.548 175.024 176.870 -0.495 0.000 1.099 66 L CA -1.235 53.471 54.840 -0.224 0.000 0.828 66 L CB 0.701 42.666 42.059 -0.157 0.000 1.150 66 L HN 0.425 nan 8.230 nan 0.000 0.442 67 P HA 0.011 nan 4.420 nan 0.000 0.239 67 P C 0.714 177.813 177.300 -0.336 0.000 1.188 67 P CA 0.880 63.584 63.100 -0.661 0.000 0.794 67 P CB 0.629 32.148 31.700 -0.302 0.000 0.937 68 A N 0.617 123.294 122.820 -0.238 0.000 5.695 68 A HA -0.258 4.062 4.320 0.000 0.000 0.297 68 A C 1.764 179.264 177.584 -0.140 0.000 1.947 68 A CA 1.606 53.532 52.037 -0.184 0.000 0.717 68 A CB -2.399 16.479 19.000 -0.204 0.000 1.252 68 A HN 0.184 nan 8.150 nan 0.000 0.378 69 S N 0.239 115.863 115.700 -0.125 0.000 2.547 69 S HA -0.012 4.458 4.470 0.000 0.000 0.235 69 S C 1.915 176.462 174.600 -0.089 0.000 0.980 69 S CA 1.913 60.053 58.200 -0.101 0.000 0.941 69 S CB -0.780 62.363 63.200 -0.094 0.000 0.763 69 S HN 1.664 nan 8.310 nan 0.000 0.532 70 T N -0.005 114.507 114.554 -0.069 0.000 2.977 70 T HA -0.178 4.173 4.350 0.000 0.000 0.271 70 T C 1.624 176.213 174.700 -0.185 0.000 1.105 70 T CA 1.307 63.371 62.100 -0.061 0.000 1.116 70 T CB -0.390 68.535 68.868 0.095 0.000 0.878 70 T HN 0.351 nan 8.240 nan 0.000 0.509 71 Q N 1.439 121.146 119.800 -0.157 0.000 2.248 71 Q HA -0.103 4.238 4.340 0.000 0.000 0.208 71 Q C 2.147 178.077 176.000 -0.116 0.000 0.984 71 Q CA 1.547 57.264 55.803 -0.144 0.000 0.875 71 Q CB -0.380 28.363 28.738 0.007 0.000 0.910 71 Q HN 0.620 nan 8.270 nan 0.000 0.433 72 K N -0.855 119.487 120.400 -0.096 0.000 2.280 72 K HA -0.102 4.218 4.320 0.000 0.000 0.202 72 K C 1.832 178.399 176.600 -0.055 0.000 1.047 72 K CA 1.099 57.357 56.287 -0.048 0.000 0.942 72 K CB 0.028 32.489 32.500 -0.066 0.000 0.739 72 K HN 0.100 nan 8.250 nan 0.000 0.457 73 V N 0.932 120.756 119.914 -0.150 0.000 2.332 73 V HA -0.251 3.870 4.120 0.000 0.000 0.248 73 V C 1.890 178.021 176.094 0.061 0.000 1.055 73 V CA 1.734 63.973 62.300 -0.102 0.000 1.038 73 V CB -0.551 31.176 31.823 -0.161 0.000 0.651 73 V HN 0.160 nan 8.190 nan 0.000 0.450 74 F N 0.749 120.779 119.950 0.134 0.000 2.171 74 F HA -0.135 4.392 4.527 0.000 0.000 0.300 74 F C 2.600 178.476 175.800 0.127 0.000 1.090 74 F CA 1.639 59.733 58.000 0.157 0.000 1.293 74 F CB -1.785 37.332 39.000 0.194 0.000 1.013 74 F HN 0.105 nan 8.300 nan 0.000 0.486 75 T N 0.006 114.743 114.554 0.306 0.000 2.777 75 T HA -0.135 4.215 4.350 0.000 0.000 0.266 75 T C 2.337 177.128 174.700 0.152 0.000 1.040 75 T CA 1.290 63.527 62.100 0.228 0.000 1.141 75 T CB -0.663 68.320 68.868 0.191 0.000 0.868 75 T HN 0.272 nan 8.240 nan 0.000 0.444 76 A N 0.984 123.879 122.820 0.125 0.000 1.902 76 A HA -0.058 4.262 4.320 0.000 0.000 0.217 76 A C 2.577 180.235 177.584 0.124 0.000 1.181 76 A CA 1.408 53.505 52.037 0.099 0.000 0.623 76 A CB -0.981 18.054 19.000 0.059 0.000 0.818 76 A HN 0.363 nan 8.150 nan 0.000 0.443 77 V N -0.349 119.666 119.914 0.168 0.000 2.379 77 V HA -0.175 3.945 4.120 0.000 0.000 0.245 77 V C 3.037 179.197 176.094 0.110 0.000 1.044 77 V CA 1.750 64.160 62.300 0.182 0.000 1.036 77 V CB -1.143 30.823 31.823 0.237 0.000 0.664 77 V HN 0.609 nan 8.190 nan 0.000 0.453 78 A N 0.085 122.955 122.820 0.084 0.000 1.902 78 A HA -0.117 4.204 4.320 0.000 0.000 0.217 78 A C 2.408 179.964 177.584 -0.047 0.000 1.181 78 A CA 2.097 54.127 52.037 -0.012 0.000 0.623 78 A CB -0.720 18.257 19.000 -0.038 0.000 0.818 78 A HN 0.555 nan 8.150 nan 0.000 0.443 79 A N -0.400 122.412 122.820 -0.012 0.000 1.898 79 A HA -0.114 4.206 4.320 0.000 0.000 0.216 79 A C 2.119 179.682 177.584 -0.034 0.000 1.181 79 A CA 1.650 53.650 52.037 -0.062 0.000 0.620 79 A CB -0.368 18.617 19.000 -0.025 0.000 0.819 79 A HN 0.358 nan 8.150 nan 0.000 0.442 80 K N -0.144 120.274 120.400 0.031 0.000 2.044 80 K HA -0.126 4.194 4.320 0.000 0.000 0.210 80 K C 1.934 178.559 176.600 0.041 0.000 1.049 80 K CA 1.493 57.813 56.287 0.055 0.000 0.927 80 K CB -0.677 31.880 32.500 0.095 0.000 0.713 80 K HN 0.562 nan 8.250 nan 0.000 0.443 81 L N -0.098 121.147 121.223 0.036 0.000 2.056 81 L HA -0.134 4.206 4.340 0.000 0.000 0.207 81 L C 2.488 179.357 176.870 -0.001 0.000 1.078 81 L CA 1.336 56.193 54.840 0.029 0.000 0.749 81 L CB -0.391 41.684 42.059 0.027 0.000 0.901 81 L HN 0.122 nan 8.230 nan 0.000 0.433 82 A N -0.948 121.840 122.820 -0.053 0.000 1.997 82 A HA 0.150 4.470 4.320 0.000 0.000 0.212 82 A C 2.072 179.618 177.584 -0.063 0.000 1.178 82 A CA 0.448 52.450 52.037 -0.059 0.000 0.698 82 A CB -0.033 18.877 19.000 -0.150 0.000 0.842 82 A HN 0.304 nan 8.150 nan 0.000 0.458 83 L N -1.592 119.562 121.223 -0.115 0.000 2.362 83 L HA 0.394 4.734 4.340 0.000 0.000 0.204 83 L C 1.318 178.198 176.870 0.016 0.000 1.060 83 L CA 0.528 55.277 54.840 -0.151 0.000 0.827 83 L CB -0.565 41.172 42.059 -0.536 0.000 1.027 83 L HN 0.545 nan 8.230 nan 0.000 0.474 84 G N 0.493 109.311 108.800 0.030 0.000 2.781 84 G HA2 -0.225 3.735 3.960 0.000 0.000 0.683 84 G HA3 -0.225 3.735 3.960 0.000 0.000 0.683 84 G C -0.342 174.630 174.900 0.121 0.000 1.390 84 G CA -0.183 44.963 45.100 0.077 0.000 0.850 84 G HN 0.129 nan 8.290 nan 0.000 0.557 85 D N 0.187 120.653 120.400 0.110 0.000 2.312 85 D HA 0.015 4.655 4.640 0.000 0.000 0.211 85 D C 2.391 178.758 176.300 0.112 0.000 0.964 85 D CA 1.132 55.202 54.000 0.117 0.000 0.877 85 D CB 0.174 41.037 40.800 0.105 0.000 0.924 85 D HN 0.421 nan 8.370 nan 0.000 0.515 86 Q N -0.594 119.270 119.800 0.105 0.000 2.403 86 Q HA 0.122 4.463 4.340 0.000 0.000 0.203 86 Q C 0.058 176.101 176.000 0.072 0.000 0.932 86 Q CA -0.282 55.564 55.803 0.073 0.000 0.945 86 Q CB -0.158 28.608 28.738 0.046 0.000 1.045 86 Q HN 0.229 nan 8.270 nan 0.000 0.511 87 F N 1.625 121.566 119.950 -0.014 0.000 2.529 87 F HA 0.140 4.668 4.527 0.000 0.000 0.365 87 F C -0.074 175.694 175.800 -0.054 0.000 1.102 87 F CA 0.207 58.175 58.000 -0.052 0.000 1.271 87 F CB 0.430 39.381 39.000 -0.082 0.000 1.120 87 F HN -0.070 nan 8.300 nan 0.000 0.579 88 Q N 4.876 124.055 119.800 -1.036 0.000 2.359 88 Q HA 0.362 4.702 4.340 0.000 0.000 0.274 88 Q C -1.438 173.914 176.000 -1.079 0.000 1.074 88 Q CA -0.923 54.420 55.803 -0.767 0.000 0.810 88 Q CB 2.392 30.936 28.738 -0.323 0.000 1.342 88 Q HN 0.583 nan 8.270 nan 0.000 0.427 89 F N 1.260 120.898 119.950 -0.521 0.000 2.429 89 F HA 0.195 4.722 4.527 0.000 0.000 0.348 89 F C 0.576 176.284 175.800 -0.154 0.000 1.109 89 F CA 0.047 57.892 58.000 -0.259 0.000 1.232 89 F CB 0.842 39.848 39.000 0.011 0.000 1.157 89 F HN 0.326 nan 8.300 nan 0.000 0.564 90 E N 1.147 121.395 120.200 0.080 0.000 2.171 90 E HA 0.418 4.769 4.350 0.000 0.000 0.271 90 E C -1.012 175.616 176.600 0.047 0.000 0.916 90 E CA -0.766 55.649 56.400 0.025 0.000 0.774 90 E CB 1.780 31.460 29.700 -0.033 0.000 1.128 90 E HN 0.440 nan 8.360 nan 0.000 0.403 91 T N 1.658 116.235 114.554 0.038 0.000 2.812 91 T HA 0.642 4.992 4.350 0.000 0.000 0.282 91 T C -0.877 173.750 174.700 -0.122 0.000 0.990 91 T CA -0.598 61.447 62.100 -0.092 0.000 0.960 91 T CB 1.366 70.187 68.868 -0.078 0.000 0.948 91 T HN 0.536 nan 8.240 nan 0.000 0.438 92 A N 3.261 125.960 122.820 -0.203 0.000 2.515 92 A HA 0.925 5.245 4.320 0.000 0.000 0.296 92 A C -1.472 176.008 177.584 -0.172 0.000 1.094 92 A CA -0.815 51.138 52.037 -0.140 0.000 0.718 92 A CB 1.278 20.221 19.000 -0.095 0.000 1.307 92 A HN 0.775 nan 8.150 nan 0.000 0.408 93 L N 1.070 122.221 121.223 -0.121 0.000 2.341 93 L HA 0.677 5.017 4.340 0.000 0.000 0.278 93 L C -1.324 175.500 176.870 -0.077 0.000 1.005 93 L CA -0.512 54.260 54.840 -0.113 0.000 0.818 93 L CB 1.460 43.457 42.059 -0.102 0.000 1.259 93 L HN 0.604 nan 8.230 nan 0.000 0.418 94 L N 1.981 123.164 121.223 -0.067 0.000 2.376 94 L HA 0.746 5.086 4.340 0.000 0.000 0.258 94 L C -0.322 176.529 176.870 -0.033 0.000 1.013 94 L CA -0.285 54.530 54.840 -0.043 0.000 0.822 94 L CB 2.208 44.247 42.059 -0.034 0.000 1.388 94 L HN 0.537 nan 8.230 nan 0.000 0.413 95 S N -0.786 114.902 115.700 -0.020 0.000 2.570 95 S HA 0.478 4.948 4.470 0.000 0.000 0.270 95 S C -0.489 174.109 174.600 -0.003 0.000 1.149 95 S CA -0.601 57.593 58.200 -0.010 0.000 0.837 95 S CB 1.345 64.540 63.200 -0.008 0.000 1.124 95 S HN 0.659 nan 8.310 nan 0.000 0.465 96 N N 1.060 119.762 118.700 0.004 0.000 2.299 96 N HA 0.162 4.902 4.740 0.000 0.000 0.187 96 N C 0.671 176.185 175.510 0.006 0.000 1.099 96 N CA 0.197 53.250 53.050 0.005 0.000 0.867 96 N CB 0.504 38.996 38.487 0.008 0.000 0.974 96 N HN 0.629 nan 8.380 nan 0.000 0.477 97 G N 0.488 109.292 108.800 0.007 0.000 2.504 97 G HA2 0.267 4.228 3.960 0.000 0.000 0.288 97 G HA3 0.267 4.228 3.960 0.000 0.000 0.288 97 G C -0.093 174.810 174.900 0.004 0.000 1.182 97 G CA -0.401 44.704 45.100 0.008 0.000 0.894 97 G HN -0.033 nan 8.290 nan 0.000 0.521 98 K N -0.065 120.337 120.400 0.004 0.000 2.218 98 K HA 0.218 4.538 4.320 0.000 0.000 0.276 98 K C -0.077 176.524 176.600 0.002 0.000 1.022 98 K CA -0.169 56.119 56.287 0.002 0.000 0.946 98 K CB 1.654 34.155 32.500 0.002 0.000 1.000 98 K HN 0.292 nan 8.250 nan 0.000 0.468 99 I N 4.407 124.977 120.570 -0.001 0.000 2.421 99 I HA -0.052 4.118 4.170 0.000 0.000 0.291 99 I C 0.473 176.590 176.117 0.000 0.000 1.089 99 I CA 0.203 61.502 61.300 -0.001 0.000 1.354 99 I CB 0.049 38.047 38.000 -0.004 0.000 1.413 99 I HN 0.453 nan 8.210 nan 0.000 0.513 100 Q N 5.430 125.231 119.800 0.002 0.000 2.347 100 Q HA 0.412 4.752 4.340 0.000 0.000 0.271 100 Q C -0.544 175.457 176.000 0.002 0.000 1.064 100 Q CA -0.911 54.893 55.803 0.001 0.000 0.800 100 Q CB 1.587 30.326 28.738 0.002 0.000 1.304 100 Q HN 0.711 nan 8.270 nan 0.000 0.438 101 N N 1.352 120.053 118.700 0.001 0.000 2.735 101 N HA -0.242 4.498 4.740 0.000 0.000 0.248 101 N C 0.569 176.080 175.510 0.002 0.000 1.083 101 N CA 0.667 53.717 53.050 0.001 0.000 0.703 101 N CB -1.324 37.164 38.487 0.001 0.000 1.005 101 N HN 1.191 nan 8.380 nan 0.000 0.550 102 G N -1.618 107.182 108.800 0.001 0.000 2.162 102 G HA2 -0.336 3.625 3.960 0.000 0.000 0.260 102 G HA3 -0.336 3.625 3.960 0.000 0.000 0.260 102 G C -0.323 174.579 174.900 0.004 0.000 0.976 102 G CA 0.349 45.450 45.100 0.001 0.000 0.655 102 G HN 0.496 nan 8.290 nan 0.000 0.533 103 N N -0.241 118.462 118.700 0.006 0.000 2.321 103 N HA 0.555 5.296 4.740 0.000 0.000 0.299 103 N C -0.604 174.912 175.510 0.011 0.000 1.048 103 N CA -0.704 52.353 53.050 0.011 0.000 0.836 103 N CB 1.906 40.400 38.487 0.012 0.000 1.269 103 N HN 0.215 nan 8.380 nan 0.000 0.486 104 L N 1.632 122.866 121.223 0.017 0.000 2.283 104 L HA 0.231 4.571 4.340 0.000 0.000 0.287 104 L C 0.118 177.002 176.870 0.023 0.000 1.073 104 L CA -0.133 54.717 54.840 0.016 0.000 0.822 104 L CB -0.030 42.038 42.059 0.015 0.000 1.186 104 L HN 0.482 nan 8.230 nan 0.000 0.436 105 D N 3.995 124.405 120.400 0.017 0.000 2.943 105 D HA 0.551 5.191 4.640 0.000 0.000 0.249 105 D C 0.133 176.445 176.300 0.019 0.000 1.231 105 D CA 0.461 54.471 54.000 0.017 0.000 0.979 105 D CB -0.126 40.681 40.800 0.011 0.000 1.053 105 D HN 0.729 nan 8.370 nan 0.000 0.504 106 G N 0.601 109.419 108.800 0.029 0.000 2.427 106 G HA2 0.117 4.077 3.960 0.000 0.000 0.306 106 G HA3 0.117 4.077 3.960 0.000 0.000 0.306 106 G C -1.099 173.830 174.900 0.048 0.000 1.280 106 G CA -0.981 44.137 45.100 0.031 0.000 0.837 106 G HN 0.149 nan 8.290 nan 0.000 0.482 107 N N -0.429 118.299 118.700 0.046 0.000 2.483 107 N HA 0.480 5.220 4.740 0.000 0.000 0.269 107 N C -0.638 174.892 175.510 0.033 0.000 1.209 107 N CA -0.361 52.726 53.050 0.061 0.000 0.969 107 N CB 1.835 40.353 38.487 0.052 0.000 1.173 107 N HN 0.476 nan 8.380 nan 0.000 0.475 108 L N 1.881 123.115 121.223 0.018 0.000 2.264 108 L HA 0.505 4.845 4.340 0.000 0.000 0.289 108 L C -0.741 176.102 176.870 -0.045 0.000 1.044 108 L CA -0.185 54.632 54.840 -0.038 0.000 0.807 108 L CB 0.253 42.254 42.059 -0.096 0.000 1.192 108 L HN 0.417 nan 8.230 nan 0.000 0.425 109 I N 5.770 126.313 120.570 -0.044 0.000 2.336 109 I HA 0.390 4.560 4.170 0.000 0.000 0.292 109 I C -0.676 175.390 176.117 -0.085 0.000 0.991 109 I CA -0.748 60.526 61.300 -0.042 0.000 1.227 109 I CB 1.681 39.664 38.000 -0.028 0.000 1.366 109 I HN 0.275 nan 8.210 nan 0.000 0.466 110 V N 5.049 124.906 119.914 -0.096 0.000 2.409 110 V HA 0.282 4.402 4.120 0.000 0.000 0.291 110 V C 0.047 175.997 176.094 -0.239 0.000 1.020 110 V CA -0.501 61.666 62.300 -0.221 0.000 0.848 110 V CB 1.624 33.296 31.823 -0.252 0.000 0.990 110 V HN 0.774 nan 8.190 nan 0.000 0.430 111 S N 5.425 120.947 115.700 -0.297 0.000 2.429 111 S HA 0.729 5.199 4.470 0.000 0.000 0.302 111 S C -1.006 173.403 174.600 -0.317 0.000 1.115 111 S CA -0.329 57.753 58.200 -0.197 0.000 1.095 111 S CB 0.117 63.243 63.200 -0.124 0.000 0.987 111 S HN 0.380 nan 8.310 nan 0.000 0.474 112 F N 2.446 122.355 119.950 -0.068 0.000 2.469 112 F HA 0.438 4.965 4.527 0.000 0.000 0.332 112 F C 1.427 177.127 175.800 -0.166 0.000 1.103 112 F CA -0.632 57.317 58.000 -0.085 0.000 0.979 112 F CB 2.389 41.348 39.000 -0.068 0.000 1.137 112 F HN 0.667 nan 8.300 nan 0.000 0.463 113 T N -1.818 112.755 114.554 0.032 0.000 3.288 113 T HA 0.450 4.800 4.350 0.000 0.000 0.293 113 T C 0.853 175.435 174.700 -0.197 0.000 1.008 113 T CA 0.095 62.096 62.100 -0.163 0.000 0.929 113 T CB 0.117 68.963 68.868 -0.037 0.000 1.152 113 T HN 1.149 nan 8.240 nan 0.000 0.517 114 G N 1.401 110.073 108.800 -0.213 0.000 2.163 114 G HA2 -0.195 3.765 3.960 0.000 0.000 0.213 114 G HA3 -0.195 3.765 3.960 0.000 0.000 0.213 114 G C -0.242 174.366 174.900 -0.488 0.000 0.991 114 G CA -0.204 44.786 45.100 -0.183 0.000 0.653 114 G HN 0.707 nan 8.290 nan 0.000 0.518 115 D N 1.424 121.537 120.400 -0.478 0.000 2.520 115 D HA 0.192 4.832 4.640 0.000 0.000 0.243 115 D C -0.585 175.470 176.300 -0.407 0.000 1.160 115 D CA -0.621 52.947 54.000 -0.720 0.000 0.877 115 D CB 1.224 41.981 40.800 -0.071 0.000 1.150 115 D HN 0.265 nan 8.370 nan 0.000 0.494 116 P HA 0.125 nan 4.420 nan 0.000 0.261 116 P C -0.192 177.087 177.300 -0.036 0.000 1.352 116 P CA 0.121 63.138 63.100 -0.139 0.000 0.891 116 P CB 0.546 32.193 31.700 -0.089 0.000 1.383 117 D N -0.366 120.024 120.400 -0.016 0.000 2.760 117 D HA 0.139 4.779 4.640 0.000 0.000 0.314 117 D C -0.788 175.557 176.300 0.074 0.000 1.464 117 D CA -0.394 53.637 54.000 0.051 0.000 0.797 117 D CB -0.223 40.626 40.800 0.082 0.000 1.149 117 D HN -0.078 nan 8.370 nan 0.000 0.455 118 L N 1.827 123.084 121.223 0.058 0.000 2.264 118 L HA 0.527 4.868 4.340 0.000 0.000 0.289 118 L C 0.299 177.200 176.870 0.051 0.000 1.044 118 L CA -0.075 54.793 54.840 0.047 0.000 0.807 118 L CB 0.935 43.027 42.059 0.055 0.000 1.192 118 L HN 0.132 nan 8.230 nan 0.000 0.425 119 T N 1.089 115.661 114.554 0.030 0.000 2.912 119 T HA 0.351 4.701 4.350 0.000 0.000 0.280 119 T C 1.080 175.808 174.700 0.046 0.000 0.989 119 T CA -0.498 61.634 62.100 0.053 0.000 0.995 119 T CB 1.076 69.975 68.868 0.051 0.000 1.077 119 T HN 0.715 nan 8.240 nan 0.000 0.531 120 R N 0.220 120.760 120.500 0.067 0.000 2.092 120 R HA -0.006 4.334 4.340 0.000 0.000 0.231 120 R C 2.477 178.808 176.300 0.051 0.000 1.119 120 R CA 1.587 57.722 56.100 0.058 0.000 0.970 120 R CB -1.071 29.256 30.300 0.046 0.000 0.864 120 R HN 0.898 nan 8.270 nan 0.000 0.440 121 G N 0.067 108.886 108.800 0.031 0.000 2.408 121 G HA2 -0.262 3.699 3.960 0.000 0.000 0.217 121 G HA3 -0.262 3.699 3.960 0.000 0.000 0.217 121 G C 1.172 176.115 174.900 0.072 0.000 1.150 121 G CA 0.335 45.459 45.100 0.039 0.000 0.776 121 G HN 0.385 nan 8.290 nan 0.000 0.542 122 Q N -0.643 119.165 119.800 0.013 0.000 2.084 122 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 122 Q C 2.448 178.378 176.000 -0.117 0.000 0.978 122 Q CA 1.118 56.879 55.803 -0.070 0.000 0.844 122 Q CB -0.273 28.328 28.738 -0.229 0.000 0.898 122 Q HN 0.419 nan 8.270 nan 0.000 0.426 123 L N -0.325 120.854 121.223 -0.073 0.000 2.093 123 L HA -0.180 4.160 4.340 0.000 0.000 0.208 123 L C 2.097 178.973 176.870 0.010 0.000 1.085 123 L CA 1.667 56.479 54.840 -0.047 0.000 0.755 123 L CB -0.579 41.500 42.059 0.034 0.000 0.904 123 L HN 0.204 nan 8.230 nan 0.000 0.435 124 Y N -0.537 119.732 120.300 -0.052 0.000 2.181 124 Y HA -0.222 4.328 4.550 0.000 0.000 0.288 124 Y C 2.589 178.469 175.900 -0.033 0.000 1.146 124 Y CA 1.941 60.017 58.100 -0.039 0.000 1.164 124 Y CB -0.286 38.154 38.460 -0.032 0.000 0.982 124 Y HN 0.218 nan 8.280 nan 0.000 0.515 125 S N 0.300 116.077 115.700 0.129 0.000 2.383 125 S HA -0.162 4.308 4.470 0.000 0.000 0.227 125 S C 1.866 176.450 174.600 -0.027 0.000 1.026 125 S CA 1.235 59.469 58.200 0.057 0.000 0.981 125 S CB -0.637 62.628 63.200 0.107 0.000 0.818 125 S HN 0.481 nan 8.310 nan 0.000 0.472 126 L N 1.799 123.002 121.223 -0.033 0.000 2.017 126 L HA 0.007 4.347 4.340 0.000 0.000 0.208 126 L C 1.896 178.703 176.870 -0.105 0.000 1.073 126 L CA 1.693 56.504 54.840 -0.048 0.000 0.745 126 L CB -0.556 41.466 42.059 -0.061 0.000 0.894 126 L HN 0.263 nan 8.230 nan 0.000 0.432 127 L N -0.528 120.600 121.223 -0.159 0.000 2.141 127 L HA -0.103 4.237 4.340 0.000 0.000 0.209 127 L C 2.647 179.383 176.870 -0.223 0.000 1.094 127 L CA 0.912 55.636 54.840 -0.193 0.000 0.763 127 L CB -0.878 41.047 42.059 -0.224 0.000 0.908 127 L HN 0.377 nan 8.230 nan 0.000 0.437 128 A N -0.164 122.485 122.820 -0.285 0.000 2.024 128 A HA -0.253 4.067 4.320 0.000 0.000 0.220 128 A C 2.150 179.659 177.584 -0.125 0.000 1.164 128 A CA 1.735 53.629 52.037 -0.238 0.000 0.643 128 A CB -0.396 18.466 19.000 -0.230 0.000 0.806 128 A HN 0.357 nan 8.150 nan 0.000 0.451 129 E N 0.100 120.242 120.200 -0.096 0.000 2.204 129 E HA -0.123 4.227 4.350 0.000 0.000 0.195 129 E C 1.738 178.301 176.600 -0.062 0.000 0.990 129 E CA 0.873 57.236 56.400 -0.062 0.000 0.821 129 E CB -0.383 29.288 29.700 -0.047 0.000 0.750 129 E HN 0.681 nan 8.360 nan 0.000 0.477 130 L N 0.070 121.246 121.223 -0.078 0.000 2.083 130 L HA -0.165 4.175 4.340 0.000 0.000 0.209 130 L C 2.444 179.283 176.870 -0.053 0.000 1.083 130 L CA 1.176 55.978 54.840 -0.064 0.000 0.752 130 L CB -0.386 41.628 42.059 -0.075 0.000 0.899 130 L HN 0.064 nan 8.230 nan 0.000 0.433 131 K N 0.435 120.797 120.400 -0.064 0.000 2.097 131 K HA -0.172 4.149 4.320 0.000 0.000 0.206 131 K C 2.106 178.686 176.600 -0.033 0.000 1.049 131 K CA 1.241 57.500 56.287 -0.047 0.000 0.933 131 K CB -0.027 32.439 32.500 -0.056 0.000 0.717 131 K HN 0.326 nan 8.250 nan 0.000 0.442 132 K N 0.752 121.131 120.400 -0.034 0.000 2.097 132 K HA -0.160 4.160 4.320 0.000 0.000 0.206 132 K C 1.768 178.356 176.600 -0.020 0.000 1.049 132 K CA 1.182 57.455 56.287 -0.023 0.000 0.933 132 K CB -0.019 32.469 32.500 -0.021 0.000 0.717 132 K HN 0.234 nan 8.250 nan 0.000 0.442 133 Q N -0.255 119.531 119.800 -0.024 0.000 2.373 133 Q HA 0.047 4.387 4.340 0.000 0.000 0.206 133 Q C 0.577 176.567 176.000 -0.016 0.000 0.942 133 Q CA 0.367 56.158 55.803 -0.019 0.000 0.953 133 Q CB 0.507 29.232 28.738 -0.022 0.000 1.022 133 Q HN 0.527 nan 8.270 nan 0.000 0.502 134 G N 1.345 110.135 108.800 -0.016 0.000 2.143 134 G HA2 -0.284 3.676 3.960 0.000 0.000 0.248 134 G HA3 -0.284 3.676 3.960 0.000 0.000 0.248 134 G C 0.115 175.009 174.900 -0.010 0.000 0.991 134 G CA -0.186 44.907 45.100 -0.012 0.000 0.689 134 G HN 0.374 nan 8.290 nan 0.000 0.522 135 I N 0.389 120.950 120.570 -0.015 0.000 2.452 135 I HA 0.320 4.491 4.170 0.000 0.000 0.287 135 I C 1.158 177.270 176.117 -0.008 0.000 1.079 135 I CA 0.144 61.438 61.300 -0.010 0.000 1.387 135 I CB 1.260 39.251 38.000 -0.015 0.000 1.404 135 I HN 0.235 nan 8.210 nan 0.000 0.522 136 K N 4.752 125.153 120.400 0.001 0.000 2.438 136 K HA 0.339 4.660 4.320 0.000 0.000 0.206 136 K C -0.041 176.569 176.600 0.018 0.000 1.081 136 K CA -0.311 55.979 56.287 0.005 0.000 1.053 136 K CB 0.558 33.061 32.500 0.004 0.000 0.908 136 K HN 0.389 nan 8.250 nan 0.000 0.556 137 K N 0.777 121.191 120.400 0.024 0.000 2.542 137 K HA 0.450 4.770 4.320 0.000 0.000 0.259 137 K C -1.569 175.066 176.600 0.057 0.000 0.932 137 K CA -0.694 55.619 56.287 0.043 0.000 0.820 137 K CB 1.485 34.003 32.500 0.029 0.000 1.345 137 K HN 0.090 nan 8.250 nan 0.000 0.432 138 I N 3.857 124.490 120.570 0.106 0.000 2.362 138 I HA 0.209 4.379 4.170 0.000 0.000 0.289 138 I C 0.518 176.708 176.117 0.122 0.000 0.994 138 I CA -0.802 60.577 61.300 0.132 0.000 1.158 138 I CB 1.632 39.765 38.000 0.222 0.000 1.315 138 I HN 0.612 nan 8.210 nan 0.000 0.451 139 N N 3.806 122.549 118.700 0.072 0.000 2.409 139 N HA 0.017 4.757 4.740 0.000 0.000 0.179 139 N C 0.845 176.375 175.510 0.033 0.000 1.032 139 N CA 0.425 53.496 53.050 0.034 0.000 0.898 139 N CB 0.281 38.780 38.487 0.021 0.000 0.971 139 N HN 0.780 nan 8.380 nan 0.000 0.441 140 G N -0.368 108.483 108.800 0.085 0.000 3.134 140 G HA2 0.253 4.214 3.960 0.000 0.000 0.158 140 G HA3 0.253 4.214 3.960 0.000 0.000 0.158 140 G C -0.619 174.399 174.900 0.197 0.000 1.334 140 G CA -0.249 44.905 45.100 0.090 0.000 1.001 140 G HN -0.057 nan 8.290 nan 0.000 0.600 141 D N -0.659 119.870 120.400 0.215 0.000 2.326 141 D HA 0.452 5.092 4.640 0.000 0.000 0.248 141 D C -0.795 175.696 176.300 0.319 0.000 1.001 141 D CA -0.342 53.846 54.000 0.313 0.000 0.961 141 D CB 2.428 43.325 40.800 0.162 0.000 1.183 141 D HN 0.161 nan 8.370 nan 0.000 0.502 142 L N 1.215 122.612 121.223 0.289 0.000 2.264 142 L HA 0.378 4.718 4.340 0.000 0.000 0.289 142 L C -1.233 175.663 176.870 0.044 0.000 1.044 142 L CA -0.391 54.442 54.840 -0.012 0.000 0.807 142 L CB 1.160 43.076 42.059 -0.239 0.000 1.192 142 L HN 0.050 nan 8.230 nan 0.000 0.425 143 V N 6.590 126.519 119.914 0.024 0.000 2.487 143 V HA 0.440 4.561 4.120 0.000 0.000 0.298 143 V C -0.003 176.117 176.094 0.043 0.000 1.028 143 V CA -0.648 61.677 62.300 0.042 0.000 0.860 143 V CB 1.672 33.517 31.823 0.038 0.000 0.991 143 V HN 0.617 nan 8.190 nan 0.000 0.427 144 L N 3.696 124.964 121.223 0.074 0.000 2.325 144 L HA 0.578 4.919 4.340 0.000 0.000 0.279 144 L C -0.392 176.536 176.870 0.097 0.000 1.054 144 L CA -0.364 54.549 54.840 0.121 0.000 0.804 144 L CB 1.597 43.763 42.059 0.177 0.000 1.200 144 L HN 0.579 nan 8.230 nan 0.000 0.436 145 D N 1.570 122.027 120.400 0.094 0.000 2.441 145 D HA 0.177 4.817 4.640 0.000 0.000 0.231 145 D C 0.393 176.745 176.300 0.086 0.000 1.073 145 D CA -0.270 53.768 54.000 0.064 0.000 0.850 145 D CB 1.433 42.247 40.800 0.023 0.000 1.062 145 D HN 0.603 nan 8.370 nan 0.000 0.524 146 T N -0.425 114.174 114.554 0.075 0.000 3.215 146 T HA 0.061 4.411 4.350 0.000 0.000 0.271 146 T C 1.471 176.175 174.700 0.007 0.000 1.012 146 T CA 0.050 62.177 62.100 0.044 0.000 0.899 146 T CB -0.195 68.713 68.868 0.066 0.000 1.089 146 T HN 0.173 nan 8.240 nan 0.000 0.552 147 S N 1.462 117.166 115.700 0.007 0.000 2.469 147 S HA -0.128 4.342 4.470 0.000 0.000 0.238 147 S C 2.066 176.676 174.600 0.017 0.000 0.998 147 S CA 0.847 59.066 58.200 0.033 0.000 0.957 147 S CB -1.030 62.203 63.200 0.055 0.000 0.764 147 S HN 0.698 nan 8.310 nan 0.000 0.514 148 V N -2.671 117.144 119.914 -0.165 0.000 2.759 148 V HA 0.226 4.347 4.120 0.000 0.000 0.256 148 V C 0.504 176.640 176.094 0.070 0.000 1.080 148 V CA 0.389 62.446 62.300 -0.404 0.000 1.101 148 V CB -1.221 29.982 31.823 -1.033 0.000 0.698 148 V HN 0.338 nan 8.190 nan 0.000 0.477 149 F N 1.671 121.602 119.950 -0.031 0.000 2.480 149 F HA 0.806 5.333 4.527 0.000 0.000 0.329 149 F C 0.451 176.285 175.800 0.058 0.000 1.091 149 F CA -1.275 56.747 58.000 0.037 0.000 0.972 149 F CB 1.674 40.703 39.000 0.049 0.000 1.150 149 F HN 0.260 nan 8.300 nan 0.000 0.467 150 S N 0.313 116.159 115.700 0.242 0.000 2.627 150 S HA 0.778 5.248 4.470 0.000 0.000 0.283 150 S C -0.178 174.475 174.600 0.088 0.000 1.127 150 S CA -0.213 58.071 58.200 0.140 0.000 0.863 150 S CB 1.940 65.206 63.200 0.110 0.000 1.121 150 S HN 0.977 nan 8.310 nan 0.000 0.479 151 S N 0.254 115.964 115.700 0.017 0.000 3.387 151 S HA -0.190 4.281 4.470 0.000 0.000 0.633 151 S C -0.303 174.266 174.600 -0.050 0.000 2.641 151 S CA 0.135 58.281 58.200 -0.090 0.000 2.931 151 S CB -2.045 61.123 63.200 -0.054 0.000 0.327 151 S HN 0.995 nan 8.310 nan 0.000 1.716 152 H N 1.415 120.496 119.070 0.020 0.000 2.690 152 H HA 0.176 4.732 4.556 0.000 0.000 0.365 152 H C 0.454 175.803 175.328 0.035 0.000 1.142 152 H CA 0.333 56.365 56.048 -0.028 0.000 1.417 152 H CB 0.175 29.842 29.762 -0.158 0.000 1.446 152 H HN 0.527 nan 8.280 nan 0.000 0.599 153 D N 1.726 122.220 120.400 0.156 0.000 2.358 153 D HA 0.092 4.732 4.640 0.000 0.000 0.224 153 D C 0.310 176.615 176.300 0.008 0.000 1.123 153 D CA 0.269 54.388 54.000 0.199 0.000 0.833 153 D CB 0.605 41.512 40.800 0.177 0.000 0.946 153 D HN 0.315 nan 8.370 nan 0.000 0.505 154 R N -0.458 119.769 120.500 -0.454 0.000 2.740 154 R HA 0.553 4.893 4.340 0.000 0.000 0.282 154 R C 0.405 175.456 176.300 -2.082 0.000 0.969 154 R CA -0.752 54.577 56.100 -1.286 0.000 0.918 154 R CB 2.061 31.905 30.300 -0.759 0.000 1.175 154 R HN -0.094 nan 8.270 nan 0.000 0.464 155 G N 2.429 109.263 108.800 -3.277 0.000 2.483 155 G HA2 0.224 4.184 3.960 0.000 0.000 0.248 155 G HA3 0.224 4.184 3.960 0.000 0.000 0.248 155 G C 0.071 174.125 174.900 -1.411 0.000 1.248 155 G CA -0.576 43.135 45.100 -2.315 0.000 0.838 155 G HN 0.342 nan 8.290 nan 0.000 0.566 156 L N 1.253 122.046 121.223 -0.716 0.000 2.439 156 L HA 0.368 4.708 4.340 0.000 0.000 0.269 156 L C 1.623 178.312 176.870 -0.302 0.000 1.179 156 L CA 0.897 55.503 54.840 -0.390 0.000 0.828 156 L CB 0.838 42.821 42.059 -0.127 0.000 1.106 156 L HN 0.972 nan 8.230 nan 0.000 0.467 157 G N 0.812 109.400 108.800 -0.355 0.000 2.176 157 G HA2 -0.220 3.740 3.960 0.000 0.000 0.253 157 G HA3 -0.220 3.740 3.960 0.000 0.000 0.253 157 G C -0.241 174.578 174.900 -0.135 0.000 0.979 157 G CA -0.525 44.194 45.100 -0.635 0.000 0.641 157 G HN 0.479 nan 8.290 nan 0.000 0.530 158 W N 0.668 121.796 121.300 -0.288 0.000 2.170 158 W HA 0.652 5.312 4.660 0.000 0.000 0.336 158 W C 1.063 177.489 176.519 -0.154 0.000 1.283 158 W CA -1.415 55.803 57.345 -0.212 0.000 1.224 158 W CB 0.025 29.358 29.460 -0.212 0.000 1.132 158 W HN 0.104 nan 8.180 nan 0.000 0.571 159 I N 4.934 125.546 120.570 0.070 0.000 2.529 159 I HA -0.075 4.095 4.170 0.000 0.000 0.284 159 I C 1.607 177.726 176.117 0.003 0.000 1.082 159 I CA -0.411 60.897 61.300 0.013 0.000 1.406 159 I CB 0.773 38.729 38.000 -0.073 0.000 1.405 159 I HN 0.661 nan 8.210 nan 0.000 0.548 160 W N 6.940 128.228 121.300 -0.021 0.000 2.402 160 W HA -0.140 4.520 4.660 0.000 0.000 0.286 160 W C 1.358 177.858 176.519 -0.033 0.000 1.221 160 W CA 1.137 58.463 57.345 -0.032 0.000 1.257 160 W CB -0.821 28.612 29.460 -0.046 0.000 1.120 160 W HN 0.683 nan 8.180 nan 0.000 0.551 161 N N 0.758 118.641 118.700 -1.361 0.000 2.463 161 N HA -0.137 4.603 4.740 0.000 0.000 0.181 161 N C 0.544 175.683 175.510 -0.619 0.000 1.078 161 N CA 0.873 52.973 53.050 -1.584 0.000 0.902 161 N CB -0.803 36.678 38.487 -1.678 0.000 0.970 161 N HN 0.071 nan 8.380 nan 0.000 0.451 162 D N 0.776 120.941 120.400 -0.391 0.000 2.349 162 D HA 0.129 4.769 4.640 0.000 0.000 0.215 162 D C 1.769 177.897 176.300 -0.286 0.000 1.016 162 D CA -0.021 53.828 54.000 -0.251 0.000 0.870 162 D CB 0.253 40.955 40.800 -0.164 0.000 0.917 162 D HN 0.285 nan 8.370 nan 0.000 0.524 163 L N 0.761 121.869 121.223 -0.192 0.000 2.456 163 L HA -0.067 4.273 4.340 0.000 0.000 0.224 163 L C 2.135 178.944 176.870 -0.101 0.000 1.148 163 L CA 1.011 55.783 54.840 -0.113 0.000 0.825 163 L CB -0.412 41.652 42.059 0.008 0.000 0.937 163 L HN 0.073 nan 8.230 nan 0.000 0.450 164 T N -4.261 110.234 114.554 -0.098 0.000 3.081 164 T HA 0.165 4.516 4.350 0.000 0.000 0.250 164 T C 0.776 175.472 174.700 -0.006 0.000 1.100 164 T CA -0.073 62.008 62.100 -0.032 0.000 1.038 164 T CB 0.015 68.856 68.868 -0.044 0.000 0.962 164 T HN 0.037 nan 8.240 nan 0.000 0.516 165 M N 0.855 120.377 119.600 -0.131 0.000 2.249 165 M HA 0.308 4.788 4.480 0.000 0.000 0.351 165 M C 1.693 177.845 176.300 -0.248 0.000 1.180 165 M CA -0.747 54.471 55.300 -0.137 0.000 1.127 165 M CB 1.181 33.716 32.600 -0.108 0.000 1.546 165 M HN 0.264 nan 8.290 nan 0.000 0.461 166 c N 3.909 122.425 118.600 -0.140 0.000 2.413 166 c HA -0.208 4.362 4.570 0.000 0.000 0.277 166 c C 2.589 176.593 174.090 -0.145 0.000 1.265 166 c CA 1.421 57.667 56.329 -0.139 0.000 1.752 166 c CB -1.065 41.379 42.510 -0.110 0.000 1.998 166 c HN 0.955 nan 8.230 nan 0.000 0.489 167 F N 1.716 121.599 119.950 -0.112 0.000 2.250 167 F HA 0.032 4.559 4.527 0.000 0.000 0.301 167 F C 1.519 177.231 175.800 -0.147 0.000 1.077 167 F CA 1.672 59.598 58.000 -0.124 0.000 1.348 167 F CB -0.975 37.942 39.000 -0.138 0.000 1.040 167 F HN 0.212 nan 8.300 nan 0.000 0.509 168 N N 0.514 118.590 118.700 -1.039 0.000 2.321 168 N HA 0.126 4.866 4.740 0.000 0.000 0.242 168 N C -0.681 174.614 175.510 -0.359 0.000 1.141 168 N CA -0.090 52.448 53.050 -0.854 0.000 0.864 168 N CB -0.086 37.687 38.487 -1.191 0.000 1.100 168 N HN 0.150 nan 8.380 nan 0.000 0.510 169 S N 1.507 117.076 115.700 -0.217 0.000 2.584 169 S HA 0.243 4.713 4.470 0.000 0.000 0.270 169 S C -2.423 172.200 174.600 0.038 0.000 1.346 169 S CA -0.577 57.578 58.200 -0.074 0.000 1.018 169 S CB 0.650 63.819 63.200 -0.050 0.000 0.899 169 S HN 0.285 nan 8.310 nan 0.000 0.542 170 P HA 0.236 nan 4.420 nan 0.000 0.281 170 P C -2.520 174.889 177.300 0.183 0.000 1.252 170 P CA -1.897 61.310 63.100 0.177 0.000 0.778 170 P CB -0.019 31.758 31.700 0.128 0.000 0.895 171 P HA 0.159 nan 4.420 nan 0.000 0.220 171 P C -0.200 177.277 177.300 0.294 0.000 1.806 171 P CA 0.048 63.296 63.100 0.247 0.000 0.976 171 P CB -0.247 31.623 31.700 0.283 0.000 1.952 172 A N 1.542 124.517 122.820 0.257 0.000 2.246 172 A HA 0.603 4.923 4.320 0.000 0.000 0.291 172 A C 1.754 179.535 177.584 0.329 0.000 1.103 172 A CA 0.076 52.302 52.037 0.314 0.000 0.844 172 A CB 0.198 19.293 19.000 0.158 0.000 1.136 172 A HN 0.259 nan 8.150 nan 0.000 0.500 173 A N 0.008 122.986 122.820 0.262 0.000 1.877 173 A HA 0.305 4.625 4.320 0.000 0.000 0.216 173 A C 1.488 179.034 177.584 -0.063 0.000 1.186 173 A CA 1.726 53.711 52.037 -0.087 0.000 0.620 173 A CB -0.992 17.923 19.000 -0.142 0.000 0.822 173 A HN 1.913 nan 8.150 nan 0.000 0.443 174 A N 0.404 123.113 122.820 -0.185 0.000 2.347 174 A HA 0.509 4.829 4.320 0.000 0.000 0.287 174 A C -0.119 177.320 177.584 -0.242 0.000 1.199 174 A CA -0.323 51.377 52.037 -0.563 0.000 0.851 174 A CB -0.206 18.274 19.000 -0.867 0.000 1.118 174 A HN 0.370 nan 8.150 nan 0.000 0.525 175 N N 2.976 121.590 118.700 -0.144 0.000 2.558 175 N HA 0.420 5.160 4.740 0.000 0.000 0.285 175 N C -1.721 173.821 175.510 0.054 0.000 1.112 175 N CA -0.265 52.780 53.050 -0.008 0.000 0.857 175 N CB 0.772 39.267 38.487 0.014 0.000 1.376 175 N HN 0.500 nan 8.380 nan 0.000 0.526 176 I N 1.815 122.456 120.570 0.120 0.000 2.436 176 I HA 0.236 4.407 4.170 0.000 0.000 0.289 176 I C -0.237 176.015 176.117 0.225 0.000 1.010 176 I CA -0.624 60.783 61.300 0.178 0.000 1.098 176 I CB 1.466 39.590 38.000 0.207 0.000 1.266 176 I HN 0.368 nan 8.210 nan 0.000 0.434 177 D N 5.888 126.391 120.400 0.172 0.000 2.704 177 D HA -0.224 4.416 4.640 0.000 0.000 0.232 177 D C 0.169 176.550 176.300 0.135 0.000 1.183 177 D CA 0.822 54.922 54.000 0.166 0.000 0.647 177 D CB -0.928 40.017 40.800 0.242 0.000 1.013 177 D HN 0.788 nan 8.370 nan 0.000 0.415 178 N N -0.402 118.354 118.700 0.094 0.000 2.741 178 N HA -0.259 4.481 4.740 0.000 0.000 0.251 178 N C -0.219 175.315 175.510 0.040 0.000 1.112 178 N CA 1.114 54.197 53.050 0.056 0.000 0.750 178 N CB -1.158 37.353 38.487 0.041 0.000 1.119 178 N HN 0.462 nan 8.380 nan 0.000 0.561 179 N N -1.354 117.382 118.700 0.059 0.000 2.727 179 N HA -0.199 4.541 4.740 0.000 0.000 0.249 179 N C -0.513 174.967 175.510 -0.050 0.000 1.048 179 N CA 1.382 54.426 53.050 -0.010 0.000 0.714 179 N CB -1.571 36.911 38.487 -0.009 0.000 0.959 179 N HN 0.693 nan 8.380 nan 0.000 0.544 180 c N 0.791 119.381 118.600 -0.017 0.000 2.712 180 c HA 0.893 5.464 4.570 0.000 0.000 0.308 180 c C -0.713 173.327 174.090 -0.082 0.000 1.201 180 c CA -0.795 55.473 56.329 -0.102 0.000 1.554 180 c CB 0.702 43.169 42.510 -0.072 0.000 2.117 180 c HN 0.323 nan 8.230 nan 0.000 0.480 181 F N 2.794 122.536 119.950 -0.346 0.000 2.643 181 F HA 0.739 5.266 4.527 0.000 0.000 0.314 181 F C -1.540 173.957 175.800 -0.505 0.000 1.096 181 F CA -1.177 56.349 58.000 -0.790 0.000 0.953 181 F CB 1.034 39.160 39.000 -1.457 0.000 1.345 181 F HN 0.635 nan 8.300 nan 0.000 0.468 182 Y N 1.324 121.339 120.300 -0.475 0.000 2.468 182 Y HA 0.851 5.401 4.550 0.000 0.000 0.342 182 Y C -0.989 174.882 175.900 -0.049 0.000 1.021 182 Y CA -0.893 57.044 58.100 -0.271 0.000 1.079 182 Y CB 1.724 40.141 38.460 -0.072 0.000 1.226 182 Y HN 1.116 nan 8.280 nan 0.000 0.460 183 A N 4.210 126.476 122.820 -0.923 0.000 2.569 183 A HA 0.658 4.978 4.320 0.000 0.000 0.290 183 A C -1.681 175.334 177.584 -0.948 0.000 1.136 183 A CA -0.861 50.835 52.037 -0.568 0.000 0.710 183 A CB 1.895 20.763 19.000 -0.219 0.000 1.303 183 A HN 0.744 nan 8.150 nan 0.000 0.413 184 E N 0.605 120.557 120.200 -0.413 0.000 2.293 184 E HA 0.635 4.986 4.350 0.000 0.000 0.270 184 E C -1.820 174.734 176.600 -0.076 0.000 0.879 184 E CA -0.535 55.703 56.400 -0.270 0.000 0.756 184 E CB 1.505 31.167 29.700 -0.063 0.000 1.208 184 E HN 0.600 nan 8.360 nan 0.000 0.428 185 L N 3.134 124.362 121.223 0.008 0.000 2.296 185 L HA 0.349 4.689 4.340 0.000 0.000 0.286 185 L C -0.490 176.409 176.870 0.048 0.000 1.023 185 L CA -0.943 53.920 54.840 0.039 0.000 0.812 185 L CB 1.535 43.626 42.059 0.053 0.000 1.223 185 L HN 0.531 nan 8.230 nan 0.000 0.421 186 D N 2.961 123.373 120.400 0.020 0.000 2.396 186 D HA 0.404 5.044 4.640 0.000 0.000 0.225 186 D C 0.129 176.413 176.300 -0.026 0.000 1.121 186 D CA -0.234 53.771 54.000 0.009 0.000 0.853 186 D CB 1.856 42.664 40.800 0.014 0.000 1.043 186 D HN 0.576 nan 8.370 nan 0.000 0.500 187 A N 4.146 126.932 122.820 -0.056 0.000 2.594 187 A HA 0.110 4.430 4.320 0.000 0.000 0.287 187 A C 0.725 178.219 177.584 -0.150 0.000 1.227 187 A CA -0.532 51.439 52.037 -0.110 0.000 0.952 187 A CB -0.234 18.656 19.000 -0.184 0.000 1.161 187 A HN 0.422 nan 8.150 nan 0.000 0.524 188 N N 1.595 120.219 118.700 -0.127 0.000 3.188 188 N HA 0.211 4.952 4.740 0.000 0.000 0.279 188 N C -0.655 174.784 175.510 -0.119 0.000 1.213 188 N CA 0.445 53.383 53.050 -0.186 0.000 1.138 188 N CB -0.294 38.118 38.487 -0.125 0.000 1.417 188 N HN 0.445 nan 8.380 nan 0.000 0.526 189 K N 0.353 120.685 120.400 -0.114 0.000 2.522 189 K HA 0.366 4.686 4.320 0.000 0.000 0.275 189 K C -0.712 175.861 176.600 -0.045 0.000 1.006 189 K CA -0.918 55.336 56.287 -0.055 0.000 0.890 189 K CB 1.095 33.577 32.500 -0.031 0.000 1.475 189 K HN 0.098 nan 8.250 nan 0.000 0.441 190 N N 1.781 120.475 118.700 -0.010 0.000 2.453 190 N HA 0.163 4.903 4.740 0.000 0.000 0.253 190 N C -2.576 172.944 175.510 0.017 0.000 1.252 190 N CA -1.320 51.735 53.050 0.008 0.000 0.917 190 N CB -0.037 38.461 38.487 0.018 0.000 1.117 190 N HN 0.224 nan 8.380 nan 0.000 0.442 191 P HA -0.034 nan 4.420 nan 0.000 0.263 191 P C 0.839 178.173 177.300 0.056 0.000 1.168 191 P CA 1.118 64.251 63.100 0.055 0.000 0.759 191 P CB 0.254 31.987 31.700 0.056 0.000 0.782 192 G N 1.406 110.259 108.800 0.088 0.000 2.258 192 G HA2 -0.189 3.771 3.960 0.000 0.000 0.233 192 G HA3 -0.189 3.771 3.960 0.000 0.000 0.233 192 G C 0.179 175.105 174.900 0.044 0.000 1.006 192 G CA -0.320 44.802 45.100 0.036 0.000 0.620 192 G HN 0.510 nan 8.290 nan 0.000 0.511 193 E N 0.685 120.917 120.200 0.055 0.000 2.349 193 E HA 0.471 4.821 4.350 0.000 0.000 0.262 193 E C 0.614 177.258 176.600 0.073 0.000 1.088 193 E CA -0.592 55.835 56.400 0.044 0.000 0.899 193 E CB 0.908 30.623 29.700 0.024 0.000 1.044 193 E HN 0.229 nan 8.360 nan 0.000 0.420 194 I N 2.009 122.615 120.570 0.060 0.000 2.416 194 I HA 0.045 4.215 4.170 0.000 0.000 0.288 194 I C 0.425 176.565 176.117 0.038 0.000 1.051 194 I CA -0.568 60.774 61.300 0.070 0.000 1.375 194 I CB 0.537 38.575 38.000 0.063 0.000 1.407 194 I HN 0.120 nan 8.210 nan 0.000 0.516 195 V N 6.621 126.548 119.914 0.022 0.000 2.599 195 V HA -0.018 4.103 4.120 0.000 0.000 0.300 195 V C 0.582 176.684 176.094 0.012 0.000 1.034 195 V CA -0.240 62.056 62.300 -0.007 0.000 1.115 195 V CB 0.526 32.319 31.823 -0.050 0.000 0.934 195 V HN 0.651 nan 8.190 nan 0.000 0.485 196 K N 5.354 125.761 120.400 0.013 0.000 2.201 196 K HA 0.510 4.830 4.320 0.000 0.000 0.278 196 K C -0.838 175.781 176.600 0.031 0.000 1.027 196 K CA -0.094 56.210 56.287 0.028 0.000 0.909 196 K CB 0.731 33.247 32.500 0.027 0.000 1.062 196 K HN 0.557 nan 8.250 nan 0.000 0.465 197 I N 4.115 124.713 120.570 0.048 0.000 2.336 197 I HA 0.272 4.442 4.170 0.000 0.000 0.292 197 I C -0.574 175.579 176.117 0.060 0.000 0.991 197 I CA -0.660 60.672 61.300 0.054 0.000 1.227 197 I CB 1.527 39.576 38.000 0.082 0.000 1.366 197 I HN 0.638 nan 8.210 nan 0.000 0.466 198 N N 5.408 124.136 118.700 0.047 0.000 2.524 198 N HA 0.445 5.185 4.740 0.000 0.000 0.261 198 N C -1.281 174.276 175.510 0.078 0.000 0.998 198 N CA -0.492 52.595 53.050 0.062 0.000 0.915 198 N CB 2.185 40.707 38.487 0.059 0.000 1.187 198 N HN 0.170 nan 8.380 nan 0.000 0.507 199 V N 3.079 123.064 119.914 0.118 0.000 2.398 199 V HA 0.454 4.574 4.120 0.000 0.000 0.286 199 V C -1.858 174.363 176.094 0.212 0.000 1.026 199 V CA -1.672 60.739 62.300 0.185 0.000 0.868 199 V CB 1.317 33.252 31.823 0.185 0.000 0.982 199 V HN 0.537 nan 8.190 nan 0.000 0.443 200 P HA 0.161 nan 4.420 nan 0.000 0.268 200 P C 0.618 177.958 177.300 0.067 0.000 1.208 200 P CA -0.079 63.124 63.100 0.171 0.000 0.777 200 P CB 0.785 32.597 31.700 0.187 0.000 0.875 201 A N 2.472 125.281 122.820 -0.018 0.000 2.066 201 A HA -0.156 4.164 4.320 0.000 0.000 0.218 201 A C 1.845 179.375 177.584 -0.091 0.000 1.157 201 A CA 0.928 52.950 52.037 -0.025 0.000 0.670 201 A CB -0.793 18.191 19.000 -0.026 0.000 0.804 201 A HN 0.690 nan 8.150 nan 0.000 0.453 202 Q N -0.799 118.858 119.800 -0.239 0.000 2.364 202 Q HA -0.052 4.288 4.340 0.000 0.000 0.207 202 Q C -0.569 175.262 176.000 -0.282 0.000 0.970 202 Q CA 0.504 56.117 55.803 -0.318 0.000 0.888 202 Q CB -0.518 27.942 28.738 -0.465 0.000 0.951 202 Q HN 0.488 nan 8.270 nan 0.000 0.469 203 F N 4.008 123.963 119.950 0.010 0.000 2.424 203 F HA 0.309 4.836 4.527 0.000 0.000 0.356 203 F C -1.796 173.975 175.800 -0.049 0.000 1.110 203 F CA -3.030 54.965 58.000 -0.007 0.000 1.161 203 F CB 0.932 39.908 39.000 -0.040 0.000 1.115 203 F HN -0.034 nan 8.300 nan 0.000 0.507 204 P HA 0.185 nan 4.420 nan 0.000 0.220 204 P C -0.801 176.570 177.300 0.117 0.000 1.806 204 P CA 0.190 63.330 63.100 0.067 0.000 0.976 204 P CB -0.312 31.376 31.700 -0.019 0.000 1.952 205 I N -3.064 117.538 120.570 0.053 0.000 3.174 205 I HA 0.602 4.772 4.170 0.000 0.000 0.313 205 I C -0.964 175.190 176.117 0.061 0.000 1.155 205 I CA -1.434 59.873 61.300 0.012 0.000 0.977 205 I CB 2.032 39.814 38.000 -0.363 0.000 1.248 205 I HN -0.175 nan 8.210 nan 0.000 0.453 206 Q N 1.374 121.277 119.800 0.173 0.000 2.356 206 Q HA 0.792 5.132 4.340 0.000 0.000 0.270 206 Q C -1.663 174.551 176.000 0.357 0.000 1.058 206 Q CA -1.072 54.861 55.803 0.216 0.000 0.802 206 Q CB 3.148 32.004 28.738 0.197 0.000 1.303 206 Q HN 0.608 nan 8.270 nan 0.000 0.444 207 V N 3.889 123.993 119.914 0.316 0.000 2.487 207 V HA 0.629 4.749 4.120 0.000 0.000 0.298 207 V C -0.797 175.498 176.094 0.335 0.000 1.028 207 V CA -0.625 61.877 62.300 0.336 0.000 0.860 207 V CB 0.709 32.706 31.823 0.289 0.000 0.991 207 V HN 0.689 nan 8.190 nan 0.000 0.427 208 F N 1.810 121.835 119.950 0.125 0.000 2.650 208 F HA 1.070 5.597 4.527 0.000 0.000 0.320 208 F C 0.116 175.961 175.800 0.075 0.000 1.091 208 F CA -0.447 57.598 58.000 0.074 0.000 0.962 208 F CB 2.094 41.112 39.000 0.030 0.000 1.363 208 F HN 0.933 nan 8.300 nan 0.000 0.482 209 G N 0.886 109.751 108.800 0.108 0.000 2.359 209 G HA2 0.336 4.296 3.960 0.000 0.000 0.314 209 G HA3 0.336 4.296 3.960 0.000 0.000 0.314 209 G C -2.427 172.513 174.900 0.066 0.000 1.364 209 G CA -1.108 43.989 45.100 -0.005 0.000 0.978 209 G HN 0.719 nan 8.290 nan 0.000 0.615 210 Q N 0.395 120.233 119.800 0.064 0.000 2.571 210 Q HA 0.476 4.816 4.340 0.000 0.000 0.243 210 Q C -0.199 175.858 176.000 0.095 0.000 1.055 210 Q CA -0.438 55.416 55.803 0.085 0.000 0.815 210 Q CB 1.836 30.635 28.738 0.102 0.000 1.151 210 Q HN 0.471 nan 8.270 nan 0.000 0.519 211 V N 3.477 123.418 119.914 0.046 0.000 2.509 211 V HA 0.369 4.489 4.120 0.000 0.000 0.284 211 V C -0.357 175.754 176.094 0.027 0.000 1.047 211 V CA -0.587 61.700 62.300 -0.021 0.000 0.952 211 V CB 0.444 32.217 31.823 -0.083 0.000 0.988 211 V HN 0.552 nan 8.190 nan 0.000 0.469 212 Y N 2.342 122.622 120.300 -0.033 0.000 2.509 212 Y HA 0.817 5.368 4.550 0.000 0.000 0.341 212 Y C -0.371 175.500 175.900 -0.049 0.000 1.038 212 Y CA -1.583 56.498 58.100 -0.033 0.000 1.089 212 Y CB 0.995 39.445 38.460 -0.017 0.000 1.241 212 Y HN 0.263 nan 8.280 nan 0.000 0.468 213 V N 2.989 122.967 119.914 0.106 0.000 2.555 213 V HA 0.518 4.638 4.120 0.000 0.000 0.286 213 V C 0.470 176.650 176.094 0.143 0.000 1.044 213 V CA -0.059 62.253 62.300 0.020 0.000 1.026 213 V CB 0.351 32.177 31.823 0.006 0.000 0.981 213 V HN 1.004 nan 8.190 nan 0.000 0.480 214 A N 3.962 126.810 122.820 0.046 0.000 2.312 214 A HA 0.677 4.997 4.320 0.000 0.000 0.328 214 A C -0.103 177.530 177.584 0.081 0.000 1.158 214 A CA -0.764 51.348 52.037 0.125 0.000 0.821 214 A CB 0.718 19.753 19.000 0.058 0.000 1.170 214 A HN 0.968 nan 8.150 nan 0.000 0.490 215 D N 0.523 120.983 120.400 0.099 0.000 2.371 215 D HA 0.146 4.786 4.640 0.000 0.000 0.242 215 D C 1.298 177.639 176.300 0.070 0.000 1.218 215 D CA 0.301 54.346 54.000 0.075 0.000 0.945 215 D CB 0.364 41.206 40.800 0.070 0.000 1.137 215 D HN 0.399 nan 8.370 nan 0.000 0.464 216 S N 0.243 115.980 115.700 0.061 0.000 2.419 216 S HA -0.206 4.264 4.470 0.000 0.000 0.233 216 S C 1.342 175.976 174.600 0.057 0.000 1.016 216 S CA 0.640 58.870 58.200 0.051 0.000 0.974 216 S CB -0.485 62.742 63.200 0.046 0.000 0.786 216 S HN 0.484 nan 8.310 nan 0.000 0.492 217 N N 1.780 120.528 118.700 0.079 0.000 2.173 217 N HA -0.040 4.700 4.740 0.000 0.000 0.184 217 N C 1.823 177.447 175.510 0.190 0.000 1.025 217 N CA 1.492 54.611 53.050 0.114 0.000 0.852 217 N CB -0.459 38.093 38.487 0.109 0.000 0.998 217 N HN 0.770 nan 8.380 nan 0.000 0.427 218 E N 0.867 121.176 120.200 0.181 0.000 2.152 218 E HA -0.003 4.348 4.350 0.000 0.000 0.192 218 E C 1.796 178.523 176.600 0.210 0.000 0.983 218 E CA 0.646 57.201 56.400 0.259 0.000 0.818 218 E CB 0.012 29.831 29.700 0.198 0.000 0.758 218 E HN 0.244 nan 8.360 nan 0.000 0.467 219 A N 1.778 124.654 122.820 0.093 0.000 1.927 219 A HA -0.165 4.155 4.320 0.000 0.000 0.220 219 A C -0.234 177.325 177.584 -0.041 0.000 1.185 219 A CA 1.664 53.711 52.037 0.017 0.000 0.639 219 A CB -1.624 17.374 19.000 -0.003 0.000 0.820 219 A HN 0.357 nan 8.150 nan 0.000 0.451 220 P HA -0.108 nan 4.420 nan 0.000 0.222 220 P C 0.471 177.572 177.300 -0.332 0.000 1.147 220 P CA 0.932 63.870 63.100 -0.271 0.000 0.790 220 P CB -0.157 31.285 31.700 -0.429 0.000 0.780 221 Y N -2.035 118.268 120.300 0.005 0.000 2.511 221 Y HA 0.059 4.609 4.550 0.000 0.000 0.279 221 Y C 1.537 177.435 175.900 -0.004 0.000 1.157 221 Y CA -0.594 57.511 58.100 0.008 0.000 1.300 221 Y CB -1.069 37.403 38.460 0.020 0.000 1.052 221 Y HN -0.107 nan 8.280 nan 0.000 0.529 222 c N 1.725 120.370 118.600 0.075 0.000 2.656 222 c HA 0.270 4.840 4.570 0.000 0.000 0.391 222 c C 0.205 174.287 174.090 -0.014 0.000 1.300 222 c CA -0.476 55.854 56.329 0.001 0.000 2.302 222 c CB 0.170 42.631 42.510 -0.082 0.000 2.655 222 c HN 0.310 nan 8.230 nan 0.000 0.656 223 Q N 1.185 120.966 119.800 -0.032 0.000 2.331 223 Q HA 0.513 4.853 4.340 0.000 0.000 0.272 223 Q C -1.253 174.715 176.000 -0.053 0.000 1.062 223 Q CA -0.619 55.171 55.803 -0.021 0.000 0.806 223 Q CB 2.201 30.947 28.738 0.013 0.000 1.312 223 Q HN 0.630 nan 8.270 nan 0.000 0.431 224 L N 2.977 124.172 121.223 -0.047 0.000 2.262 224 L HA 0.461 4.801 4.340 0.000 0.000 0.288 224 L C -0.977 175.900 176.870 0.011 0.000 1.035 224 L CA 0.130 54.940 54.840 -0.050 0.000 0.820 224 L CB 0.719 42.731 42.059 -0.079 0.000 1.204 224 L HN 0.380 nan 8.230 nan 0.000 0.424 225 D N 2.997 123.407 120.400 0.016 0.000 2.340 225 D HA 0.539 5.179 4.640 0.000 0.000 0.243 225 D C -1.090 175.241 176.300 0.051 0.000 0.988 225 D CA -0.175 53.851 54.000 0.044 0.000 0.959 225 D CB 2.740 43.569 40.800 0.049 0.000 1.226 225 D HN 0.323 nan 8.370 nan 0.000 0.509 226 V N 0.705 120.648 119.914 0.049 0.000 2.735 226 V HA 0.574 4.694 4.120 0.000 0.000 0.310 226 V C -1.247 174.848 176.094 0.001 0.000 1.061 226 V CA -0.440 61.859 62.300 -0.000 0.000 0.913 226 V CB 2.020 33.794 31.823 -0.081 0.000 1.005 226 V HN 0.285 nan 8.190 nan 0.000 0.428 227 V N 6.378 126.274 119.914 -0.030 0.000 2.540 227 V HA 0.487 4.607 4.120 0.000 0.000 0.302 227 V C -0.258 175.765 176.094 -0.117 0.000 1.035 227 V CA -0.640 61.628 62.300 -0.053 0.000 0.873 227 V CB 1.983 33.779 31.823 -0.044 0.000 0.992 227 V HN 0.685 nan 8.190 nan 0.000 0.428 228 V N 5.358 125.151 119.914 -0.201 0.000 2.465 228 V HA 0.418 4.538 4.120 0.000 0.000 0.279 228 V C 0.060 175.961 176.094 -0.322 0.000 1.045 228 V CA -0.341 61.785 62.300 -0.289 0.000 0.938 228 V CB 0.800 32.463 31.823 -0.267 0.000 0.986 228 V HN 0.815 nan 8.190 nan 0.000 0.467 229 H N 1.740 120.723 119.070 -0.145 0.000 2.693 229 H HA 0.378 4.934 4.556 0.000 0.000 0.348 229 H C -0.854 174.426 175.328 -0.079 0.000 1.222 229 H CA -1.056 54.965 56.048 -0.045 0.000 1.270 229 H CB 1.574 31.386 29.762 0.084 0.000 1.798 229 H HN 0.570 nan 8.280 nan 0.000 0.592 230 D N 1.062 121.514 120.400 0.086 0.000 2.449 230 D HA -0.068 4.572 4.640 0.000 0.000 0.236 230 D C 0.448 176.765 176.300 0.027 0.000 1.149 230 D CA 0.472 54.489 54.000 0.028 0.000 0.878 230 D CB 0.213 41.032 40.800 0.031 0.000 1.198 230 D HN 0.450 nan 8.370 nan 0.000 0.446 231 N N 1.620 120.329 118.700 0.015 0.000 2.758 231 N HA -0.253 4.487 4.740 0.000 0.000 0.248 231 N C -0.886 174.654 175.510 0.049 0.000 1.076 231 N CA 0.761 53.834 53.050 0.037 0.000 0.696 231 N CB -1.767 36.744 38.487 0.040 0.000 0.979 231 N HN 0.669 nan 8.380 nan 0.000 0.550 232 N N -1.135 117.567 118.700 0.002 0.000 2.738 232 N HA -0.244 4.496 4.740 0.000 0.000 0.249 232 N C -0.803 174.777 175.510 0.117 0.000 1.047 232 N CA 0.706 53.778 53.050 0.036 0.000 0.707 232 N CB -0.517 38.093 38.487 0.205 0.000 0.937 232 N HN 0.436 nan 8.380 nan 0.000 0.545 233 R N 1.149 121.656 120.500 0.011 0.000 2.343 233 R HA 0.364 4.704 4.340 0.000 0.000 0.320 233 R C -1.080 175.332 176.300 0.187 0.000 0.956 233 R CA -0.437 55.802 56.100 0.233 0.000 0.836 233 R CB 0.893 31.320 30.300 0.211 0.000 1.151 233 R HN 0.171 nan 8.270 nan 0.000 0.450 234 Y N 1.492 121.926 120.300 0.225 0.000 2.328 234 Y HA 0.194 4.744 4.550 0.000 0.000 0.337 234 Y C 0.299 176.034 175.900 -0.274 0.000 0.966 234 Y CA -0.646 57.452 58.100 -0.003 0.000 1.136 234 Y CB 1.856 40.234 38.460 -0.138 0.000 1.170 234 Y HN 0.356 nan 8.280 nan 0.000 0.470 235 Q N 4.165 123.793 119.800 -0.287 0.000 2.303 235 Q HA 0.515 4.855 4.340 0.000 0.000 0.257 235 Q C -1.057 174.764 176.000 -0.298 0.000 0.941 235 Q CA -0.921 54.409 55.803 -0.789 0.000 0.931 235 Q CB 1.247 29.606 28.738 -0.631 0.000 1.215 235 Q HN 0.686 nan 8.270 nan 0.000 0.437 236 V N 1.386 121.161 119.914 -0.233 0.000 2.567 236 V HA 0.652 4.772 4.120 0.000 0.000 0.289 236 V C -0.695 175.358 176.094 -0.068 0.000 1.049 236 V CA -0.546 61.718 62.300 -0.060 0.000 0.969 236 V CB 1.271 33.114 31.823 0.032 0.000 0.995 236 V HN 0.761 nan 8.190 nan 0.000 0.471 237 K N 2.568 122.948 120.400 -0.032 0.000 2.508 237 K HA 0.827 5.148 4.320 0.000 0.000 0.260 237 K C 0.064 176.639 176.600 -0.041 0.000 0.949 237 K CA -0.221 56.054 56.287 -0.020 0.000 0.834 237 K CB 2.308 34.811 32.500 0.005 0.000 1.365 237 K HN 1.463 nan 8.250 nan 0.000 0.437 238 G N 0.158 108.922 108.800 -0.060 0.000 2.384 238 G HA2 -0.054 3.906 3.960 0.000 0.000 0.200 238 G HA3 -0.054 3.906 3.960 0.000 0.000 0.200 238 G C -1.025 173.633 174.900 -0.404 0.000 1.205 238 G CA -0.527 44.486 45.100 -0.143 0.000 1.116 238 G HN 1.192 nan 8.290 nan 0.000 0.547 239 c N -1.043 117.288 118.600 -0.447 0.000 3.318 239 c HA 0.984 5.554 4.570 0.000 0.000 0.322 239 c C -0.399 173.465 174.090 -0.376 0.000 1.398 239 c CA -0.273 55.666 56.329 -0.649 0.000 1.339 239 c CB 0.827 42.616 42.510 -1.201 0.000 1.668 239 c HN 2.342 nan 8.230 nan 0.000 0.462 240 L N -0.973 120.046 121.223 -0.339 0.000 2.671 240 L HA 0.938 5.278 4.340 0.000 0.000 0.259 240 L C -0.189 176.566 176.870 -0.193 0.000 1.021 240 L CA -0.655 54.023 54.840 -0.270 0.000 0.871 240 L CB 1.197 43.020 42.059 -0.393 0.000 1.472 240 L HN 1.289 nan 8.230 nan 0.000 0.410 241 A N 1.272 124.011 122.820 -0.135 0.000 2.448 241 A HA 0.337 4.657 4.320 0.000 0.000 0.239 241 A C 0.367 177.887 177.584 -0.108 0.000 1.080 241 A CA -0.162 51.832 52.037 -0.072 0.000 0.779 241 A CB 0.200 19.189 19.000 -0.019 0.000 1.026 241 A HN 0.904 nan 8.150 nan 0.000 0.499 242 R N 0.558 121.004 120.500 -0.089 0.000 2.638 242 R HA 0.039 4.379 4.340 0.000 0.000 0.268 242 R C -0.466 175.650 176.300 -0.306 0.000 1.006 242 R CA 0.507 56.477 56.100 -0.216 0.000 1.088 242 R CB 0.229 30.388 30.300 -0.235 0.000 0.950 242 R HN 0.738 nan 8.270 nan 0.000 0.419 243 Q N 2.961 122.533 119.800 -0.379 0.000 2.257 243 Q HA 0.162 4.502 4.340 0.000 0.000 0.262 243 Q C -0.780 174.928 176.000 -0.488 0.000 0.997 243 Q CA -0.347 55.305 55.803 -0.252 0.000 0.873 243 Q CB 1.524 30.218 28.738 -0.074 0.000 1.312 243 Q HN 0.718 nan 8.270 nan 0.000 0.450 244 Y N -0.166 120.160 120.300 0.044 0.000 2.706 244 Y HA 0.310 4.860 4.550 0.000 0.000 0.255 244 Y C -0.333 175.590 175.900 0.039 0.000 1.163 244 Y CA -0.157 57.964 58.100 0.035 0.000 1.174 244 Y CB 1.004 39.479 38.460 0.025 0.000 1.200 244 Y HN 0.331 nan 8.280 nan 0.000 0.544 245 K N -0.969 119.502 120.400 0.119 0.000 2.607 245 K HA 0.433 4.753 4.320 0.000 0.000 0.287 245 K C -3.209 173.442 176.600 0.085 0.000 0.996 245 K CA -2.095 54.248 56.287 0.093 0.000 0.876 245 K CB 1.099 33.653 32.500 0.090 0.000 1.496 245 K HN -0.294 nan 8.250 nan 0.000 0.415 246 P HA 0.077 nan 4.420 nan 0.000 0.271 246 P C -1.272 176.105 177.300 0.127 0.000 1.216 246 P CA -0.143 63.016 63.100 0.097 0.000 0.776 246 P CB 0.257 32.013 31.700 0.094 0.000 0.881 247 F N 3.131 123.070 119.950 -0.018 0.000 2.335 247 F HA 0.468 4.995 4.527 0.000 0.000 0.365 247 F C 0.838 176.595 175.800 -0.072 0.000 1.122 247 F CA -0.166 57.810 58.000 -0.040 0.000 1.151 247 F CB 0.068 39.027 39.000 -0.069 0.000 1.282 247 F HN 0.295 nan 8.300 nan 0.000 0.513 248 G N 6.553 115.196 108.800 -0.262 0.000 2.483 248 G HA2 0.434 4.394 3.960 0.000 0.000 0.248 248 G HA3 0.434 4.394 3.960 0.000 0.000 0.248 248 G C -1.065 173.541 174.900 -0.490 0.000 1.248 248 G CA -0.583 44.384 45.100 -0.220 0.000 0.838 248 G HN 0.660 nan 8.290 nan 0.000 0.566 249 L N 1.065 121.865 121.223 -0.706 0.000 2.341 249 L HA 0.516 4.856 4.340 0.000 0.000 0.278 249 L C 0.198 176.533 176.870 -0.891 0.000 1.005 249 L CA -0.710 53.619 54.840 -0.851 0.000 0.818 249 L CB 2.260 43.636 42.059 -1.138 0.000 1.259 249 L HN 0.496 nan 8.230 nan 0.000 0.418 250 S N 2.456 117.726 115.700 -0.716 0.000 2.530 250 S HA 0.726 5.197 4.470 0.000 0.000 0.322 250 S C -1.047 173.162 174.600 -0.651 0.000 1.085 250 S CA -0.385 57.494 58.200 -0.534 0.000 1.096 250 S CB 0.377 63.440 63.200 -0.230 0.000 0.988 250 S HN 0.289 nan 8.310 nan 0.000 0.466 251 F N 2.276 121.709 119.950 -0.861 0.000 2.522 251 F HA 0.705 5.232 4.527 0.000 0.000 0.324 251 F C 0.562 175.920 175.800 -0.736 0.000 1.077 251 F CA -1.587 55.897 58.000 -0.859 0.000 0.944 251 F CB 1.679 39.852 39.000 -1.378 0.000 1.175 251 F HN 0.637 nan 8.300 nan 0.000 0.468 252 A N 2.231 124.975 122.820 -0.126 0.000 2.363 252 A HA 0.550 4.870 4.320 0.000 0.000 0.270 252 A C -0.491 177.145 177.584 0.088 0.000 1.121 252 A CA -0.516 51.475 52.037 -0.076 0.000 0.800 252 A CB 0.174 19.137 19.000 -0.061 0.000 1.052 252 A HN 0.528 nan 8.150 nan 0.000 0.493 253 V N 3.573 123.521 119.914 0.057 0.000 2.599 253 V HA -0.018 4.103 4.120 0.000 0.000 0.300 253 V C 1.030 177.167 176.094 0.072 0.000 1.034 253 V CA 0.379 62.719 62.300 0.067 0.000 1.115 253 V CB 0.789 32.407 31.823 -0.341 0.000 0.934 253 V HN 1.045 nan 8.190 nan 0.000 0.485 254 Q N 2.571 122.436 119.800 0.107 0.000 2.324 254 Q HA 0.103 4.443 4.340 0.000 0.000 0.207 254 Q C 0.880 176.889 176.000 0.014 0.000 0.928 254 Q CA 0.484 56.302 55.803 0.024 0.000 0.890 254 Q CB 0.035 28.730 28.738 -0.071 0.000 1.001 254 Q HN 0.729 nan 8.270 nan 0.000 0.517 255 N N 1.455 120.170 118.700 0.024 0.000 2.621 255 N HA 0.043 4.783 4.740 0.000 0.000 0.237 255 N C 0.454 176.000 175.510 0.061 0.000 0.997 255 N CA 0.194 53.267 53.050 0.038 0.000 0.918 255 N CB 1.064 39.575 38.487 0.040 0.000 1.122 255 N HN 0.056 nan 8.380 nan 0.000 0.510 256 T N -0.387 114.192 114.554 0.043 0.000 2.985 256 T HA -0.020 4.330 4.350 0.000 0.000 0.266 256 T C 0.894 175.607 174.700 0.021 0.000 1.076 256 T CA 0.798 62.921 62.100 0.039 0.000 1.135 256 T CB 0.159 69.032 68.868 0.009 0.000 0.890 256 T HN 0.196 nan 8.240 nan 0.000 0.480 257 D N 2.098 122.503 120.400 0.009 0.000 2.117 257 D HA 0.110 4.750 4.640 0.000 0.000 0.198 257 D C 2.489 178.811 176.300 0.037 0.000 0.982 257 D CA 1.330 55.325 54.000 -0.009 0.000 0.828 257 D CB -0.656 40.154 40.800 0.018 0.000 0.967 257 D HN 0.531 nan 8.370 nan 0.000 0.464 258 A N 0.349 123.213 122.820 0.072 0.000 1.883 258 A HA -0.246 4.074 4.320 0.000 0.000 0.217 258 A C 2.217 179.879 177.584 0.130 0.000 1.186 258 A CA 1.387 53.478 52.037 0.092 0.000 0.624 258 A CB -1.111 17.944 19.000 0.092 0.000 0.822 258 A HN 0.322 nan 8.150 nan 0.000 0.444 259 Y N 0.469 120.776 120.300 0.010 0.000 2.181 259 Y HA -0.059 4.491 4.550 0.000 0.000 0.288 259 Y C 2.663 178.565 175.900 0.003 0.000 1.146 259 Y CA 1.254 59.367 58.100 0.022 0.000 1.164 259 Y CB -0.504 37.979 38.460 0.038 0.000 0.982 259 Y HN 0.303 nan 8.280 nan 0.000 0.515 260 A N 0.168 123.016 122.820 0.046 0.000 1.930 260 A HA -0.061 4.259 4.320 0.000 0.000 0.217 260 A C 2.371 179.945 177.584 -0.016 0.000 1.175 260 A CA 1.677 53.665 52.037 -0.081 0.000 0.627 260 A CB -1.361 17.437 19.000 -0.337 0.000 0.815 260 A HN 0.566 nan 8.150 nan 0.000 0.443 261 A N -0.248 122.579 122.820 0.011 0.000 1.929 261 A HA 0.258 4.578 4.320 0.000 0.000 0.216 261 A C 2.449 180.030 177.584 -0.005 0.000 1.176 261 A CA 1.739 53.791 52.037 0.024 0.000 0.628 261 A CB -0.836 18.190 19.000 0.043 0.000 0.816 261 A HN 0.945 nan 8.150 nan 0.000 0.444 262 A N 0.047 122.856 122.820 -0.018 0.000 1.898 262 A HA -0.031 4.289 4.320 0.000 0.000 0.216 262 A C 2.028 179.567 177.584 -0.074 0.000 1.181 262 A CA 1.505 53.523 52.037 -0.032 0.000 0.620 262 A CB -0.439 18.545 19.000 -0.027 0.000 0.819 262 A HN 0.389 nan 8.150 nan 0.000 0.442 263 I N -0.082 120.402 120.570 -0.145 0.000 2.202 263 I HA -0.216 3.954 4.170 0.000 0.000 0.242 263 I C 2.451 178.537 176.117 -0.051 0.000 1.091 263 I CA 1.304 62.523 61.300 -0.136 0.000 1.368 263 I CB -1.092 36.787 38.000 -0.203 0.000 1.058 263 I HN 0.302 nan 8.210 nan 0.000 0.410 264 I N 0.569 121.119 120.570 -0.033 0.000 2.151 264 I HA -0.370 3.800 4.170 0.000 0.000 0.243 264 I C 2.658 178.730 176.117 -0.074 0.000 1.080 264 I CA 1.565 62.841 61.300 -0.040 0.000 1.339 264 I CB -0.309 37.667 38.000 -0.041 0.000 1.039 264 I HN 0.325 nan 8.210 nan 0.000 0.409 265 Q N -0.043 119.716 119.800 -0.069 0.000 2.119 265 Q HA -0.171 4.170 4.340 0.000 0.000 0.201 265 Q C 2.365 178.371 176.000 0.009 0.000 0.972 265 Q CA 1.191 56.971 55.803 -0.038 0.000 0.847 265 Q CB -0.093 28.669 28.738 0.040 0.000 0.903 265 Q HN 0.443 nan 8.270 nan 0.000 0.433 266 R N 0.349 120.852 120.500 0.006 0.000 2.096 266 R HA -0.140 4.200 4.340 0.000 0.000 0.235 266 R C 2.228 178.556 176.300 0.046 0.000 1.127 266 R CA 1.301 57.413 56.100 0.020 0.000 0.968 266 R CB -0.043 30.255 30.300 -0.004 0.000 0.861 266 R HN 0.364 nan 8.270 nan 0.000 0.440 267 Q N 0.367 120.197 119.800 0.050 0.000 2.083 267 Q HA -0.075 4.266 4.340 0.000 0.000 0.198 267 Q C 2.261 178.278 176.000 0.029 0.000 0.969 267 Q CA 0.995 56.870 55.803 0.120 0.000 0.838 267 Q CB -0.035 28.780 28.738 0.127 0.000 0.900 267 Q HN 0.322 nan 8.270 nan 0.000 0.436 268 L N 0.454 121.659 121.223 -0.030 0.000 2.013 268 L HA -0.255 4.085 4.340 0.000 0.000 0.212 268 L C 2.709 179.586 176.870 0.011 0.000 1.073 268 L CA 1.479 56.292 54.840 -0.045 0.000 0.753 268 L CB -0.439 41.579 42.059 -0.068 0.000 0.890 268 L HN 0.204 nan 8.230 nan 0.000 0.432 269 R N 0.680 121.206 120.500 0.043 0.000 2.073 269 R HA -0.232 4.108 4.340 0.000 0.000 0.234 269 R C 2.377 178.712 176.300 0.058 0.000 1.134 269 R CA 1.907 58.041 56.100 0.056 0.000 0.952 269 R CB -0.132 30.203 30.300 0.059 0.000 0.850 269 R HN 0.206 nan 8.270 nan 0.000 0.433 270 K N 0.369 120.820 120.400 0.085 0.000 2.148 270 K HA -0.073 4.247 4.320 0.000 0.000 0.204 270 K C 1.794 178.474 176.600 0.132 0.000 1.050 270 K CA 1.011 57.371 56.287 0.122 0.000 0.942 270 K CB 0.026 32.637 32.500 0.185 0.000 0.724 270 K HN 0.243 nan 8.250 nan 0.000 0.446 271 L N -0.021 121.246 121.223 0.074 0.000 2.552 271 L HA 0.091 4.431 4.340 0.000 0.000 0.227 271 L C 1.010 177.882 176.870 0.003 0.000 1.146 271 L CA 0.577 55.414 54.840 -0.005 0.000 0.858 271 L CB -0.006 41.961 42.059 -0.154 0.000 0.969 271 L HN 0.554 nan 8.230 nan 0.000 0.451 272 G N 0.964 109.777 108.800 0.021 0.000 2.176 272 G HA2 -0.291 3.669 3.960 0.000 0.000 0.252 272 G HA3 -0.291 3.669 3.960 0.000 0.000 0.252 272 G C 0.111 175.019 174.900 0.013 0.000 1.024 272 G CA -0.157 44.955 45.100 0.019 0.000 0.755 272 G HN 0.311 nan 8.290 nan 0.000 0.507 273 I N 1.016 121.593 120.570 0.011 0.000 2.297 273 I HA 0.242 4.413 4.170 0.000 0.000 0.291 273 I C 0.802 176.957 176.117 0.063 0.000 1.033 273 I CA -0.521 60.792 61.300 0.021 0.000 1.253 273 I CB 1.226 39.223 38.000 -0.005 0.000 1.396 273 I HN 0.232 nan 8.210 nan 0.000 0.476 274 E N 6.591 126.830 120.200 0.066 0.000 2.376 274 E HA 0.150 4.500 4.350 0.000 0.000 0.266 274 E C -1.519 175.181 176.600 0.167 0.000 1.009 274 E CA -0.041 56.411 56.400 0.086 0.000 0.902 274 E CB 0.823 30.550 29.700 0.044 0.000 0.972 274 E HN 0.416 nan 8.360 nan 0.000 0.439 275 F N 4.117 124.064 119.950 -0.005 0.000 2.588 275 F HA 0.345 4.873 4.527 0.000 0.000 0.314 275 F C -1.005 174.794 175.800 -0.001 0.000 1.134 275 F CA -0.621 57.376 58.000 -0.004 0.000 0.961 275 F CB 1.449 40.447 39.000 -0.004 0.000 1.239 275 F HN 0.482 nan 8.300 nan 0.000 0.448 276 N N 2.585 120.808 118.700 -0.794 0.000 2.240 276 N HA 0.295 5.036 4.740 0.000 0.000 0.240 276 N C 0.202 175.268 175.510 -0.741 0.000 1.277 276 N CA -0.273 52.416 53.050 -0.601 0.000 0.873 276 N CB 1.335 39.657 38.487 -0.276 0.000 1.222 276 N HN 0.691 nan 8.380 nan 0.000 0.507 277 G N 0.136 108.094 108.800 -1.403 0.000 2.671 277 G HA2 0.437 4.397 3.960 0.000 0.000 0.275 277 G HA3 0.437 4.397 3.960 0.000 0.000 0.275 277 G C -0.479 174.262 174.900 -0.266 0.000 1.368 277 G CA -0.433 44.293 45.100 -0.623 0.000 1.044 277 G HN -0.029 nan 8.290 nan 0.000 0.543 278 K N -1.008 119.405 120.400 0.022 0.000 2.087 278 K HA 0.509 4.829 4.320 0.000 0.000 0.255 278 K C -0.838 175.906 176.600 0.240 0.000 0.988 278 K CA -0.566 55.779 56.287 0.097 0.000 0.915 278 K CB 2.173 34.708 32.500 0.059 0.000 1.043 278 K HN 0.107 nan 8.250 nan 0.000 0.457 279 V N 4.025 124.050 119.914 0.185 0.000 2.364 279 V HA 0.243 4.363 4.120 0.000 0.000 0.272 279 V C -0.252 175.904 176.094 0.102 0.000 1.036 279 V CA -0.568 61.825 62.300 0.154 0.000 0.880 279 V CB 0.417 32.312 31.823 0.118 0.000 0.991 279 V HN 0.494 nan 8.190 nan 0.000 0.460 280 L N 6.385 127.663 121.223 0.092 0.000 2.329 280 L HA 0.606 4.946 4.340 0.000 0.000 0.279 280 L C -0.501 176.407 176.870 0.063 0.000 1.014 280 L CA -0.544 54.338 54.840 0.070 0.000 0.814 280 L CB 1.784 43.882 42.059 0.065 0.000 1.257 280 L HN 0.453 nan 8.230 nan 0.000 0.424 281 L N 4.600 125.856 121.223 0.055 0.000 2.495 281 L HA 0.295 4.635 4.340 0.000 0.000 0.248 281 L C -1.669 175.230 176.870 0.047 0.000 1.229 281 L CA -1.200 53.673 54.840 0.054 0.000 0.942 281 L CB 1.082 43.172 42.059 0.052 0.000 1.242 281 L HN 0.421 nan 8.230 nan 0.000 0.484 282 P HA -0.097 nan 4.420 nan 0.000 0.226 282 P C 0.268 177.592 177.300 0.040 0.000 1.153 282 P CA 0.473 63.597 63.100 0.040 0.000 0.777 282 P CB 0.220 31.943 31.700 0.038 0.000 0.794 283 Q N -1.131 118.696 119.800 0.045 0.000 2.494 283 Q HA -0.196 4.144 4.340 0.000 0.000 0.266 283 Q C -0.134 175.894 176.000 0.047 0.000 1.053 283 Q CA 1.326 57.157 55.803 0.046 0.000 1.029 283 Q CB -2.694 26.068 28.738 0.040 0.000 1.423 283 Q HN 0.575 nan 8.270 nan 0.000 0.516 284 K N -1.942 118.486 120.400 0.046 0.000 2.533 284 K HA 0.782 5.102 4.320 0.000 0.000 0.272 284 K C -3.078 173.551 176.600 0.049 0.000 0.985 284 K CA -2.336 53.980 56.287 0.049 0.000 0.876 284 K CB 1.674 34.199 32.500 0.042 0.000 1.452 284 K HN -0.314 nan 8.250 nan 0.000 0.439 285 P HA 0.015 nan 4.420 nan 0.000 0.268 285 P C -1.085 176.239 177.300 0.039 0.000 1.205 285 P CA -0.159 62.972 63.100 0.052 0.000 0.771 285 P CB 0.433 32.174 31.700 0.069 0.000 0.858 286 Q N 2.183 122.001 119.800 0.030 0.000 2.348 286 Q HA 0.306 4.646 4.340 0.000 0.000 0.265 286 Q C -0.394 175.617 176.000 0.018 0.000 0.998 286 Q CA -0.594 55.222 55.803 0.023 0.000 0.831 286 Q CB 1.667 30.417 28.738 0.019 0.000 1.251 286 Q HN 0.415 nan 8.270 nan 0.000 0.456 287 Q N 0.447 120.259 119.800 0.019 0.000 2.299 287 Q HA 0.749 5.090 4.340 0.000 0.000 0.246 287 Q C 0.136 176.141 176.000 0.008 0.000 0.935 287 Q CA 0.109 55.920 55.803 0.015 0.000 0.887 287 Q CB 1.613 30.361 28.738 0.017 0.000 1.223 287 Q HN 0.818 nan 8.270 nan 0.000 0.439 288 G N 0.193 108.995 108.800 0.004 0.000 2.441 288 G HA2 0.344 4.305 3.960 0.000 0.000 0.294 288 G HA3 0.344 4.305 3.960 0.000 0.000 0.294 288 G C -1.758 173.140 174.900 -0.004 0.000 1.393 288 G CA -1.015 44.085 45.100 -0.000 0.000 0.796 288 G HN 0.627 nan 8.290 nan 0.000 0.494 289 Q N -0.238 119.558 119.800 -0.006 0.000 2.304 289 Q HA 0.513 4.854 4.340 0.000 0.000 0.260 289 Q C -0.235 175.756 176.000 -0.015 0.000 0.965 289 Q CA -0.634 55.164 55.803 -0.008 0.000 0.898 289 Q CB 1.785 30.518 28.738 -0.008 0.000 1.196 289 Q HN 0.530 nan 8.270 nan 0.000 0.402 290 L N 4.893 126.107 121.223 -0.016 0.000 2.562 290 L HA -0.001 4.339 4.340 0.000 0.000 0.271 290 L C -0.033 176.822 176.870 -0.026 0.000 1.167 290 L CA 0.625 55.452 54.840 -0.023 0.000 0.917 290 L CB 0.193 42.239 42.059 -0.021 0.000 1.187 290 L HN 0.944 nan 8.230 nan 0.000 0.482 291 L N 5.084 126.287 121.223 -0.033 0.000 2.253 291 L HA 0.435 4.775 4.340 0.000 0.000 0.205 291 L C 0.748 177.597 176.870 -0.035 0.000 1.078 291 L CA 0.555 55.375 54.840 -0.034 0.000 0.805 291 L CB -0.367 41.669 42.059 -0.039 0.000 0.963 291 L HN 0.795 nan 8.230 nan 0.000 0.459 292 A N 0.032 122.828 122.820 -0.041 0.000 2.582 292 A HA 0.561 4.882 4.320 0.000 0.000 0.297 292 A C -1.328 176.233 177.584 -0.039 0.000 1.059 292 A CA -0.561 51.454 52.037 -0.037 0.000 0.705 292 A CB 1.446 20.422 19.000 -0.039 0.000 1.279 292 A HN -0.023 nan 8.150 nan 0.000 0.404 293 K N 1.664 122.048 120.400 -0.027 0.000 2.507 293 K HA 0.431 4.751 4.320 0.000 0.000 0.251 293 K C -1.381 175.221 176.600 0.003 0.000 0.943 293 K CA -0.556 55.717 56.287 -0.023 0.000 0.794 293 K CB 1.232 33.710 32.500 -0.038 0.000 1.188 293 K HN 0.961 nan 8.250 nan 0.000 0.428 294 H N 6.196 125.230 119.070 -0.061 0.000 2.489 294 H HA 0.320 4.876 4.556 0.000 0.000 0.322 294 H C -1.242 174.068 175.328 -0.029 0.000 1.091 294 H CA -0.371 55.654 56.048 -0.039 0.000 1.291 294 H CB 0.826 30.566 29.762 -0.036 0.000 1.436 294 H HN 0.503 nan 8.280 nan 0.000 0.480 295 L N 4.673 125.566 121.223 -0.551 0.000 2.307 295 L HA 0.169 4.509 4.340 0.000 0.000 0.284 295 L C 0.971 177.586 176.870 -0.426 0.000 1.023 295 L CA -0.769 53.866 54.840 -0.343 0.000 0.810 295 L CB 1.741 43.662 42.059 -0.229 0.000 1.231 295 L HN 0.681 nan 8.230 nan 0.000 0.423 296 S N 2.924 118.563 115.700 -0.102 0.000 2.598 296 S HA 0.169 4.639 4.470 0.000 0.000 0.256 296 S C 0.176 174.778 174.600 0.005 0.000 1.350 296 S CA -0.502 57.728 58.200 0.050 0.000 0.984 296 S CB 0.586 63.929 63.200 0.239 0.000 0.930 296 S HN 0.523 nan 8.310 nan 0.000 0.577 297 K N 1.785 122.226 120.400 0.068 0.000 2.380 297 K HA 0.224 4.544 4.320 0.000 0.000 0.267 297 K C -2.064 174.582 176.600 0.077 0.000 0.990 297 K CA -1.195 55.127 56.287 0.059 0.000 0.946 297 K CB -0.077 32.473 32.500 0.083 0.000 0.937 297 K HN 0.558 nan 8.250 nan 0.000 0.491 298 P HA -0.022 nan 4.420 nan 0.000 0.277 298 P C 0.578 177.966 177.300 0.147 0.000 1.271 298 P CA -0.397 62.746 63.100 0.071 0.000 0.795 298 P CB 0.562 32.290 31.700 0.047 0.000 1.101 299 L N 1.782 123.126 121.223 0.201 0.000 2.043 299 L HA -0.127 4.213 4.340 0.000 0.000 0.212 299 L C -0.948 176.022 176.870 0.167 0.000 1.075 299 L CA 2.810 57.795 54.840 0.241 0.000 0.752 299 L CB -2.399 39.806 42.059 0.242 0.000 0.891 299 L HN 0.329 nan 8.230 nan 0.000 0.432 300 P HA -0.103 nan 4.420 nan 0.000 0.218 300 P C 0.961 178.320 177.300 0.098 0.000 1.149 300 P CA 1.438 64.602 63.100 0.108 0.000 0.817 300 P CB -0.081 31.672 31.700 0.088 0.000 0.785 301 D N -0.721 119.738 120.400 0.098 0.000 2.117 301 D HA -0.065 4.576 4.640 0.000 0.000 0.198 301 D C 2.054 178.416 176.300 0.104 0.000 0.982 301 D CA 0.969 55.022 54.000 0.088 0.000 0.828 301 D CB -0.522 40.327 40.800 0.082 0.000 0.967 301 D HN 0.181 nan 8.370 nan 0.000 0.464 302 L N 0.438 121.748 121.223 0.144 0.000 2.017 302 L HA -0.148 4.192 4.340 0.000 0.000 0.208 302 L C 2.624 179.574 176.870 0.132 0.000 1.073 302 L CA 0.813 55.755 54.840 0.170 0.000 0.745 302 L CB -0.432 41.790 42.059 0.272 0.000 0.894 302 L HN 0.008 nan 8.230 nan 0.000 0.432 303 L N -0.308 120.989 121.223 0.122 0.000 2.093 303 L HA -0.193 4.147 4.340 0.000 0.000 0.208 303 L C 2.701 179.601 176.870 0.050 0.000 1.085 303 L CA 1.117 56.008 54.840 0.086 0.000 0.755 303 L CB -0.435 41.676 42.059 0.086 0.000 0.904 303 L HN 0.261 nan 8.230 nan 0.000 0.435 304 K N 0.849 121.283 120.400 0.057 0.000 2.057 304 K HA -0.250 4.070 4.320 0.000 0.000 0.207 304 K C 2.246 178.863 176.600 0.028 0.000 1.049 304 K CA 1.558 57.869 56.287 0.039 0.000 0.931 304 K CB 0.032 32.561 32.500 0.049 0.000 0.714 304 K HN 0.082 nan 8.250 nan 0.000 0.440 305 K N 0.574 120.999 120.400 0.042 0.000 2.057 305 K HA -0.153 4.168 4.320 0.000 0.000 0.206 305 K C 2.237 178.850 176.600 0.022 0.000 1.050 305 K CA 1.491 57.799 56.287 0.035 0.000 0.935 305 K CB -0.114 32.416 32.500 0.050 0.000 0.715 305 K HN 0.189 nan 8.250 nan 0.000 0.439 306 M N 0.119 119.737 119.600 0.032 0.000 2.080 306 M HA -0.195 4.286 4.480 0.000 0.000 0.260 306 M C 1.816 178.099 176.300 -0.028 0.000 1.068 306 M CA 1.523 56.833 55.300 0.016 0.000 1.109 306 M CB 0.049 32.670 32.600 0.035 0.000 1.342 306 M HN 0.198 nan 8.290 nan 0.000 0.405 307 M N -0.049 119.518 119.600 -0.056 0.000 2.236 307 M HA -0.105 4.375 4.480 0.000 0.000 0.266 307 M C 1.946 178.186 176.300 -0.100 0.000 1.070 307 M CA 1.304 56.523 55.300 -0.134 0.000 1.137 307 M CB -1.006 31.460 32.600 -0.224 0.000 1.378 307 M HN 0.194 nan 8.290 nan 0.000 0.426 308 K N 0.682 121.054 120.400 -0.047 0.000 2.062 308 K HA -0.048 4.272 4.320 0.000 0.000 0.205 308 K C 1.717 178.306 176.600 -0.018 0.000 1.051 308 K CA 1.085 57.361 56.287 -0.019 0.000 0.941 308 K CB -0.088 32.415 32.500 0.005 0.000 0.719 308 K HN 0.391 nan 8.250 nan 0.000 0.440 309 K N 0.106 120.496 120.400 -0.017 0.000 2.353 309 K HA 0.088 4.408 4.320 0.000 0.000 0.195 309 K C 0.107 176.692 176.600 -0.024 0.000 1.031 309 K CA -0.009 56.269 56.287 -0.015 0.000 1.079 309 K CB 0.660 33.158 32.500 -0.004 0.000 0.857 309 K HN -0.087 nan 8.250 nan 0.000 0.535 310 S N 2.431 118.111 115.700 -0.032 0.000 3.791 310 S HA -0.129 4.341 4.470 0.000 0.000 0.393 310 S C -0.668 173.918 174.600 -0.023 0.000 0.936 310 S CA 0.194 58.370 58.200 -0.040 0.000 1.234 310 S CB -1.222 61.945 63.200 -0.055 0.000 0.891 310 S HN 0.431 nan 8.310 nan 0.000 0.519 311 D N 1.276 121.673 120.400 -0.006 0.000 2.365 311 D HA 0.237 4.877 4.640 0.000 0.000 0.237 311 D C 1.302 177.613 176.300 0.017 0.000 1.190 311 D CA -0.456 53.552 54.000 0.013 0.000 0.867 311 D CB 0.378 41.194 40.800 0.028 0.000 1.050 311 D HN 0.425 nan 8.370 nan 0.000 0.491 312 N N 2.829 121.535 118.700 0.010 0.000 2.188 312 N HA -0.155 4.585 4.740 0.000 0.000 0.184 312 N C 1.328 176.865 175.510 0.044 0.000 1.018 312 N CA 1.036 54.085 53.050 -0.002 0.000 0.858 312 N CB 0.201 38.656 38.487 -0.052 0.000 0.989 312 N HN 0.507 nan 8.380 nan 0.000 0.426 313 Q N 0.653 120.484 119.800 0.051 0.000 2.123 313 Q HA 0.156 4.496 4.340 0.000 0.000 0.199 313 Q C 2.151 178.208 176.000 0.095 0.000 0.966 313 Q CA 0.544 56.397 55.803 0.085 0.000 0.845 313 Q CB -0.140 28.635 28.738 0.062 0.000 0.907 313 Q HN 0.403 nan 8.270 nan 0.000 0.439 314 I N 0.198 120.818 120.570 0.083 0.000 2.226 314 I HA -0.301 3.869 4.170 0.000 0.000 0.245 314 I C 2.166 178.373 176.117 0.149 0.000 1.100 314 I CA 1.071 62.441 61.300 0.117 0.000 1.374 314 I CB -0.503 37.565 38.000 0.113 0.000 1.057 314 I HN 0.176 nan 8.210 nan 0.000 0.413 315 A N 0.568 123.451 122.820 0.106 0.000 1.877 315 A HA -0.241 4.079 4.320 0.000 0.000 0.216 315 A C 1.989 179.648 177.584 0.124 0.000 1.186 315 A CA 2.158 54.256 52.037 0.102 0.000 0.620 315 A CB -0.565 18.460 19.000 0.042 0.000 0.822 315 A HN 0.347 nan 8.150 nan 0.000 0.443 316 D N -0.635 119.839 120.400 0.122 0.000 2.234 316 D HA 0.003 4.643 4.640 0.000 0.000 0.205 316 D C 2.195 178.548 176.300 0.088 0.000 0.962 316 D CA 1.112 55.172 54.000 0.100 0.000 0.855 316 D CB -0.058 40.889 40.800 0.246 0.000 0.951 316 D HN 0.361 nan 8.370 nan 0.000 0.500 317 S N 0.419 116.227 115.700 0.181 0.000 2.368 317 S HA -0.018 4.452 4.470 0.000 0.000 0.224 317 S C 2.173 177.060 174.600 0.478 0.000 1.029 317 S CA 0.415 58.808 58.200 0.320 0.000 0.988 317 S CB -0.040 63.317 63.200 0.262 0.000 0.838 317 S HN 0.246 nan 8.310 nan 0.000 0.462 318 L N 0.027 121.499 121.223 0.415 0.000 2.083 318 L HA -0.098 4.242 4.340 0.000 0.000 0.209 318 L C 2.221 179.206 176.870 0.192 0.000 1.083 318 L CA 1.173 56.200 54.840 0.311 0.000 0.752 318 L CB -0.506 41.689 42.059 0.226 0.000 0.899 318 L HN 0.270 nan 8.230 nan 0.000 0.433 319 F N 1.014 120.961 119.950 -0.005 0.000 2.095 319 F HA -0.237 4.290 4.527 0.000 0.000 0.298 319 F C 2.712 178.428 175.800 -0.140 0.000 1.104 319 F CA 1.678 59.625 58.000 -0.089 0.000 1.232 319 F CB -0.168 38.753 39.000 -0.132 0.000 0.987 319 F HN -0.112 nan 8.300 nan 0.000 0.475 320 R N -0.267 120.164 120.500 -0.116 0.000 2.119 320 R HA 0.041 4.381 4.340 0.000 0.000 0.222 320 R C 2.402 178.771 176.300 0.116 0.000 1.088 320 R CA 0.828 56.766 56.100 -0.270 0.000 0.984 320 R CB -0.698 29.088 30.300 -0.857 0.000 0.884 320 R HN 0.368 nan 8.270 nan 0.000 0.447 321 A N 0.947 123.949 122.820 0.303 0.000 1.902 321 A HA -0.123 4.198 4.320 0.000 0.000 0.217 321 A C 2.328 179.956 177.584 0.075 0.000 1.181 321 A CA 1.306 53.526 52.037 0.306 0.000 0.623 321 A CB -0.603 18.483 19.000 0.143 0.000 0.818 321 A HN 0.090 nan 8.150 nan 0.000 0.443 322 V N -0.186 119.684 119.914 -0.073 0.000 2.282 322 V HA -0.311 3.810 4.120 0.000 0.000 0.249 322 V C 3.057 179.093 176.094 -0.097 0.000 1.057 322 V CA 2.201 64.407 62.300 -0.157 0.000 1.032 322 V CB -1.137 30.559 31.823 -0.212 0.000 0.645 322 V HN 0.640 nan 8.190 nan 0.000 0.447 323 A N -0.985 121.789 122.820 -0.076 0.000 1.930 323 A HA -0.205 4.116 4.320 0.000 0.000 0.217 323 A C 2.092 179.787 177.584 0.186 0.000 1.175 323 A CA 1.814 53.873 52.037 0.037 0.000 0.627 323 A CB -0.680 18.326 19.000 0.011 0.000 0.815 323 A HN 0.531 nan 8.150 nan 0.000 0.443 324 F N 1.583 121.593 119.950 0.101 0.000 2.095 324 F HA -0.216 4.312 4.527 0.000 0.000 0.298 324 F C 1.796 177.657 175.800 0.101 0.000 1.104 324 F CA 2.261 60.348 58.000 0.145 0.000 1.232 324 F CB -0.474 38.648 39.000 0.204 0.000 0.987 324 F HN 0.295 nan 8.300 nan 0.000 0.475 325 N N -1.758 116.973 118.700 0.051 0.000 2.331 325 N HA -0.164 4.576 4.740 0.000 0.000 0.180 325 N C 1.508 176.971 175.510 -0.077 0.000 1.019 325 N CA 1.083 54.101 53.050 -0.054 0.000 0.881 325 N CB -0.406 38.109 38.487 0.047 0.000 0.972 325 N HN 0.384 nan 8.380 nan 0.000 0.435 326 Y N -0.607 119.542 120.300 -0.252 0.000 2.314 326 Y HA -0.013 4.537 4.550 0.000 0.000 0.294 326 Y C 0.869 176.508 175.900 -0.435 0.000 1.119 326 Y CA 1.188 59.054 58.100 -0.389 0.000 1.179 326 Y CB 0.033 38.146 38.460 -0.577 0.000 1.025 326 Y HN 0.056 nan 8.280 nan 0.000 0.541 327 Y N 0.235 120.501 120.300 -0.057 0.000 2.462 327 Y HA 0.208 4.758 4.550 0.000 0.000 0.261 327 Y C 0.485 176.275 175.900 -0.184 0.000 1.146 327 Y CA -0.313 57.705 58.100 -0.137 0.000 1.283 327 Y CB 0.178 38.611 38.460 -0.045 0.000 1.090 327 Y HN -0.161 nan 8.280 nan 0.000 0.526 328 K N 1.216 121.516 120.400 -0.166 0.000 3.125 328 K HA -0.219 4.101 4.320 0.000 0.000 0.268 328 K C -0.440 176.015 176.600 -0.242 0.000 1.078 328 K CA 0.805 56.905 56.287 -0.312 0.000 0.775 328 K CB -1.983 30.402 32.500 -0.191 0.000 1.253 328 K HN 0.685 nan 8.250 nan 0.000 0.486 329 R N -2.638 117.747 120.500 -0.192 0.000 2.692 329 R HA 0.524 4.865 4.340 0.000 0.000 0.269 329 R C -3.254 173.205 176.300 0.265 0.000 1.030 329 R CA -2.103 54.014 56.100 0.028 0.000 0.882 329 R CB 1.039 31.368 30.300 0.048 0.000 1.250 329 R HN -0.310 nan 8.270 nan 0.000 0.465 330 P HA 0.028 nan 4.420 nan 0.000 0.265 330 P C -1.007 176.489 177.300 0.327 0.000 1.187 330 P CA 0.252 63.606 63.100 0.423 0.000 0.766 330 P CB 0.726 32.578 31.700 0.253 0.000 0.820 331 A N 2.535 125.572 122.820 0.362 0.000 2.303 331 A HA 0.581 4.901 4.320 0.000 0.000 0.320 331 A C 0.338 177.959 177.584 0.061 0.000 1.192 331 A CA -0.272 51.884 52.037 0.198 0.000 0.821 331 A CB 0.449 19.578 19.000 0.215 0.000 1.188 331 A HN 0.528 nan 8.150 nan 0.000 0.492 332 S N 1.324 117.044 115.700 0.033 0.000 2.738 332 S HA 0.608 5.078 4.470 0.000 0.000 0.284 332 S C 0.533 175.143 174.600 0.018 0.000 1.146 332 S CA -0.386 57.842 58.200 0.046 0.000 0.997 332 S CB 0.139 63.385 63.200 0.076 0.000 1.081 332 S HN 0.433 nan 8.310 nan 0.000 0.553 333 F N 0.979 120.928 119.950 -0.002 0.000 2.171 333 F HA -0.050 4.477 4.527 0.000 0.000 0.300 333 F C 2.698 178.558 175.800 0.099 0.000 1.090 333 F CA 1.452 59.525 58.000 0.121 0.000 1.293 333 F CB -0.800 38.254 39.000 0.091 0.000 1.013 333 F HN 0.500 nan 8.300 nan 0.000 0.486 334 Q N 0.073 119.989 119.800 0.194 0.000 2.124 334 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 334 Q C 2.252 178.250 176.000 -0.003 0.000 0.977 334 Q CA 1.300 57.156 55.803 0.087 0.000 0.850 334 Q CB -0.580 28.186 28.738 0.046 0.000 0.901 334 Q HN 0.424 nan 8.270 nan 0.000 0.429 335 L N -0.717 120.485 121.223 -0.035 0.000 2.156 335 L HA -0.035 4.305 4.340 0.000 0.000 0.208 335 L C 2.223 179.021 176.870 -0.120 0.000 1.095 335 L CA 0.930 55.734 54.840 -0.059 0.000 0.770 335 L CB -0.776 41.275 42.059 -0.013 0.000 0.914 335 L HN 0.368 nan 8.230 nan 0.000 0.439 336 G N -0.565 108.011 108.800 -0.374 0.000 2.440 336 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 336 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 336 G C 1.583 175.902 174.900 -0.968 0.000 1.154 336 G CA 1.459 45.900 45.100 -1.100 0.000 0.767 336 G HN 0.276 nan 8.290 nan 0.000 0.552 337 T N 1.146 115.511 114.554 -0.315 0.000 2.821 337 T HA 0.026 4.376 4.350 0.000 0.000 0.267 337 T C 2.431 177.059 174.700 -0.119 0.000 1.046 337 T CA 0.729 62.818 62.100 -0.019 0.000 1.139 337 T CB -0.138 68.799 68.868 0.115 0.000 0.871 337 T HN 0.159 nan 8.240 nan 0.000 0.454 338 L N 0.646 121.825 121.223 -0.073 0.000 2.093 338 L HA -0.046 4.294 4.340 0.000 0.000 0.208 338 L C 3.002 179.915 176.870 0.071 0.000 1.085 338 L CA 1.161 56.004 54.840 0.005 0.000 0.755 338 L CB -0.601 41.469 42.059 0.017 0.000 0.904 338 L HN 0.233 nan 8.230 nan 0.000 0.435 339 A N -0.442 122.415 122.820 0.061 0.000 1.873 339 A HA -0.115 4.205 4.320 0.000 0.000 0.215 339 A C 2.324 179.671 177.584 -0.395 0.000 1.186 339 A CA 1.479 53.389 52.037 -0.211 0.000 0.616 339 A CB -0.747 18.052 19.000 -0.334 0.000 0.823 339 A HN 0.160 nan 8.150 nan 0.000 0.442 340 V N 0.248 119.967 119.914 -0.326 0.000 2.343 340 V HA -0.267 3.854 4.120 0.000 0.000 0.247 340 V C 2.455 178.385 176.094 -0.273 0.000 1.051 340 V CA 2.371 64.519 62.300 -0.254 0.000 1.036 340 V CB -0.656 31.109 31.823 -0.096 0.000 0.654 340 V HN 0.541 nan 8.190 nan 0.000 0.451 341 K N -0.129 120.054 120.400 -0.363 0.000 2.057 341 K HA -0.148 4.173 4.320 0.000 0.000 0.206 341 K C 2.506 179.044 176.600 -0.105 0.000 1.050 341 K CA 1.567 57.580 56.287 -0.456 0.000 0.935 341 K CB -0.386 31.800 32.500 -0.524 0.000 0.715 341 K HN 0.398 nan 8.250 nan 0.000 0.439 342 S N 1.116 116.768 115.700 -0.079 0.000 2.368 342 S HA -0.122 4.348 4.470 0.000 0.000 0.225 342 S C 1.944 176.526 174.600 -0.031 0.000 1.030 342 S CA 1.066 59.277 58.200 0.018 0.000 0.999 342 S CB -0.185 63.112 63.200 0.162 0.000 0.844 342 S HN 0.197 nan 8.310 nan 0.000 0.459 343 I N 1.008 121.449 120.570 -0.214 0.000 2.315 343 I HA -0.109 4.061 4.170 0.000 0.000 0.248 343 I C 2.163 178.226 176.117 -0.091 0.000 1.117 343 I CA 0.910 62.085 61.300 -0.209 0.000 1.404 343 I CB -0.221 37.542 38.000 -0.395 0.000 1.071 343 I HN 0.307 nan 8.210 nan 0.000 0.419 344 L N -0.044 121.155 121.223 -0.040 0.000 2.109 344 L HA -0.188 4.152 4.340 0.000 0.000 0.207 344 L C 2.630 179.506 176.870 0.010 0.000 1.086 344 L CA 1.168 56.004 54.840 -0.007 0.000 0.760 344 L CB -0.578 41.581 42.059 0.166 0.000 0.910 344 L HN 0.345 nan 8.230 nan 0.000 0.437 345 Q N 0.836 120.708 119.800 0.119 0.000 2.124 345 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 345 Q C 2.031 178.045 176.000 0.024 0.000 0.977 345 Q CA 1.536 57.391 55.803 0.086 0.000 0.850 345 Q CB 0.131 28.955 28.738 0.143 0.000 0.901 345 Q HN 0.402 nan 8.270 nan 0.000 0.429 346 K N -0.277 120.137 120.400 0.023 0.000 2.280 346 K HA -0.108 4.213 4.320 0.000 0.000 0.202 346 K C 1.588 178.191 176.600 0.005 0.000 1.047 346 K CA 0.825 57.126 56.287 0.023 0.000 0.942 346 K CB 0.186 32.710 32.500 0.041 0.000 0.739 346 K HN 0.269 nan 8.250 nan 0.000 0.457 347 Q N -0.566 119.204 119.800 -0.051 0.000 2.320 347 Q HA 0.090 4.430 4.340 0.000 0.000 0.201 347 Q C 0.901 176.856 176.000 -0.075 0.000 0.910 347 Q CA 0.611 56.369 55.803 -0.075 0.000 0.946 347 Q CB 1.330 29.882 28.738 -0.311 0.000 1.062 347 Q HN 0.540 nan 8.270 nan 0.000 0.503 348 G N 0.585 109.351 108.800 -0.056 0.000 2.179 348 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 348 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 348 G C 0.223 175.068 174.900 -0.090 0.000 0.990 348 G CA -0.417 44.660 45.100 -0.039 0.000 0.646 348 G HN 0.251 nan 8.290 nan 0.000 0.517 349 I N 1.420 121.888 120.570 -0.170 0.000 2.575 349 I HA 0.396 4.566 4.170 0.000 0.000 0.285 349 I C 0.462 176.376 176.117 -0.338 0.000 1.085 349 I CA -0.177 60.944 61.300 -0.299 0.000 1.403 349 I CB 0.767 38.507 38.000 -0.433 0.000 1.409 349 I HN 0.038 nan 8.210 nan 0.000 0.557 350 R N 5.861 126.134 120.500 -0.379 0.000 2.360 350 R HA 0.294 4.634 4.340 0.000 0.000 0.318 350 R C -0.148 175.949 176.300 -0.339 0.000 0.950 350 R CA -0.458 55.495 56.100 -0.244 0.000 0.837 350 R CB 0.878 31.121 30.300 -0.096 0.000 1.165 350 R HN 0.449 nan 8.270 nan 0.000 0.458 351 F N 0.596 120.541 119.950 -0.009 0.000 2.754 351 F HA 0.124 4.651 4.527 0.000 0.000 0.297 351 F C 1.943 177.780 175.800 0.062 0.000 1.122 351 F CA 0.710 58.708 58.000 -0.003 0.000 1.400 351 F CB 0.097 39.055 39.000 -0.069 0.000 1.117 351 F HN 0.876 nan 8.300 nan 0.000 0.587 352 G N 1.460 110.377 108.800 0.195 0.000 2.634 352 G HA2 -0.416 3.544 3.960 0.000 0.000 0.309 352 G HA3 -0.416 3.544 3.960 0.000 0.000 0.309 352 G C 0.432 175.451 174.900 0.199 0.000 1.265 352 G CA 0.703 45.917 45.100 0.190 0.000 0.998 352 G HN 0.447 nan 8.290 nan 0.000 0.551 353 N N 0.901 119.753 118.700 0.253 0.000 2.376 353 N HA 0.431 5.171 4.740 0.000 0.000 0.249 353 N C 0.131 175.586 175.510 -0.091 0.000 1.140 353 N CA 0.221 53.357 53.050 0.144 0.000 0.870 353 N CB 0.645 39.254 38.487 0.204 0.000 1.124 353 N HN 0.444 nan 8.380 nan 0.000 0.505 354 S N 0.877 116.552 115.700 -0.042 0.000 2.566 354 S HA 0.098 4.568 4.470 0.000 0.000 0.280 354 S C 0.227 174.698 174.600 -0.214 0.000 1.343 354 S CA 0.070 58.125 58.200 -0.241 0.000 1.036 354 S CB 0.798 64.067 63.200 0.116 0.000 0.866 354 S HN 0.165 nan 8.310 nan 0.000 0.526 355 I N 2.869 123.293 120.570 -0.244 0.000 2.355 355 I HA 0.317 4.487 4.170 0.000 0.000 0.288 355 I C -0.855 175.237 176.117 -0.042 0.000 0.999 355 I CA -0.441 60.783 61.300 -0.127 0.000 1.163 355 I CB 0.939 38.864 38.000 -0.125 0.000 1.316 355 I HN 0.386 nan 8.210 nan 0.000 0.454 356 L N 5.937 127.144 121.223 -0.026 0.000 2.337 356 L HA 0.455 4.795 4.340 0.000 0.000 0.269 356 L C 0.992 177.923 176.870 0.101 0.000 1.018 356 L CA 0.165 55.026 54.840 0.034 0.000 0.876 356 L CB 1.510 43.549 42.059 -0.035 0.000 1.236 356 L HN 0.710 nan 8.230 nan 0.000 0.436 357 A N 1.614 124.496 122.820 0.103 0.000 2.267 357 A HA 0.350 4.670 4.320 0.000 0.000 0.213 357 A C 0.128 177.822 177.584 0.184 0.000 1.192 357 A CA 0.613 52.736 52.037 0.144 0.000 0.851 357 A CB -0.380 18.690 19.000 0.118 0.000 0.881 357 A HN 0.650 nan 8.150 nan 0.000 0.494 358 D N -4.839 115.558 120.400 -0.005 0.000 2.692 358 D HA 0.416 5.056 4.640 0.000 0.000 0.303 358 D C 0.666 176.355 176.300 -1.019 0.000 1.278 358 D CA 0.170 53.980 54.000 -0.318 0.000 0.852 358 D CB 0.411 41.364 40.800 0.256 0.000 1.375 358 D HN -0.096 nan 8.370 nan 0.000 0.453 359 G N -1.230 106.825 108.800 -1.242 0.000 2.719 359 G HA2 0.048 4.008 3.960 0.000 0.000 0.211 359 G HA3 0.048 4.008 3.960 0.000 0.000 0.211 359 G C 1.067 175.851 174.900 -0.193 0.000 1.140 359 G CA 0.661 45.325 45.100 -0.726 0.000 0.790 359 G HN 0.538 nan 8.290 nan 0.000 0.529 360 S N -0.565 115.065 115.700 -0.116 0.000 2.446 360 S HA 0.330 4.800 4.470 0.000 0.000 0.225 360 S C 1.966 176.521 174.600 -0.074 0.000 1.016 360 S CA 1.186 59.354 58.200 -0.053 0.000 0.943 360 S CB -0.048 63.132 63.200 -0.032 0.000 0.786 360 S HN 1.428 nan 8.310 nan 0.000 0.508 361 G N 1.019 109.784 108.800 -0.059 0.000 2.157 361 G HA2 -0.226 3.734 3.960 0.000 0.000 0.248 361 G HA3 -0.226 3.734 3.960 0.000 0.000 0.248 361 G C 0.555 175.383 174.900 -0.120 0.000 0.979 361 G CA 0.368 45.426 45.100 -0.070 0.000 0.650 361 G HN 0.489 nan 8.290 nan 0.000 0.529 362 L N 0.832 121.939 121.223 -0.192 0.000 2.217 362 L HA 0.146 4.486 4.340 0.000 0.000 0.211 362 L C 2.063 178.770 176.870 -0.271 0.000 1.107 362 L CA 1.060 55.658 54.840 -0.403 0.000 0.783 362 L CB -0.218 41.219 42.059 -1.036 0.000 0.919 362 L HN 0.380 nan 8.230 nan 0.000 0.442 363 S N -0.000 115.709 115.700 0.014 0.000 2.549 363 S HA 0.022 4.492 4.470 0.000 0.000 0.286 363 S C 1.305 175.901 174.600 -0.007 0.000 1.314 363 S CA -0.511 57.780 58.200 0.151 0.000 1.062 363 S CB 0.540 63.855 63.200 0.191 0.000 0.865 363 S HN 0.162 nan 8.310 nan 0.000 0.498 364 R N 2.911 123.371 120.500 -0.067 0.000 2.323 364 R HA 0.025 4.365 4.340 0.000 0.000 0.198 364 R C 1.014 177.335 176.300 0.035 0.000 0.988 364 R CA 0.735 56.805 56.100 -0.051 0.000 1.041 364 R CB -0.545 29.716 30.300 -0.065 0.000 0.926 364 R HN 0.784 nan 8.270 nan 0.000 0.476 365 H N -0.557 118.524 119.070 0.019 0.000 2.548 365 H HA 0.093 4.649 4.556 0.000 0.000 0.268 365 H C 0.114 175.429 175.328 -0.022 0.000 0.975 365 H CA -0.408 55.638 56.048 -0.004 0.000 1.195 365 H CB 0.190 29.947 29.762 -0.008 0.000 1.397 365 H HN 0.203 nan 8.280 nan 0.000 0.572 366 N N 1.446 120.202 118.700 0.092 0.000 2.454 366 N HA 0.174 4.914 4.740 0.000 0.000 0.254 366 N C -1.082 174.424 175.510 -0.007 0.000 1.228 366 N CA 0.233 53.304 53.050 0.036 0.000 0.900 366 N CB 0.864 39.365 38.487 0.023 0.000 1.089 366 N HN 0.121 nan 8.380 nan 0.000 0.449 367 L N 2.444 123.635 121.223 -0.054 0.000 2.528 367 L HA 0.530 4.870 4.340 0.000 0.000 0.267 367 L C -1.321 175.504 176.870 -0.074 0.000 0.961 367 L CA -0.669 54.108 54.840 -0.104 0.000 0.866 367 L CB 1.832 43.683 42.059 -0.346 0.000 1.248 367 L HN 0.265 nan 8.230 nan 0.000 0.404 368 V N 2.438 122.470 119.914 0.197 0.000 3.012 368 V HA 0.843 4.963 4.120 0.000 0.000 0.307 368 V C -0.656 175.820 176.094 0.636 0.000 1.166 368 V CA -0.277 62.280 62.300 0.429 0.000 0.974 368 V CB 2.295 34.398 31.823 0.468 0.000 1.040 368 V HN 0.780 nan 8.190 nan 0.000 0.428 369 A N 6.431 129.631 122.820 0.633 0.000 2.316 369 A HA 0.746 5.066 4.320 0.000 0.000 0.284 369 A C -1.873 175.917 177.584 0.343 0.000 1.115 369 A CA -1.313 50.981 52.037 0.428 0.000 0.812 369 A CB 0.663 19.775 19.000 0.186 0.000 1.064 369 A HN 0.729 nan 8.150 nan 0.000 0.489 370 P HA -0.246 nan 4.420 nan 0.000 0.216 370 P C 1.278 178.523 177.300 -0.092 0.000 1.153 370 P CA 2.127 65.076 63.100 -0.250 0.000 0.858 370 P CB 0.018 31.547 31.700 -0.285 0.000 0.789 371 K N -1.261 119.132 120.400 -0.011 0.000 2.211 371 K HA -0.091 4.230 4.320 0.000 0.000 0.204 371 K C 1.549 178.168 176.600 0.032 0.000 1.047 371 K CA 1.738 58.024 56.287 -0.001 0.000 0.935 371 K CB -1.314 31.185 32.500 -0.002 0.000 0.728 371 K HN 0.037 nan 8.250 nan 0.000 0.452 372 T N 1.275 115.887 114.554 0.096 0.000 2.812 372 T HA -0.086 4.264 4.350 0.000 0.000 0.264 372 T C 1.666 176.487 174.700 0.201 0.000 1.042 372 T CA 1.388 63.552 62.100 0.106 0.000 1.140 372 T CB -0.176 68.806 68.868 0.189 0.000 0.870 372 T HN 0.217 nan 8.240 nan 0.000 0.445 373 M N 1.366 121.130 119.600 0.274 0.000 2.149 373 M HA 0.015 4.495 4.480 0.000 0.000 0.261 373 M C 1.914 178.248 176.300 0.058 0.000 1.064 373 M CA 1.259 56.683 55.300 0.207 0.000 1.102 373 M CB -0.706 31.957 32.600 0.105 0.000 1.369 373 M HN 0.208 nan 8.290 nan 0.000 0.408 374 L N -0.281 120.935 121.223 -0.013 0.000 2.046 374 L HA -0.154 4.187 4.340 0.000 0.000 0.208 374 L C 2.478 179.356 176.870 0.014 0.000 1.077 374 L CA 2.324 57.134 54.840 -0.050 0.000 0.747 374 L CB -1.060 40.965 42.059 -0.057 0.000 0.896 374 L HN 0.613 nan 8.230 nan 0.000 0.432 375 S N -1.640 114.084 115.700 0.039 0.000 2.383 375 S HA -0.183 4.287 4.470 0.000 0.000 0.229 375 S C 1.880 176.550 174.600 0.117 0.000 1.030 375 S CA 1.533 59.765 58.200 0.053 0.000 1.002 375 S CB -1.258 61.942 63.200 0.000 0.000 0.829 375 S HN 0.278 nan 8.310 nan 0.000 0.467 376 V N 2.112 122.120 119.914 0.156 0.000 2.379 376 V HA -0.042 4.079 4.120 0.000 0.000 0.245 376 V C 2.567 178.822 176.094 0.269 0.000 1.044 376 V CA 1.540 63.986 62.300 0.243 0.000 1.036 376 V CB -0.875 31.171 31.823 0.371 0.000 0.664 376 V HN 0.462 nan 8.190 nan 0.000 0.453 377 L N -0.209 121.109 121.223 0.158 0.000 2.083 377 L HA -0.208 4.132 4.340 0.000 0.000 0.209 377 L C 2.581 179.626 176.870 0.292 0.000 1.083 377 L CA 1.738 56.668 54.840 0.149 0.000 0.752 377 L CB -0.661 41.224 42.059 -0.290 0.000 0.899 377 L HN 0.400 nan 8.230 nan 0.000 0.433 378 E N -0.814 119.502 120.200 0.193 0.000 2.110 378 E HA -0.262 4.088 4.350 0.000 0.000 0.193 378 E C 2.017 178.723 176.600 0.176 0.000 0.988 378 E CA 1.316 57.824 56.400 0.181 0.000 0.804 378 E CB -0.177 29.593 29.700 0.117 0.000 0.745 378 E HN 0.449 nan 8.360 nan 0.000 0.458 379 Y N 1.333 121.690 120.300 0.094 0.000 2.181 379 Y HA -0.198 4.352 4.550 0.000 0.000 0.288 379 Y C 1.968 177.917 175.900 0.081 0.000 1.146 379 Y CA 1.344 59.489 58.100 0.075 0.000 1.164 379 Y CB -0.094 38.414 38.460 0.080 0.000 0.982 379 Y HN -0.060 nan 8.280 nan 0.000 0.515 380 I N -0.017 120.689 120.570 0.228 0.000 2.163 380 I HA -0.370 3.800 4.170 0.000 0.000 0.243 380 I C 2.621 178.699 176.117 -0.065 0.000 1.085 380 I CA 1.426 62.806 61.300 0.133 0.000 1.347 380 I CB -0.676 37.531 38.000 0.345 0.000 1.044 380 I HN 0.364 nan 8.210 nan 0.000 0.408 381 A N 0.360 123.143 122.820 -0.061 0.000 1.930 381 A HA -0.232 4.088 4.320 0.000 0.000 0.217 381 A C 2.362 179.839 177.584 -0.179 0.000 1.175 381 A CA 1.637 53.532 52.037 -0.237 0.000 0.627 381 A CB -0.459 18.413 19.000 -0.214 0.000 0.815 381 A HN 0.358 nan 8.150 nan 0.000 0.443 382 K N -0.260 120.054 120.400 -0.145 0.000 2.148 382 K HA -0.109 4.211 4.320 0.000 0.000 0.204 382 K C 0.401 176.870 176.600 -0.217 0.000 1.050 382 K CA 1.641 57.834 56.287 -0.156 0.000 0.942 382 K CB -0.159 32.264 32.500 -0.129 0.000 0.724 382 K HN 0.538 nan 8.250 nan 0.000 0.446 383 N N 0.555 119.065 118.700 -0.316 0.000 2.273 383 N HA -0.018 4.722 4.740 0.000 0.000 0.231 383 N C 0.382 175.737 175.510 -0.258 0.000 1.134 383 N CA -0.150 52.703 53.050 -0.330 0.000 0.856 383 N CB 0.810 38.969 38.487 -0.548 0.000 1.068 383 N HN 0.199 nan 8.380 nan 0.000 0.510 384 E N 1.318 121.388 120.200 -0.217 0.000 2.160 384 E HA -0.213 4.138 4.350 0.000 0.000 0.195 384 E C 0.789 177.233 176.600 -0.259 0.000 0.991 384 E CA 1.560 57.843 56.400 -0.195 0.000 0.810 384 E CB -0.034 29.568 29.700 -0.163 0.000 0.742 384 E HN 0.203 nan 8.360 nan 0.000 0.466 385 D N -0.116 120.159 120.400 -0.210 0.000 2.219 385 D HA -0.101 4.539 4.640 0.000 0.000 0.205 385 D C 1.523 177.593 176.300 -0.384 0.000 0.970 385 D CA 1.057 54.937 54.000 -0.200 0.000 0.851 385 D CB 0.018 40.765 40.800 -0.088 0.000 0.943 385 D HN 0.306 nan 8.370 nan 0.000 0.488 386 K N -0.446 119.744 120.400 -0.350 0.000 2.202 386 K HA 0.175 4.495 4.320 0.000 0.000 0.201 386 K C 2.131 178.484 176.600 -0.411 0.000 1.051 386 K CA 0.214 56.316 56.287 -0.308 0.000 0.977 386 K CB 0.334 32.745 32.500 -0.148 0.000 0.792 386 K HN 0.048 nan 8.250 nan 0.000 0.469 387 L N -0.090 120.919 121.223 -0.357 0.000 2.202 387 L HA 0.032 4.372 4.340 0.000 0.000 0.205 387 L C 0.023 176.835 176.870 -0.097 0.000 1.083 387 L CA 0.271 55.017 54.840 -0.157 0.000 0.790 387 L CB -0.338 41.697 42.059 -0.041 0.000 0.942 387 L HN 0.351 nan 8.230 nan 0.000 0.452 388 H N -0.615 118.469 119.070 0.023 0.000 2.741 388 H HA -0.170 4.386 4.556 0.000 0.000 0.305 388 H C 1.126 176.494 175.328 0.068 0.000 1.169 388 H CA 0.608 56.675 56.048 0.031 0.000 1.144 388 H CB -1.820 27.961 29.762 0.032 0.000 1.397 388 H HN 0.344 nan 8.280 nan 0.000 0.409 389 L N -0.605 120.713 121.223 0.159 0.000 2.529 389 L HA 0.005 4.346 4.340 0.000 0.000 0.223 389 L C 2.407 179.470 176.870 0.322 0.000 1.113 389 L CA 0.081 55.055 54.840 0.223 0.000 0.861 389 L CB -0.101 42.110 42.059 0.253 0.000 1.012 389 L HN 0.164 nan 8.230 nan 0.000 0.461 390 M N 0.151 119.860 119.600 0.182 0.000 2.149 390 M HA -0.211 4.269 4.480 0.000 0.000 0.261 390 M C 2.002 178.453 176.300 0.252 0.000 1.064 390 M CA 1.614 56.994 55.300 0.134 0.000 1.102 390 M CB -0.861 31.652 32.600 -0.145 0.000 1.369 390 M HN 0.389 nan 8.290 nan 0.000 0.408 391 E N 0.092 120.401 120.200 0.180 0.000 2.511 391 E HA -0.081 4.269 4.350 0.000 0.000 0.196 391 E C 1.326 178.023 176.600 0.162 0.000 1.066 391 E CA 1.362 57.850 56.400 0.147 0.000 0.871 391 E CB -0.470 29.287 29.700 0.095 0.000 0.863 391 E HN 0.564 nan 8.360 nan 0.000 0.520 392 T N -1.787 112.889 114.554 0.204 0.000 3.081 392 T HA 0.083 4.433 4.350 0.000 0.000 0.255 392 T C 0.376 175.100 174.700 0.040 0.000 1.113 392 T CA -0.411 61.743 62.100 0.089 0.000 1.082 392 T CB -0.478 68.396 68.868 0.010 0.000 0.939 392 T HN 0.054 nan 8.240 nan 0.000 0.506 393 F N 2.875 122.871 119.950 0.076 0.000 2.443 393 F HA 0.391 4.918 4.527 0.000 0.000 0.353 393 F C -2.074 173.761 175.800 0.060 0.000 1.101 393 F CA -2.648 55.399 58.000 0.078 0.000 1.226 393 F CB 0.368 39.442 39.000 0.124 0.000 1.140 393 F HN -0.054 nan 8.300 nan 0.000 0.557 394 P HA 0.020 nan 4.420 nan 0.000 0.265 394 P C -0.602 176.783 177.300 0.142 0.000 1.187 394 P CA 0.484 63.653 63.100 0.116 0.000 0.766 394 P CB 0.423 32.169 31.700 0.076 0.000 0.820 395 I N 1.690 122.317 120.570 0.095 0.000 2.378 395 I HA 0.392 4.562 4.170 0.000 0.000 0.291 395 I C 0.468 176.614 176.117 0.049 0.000 0.992 395 I CA -1.094 60.255 61.300 0.083 0.000 1.154 395 I CB 1.664 39.705 38.000 0.068 0.000 1.315 395 I HN 0.292 nan 8.210 nan 0.000 0.448 396 A N 4.541 127.383 122.820 0.037 0.000 2.548 396 A HA 0.400 4.720 4.320 0.000 0.000 0.247 396 A C 1.339 178.923 177.584 0.001 0.000 1.067 396 A CA 0.696 52.736 52.037 0.006 0.000 0.757 396 A CB -0.517 18.472 19.000 -0.020 0.000 0.996 396 A HN 1.313 nan 8.150 nan 0.000 0.504 397 G N 0.991 109.789 108.800 -0.004 0.000 2.166 397 G HA2 -0.219 3.741 3.960 0.000 0.000 0.260 397 G HA3 -0.219 3.741 3.960 0.000 0.000 0.260 397 G C 0.572 175.473 174.900 0.001 0.000 0.986 397 G CA 0.776 45.872 45.100 -0.006 0.000 0.683 397 G HN 1.384 nan 8.290 nan 0.000 0.527 398 V N -0.518 119.401 119.914 0.009 0.000 3.177 398 V HA 0.360 4.480 4.120 0.000 0.000 0.219 398 V C 0.708 176.812 176.094 0.015 0.000 1.344 398 V CA 1.612 63.920 62.300 0.013 0.000 1.324 398 V CB 0.705 32.540 31.823 0.020 0.000 1.165 398 V HN 0.704 nan 8.190 nan 0.000 0.510 399 D N -1.725 118.688 120.400 0.022 0.000 2.838 399 D HA 0.499 5.139 4.640 0.000 0.000 0.334 399 D C 0.599 176.912 176.300 0.023 0.000 1.315 399 D CA 0.229 54.242 54.000 0.021 0.000 0.917 399 D CB 0.808 41.623 40.800 0.025 0.000 1.435 399 D HN 0.580 nan 8.370 nan 0.000 0.517 400 G N -0.418 108.392 108.800 0.017 0.000 2.582 400 G HA2 -0.272 3.689 3.960 0.000 0.000 0.300 400 G HA3 -0.272 3.689 3.960 0.000 0.000 0.300 400 G C 0.966 175.869 174.900 0.005 0.000 1.300 400 G CA 2.047 47.154 45.100 0.011 0.000 0.959 400 G HN 1.502 nan 8.290 nan 0.000 0.548 401 T N -0.936 113.619 114.554 0.003 0.000 3.148 401 T HA 0.307 4.657 4.350 0.000 0.000 0.253 401 T C 1.885 176.588 174.700 0.004 0.000 1.134 401 T CA 1.524 63.621 62.100 -0.004 0.000 1.051 401 T CB -0.268 68.592 68.868 -0.013 0.000 0.959 401 T HN 1.400 nan 8.240 nan 0.000 0.525 402 I N -0.816 119.762 120.570 0.014 0.000 3.877 402 I HA 0.390 4.560 4.170 0.000 0.000 0.332 402 I C 1.731 177.850 176.117 0.004 0.000 1.525 402 I CA -0.435 60.870 61.300 0.010 0.000 1.146 402 I CB -0.074 37.937 38.000 0.017 0.000 1.137 402 I HN 0.122 nan 8.210 nan 0.000 0.424 403 S N 1.062 116.764 115.700 0.003 0.000 2.419 403 S HA -0.021 4.449 4.470 0.000 0.000 0.233 403 S C 1.549 176.145 174.600 -0.007 0.000 1.016 403 S CA 1.068 59.269 58.200 0.001 0.000 0.974 403 S CB -0.520 62.681 63.200 -0.000 0.000 0.786 403 S HN 0.624 nan 8.310 nan 0.000 0.492 404 G N 0.584 109.378 108.800 -0.010 0.000 4.250 404 G HA2 0.397 4.357 3.960 0.000 0.000 0.295 404 G HA3 0.397 4.357 3.960 0.000 0.000 0.295 404 G C -0.102 174.788 174.900 -0.017 0.000 1.081 404 G CA -0.883 44.208 45.100 -0.014 0.000 0.854 404 G HN 0.314 nan 8.290 nan 0.000 0.524 405 R N 0.837 121.327 120.500 -0.016 0.000 2.446 405 R HA 0.279 4.619 4.340 0.000 0.000 0.314 405 R C 1.750 178.038 176.300 -0.020 0.000 1.003 405 R CA 0.639 56.729 56.100 -0.017 0.000 1.018 405 R CB 0.463 30.753 30.300 -0.018 0.000 0.945 405 R HN 0.085 nan 8.270 nan 0.000 0.419 406 G N 3.010 111.798 108.800 -0.019 0.000 2.440 406 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 406 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 406 G C 1.146 176.038 174.900 -0.013 0.000 1.154 406 G CA 0.696 45.785 45.100 -0.017 0.000 0.767 406 G HN 0.726 nan 8.290 nan 0.000 0.552 407 G N -0.110 108.688 108.800 -0.003 0.000 2.650 407 G HA2 0.158 4.118 3.960 0.000 0.000 0.214 407 G HA3 0.158 4.118 3.960 0.000 0.000 0.214 407 G C 1.333 176.225 174.900 -0.014 0.000 1.136 407 G CA 0.150 45.254 45.100 0.007 0.000 0.789 407 G HN 0.439 nan 8.290 nan 0.000 0.536 408 L N 0.564 121.764 121.223 -0.039 0.000 2.858 408 L HA 0.252 4.592 4.340 0.000 0.000 0.251 408 L C 1.310 178.148 176.870 -0.052 0.000 1.149 408 L CA -0.188 54.612 54.840 -0.067 0.000 0.955 408 L CB 0.478 42.476 42.059 -0.101 0.000 1.289 408 L HN 0.197 nan 8.230 nan 0.000 0.542 409 I N -3.973 116.574 120.570 -0.039 0.000 3.812 409 I HA 0.224 4.394 4.170 0.000 0.000 0.320 409 I C 0.631 176.726 176.117 -0.037 0.000 1.276 409 I CA -0.107 61.173 61.300 -0.034 0.000 1.164 409 I CB -0.589 37.395 38.000 -0.025 0.000 1.009 409 I HN -0.121 nan 8.210 nan 0.000 0.431 410 S N 1.109 116.781 115.700 -0.047 0.000 2.607 410 S HA 0.652 5.122 4.470 0.000 0.000 0.303 410 S C -2.550 172.003 174.600 -0.077 0.000 1.086 410 S CA -1.053 57.115 58.200 -0.053 0.000 0.995 410 S CB 1.513 64.683 63.200 -0.050 0.000 1.084 410 S HN -0.003 nan 8.310 nan 0.000 0.507 411 P HA 0.139 nan 4.420 nan 0.000 0.267 411 P C -2.002 175.193 177.300 -0.175 0.000 1.200 411 P CA -0.828 62.200 63.100 -0.122 0.000 0.772 411 P CB 0.062 31.709 31.700 -0.089 0.000 0.855 412 P HA 0.145 nan 4.420 nan 0.000 0.258 412 P C 0.474 177.560 177.300 -0.358 0.000 1.416 412 P CA 0.436 63.253 63.100 -0.471 0.000 0.927 412 P CB 0.230 31.208 31.700 -1.204 0.000 1.444 413 L N -1.204 119.893 121.223 -0.210 0.000 2.357 413 L HA 0.147 4.487 4.340 0.000 0.000 0.211 413 L C 1.333 178.160 176.870 -0.072 0.000 1.075 413 L CA 0.124 54.893 54.840 -0.119 0.000 0.830 413 L CB -0.197 41.805 42.059 -0.095 0.000 0.996 413 L HN -0.163 nan 8.230 nan 0.000 0.467 414 V N 1.772 121.644 119.914 -0.070 0.000 2.740 414 V HA -0.007 4.113 4.120 0.000 0.000 0.303 414 V C 0.805 176.885 176.094 -0.023 0.000 1.054 414 V CA 0.186 62.461 62.300 -0.041 0.000 1.106 414 V CB 0.554 32.355 31.823 -0.038 0.000 0.957 414 V HN 0.555 nan 8.190 nan 0.000 0.486 415 K N 2.745 123.142 120.400 -0.004 0.000 3.407 415 K HA -0.231 4.089 4.320 0.000 0.000 0.312 415 K C 0.719 177.334 176.600 0.025 0.000 1.302 415 K CA 1.243 57.536 56.287 0.011 0.000 0.931 415 K CB -1.376 31.128 32.500 0.007 0.000 1.257 415 K HN 0.837 nan 8.250 nan 0.000 0.454 416 N N 0.227 118.945 118.700 0.029 0.000 2.804 416 N HA 0.017 4.758 4.740 0.000 0.000 0.250 416 N C -0.215 175.349 175.510 0.090 0.000 1.024 416 N CA 0.487 53.573 53.050 0.059 0.000 0.995 416 N CB 0.719 39.239 38.487 0.055 0.000 1.690 416 N HN -0.047 nan 8.380 nan 0.000 0.515 417 V N 3.705 123.661 119.914 0.071 0.000 2.599 417 V HA 0.158 4.279 4.120 0.000 0.000 0.300 417 V C 0.541 176.707 176.094 0.121 0.000 1.034 417 V CA 0.054 62.419 62.300 0.107 0.000 1.115 417 V CB -0.086 31.712 31.823 -0.041 0.000 0.934 417 V HN 0.317 nan 8.190 nan 0.000 0.485 418 I N 2.553 123.232 120.570 0.182 0.000 2.545 418 I HA 0.987 5.157 4.170 0.000 0.000 0.292 418 I C -0.420 175.830 176.117 0.221 0.000 1.040 418 I CA -0.718 60.695 61.300 0.189 0.000 1.068 418 I CB 2.118 40.229 38.000 0.185 0.000 1.251 418 I HN 0.638 nan 8.210 nan 0.000 0.424 419 A N 4.425 127.418 122.820 0.289 0.000 2.555 419 A HA 0.598 4.918 4.320 0.000 0.000 0.297 419 A C -1.327 176.429 177.584 0.287 0.000 1.060 419 A CA -0.810 51.406 52.037 0.298 0.000 0.710 419 A CB 1.700 20.853 19.000 0.255 0.000 1.282 419 A HN 0.768 nan 8.150 nan 0.000 0.399 420 K N 1.479 122.051 120.400 0.286 0.000 2.297 420 K HA 0.547 4.867 4.320 0.000 0.000 0.286 420 K C 0.520 177.167 176.600 0.079 0.000 1.053 420 K CA 0.570 56.900 56.287 0.071 0.000 0.940 420 K CB 0.505 32.966 32.500 -0.065 0.000 1.019 420 K HN 0.873 nan 8.250 nan 0.000 0.475 421 T N 0.444 115.022 114.554 0.040 0.000 2.874 421 T HA 0.660 5.010 4.350 0.000 0.000 0.281 421 T C 0.350 175.054 174.700 0.006 0.000 0.994 421 T CA -0.753 61.374 62.100 0.046 0.000 1.015 421 T CB 1.529 70.412 68.868 0.025 0.000 1.028 421 T HN 0.548 nan 8.240 nan 0.000 0.523 422 G N 0.446 109.249 108.800 0.005 0.000 2.737 422 G HA2 0.538 4.498 3.960 0.000 0.000 0.290 422 G HA3 0.538 4.498 3.960 0.000 0.000 0.290 422 G C -1.073 173.749 174.900 -0.130 0.000 1.482 422 G CA -0.714 44.345 45.100 -0.069 0.000 1.017 422 G HN 0.758 nan 8.290 nan 0.000 0.529 423 S N 1.360 116.943 115.700 -0.195 0.000 2.557 423 S HA 0.777 5.248 4.470 0.000 0.000 0.291 423 S C -0.409 173.979 174.600 -0.354 0.000 1.116 423 S CA -0.495 57.503 58.200 -0.336 0.000 0.992 423 S CB 1.482 64.530 63.200 -0.254 0.000 1.028 423 S HN 0.546 nan 8.310 nan 0.000 0.484 424 L N 1.213 122.178 121.223 -0.430 0.000 2.397 424 L HA 0.555 4.895 4.340 0.000 0.000 0.251 424 L C -0.229 176.420 176.870 -0.368 0.000 1.064 424 L CA -1.139 53.495 54.840 -0.343 0.000 0.859 424 L CB 1.483 43.388 42.059 -0.257 0.000 1.468 424 L HN 0.463 nan 8.230 nan 0.000 0.411 425 K N 0.520 120.772 120.400 -0.247 0.000 2.466 425 K HA 0.150 4.470 4.320 0.000 0.000 0.278 425 K C 0.844 177.354 176.600 -0.149 0.000 1.048 425 K CA 1.332 57.516 56.287 -0.171 0.000 1.088 425 K CB -0.030 32.410 32.500 -0.101 0.000 0.884 425 K HN 0.807 nan 8.250 nan 0.000 0.478 426 G N 2.054 110.791 108.800 -0.106 0.000 2.199 426 G HA2 -0.231 3.729 3.960 0.000 0.000 0.254 426 G HA3 -0.231 3.729 3.960 0.000 0.000 0.254 426 G C -0.321 174.522 174.900 -0.094 0.000 0.982 426 G CA 0.082 45.181 45.100 -0.000 0.000 0.632 426 G HN 0.530 nan 8.290 nan 0.000 0.529 427 V N 0.480 120.119 119.914 -0.458 0.000 2.525 427 V HA 0.653 4.773 4.120 0.000 0.000 0.299 427 V C -1.101 174.504 176.094 -0.815 0.000 1.034 427 V CA -0.898 61.163 62.300 -0.398 0.000 0.863 427 V CB 1.618 33.258 31.823 -0.304 0.000 0.999 427 V HN 0.256 nan 8.190 nan 0.000 0.423 428 Y N 3.753 123.995 120.300 -0.096 0.000 2.594 428 Y HA 0.550 5.100 4.550 0.000 0.000 0.338 428 Y C 0.201 176.124 175.900 0.039 0.000 1.019 428 Y CA -0.871 57.173 58.100 -0.094 0.000 1.306 428 Y CB 1.205 39.527 38.460 -0.230 0.000 1.094 428 Y HN 0.579 nan 8.280 nan 0.000 0.534 429 N N 3.050 121.837 118.700 0.145 0.000 2.335 429 N HA 0.719 5.459 4.740 0.000 0.000 0.304 429 N C -1.271 174.391 175.510 0.253 0.000 1.135 429 N CA -0.686 52.521 53.050 0.261 0.000 0.817 429 N CB 2.346 40.989 38.487 0.260 0.000 1.294 429 N HN 0.440 nan 8.380 nan 0.000 0.497 430 L N 0.382 121.801 121.223 0.327 0.000 2.422 430 L HA 0.830 5.170 4.340 0.000 0.000 0.264 430 L C -0.836 176.226 176.870 0.320 0.000 0.984 430 L CA -0.997 54.029 54.840 0.311 0.000 0.819 430 L CB 2.149 44.419 42.059 0.352 0.000 1.330 430 L HN 0.569 nan 8.230 nan 0.000 0.410 431 A N 1.698 124.625 122.820 0.177 0.000 2.375 431 A HA 0.959 5.279 4.320 0.000 0.000 0.295 431 A C -0.285 177.109 177.584 -0.317 0.000 1.066 431 A CA 0.180 52.170 52.037 -0.078 0.000 0.722 431 A CB 1.719 20.713 19.000 -0.010 0.000 1.206 431 A HN 0.895 nan 8.150 nan 0.000 0.435 432 G N 0.409 108.504 108.800 -1.175 0.000 2.393 432 G HA2 0.602 4.562 3.960 0.000 0.000 0.264 432 G HA3 0.602 4.562 3.960 0.000 0.000 0.264 432 G C -1.628 172.036 174.900 -2.060 0.000 1.221 432 G CA -0.420 43.868 45.100 -1.354 0.000 0.912 432 G HN 0.752 nan 8.290 nan 0.000 0.483 433 F N 0.218 119.738 119.950 -0.717 0.000 2.626 433 F HA 0.852 5.379 4.527 0.000 0.000 0.311 433 F C 0.376 176.256 175.800 0.132 0.000 1.088 433 F CA -0.776 57.059 58.000 -0.275 0.000 0.949 433 F CB 2.513 41.340 39.000 -0.289 0.000 1.322 433 F HN 0.746 nan 8.300 nan 0.000 0.461 434 M N -0.735 119.117 119.600 0.421 0.000 2.721 434 M HA 0.707 5.188 4.480 0.000 0.000 0.271 434 M C -1.707 174.736 176.300 0.238 0.000 1.259 434 M CA -0.698 54.797 55.300 0.325 0.000 0.835 434 M CB 2.304 35.116 32.600 0.354 0.000 1.689 434 M HN 0.383 nan 8.290 nan 0.000 0.470 435 T N 2.383 117.056 114.554 0.199 0.000 2.795 435 T HA 0.440 4.790 4.350 0.000 0.000 0.282 435 T C -0.215 174.586 174.700 0.169 0.000 0.980 435 T CA -0.647 61.544 62.100 0.151 0.000 1.012 435 T CB 0.759 69.699 68.868 0.121 0.000 0.936 435 T HN 0.778 nan 8.240 nan 0.000 0.457 436 N N 1.770 120.492 118.700 0.035 0.000 2.418 436 N HA 0.404 5.144 4.740 0.000 0.000 0.283 436 N C 1.354 176.584 175.510 -0.466 0.000 1.267 436 N CA -0.521 52.401 53.050 -0.214 0.000 0.975 436 N CB 0.070 38.473 38.487 -0.141 0.000 1.167 436 N HN 0.464 nan 8.380 nan 0.000 0.581 437 A N -0.425 121.843 122.820 -0.920 0.000 2.070 437 A HA -0.088 4.232 4.320 0.000 0.000 0.220 437 A C 1.881 179.323 177.584 -0.237 0.000 1.159 437 A CA 0.893 52.531 52.037 -0.665 0.000 0.656 437 A CB -0.562 18.084 19.000 -0.589 0.000 0.800 437 A HN 0.686 nan 8.150 nan 0.000 0.453 438 R N -1.543 118.849 120.500 -0.180 0.000 2.310 438 R HA 0.198 4.538 4.340 0.000 0.000 0.202 438 R C 1.256 177.527 176.300 -0.049 0.000 0.933 438 R CA 0.520 56.569 56.100 -0.085 0.000 1.054 438 R CB -0.019 30.243 30.300 -0.064 0.000 0.985 438 R HN 0.650 nan 8.270 nan 0.000 0.489 439 G N 1.614 110.387 108.800 -0.045 0.000 2.143 439 G HA2 -0.289 3.671 3.960 0.000 0.000 0.249 439 G HA3 -0.289 3.671 3.960 0.000 0.000 0.249 439 G C -0.266 174.634 174.900 -0.000 0.000 0.981 439 G CA -0.034 45.062 45.100 -0.006 0.000 0.665 439 G HN 0.386 nan 8.290 nan 0.000 0.528 440 E N 0.024 120.221 120.200 -0.006 0.000 2.283 440 E HA 0.509 4.859 4.350 0.000 0.000 0.271 440 E C 0.255 176.876 176.600 0.035 0.000 1.031 440 E CA -0.620 55.787 56.400 0.011 0.000 0.868 440 E CB 1.191 30.898 29.700 0.011 0.000 1.094 440 E HN 0.228 nan 8.360 nan 0.000 0.401 441 K N 1.641 122.066 120.400 0.042 0.000 2.201 441 K HA 0.317 4.637 4.320 0.000 0.000 0.278 441 K C -1.264 175.404 176.600 0.112 0.000 1.027 441 K CA -0.420 55.911 56.287 0.074 0.000 0.909 441 K CB 0.867 33.388 32.500 0.034 0.000 1.062 441 K HN 0.213 nan 8.250 nan 0.000 0.465 442 V N 3.190 123.208 119.914 0.174 0.000 2.495 442 V HA 0.516 4.636 4.120 0.000 0.000 0.298 442 V C -0.388 175.847 176.094 0.235 0.000 1.031 442 V CA -0.907 61.507 62.300 0.189 0.000 0.871 442 V CB 1.428 33.373 31.823 0.204 0.000 0.988 442 V HN 0.948 nan 8.190 nan 0.000 0.432 443 A N 5.284 128.179 122.820 0.124 0.000 2.312 443 A HA 1.015 5.335 4.320 0.000 0.000 0.328 443 A C -0.872 176.640 177.584 -0.121 0.000 1.158 443 A CA -0.357 51.578 52.037 -0.169 0.000 0.821 443 A CB 0.820 19.748 19.000 -0.121 0.000 1.170 443 A HN 1.088 nan 8.150 nan 0.000 0.490 444 F N -0.463 119.354 119.950 -0.221 0.000 2.654 444 F HA 0.733 5.260 4.527 0.000 0.000 0.308 444 F C -1.279 174.436 175.800 -0.141 0.000 1.108 444 F CA -1.371 56.560 58.000 -0.115 0.000 0.957 444 F CB 1.223 40.234 39.000 0.017 0.000 1.309 444 F HN 0.309 nan 8.300 nan 0.000 0.446 445 V N 2.269 122.240 119.914 0.095 0.000 2.577 445 V HA 0.490 4.610 4.120 0.000 0.000 0.303 445 V C -1.099 175.009 176.094 0.023 0.000 1.042 445 V CA -0.555 61.715 62.300 -0.051 0.000 0.872 445 V CB 1.617 33.223 31.823 -0.362 0.000 0.998 445 V HN 0.929 nan 8.190 nan 0.000 0.423 446 Q N 4.304 124.199 119.800 0.159 0.000 2.339 446 Q HA 0.542 4.883 4.340 0.000 0.000 0.268 446 Q C -2.119 174.076 176.000 0.325 0.000 1.027 446 Q CA -0.542 55.402 55.803 0.236 0.000 0.759 446 Q CB 1.349 30.331 28.738 0.408 0.000 1.244 446 Q HN 0.552 nan 8.270 nan 0.000 0.464 447 F N 4.442 124.499 119.950 0.178 0.000 2.427 447 F HA 0.538 5.065 4.527 0.000 0.000 0.346 447 F C -0.009 175.859 175.800 0.113 0.000 1.120 447 F CA -1.278 56.799 58.000 0.129 0.000 1.033 447 F CB 1.130 40.196 39.000 0.110 0.000 1.126 447 F HN 0.428 nan 8.300 nan 0.000 0.462 448 I N 4.293 125.032 120.570 0.282 0.000 2.436 448 I HA 0.377 4.547 4.170 0.000 0.000 0.289 448 I C -0.548 175.650 176.117 0.135 0.000 1.010 448 I CA -0.536 60.870 61.300 0.178 0.000 1.098 448 I CB 1.692 39.786 38.000 0.157 0.000 1.266 448 I HN 0.460 nan 8.210 nan 0.000 0.434 449 N N 2.571 121.343 118.700 0.120 0.000 2.629 449 N HA 0.575 5.315 4.740 0.000 0.000 0.279 449 N C 0.507 176.081 175.510 0.107 0.000 1.344 449 N CA 0.133 53.229 53.050 0.077 0.000 0.789 449 N CB 1.853 40.367 38.487 0.045 0.000 1.508 449 N HN 0.798 nan 8.380 nan 0.000 0.516 450 G N -0.463 108.390 108.800 0.088 0.000 2.155 450 G HA2 -0.304 3.656 3.960 0.000 0.000 0.257 450 G HA3 -0.304 3.656 3.960 0.000 0.000 0.257 450 G C -0.372 174.610 174.900 0.137 0.000 0.983 450 G CA 0.422 45.576 45.100 0.090 0.000 0.676 450 G HN 0.598 nan 8.290 nan 0.000 0.528 451 Y N 1.330 121.668 120.300 0.063 0.000 2.436 451 Y HA 0.513 5.063 4.550 0.000 0.000 0.343 451 Y C 0.395 176.348 175.900 0.088 0.000 1.008 451 Y CA 0.314 58.470 58.100 0.093 0.000 1.241 451 Y CB 0.923 39.522 38.460 0.231 0.000 1.153 451 Y HN 0.209 nan 8.280 nan 0.000 0.521 452 S N 3.627 119.345 115.700 0.029 0.000 2.619 452 S HA 0.289 4.759 4.470 0.000 0.000 0.280 452 S C 0.131 174.691 174.600 -0.065 0.000 1.150 452 S CA -0.143 58.091 58.200 0.056 0.000 0.978 452 S CB 0.911 64.128 63.200 0.029 0.000 1.041 452 S HN 0.818 nan 8.310 nan 0.000 0.485 453 T N 0.812 115.370 114.554 0.005 0.000 3.091 453 T HA 0.631 4.981 4.350 0.000 0.000 0.277 453 T C 0.791 175.488 174.700 -0.004 0.000 0.996 453 T CA 0.307 62.387 62.100 -0.033 0.000 0.897 453 T CB 0.311 69.177 68.868 -0.004 0.000 1.109 453 T HN 1.088 nan 8.240 nan 0.000 0.534 454 G N 1.528 110.335 108.800 0.012 0.000 2.335 454 G HA2 0.414 4.374 3.960 0.000 0.000 0.291 454 G HA3 0.414 4.374 3.960 0.000 0.000 0.291 454 G C -1.969 172.939 174.900 0.014 0.000 1.261 454 G CA -0.248 44.857 45.100 0.008 0.000 0.871 454 G HN 0.371 nan 8.290 nan 0.000 0.491 455 D N -0.158 120.247 120.400 0.009 0.000 2.363 455 D HA 0.266 4.906 4.640 0.000 0.000 0.240 455 D C 1.836 178.144 176.300 0.014 0.000 1.236 455 D CA -0.470 53.536 54.000 0.010 0.000 0.927 455 D CB 0.468 41.271 40.800 0.004 0.000 1.150 455 D HN 0.218 nan 8.370 nan 0.000 0.458 456 L N 0.258 121.489 121.223 0.012 0.000 2.043 456 L HA -0.099 4.241 4.340 0.000 0.000 0.212 456 L C 2.238 179.109 176.870 0.003 0.000 1.075 456 L CA 1.761 56.607 54.840 0.010 0.000 0.752 456 L CB -1.709 40.356 42.059 0.009 0.000 0.891 456 L HN 0.522 nan 8.230 nan 0.000 0.432 457 E N -0.766 119.434 120.200 0.001 0.000 2.478 457 E HA 0.092 4.442 4.350 0.000 0.000 0.194 457 E C 0.729 177.328 176.600 -0.002 0.000 1.045 457 E CA -0.023 56.374 56.400 -0.004 0.000 0.868 457 E CB 0.232 29.929 29.700 -0.005 0.000 0.885 457 E HN 0.351 nan 8.360 nan 0.000 0.505 458 S N 1.116 116.818 115.700 0.004 0.000 2.593 458 S HA 0.088 4.558 4.470 0.000 0.000 0.269 458 S C -0.204 174.403 174.600 0.011 0.000 1.334 458 S CA -0.400 57.803 58.200 0.006 0.000 1.015 458 S CB 0.487 63.691 63.200 0.008 0.000 0.912 458 S HN 0.151 nan 8.310 nan 0.000 0.541 459 K N 1.035 121.440 120.400 0.009 0.000 2.322 459 K HA 0.247 4.567 4.320 0.000 0.000 0.283 459 K C -0.302 176.316 176.600 0.030 0.000 1.042 459 K CA -0.321 55.973 56.287 0.012 0.000 0.958 459 K CB 0.002 32.502 32.500 0.000 0.000 0.984 459 K HN 0.253 nan 8.250 nan 0.000 0.473 460 T N 3.340 117.925 114.554 0.053 0.000 2.916 460 T HA 0.028 4.378 4.350 0.000 0.000 0.303 460 T C -0.031 174.705 174.700 0.061 0.000 1.025 460 T CA -0.251 61.906 62.100 0.096 0.000 1.142 460 T CB 0.321 69.290 68.868 0.168 0.000 0.947 460 T HN 0.387 nan 8.240 nan 0.000 0.544 461 K N 3.591 124.040 120.400 0.082 0.000 2.316 461 K HA 0.198 4.519 4.320 0.000 0.000 0.289 461 K C 1.073 177.713 176.600 0.068 0.000 1.070 461 K CA -0.251 56.066 56.287 0.050 0.000 0.928 461 K CB 0.968 33.489 32.500 0.034 0.000 1.039 461 K HN 0.491 nan 8.250 nan 0.000 0.480 462 R N 1.704 122.196 120.500 -0.013 0.000 2.297 462 R HA 0.005 4.345 4.340 0.000 0.000 0.197 462 R C 1.855 178.151 176.300 -0.007 0.000 0.943 462 R CA 0.421 56.478 56.100 -0.073 0.000 1.038 462 R CB 0.070 30.291 30.300 -0.132 0.000 0.957 462 R HN 0.660 nan 8.270 nan 0.000 0.484 463 A N 2.526 125.354 122.820 0.014 0.000 1.908 463 A HA -0.084 4.236 4.320 0.000 0.000 0.218 463 A C -0.463 177.147 177.584 0.042 0.000 1.181 463 A CA 1.132 53.179 52.037 0.017 0.000 0.627 463 A CB -1.135 17.869 19.000 0.008 0.000 0.818 463 A HN 0.135 nan 8.150 nan 0.000 0.445 464 P HA -0.150 nan 4.420 nan 0.000 0.215 464 P C 1.658 179.053 177.300 0.158 0.000 1.153 464 P CA 0.890 64.037 63.100 0.078 0.000 0.853 464 P CB -0.083 31.617 31.700 0.002 0.000 0.788 465 L N -0.512 120.824 121.223 0.189 0.000 2.042 465 L HA -0.154 4.186 4.340 0.000 0.000 0.210 465 L C 2.178 179.136 176.870 0.147 0.000 1.076 465 L CA 1.878 56.805 54.840 0.145 0.000 0.749 465 L CB -1.146 40.819 42.059 -0.157 0.000 0.893 465 L HN -0.186 nan 8.230 nan 0.000 0.432 466 V N -0.545 119.411 119.914 0.070 0.000 2.343 466 V HA -0.316 3.804 4.120 0.000 0.000 0.247 466 V C 2.549 178.684 176.094 0.068 0.000 1.051 466 V CA 2.059 64.389 62.300 0.052 0.000 1.036 466 V CB -0.602 31.230 31.823 0.015 0.000 0.654 466 V HN 0.567 nan 8.190 nan 0.000 0.451 467 Q N -1.269 118.578 119.800 0.079 0.000 2.079 467 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 467 Q C 2.177 178.223 176.000 0.078 0.000 0.974 467 Q CA 1.857 57.696 55.803 0.060 0.000 0.840 467 Q CB -0.243 28.530 28.738 0.058 0.000 0.898 467 Q HN 0.678 nan 8.270 nan 0.000 0.430 468 F N 2.041 121.995 119.950 0.006 0.000 2.102 468 F HA -0.189 4.338 4.527 0.000 0.000 0.298 468 F C 1.874 177.670 175.800 -0.007 0.000 1.105 468 F CA 1.604 59.601 58.000 -0.005 0.000 1.239 468 F CB 0.062 39.077 39.000 0.025 0.000 0.991 468 F HN 0.010 nan 8.300 nan 0.000 0.474 469 E N -0.010 120.233 120.200 0.071 0.000 2.047 469 E HA -0.231 4.119 4.350 0.000 0.000 0.191 469 E C 2.362 178.972 176.600 0.017 0.000 0.987 469 E CA 1.004 57.444 56.400 0.066 0.000 0.799 469 E CB -0.362 29.494 29.700 0.260 0.000 0.752 469 E HN 0.372 nan 8.360 nan 0.000 0.449 470 R N 1.053 121.554 120.500 0.003 0.000 2.103 470 R HA -0.184 4.156 4.340 0.000 0.000 0.242 470 R C 1.890 178.133 176.300 -0.095 0.000 1.142 470 R CA 1.678 57.764 56.100 -0.023 0.000 0.960 470 R CB -0.103 30.184 30.300 -0.022 0.000 0.858 470 R HN 0.145 nan 8.270 nan 0.000 0.439 471 N N 0.920 119.518 118.700 -0.168 0.000 2.084 471 N HA -0.185 4.555 4.740 0.000 0.000 0.190 471 N C 1.798 177.105 175.510 -0.339 0.000 1.030 471 N CA 1.138 54.056 53.050 -0.220 0.000 0.849 471 N CB -0.439 37.926 38.487 -0.205 0.000 1.012 471 N HN 0.188 nan 8.380 nan 0.000 0.423 472 L N 0.670 121.530 121.223 -0.606 0.000 2.012 472 L HA -0.143 4.198 4.340 0.000 0.000 0.210 472 L C 1.792 178.226 176.870 -0.727 0.000 1.073 472 L CA 1.648 56.009 54.840 -0.799 0.000 0.748 472 L CB -0.990 40.314 42.059 -1.257 0.000 0.891 472 L HN 0.103 nan 8.230 nan 0.000 0.431 473 Y N -0.299 119.817 120.300 -0.308 0.000 2.314 473 Y HA -0.093 4.457 4.550 0.000 0.000 0.293 473 Y C 2.587 178.415 175.900 -0.120 0.000 1.129 473 Y CA 1.223 59.171 58.100 -0.252 0.000 1.201 473 Y CB -0.765 37.524 38.460 -0.284 0.000 0.999 473 Y HN 0.326 nan 8.280 nan 0.000 0.541 474 N N 0.278 118.956 118.700 -0.037 0.000 2.120 474 N HA -0.159 4.581 4.740 0.000 0.000 0.188 474 N C 1.556 177.086 175.510 0.035 0.000 1.024 474 N CA 1.258 54.315 53.050 0.011 0.000 0.852 474 N CB -0.063 38.410 38.487 -0.024 0.000 1.003 474 N HN 0.410 nan 8.380 nan 0.000 0.424 475 E N 1.218 121.377 120.200 -0.068 0.000 2.110 475 E HA -0.080 4.270 4.350 0.000 0.000 0.193 475 E C 2.272 178.878 176.600 0.009 0.000 0.988 475 E CA 0.389 56.769 56.400 -0.034 0.000 0.804 475 E CB -0.314 29.322 29.700 -0.106 0.000 0.745 475 E HN 0.408 nan 8.360 nan 0.000 0.458 476 L N -0.238 120.948 121.223 -0.061 0.000 2.093 476 L HA -0.178 4.162 4.340 0.000 0.000 0.208 476 L C 2.524 179.454 176.870 0.100 0.000 1.085 476 L CA 1.035 55.863 54.840 -0.019 0.000 0.755 476 L CB -0.455 41.559 42.059 -0.076 0.000 0.904 476 L HN 0.112 nan 8.230 nan 0.000 0.435 477 Y N 1.007 121.317 120.300 0.016 0.000 2.242 477 Y HA -0.218 4.332 4.550 0.000 0.000 0.291 477 Y C 2.269 178.198 175.900 0.049 0.000 1.137 477 Y CA 1.568 59.693 58.100 0.041 0.000 1.181 477 Y CB 0.043 38.520 38.460 0.028 0.000 0.989 477 Y HN 0.014 nan 8.280 nan 0.000 0.527 478 K N -1.350 119.105 120.400 0.091 0.000 2.379 478 K HA -0.036 4.284 4.320 0.000 0.000 0.194 478 K C 0.304 176.914 176.600 0.016 0.000 1.031 478 K CA -0.162 56.136 56.287 0.019 0.000 1.037 478 K CB -0.039 32.513 32.500 0.087 0.000 0.824 478 K HN 0.188 nan 8.250 nan 0.000 0.516 479 Y N 0.000 120.264 120.300 -0.060 0.000 2.660 479 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 479 Y CA 0.000 58.069 58.100 -0.052 0.000 1.940 479 Y CB 0.000 38.434 38.460 -0.043 0.000 1.050 479 Y HN 0.000 nan 8.280 nan 0.000 0.758