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 2bhs_1_A DATA FIRST_RESID 2 DATA SEQUENCE STLEQTIGNT PLVKLQRMGP DNGSEVWLKL EGNNPAGSVK DRAALSMIVE DATA SEQUENCE AEKRGEIKPG DVLIEATSGN TGIALAMIAA LKGYRMKLLM PDNMSQERRA DATA SEQUENCE AMRAYGAELI LVTKEQGMEG ARDLALEMAN RGEGKLLDQF NNPDNPYAHY DATA SEQUENCE TTTGPEIWQQ TGGRITHFVS SMGTTGTITG VSRFMREQSK PVTIVGLQPE DATA SEQUENCE EGSSIPGIRR WPTEYLPGIF NASLVDEVLD IHQRDAENTM RELAVREGIF DATA SEQUENCE CGVSSGGAVA GALRVAKANP DAVVVAIICD RGDRYLSTGV FG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.605 174.600 0.009 0.000 1.055 2 S CA 0.000 58.205 58.200 0.008 0.000 1.107 2 S CB 0.000 63.205 63.200 0.009 0.000 0.593 3 T N 0.590 115.150 114.554 0.010 0.000 3.087 3 T HA 0.448 4.798 4.350 -0.000 0.000 0.351 3 T C 0.737 175.445 174.700 0.014 0.000 1.520 3 T CA -1.072 61.036 62.100 0.013 0.000 1.111 3 T CB 1.043 69.918 68.868 0.011 0.000 1.353 3 T HN 0.416 nan 8.240 nan 0.000 0.481 4 L N 0.737 121.971 121.223 0.019 0.000 2.064 4 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 4 L C 2.569 179.445 176.870 0.010 0.000 1.077 4 L CA 2.057 56.909 54.840 0.020 0.000 0.766 4 L CB -0.426 41.650 42.059 0.027 0.000 0.890 4 L HN 0.831 nan 8.230 nan 0.000 0.435 5 E N -0.303 119.901 120.200 0.006 0.000 2.086 5 E HA -0.304 4.046 4.350 -0.000 0.000 0.200 5 E C 2.085 178.681 176.600 -0.006 0.000 1.012 5 E CA 1.627 58.026 56.400 -0.002 0.000 0.812 5 E CB -0.202 29.498 29.700 0.001 0.000 0.743 5 E HN 0.559 nan 8.360 nan 0.000 0.453 6 Q N -0.410 119.388 119.800 -0.002 0.000 2.437 6 Q HA -0.063 4.277 4.340 -0.000 0.000 0.210 6 Q C 1.843 177.841 176.000 -0.003 0.000 0.972 6 Q CA 1.404 57.204 55.803 -0.005 0.000 0.903 6 Q CB -0.033 28.703 28.738 -0.003 0.000 0.967 6 Q HN 0.410 nan 8.270 nan 0.000 0.486 7 T N -2.183 112.372 114.554 0.002 0.000 3.100 7 T HA 0.135 4.485 4.350 -0.000 0.000 0.253 7 T C 0.666 175.369 174.700 0.005 0.000 1.118 7 T CA -0.173 61.931 62.100 0.007 0.000 1.058 7 T CB -0.054 68.824 68.868 0.015 0.000 0.953 7 T HN 0.019 nan 8.240 nan 0.000 0.515 8 I N 2.369 122.937 120.570 -0.004 0.000 2.529 8 I HA 0.492 4.662 4.170 -0.000 0.000 0.284 8 I C 1.430 177.537 176.117 -0.017 0.000 1.082 8 I CA 0.585 61.879 61.300 -0.010 0.000 1.406 8 I CB 0.291 38.278 38.000 -0.023 0.000 1.405 8 I HN 0.590 nan 8.210 nan 0.000 0.548 9 G N 4.769 113.563 108.800 -0.009 0.000 2.693 9 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.226 9 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.226 9 G C 0.083 174.979 174.900 -0.007 0.000 1.354 9 G CA -0.115 44.977 45.100 -0.013 0.000 0.873 9 G HN 0.883 nan 8.290 nan 0.000 0.562 10 N N -0.262 118.429 118.700 -0.016 0.000 2.714 10 N HA -0.181 4.559 4.740 -0.000 0.000 0.252 10 N C 0.629 176.144 175.510 0.008 0.000 1.014 10 N CA 1.740 54.783 53.050 -0.011 0.000 0.735 10 N CB -1.040 37.438 38.487 -0.015 0.000 0.924 10 N HN 1.409 nan 8.380 nan 0.000 0.540 11 T N -2.808 111.758 114.554 0.020 0.000 2.868 11 T HA 0.470 4.820 4.350 -0.000 0.000 0.292 11 T C -2.228 172.499 174.700 0.045 0.000 1.028 11 T CA -1.553 60.570 62.100 0.037 0.000 1.059 11 T CB 1.390 70.289 68.868 0.050 0.000 0.991 11 T HN -0.164 nan 8.240 nan 0.000 0.531 12 P HA 0.337 nan 4.420 nan 0.000 0.269 12 P C -1.005 176.355 177.300 0.100 0.000 1.215 12 P CA -0.621 62.523 63.100 0.073 0.000 0.780 12 P CB 0.322 32.067 31.700 0.076 0.000 0.898 13 L N 3.567 124.868 121.223 0.129 0.000 2.343 13 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 13 L C -1.262 175.834 176.870 0.376 0.000 0.996 13 L CA -0.412 54.554 54.840 0.210 0.000 0.831 13 L CB 1.473 43.605 42.059 0.122 0.000 1.232 13 L HN 0.030 nan 8.230 nan 0.000 0.413 14 V N 5.264 125.390 119.914 0.354 0.000 2.444 14 V HA 0.399 4.519 4.120 -0.000 0.000 0.294 14 V C 0.028 176.148 176.094 0.042 0.000 1.022 14 V CA -0.914 61.526 62.300 0.232 0.000 0.850 14 V CB 1.758 33.644 31.823 0.106 0.000 0.992 14 V HN 0.678 nan 8.190 nan 0.000 0.426 15 K N 4.287 124.441 120.400 -0.410 0.000 2.326 15 K HA 0.394 4.714 4.320 -0.000 0.000 0.275 15 K C -0.454 175.875 176.600 -0.453 0.000 1.018 15 K CA -0.432 55.269 56.287 -0.976 0.000 0.962 15 K CB 0.561 32.091 32.500 -1.618 0.000 0.953 15 K HN 0.566 nan 8.250 nan 0.000 0.475 16 L N 4.667 125.669 121.223 -0.369 0.000 2.410 16 L HA -0.008 4.332 4.340 -0.000 0.000 0.273 16 L C 1.335 178.080 176.870 -0.209 0.000 1.152 16 L CA -0.122 54.592 54.840 -0.210 0.000 0.855 16 L CB 0.988 42.959 42.059 -0.147 0.000 1.129 16 L HN 0.720 nan 8.230 nan 0.000 0.463 17 Q N 2.369 122.084 119.800 -0.143 0.000 2.392 17 Q HA 0.115 4.455 4.340 -0.000 0.000 0.219 17 Q C 1.411 177.363 176.000 -0.081 0.000 0.895 17 Q CA 0.723 56.455 55.803 -0.117 0.000 0.929 17 Q CB 0.841 29.523 28.738 -0.094 0.000 1.077 17 Q HN 0.637 nan 8.270 nan 0.000 0.532 18 R N -1.157 119.302 120.500 -0.067 0.000 2.320 18 R HA 0.342 4.682 4.340 -0.000 0.000 0.193 18 R C 0.754 177.028 176.300 -0.043 0.000 0.885 18 R CA 0.022 56.093 56.100 -0.047 0.000 1.085 18 R CB 0.588 30.867 30.300 -0.035 0.000 1.253 18 R HN 0.131 nan 8.270 nan 0.000 0.636 19 M N 0.552 120.124 119.600 -0.046 0.000 2.228 19 M HA 0.310 4.790 4.480 -0.000 0.000 0.326 19 M C 0.668 176.942 176.300 -0.044 0.000 1.122 19 M CA 0.480 55.757 55.300 -0.039 0.000 1.161 19 M CB 0.993 33.572 32.600 -0.036 0.000 1.437 19 M HN 0.385 nan 8.290 nan 0.000 0.465 20 G N 1.395 110.174 108.800 -0.036 0.000 2.710 20 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.668 20 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.668 20 G C -2.528 172.353 174.900 -0.031 0.000 1.320 20 G CA -0.893 44.186 45.100 -0.035 0.000 0.860 20 G HN 0.551 nan 8.290 nan 0.000 0.538 21 P HA 0.177 nan 4.420 nan 0.000 0.220 21 P C 0.511 177.799 177.300 -0.019 0.000 1.152 21 P CA 1.531 64.618 63.100 -0.021 0.000 0.812 21 P CB 0.018 31.706 31.700 -0.019 0.000 0.792 22 D N 0.485 120.872 120.400 -0.021 0.000 3.133 22 D HA -0.132 4.508 4.640 -0.000 0.000 0.239 22 D C -0.593 175.702 176.300 -0.009 0.000 1.136 22 D CA 0.873 54.863 54.000 -0.017 0.000 0.898 22 D CB -1.876 38.914 40.800 -0.017 0.000 0.959 22 D HN 0.325 nan 8.370 nan 0.000 0.415 23 N N 1.666 120.363 118.700 -0.005 0.000 2.471 23 N HA 0.400 5.140 4.740 -0.000 0.000 0.270 23 N C 1.377 176.893 175.510 0.010 0.000 1.490 23 N CA 0.345 53.397 53.050 0.002 0.000 0.850 23 N CB 0.505 38.992 38.487 0.000 0.000 1.411 23 N HN 0.854 nan 8.380 nan 0.000 0.488 24 G N 0.239 109.046 108.800 0.011 0.000 2.268 24 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.240 24 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.240 24 G C 0.104 175.025 174.900 0.034 0.000 1.010 24 G CA 0.294 45.408 45.100 0.023 0.000 0.618 24 G HN 1.127 nan 8.290 nan 0.000 0.516 25 S N 0.835 116.551 115.700 0.027 0.000 2.548 25 S HA 0.605 5.075 4.470 -0.000 0.000 0.277 25 S C -0.090 174.531 174.600 0.035 0.000 1.315 25 S CA 0.034 58.258 58.200 0.040 0.000 1.050 25 S CB 1.505 64.716 63.200 0.019 0.000 0.918 25 S HN 0.502 nan 8.310 nan 0.000 0.497 26 E N 1.862 122.112 120.200 0.084 0.000 2.204 26 E HA 0.540 4.890 4.350 -0.000 0.000 0.276 26 E C -1.196 175.458 176.600 0.090 0.000 0.974 26 E CA -1.011 55.426 56.400 0.061 0.000 0.815 26 E CB 1.843 31.685 29.700 0.237 0.000 1.119 26 E HN 0.463 nan 8.360 nan 0.000 0.393 27 V N 3.304 123.181 119.914 -0.062 0.000 2.376 27 V HA 0.272 4.392 4.120 -0.000 0.000 0.287 27 V C -1.205 174.834 176.094 -0.093 0.000 1.015 27 V CA -0.797 61.508 62.300 0.008 0.000 0.834 27 V CB 0.329 32.135 31.823 -0.030 0.000 1.001 27 V HN 0.613 nan 8.190 nan 0.000 0.428 28 W N 4.935 126.256 121.300 0.035 0.000 2.570 28 W HA 0.766 5.426 4.660 -0.000 0.000 0.337 28 W C -0.458 176.085 176.519 0.040 0.000 1.067 28 W CA -0.693 56.676 57.345 0.039 0.000 1.229 28 W CB 1.295 30.785 29.460 0.049 0.000 1.355 28 W HN 0.278 nan 8.180 nan 0.000 0.555 29 L N 2.911 124.291 121.223 0.263 0.000 2.313 29 L HA 0.416 4.756 4.340 -0.000 0.000 0.283 29 L C -0.146 176.830 176.870 0.176 0.000 1.013 29 L CA -1.292 53.645 54.840 0.161 0.000 0.816 29 L CB 1.450 43.562 42.059 0.088 0.000 1.236 29 L HN 0.209 nan 8.230 nan 0.000 0.419 30 K N 3.539 124.031 120.400 0.152 0.000 2.263 30 K HA 0.310 4.630 4.320 -0.000 0.000 0.282 30 K C -0.755 175.907 176.600 0.103 0.000 1.089 30 K CA -0.392 55.978 56.287 0.138 0.000 0.907 30 K CB 0.442 33.038 32.500 0.161 0.000 1.148 30 K HN 0.318 nan 8.250 nan 0.000 0.470 31 L N 5.300 126.578 121.223 0.092 0.000 2.395 31 L HA 0.156 4.496 4.340 -0.000 0.000 0.268 31 L C 0.899 177.810 176.870 0.067 0.000 1.223 31 L CA 0.529 55.413 54.840 0.073 0.000 1.093 31 L CB 0.302 42.404 42.059 0.072 0.000 1.349 31 L HN 0.695 nan 8.230 nan 0.000 0.427 32 E N 1.480 121.720 120.200 0.067 0.000 2.418 32 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 32 E C 1.903 178.539 176.600 0.060 0.000 1.026 32 E CA 0.672 57.113 56.400 0.069 0.000 0.862 32 E CB 0.267 30.014 29.700 0.079 0.000 0.799 32 E HN 0.715 nan 8.360 nan 0.000 0.518 33 G N 1.250 110.083 108.800 0.055 0.000 2.535 33 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 33 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 33 G C 1.445 176.379 174.900 0.056 0.000 1.122 33 G CA 0.313 45.445 45.100 0.053 0.000 0.769 33 G HN 0.206 nan 8.290 nan 0.000 0.549 34 N N 0.658 119.390 118.700 0.054 0.000 2.512 34 N HA -0.003 4.737 4.740 -0.000 0.000 0.183 34 N C 0.641 176.178 175.510 0.046 0.000 1.073 34 N CA -0.087 52.993 53.050 0.051 0.000 0.911 34 N CB -0.055 38.461 38.487 0.048 0.000 0.964 34 N HN 0.174 nan 8.380 nan 0.000 0.447 35 N N 1.050 119.777 118.700 0.045 0.000 2.416 35 N HA -0.014 4.726 4.740 -0.000 0.000 0.246 35 N C -1.529 174.006 175.510 0.042 0.000 1.260 35 N CA -0.777 52.295 53.050 0.037 0.000 0.897 35 N CB 0.479 38.986 38.487 0.034 0.000 1.110 35 N HN 0.054 nan 8.380 nan 0.000 0.439 36 P HA -0.161 nan 4.420 nan 0.000 0.216 36 P C 0.371 177.719 177.300 0.080 0.000 1.157 36 P CA 1.843 64.975 63.100 0.052 0.000 0.880 36 P CB 0.152 31.875 31.700 0.038 0.000 0.791 37 A N -1.731 121.128 122.820 0.064 0.000 2.379 37 A HA 0.526 4.846 4.320 -0.000 0.000 0.236 37 A C 1.445 179.082 177.584 0.089 0.000 1.272 37 A CA 0.485 52.584 52.037 0.104 0.000 0.886 37 A CB -0.945 18.064 19.000 0.016 0.000 0.962 37 A HN 0.265 nan 8.150 nan 0.000 0.504 38 G N -0.715 108.128 108.800 0.071 0.000 2.141 38 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.242 38 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.242 38 G C 0.246 175.184 174.900 0.064 0.000 0.982 38 G CA 0.724 45.866 45.100 0.070 0.000 0.662 38 G HN 1.956 nan 8.290 nan 0.000 0.527 39 S N -2.624 113.110 115.700 0.056 0.000 2.625 39 S HA 0.644 5.114 4.470 -0.000 0.000 0.271 39 S C 0.711 175.347 174.600 0.060 0.000 1.161 39 S CA 0.374 58.610 58.200 0.060 0.000 0.820 39 S CB 1.543 64.779 63.200 0.060 0.000 1.137 39 S HN 1.349 nan 8.310 nan 0.000 0.470 40 V N 1.534 121.493 119.914 0.074 0.000 2.688 40 V HA -0.106 4.014 4.120 -0.000 0.000 0.256 40 V C 1.939 178.098 176.094 0.108 0.000 1.084 40 V CA 1.927 64.290 62.300 0.105 0.000 1.103 40 V CB -0.944 30.946 31.823 0.112 0.000 0.688 40 V HN 0.817 nan 8.190 nan 0.000 0.480 41 K N 0.194 120.635 120.400 0.068 0.000 2.209 41 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 41 K C 1.663 178.267 176.600 0.007 0.000 1.048 41 K CA 1.422 57.734 56.287 0.041 0.000 0.940 41 K CB -0.792 31.716 32.500 0.014 0.000 0.729 41 K HN 0.528 nan 8.250 nan 0.000 0.451 42 D N 0.379 120.780 120.400 0.001 0.000 2.228 42 D HA -0.148 4.492 4.640 -0.000 0.000 0.203 42 D C 1.935 178.211 176.300 -0.039 0.000 0.988 42 D CA 0.889 54.873 54.000 -0.027 0.000 0.864 42 D CB 0.007 40.796 40.800 -0.018 0.000 0.928 42 D HN 0.199 nan 8.370 nan 0.000 0.469 43 R N 0.333 120.814 120.500 -0.031 0.000 2.062 43 R HA 0.028 4.368 4.340 -0.000 0.000 0.231 43 R C 2.280 178.496 176.300 -0.140 0.000 1.136 43 R CA 1.282 57.323 56.100 -0.098 0.000 0.948 43 R CB -0.325 29.892 30.300 -0.137 0.000 0.845 43 R HN 0.134 nan 8.270 nan 0.000 0.430 44 A N 1.127 123.880 122.820 -0.112 0.000 1.930 44 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 44 A C 2.326 179.870 177.584 -0.068 0.000 1.175 44 A CA 1.544 53.528 52.037 -0.088 0.000 0.627 44 A CB -0.494 18.496 19.000 -0.016 0.000 0.815 44 A HN 0.408 nan 8.150 nan 0.000 0.443 45 A N -0.262 122.519 122.820 -0.064 0.000 1.902 45 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 45 A C 2.181 179.720 177.584 -0.076 0.000 1.181 45 A CA 1.421 53.414 52.037 -0.074 0.000 0.623 45 A CB -0.581 18.372 19.000 -0.078 0.000 0.818 45 A HN 0.492 nan 8.150 nan 0.000 0.443 46 L N -0.412 120.769 121.223 -0.070 0.000 1.994 46 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 46 L C 2.802 179.641 176.870 -0.052 0.000 1.071 46 L CA 2.333 57.137 54.840 -0.059 0.000 0.745 46 L CB -0.583 41.442 42.059 -0.057 0.000 0.892 46 L HN 0.514 nan 8.230 nan 0.000 0.431 47 S N -0.397 115.269 115.700 -0.057 0.000 2.359 47 S HA -0.253 4.217 4.470 -0.000 0.000 0.224 47 S C 2.038 176.634 174.600 -0.007 0.000 1.035 47 S CA 1.668 59.853 58.200 -0.024 0.000 1.018 47 S CB -0.147 63.030 63.200 -0.038 0.000 0.876 47 S HN 0.386 nan 8.310 nan 0.000 0.448 48 M N 0.650 120.232 119.600 -0.030 0.000 2.080 48 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 48 M C 1.976 178.238 176.300 -0.063 0.000 1.068 48 M CA 1.382 56.659 55.300 -0.038 0.000 1.109 48 M CB -0.492 32.076 32.600 -0.054 0.000 1.342 48 M HN 0.360 nan 8.290 nan 0.000 0.405 49 I N -0.611 119.903 120.570 -0.092 0.000 2.252 49 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 49 I C 2.426 178.493 176.117 -0.082 0.000 1.102 49 I CA 1.257 62.470 61.300 -0.145 0.000 1.385 49 I CB -1.324 36.563 38.000 -0.189 0.000 1.064 49 I HN 0.110 nan 8.210 nan 0.000 0.414 50 V N 0.595 120.488 119.914 -0.034 0.000 2.427 50 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 50 V C 2.533 178.636 176.094 0.014 0.000 1.051 50 V CA 1.533 63.834 62.300 0.003 0.000 1.048 50 V CB -0.436 31.393 31.823 0.011 0.000 0.666 50 V HN 0.279 nan 8.190 nan 0.000 0.456 51 E N 0.211 120.419 120.200 0.014 0.000 2.107 51 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 51 E C 2.226 178.824 176.600 -0.003 0.000 0.982 51 E CA 1.230 57.643 56.400 0.021 0.000 0.809 51 E CB -0.484 29.239 29.700 0.038 0.000 0.756 51 E HN 0.520 nan 8.360 nan 0.000 0.459 52 A N 0.746 123.553 122.820 -0.021 0.000 1.940 52 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 52 A C 1.996 179.576 177.584 -0.006 0.000 1.176 52 A CA 1.758 53.778 52.037 -0.028 0.000 0.631 52 A CB -0.517 18.447 19.000 -0.061 0.000 0.814 52 A HN 0.258 nan 8.150 nan 0.000 0.446 53 E N -0.578 119.625 120.200 0.006 0.000 2.110 53 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 53 E C 2.085 178.706 176.600 0.034 0.000 0.988 53 E CA 1.327 57.753 56.400 0.044 0.000 0.804 53 E CB -0.123 29.619 29.700 0.070 0.000 0.745 53 E HN 0.682 nan 8.360 nan 0.000 0.458 54 K N 1.051 121.465 120.400 0.023 0.000 2.211 54 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 54 K C 1.651 178.257 176.600 0.011 0.000 1.050 54 K CA 0.888 57.186 56.287 0.019 0.000 0.945 54 K CB 0.108 32.620 32.500 0.021 0.000 0.732 54 K HN -0.101 nan 8.250 nan 0.000 0.451 55 R N -0.623 119.881 120.500 0.005 0.000 2.356 55 R HA 0.069 4.409 4.340 -0.000 0.000 0.234 55 R C 0.706 177.009 176.300 0.006 0.000 0.929 55 R CA 0.561 56.661 56.100 -0.000 0.000 1.084 55 R CB 0.280 30.575 30.300 -0.010 0.000 1.105 55 R HN 0.506 nan 8.270 nan 0.000 0.515 56 G N 0.852 109.661 108.800 0.015 0.000 2.186 56 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.266 56 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.266 56 G C 0.646 175.561 174.900 0.024 0.000 0.982 56 G CA 0.867 45.979 45.100 0.021 0.000 0.670 56 G HN 0.502 nan 8.290 nan 0.000 0.533 57 E N -0.407 119.805 120.200 0.020 0.000 2.208 57 E HA 0.168 4.518 4.350 -0.000 0.000 0.193 57 E C 1.456 178.078 176.600 0.037 0.000 0.988 57 E CA 1.182 57.593 56.400 0.018 0.000 0.828 57 E CB 0.059 29.759 29.700 0.000 0.000 0.763 57 E HN 0.910 nan 8.360 nan 0.000 0.478 58 I N -2.619 117.989 120.570 0.063 0.000 2.913 58 I HA 0.506 4.676 4.170 -0.000 0.000 0.302 58 I C -1.252 174.990 176.117 0.209 0.000 1.246 58 I CA -1.310 60.074 61.300 0.139 0.000 1.010 58 I CB 2.162 40.229 38.000 0.111 0.000 1.259 58 I HN -0.362 nan 8.210 nan 0.000 0.434 59 K N 3.601 124.142 120.400 0.235 0.000 2.426 59 K HA 0.477 4.797 4.320 -0.000 0.000 0.251 59 K C -2.340 174.197 176.600 -0.106 0.000 0.941 59 K CA -1.924 54.431 56.287 0.113 0.000 0.808 59 K CB 2.132 34.652 32.500 0.033 0.000 1.265 59 K HN 0.243 nan 8.250 nan 0.000 0.432 60 P HA -0.297 nan 4.420 nan 0.000 0.230 60 P C 1.204 178.150 177.300 -0.591 0.000 1.150 60 P CA 2.316 64.933 63.100 -0.806 0.000 0.933 60 P CB 0.140 31.615 31.700 -0.375 0.000 0.785 61 G N -1.727 106.918 108.800 -0.257 0.000 2.470 61 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.220 61 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.220 61 G C 0.431 175.296 174.900 -0.059 0.000 1.121 61 G CA 0.357 45.372 45.100 -0.141 0.000 0.766 61 G HN 0.263 nan 8.290 nan 0.000 0.553 62 D N -0.740 119.672 120.400 0.019 0.000 2.371 62 D HA 0.282 4.922 4.640 -0.000 0.000 0.242 62 D C 0.468 176.887 176.300 0.197 0.000 1.218 62 D CA -0.391 53.693 54.000 0.140 0.000 0.945 62 D CB 1.787 42.713 40.800 0.209 0.000 1.137 62 D HN 0.022 nan 8.370 nan 0.000 0.464 63 V N 0.572 120.566 119.914 0.133 0.000 2.481 63 V HA 0.468 4.588 4.120 -0.000 0.000 0.286 63 V C -0.711 175.435 176.094 0.087 0.000 1.042 63 V CA -0.518 61.849 62.300 0.111 0.000 0.928 63 V CB 0.627 32.490 31.823 0.067 0.000 0.986 63 V HN 0.323 nan 8.190 nan 0.000 0.462 64 L N 6.636 127.896 121.223 0.062 0.000 2.334 64 L HA 0.668 5.008 4.340 -0.000 0.000 0.273 64 L C -0.499 176.375 176.870 0.007 0.000 1.013 64 L CA -0.653 54.185 54.840 -0.003 0.000 0.816 64 L CB 1.874 43.891 42.059 -0.070 0.000 1.278 64 L HN 0.553 nan 8.230 nan 0.000 0.431 65 I N 1.530 122.099 120.570 -0.001 0.000 2.647 65 I HA 0.560 4.730 4.170 -0.000 0.000 0.295 65 I C -0.892 175.230 176.117 0.009 0.000 1.078 65 I CA -0.504 60.803 61.300 0.011 0.000 1.048 65 I CB 2.413 40.424 38.000 0.019 0.000 1.239 65 I HN 0.531 nan 8.210 nan 0.000 0.421 66 E N 3.594 123.805 120.200 0.018 0.000 2.380 66 E HA 0.683 5.033 4.350 -0.000 0.000 0.281 66 E C -1.722 174.905 176.600 0.044 0.000 0.999 66 E CA -0.594 55.822 56.400 0.027 0.000 0.800 66 E CB 2.069 31.772 29.700 0.004 0.000 1.228 66 E HN 0.678 nan 8.360 nan 0.000 0.436 67 A N 2.787 125.651 122.820 0.072 0.000 2.252 67 A HA 0.745 5.065 4.320 -0.000 0.000 0.309 67 A C -0.327 177.321 177.584 0.106 0.000 1.285 67 A CA 0.341 52.431 52.037 0.087 0.000 0.900 67 A CB 0.742 19.806 19.000 0.107 0.000 1.157 67 A HN 0.514 nan 8.150 nan 0.000 0.536 68 T N 0.239 114.840 114.554 0.077 0.000 2.800 68 T HA 0.412 4.762 4.350 -0.000 0.000 0.327 68 T C -0.115 174.612 174.700 0.045 0.000 1.838 68 T CA 0.314 62.458 62.100 0.073 0.000 1.024 68 T CB 0.639 69.535 68.868 0.047 0.000 1.755 68 T HN 1.666 nan 8.240 nan 0.000 0.507 69 S N 0.361 116.084 115.700 0.038 0.000 3.067 69 S HA 0.512 4.982 4.470 -0.000 0.000 0.253 69 S C 0.699 175.304 174.600 0.008 0.000 0.942 69 S CA 0.538 58.750 58.200 0.021 0.000 1.197 69 S CB 0.247 63.457 63.200 0.017 0.000 1.143 69 S HN 1.108 nan 8.310 nan 0.000 0.638 70 G N 2.157 110.962 108.800 0.009 0.000 3.341 70 G HA2 0.335 4.295 3.960 -0.000 0.000 0.177 70 G HA3 0.335 4.295 3.960 -0.000 0.000 0.177 70 G C 0.511 175.410 174.900 -0.002 0.000 1.236 70 G CA -0.290 44.807 45.100 -0.006 0.000 0.888 70 G HN 0.230 nan 8.290 nan 0.000 0.644 71 N N 0.212 118.913 118.700 0.003 0.000 2.223 71 N HA -0.078 4.662 4.740 -0.000 0.000 0.185 71 N C 2.242 177.752 175.510 0.000 0.000 1.016 71 N CA 1.500 54.556 53.050 0.010 0.000 0.863 71 N CB -0.379 38.125 38.487 0.029 0.000 0.983 71 N HN 0.338 nan 8.380 nan 0.000 0.429 72 T N -0.187 114.363 114.554 -0.007 0.000 2.777 72 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 72 T C 1.904 176.588 174.700 -0.027 0.000 1.040 72 T CA 1.380 63.464 62.100 -0.027 0.000 1.141 72 T CB -0.566 68.275 68.868 -0.046 0.000 0.868 72 T HN 0.371 nan 8.240 nan 0.000 0.444 73 G N 1.235 110.029 108.800 -0.009 0.000 2.418 73 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 73 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 73 G C 1.528 176.426 174.900 -0.004 0.000 1.158 73 G CA 0.438 45.538 45.100 -0.001 0.000 0.771 73 G HN 0.482 nan 8.290 nan 0.000 0.545 74 I N 1.360 121.935 120.570 0.008 0.000 2.179 74 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 74 I C 3.301 179.348 176.117 -0.116 0.000 1.088 74 I CA 0.974 62.287 61.300 0.022 0.000 1.357 74 I CB -0.239 37.808 38.000 0.078 0.000 1.051 74 I HN 0.241 nan 8.210 nan 0.000 0.409 75 A N 1.051 123.817 122.820 -0.090 0.000 1.877 75 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 75 A C 2.300 179.788 177.584 -0.160 0.000 1.186 75 A CA 1.485 53.447 52.037 -0.125 0.000 0.620 75 A CB -0.937 18.023 19.000 -0.067 0.000 0.822 75 A HN 0.372 nan 8.150 nan 0.000 0.443 76 L N -0.837 120.317 121.223 -0.114 0.000 2.083 76 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 76 L C 3.071 179.869 176.870 -0.119 0.000 1.083 76 L CA 1.010 55.788 54.840 -0.104 0.000 0.752 76 L CB -0.500 41.517 42.059 -0.070 0.000 0.899 76 L HN 0.454 nan 8.230 nan 0.000 0.433 77 A N -0.465 122.276 122.820 -0.132 0.000 1.898 77 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 77 A C 2.340 179.757 177.584 -0.279 0.000 1.181 77 A CA 1.553 53.530 52.037 -0.100 0.000 0.620 77 A CB -0.486 18.527 19.000 0.023 0.000 0.819 77 A HN 0.339 nan 8.150 nan 0.000 0.442 78 M N 0.061 119.229 119.600 -0.719 0.000 2.065 78 M HA -0.128 4.352 4.480 -0.000 0.000 0.259 78 M C 1.877 177.992 176.300 -0.309 0.000 1.069 78 M CA 1.933 56.677 55.300 -0.927 0.000 1.110 78 M CB -0.666 31.323 32.600 -1.017 0.000 1.328 78 M HN 0.343 nan 8.290 nan 0.000 0.405 79 I N 0.903 121.348 120.570 -0.207 0.000 2.286 79 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 79 I C 2.724 178.841 176.117 0.001 0.000 1.115 79 I CA 1.418 62.667 61.300 -0.084 0.000 1.392 79 I CB -1.888 36.062 38.000 -0.083 0.000 1.065 79 I HN 0.301 nan 8.210 nan 0.000 0.418 80 A N 1.086 123.905 122.820 -0.001 0.000 1.883 80 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 80 A C 2.594 180.248 177.584 0.117 0.000 1.186 80 A CA 2.245 54.350 52.037 0.112 0.000 0.624 80 A CB -0.823 18.225 19.000 0.079 0.000 0.822 80 A HN 0.424 nan 8.150 nan 0.000 0.444 81 A N -0.798 122.061 122.820 0.065 0.000 1.933 81 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 81 A C 2.143 179.773 177.584 0.077 0.000 1.175 81 A CA 1.760 53.855 52.037 0.096 0.000 0.628 81 A CB -0.561 18.544 19.000 0.175 0.000 0.814 81 A HN 0.686 nan 8.150 nan 0.000 0.444 82 L N -0.459 120.799 121.223 0.058 0.000 2.027 82 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 82 L C 1.888 178.792 176.870 0.056 0.000 1.074 82 L CA 2.119 56.989 54.840 0.051 0.000 0.745 82 L CB -0.303 41.773 42.059 0.029 0.000 0.898 82 L HN 0.302 nan 8.230 nan 0.000 0.433 83 K N -0.838 119.620 120.400 0.097 0.000 2.374 83 K HA 0.341 4.661 4.320 -0.000 0.000 0.196 83 K C 0.690 177.283 176.600 -0.012 0.000 1.023 83 K CA 0.583 56.935 56.287 0.110 0.000 1.103 83 K CB 0.331 32.995 32.500 0.274 0.000 0.848 83 K HN 0.453 nan 8.250 nan 0.000 0.528 84 G N 1.586 110.383 108.800 -0.006 0.000 2.203 84 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.231 84 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.231 84 G C -0.585 174.159 174.900 -0.261 0.000 1.058 84 G CA -0.363 44.664 45.100 -0.122 0.000 0.781 84 G HN 0.180 nan 8.290 nan 0.000 0.496 85 Y N -0.545 119.758 120.300 0.005 0.000 2.519 85 Y HA 0.708 5.258 4.550 -0.000 0.000 0.324 85 Y C 1.270 177.176 175.900 0.010 0.000 1.214 85 Y CA -0.960 57.143 58.100 0.005 0.000 1.260 85 Y CB 1.021 39.480 38.460 -0.001 0.000 1.311 85 Y HN 0.086 nan 8.280 nan 0.000 0.505 86 R N 1.942 122.551 120.500 0.182 0.000 2.215 86 R HA 0.321 4.661 4.340 -0.000 0.000 0.337 86 R C -1.008 175.354 176.300 0.103 0.000 1.010 86 R CA -0.707 55.458 56.100 0.109 0.000 0.871 86 R CB 0.909 31.254 30.300 0.075 0.000 1.134 86 R HN 0.536 nan 8.270 nan 0.000 0.477 87 M N 2.605 122.256 119.600 0.084 0.000 2.235 87 M HA 0.165 4.645 4.480 -0.000 0.000 0.351 87 M C -0.517 175.811 176.300 0.047 0.000 1.178 87 M CA 0.452 55.786 55.300 0.056 0.000 1.143 87 M CB 0.666 33.293 32.600 0.044 0.000 1.530 87 M HN 0.220 nan 8.290 nan 0.000 0.461 88 K N 5.774 126.196 120.400 0.036 0.000 2.502 88 K HA 0.546 4.866 4.320 -0.000 0.000 0.254 88 K C -1.671 174.946 176.600 0.029 0.000 0.947 88 K CA -0.448 55.859 56.287 0.033 0.000 0.834 88 K CB 1.398 33.917 32.500 0.033 0.000 1.112 88 K HN 0.651 nan 8.250 nan 0.000 0.427 89 L N 4.706 125.947 121.223 0.031 0.000 2.341 89 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 89 L C -0.610 176.279 176.870 0.031 0.000 1.005 89 L CA -0.978 53.880 54.840 0.030 0.000 0.818 89 L CB 1.314 43.391 42.059 0.030 0.000 1.259 89 L HN 0.353 nan 8.230 nan 0.000 0.418 90 L N 5.139 126.383 121.223 0.035 0.000 2.329 90 L HA 0.748 5.088 4.340 -0.000 0.000 0.279 90 L C -0.207 176.686 176.870 0.037 0.000 1.014 90 L CA -0.519 54.342 54.840 0.035 0.000 0.814 90 L CB 1.670 43.752 42.059 0.038 0.000 1.257 90 L HN 0.719 nan 8.230 nan 0.000 0.424 91 M N 1.731 121.349 119.600 0.031 0.000 2.682 91 M HA 0.608 5.088 4.480 -0.000 0.000 0.272 91 M C -3.077 173.236 176.300 0.021 0.000 1.232 91 M CA -1.906 53.411 55.300 0.029 0.000 0.849 91 M CB 2.170 34.785 32.600 0.025 0.000 1.695 91 M HN 0.052 nan 8.290 nan 0.000 0.481 92 P HA 0.165 nan 4.420 nan 0.000 0.275 92 P C -0.860 176.445 177.300 0.008 0.000 1.227 92 P CA 0.197 63.304 63.100 0.011 0.000 0.781 92 P CB 0.319 32.022 31.700 0.006 0.000 0.906 93 D N 2.694 123.098 120.400 0.007 0.000 2.885 93 D HA -0.020 4.620 4.640 -0.000 0.000 0.234 93 D C -0.099 176.202 176.300 0.002 0.000 1.129 93 D CA 0.116 54.120 54.000 0.006 0.000 0.991 93 D CB -1.304 39.499 40.800 0.006 0.000 1.137 93 D HN 0.223 nan 8.370 nan 0.000 0.459 94 N N 0.954 119.654 118.700 0.001 0.000 2.545 94 N HA 0.035 4.775 4.740 -0.000 0.000 0.283 94 N C -0.783 174.724 175.510 -0.004 0.000 1.596 94 N CA -0.386 52.662 53.050 -0.002 0.000 0.862 94 N CB -0.168 38.317 38.487 -0.005 0.000 1.422 94 N HN 0.043 nan 8.380 nan 0.000 0.489 95 M N 0.865 120.464 119.600 -0.003 0.000 2.508 95 M HA 0.376 4.856 4.480 -0.000 0.000 0.327 95 M C 0.295 176.591 176.300 -0.007 0.000 1.160 95 M CA -0.531 54.765 55.300 -0.006 0.000 0.980 95 M CB 1.973 34.570 32.600 -0.004 0.000 1.693 95 M HN 0.213 nan 8.290 nan 0.000 0.452 96 S N 1.314 117.007 115.700 -0.011 0.000 2.558 96 S HA 0.013 4.483 4.470 -0.000 0.000 0.288 96 S C 0.934 175.529 174.600 -0.008 0.000 1.318 96 S CA -0.353 57.841 58.200 -0.010 0.000 1.056 96 S CB 0.238 63.429 63.200 -0.014 0.000 0.853 96 S HN 0.740 nan 8.310 nan 0.000 0.505 97 Q N 0.842 120.639 119.800 -0.005 0.000 2.368 97 Q HA -0.204 4.136 4.340 -0.000 0.000 0.210 97 Q C 1.705 177.701 176.000 -0.007 0.000 0.982 97 Q CA 1.579 57.379 55.803 -0.005 0.000 0.884 97 Q CB -0.425 28.311 28.738 -0.003 0.000 0.933 97 Q HN 0.948 nan 8.270 nan 0.000 0.460 98 E N 1.772 121.966 120.200 -0.011 0.000 2.046 98 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 98 E C 1.943 178.530 176.600 -0.022 0.000 0.982 98 E CA 1.049 57.440 56.400 -0.016 0.000 0.800 98 E CB 0.118 29.808 29.700 -0.017 0.000 0.756 98 E HN 0.316 nan 8.360 nan 0.000 0.449 99 R N -0.145 120.339 120.500 -0.027 0.000 2.075 99 R HA 0.046 4.386 4.340 -0.000 0.000 0.232 99 R C 2.645 178.941 176.300 -0.007 0.000 1.126 99 R CA 1.531 57.614 56.100 -0.028 0.000 0.963 99 R CB -0.198 30.081 30.300 -0.035 0.000 0.858 99 R HN 0.101 nan 8.270 nan 0.000 0.435 100 R N 0.103 120.601 120.500 -0.003 0.000 2.096 100 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 100 R C 2.218 178.523 176.300 0.010 0.000 1.127 100 R CA 1.375 57.479 56.100 0.007 0.000 0.968 100 R CB -0.238 30.065 30.300 0.005 0.000 0.861 100 R HN 0.212 nan 8.270 nan 0.000 0.440 101 A N 0.855 123.675 122.820 0.000 0.000 1.968 101 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 101 A C 2.290 179.868 177.584 -0.009 0.000 1.169 101 A CA 1.267 53.300 52.037 -0.007 0.000 0.638 101 A CB -0.364 18.628 19.000 -0.014 0.000 0.812 101 A HN 0.369 nan 8.150 nan 0.000 0.446 102 A N -0.176 122.645 122.820 0.003 0.000 1.902 102 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 102 A C 2.232 179.870 177.584 0.091 0.000 1.181 102 A CA 1.859 53.909 52.037 0.022 0.000 0.623 102 A CB -0.514 18.507 19.000 0.035 0.000 0.818 102 A HN 0.533 nan 8.150 nan 0.000 0.443 103 M N -1.636 118.021 119.600 0.096 0.000 2.156 103 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 103 M C 2.360 178.735 176.300 0.125 0.000 1.067 103 M CA 1.241 56.625 55.300 0.140 0.000 1.131 103 M CB -0.230 32.419 32.600 0.082 0.000 1.368 103 M HN 0.287 nan 8.290 nan 0.000 0.416 104 R N 0.273 120.809 120.500 0.060 0.000 2.152 104 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 104 R C 2.276 178.587 176.300 0.019 0.000 1.117 104 R CA 1.271 57.395 56.100 0.040 0.000 0.981 104 R CB -0.348 29.961 30.300 0.016 0.000 0.870 104 R HN 0.373 nan 8.270 nan 0.000 0.451 105 A N -0.071 122.728 122.820 -0.035 0.000 1.972 105 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 105 A C 1.255 178.748 177.584 -0.153 0.000 1.169 105 A CA 1.052 53.008 52.037 -0.136 0.000 0.635 105 A CB -0.423 18.425 19.000 -0.252 0.000 0.810 105 A HN 0.328 nan 8.150 nan 0.000 0.446 106 Y N -0.449 119.858 120.300 0.012 0.000 2.553 106 Y HA 0.302 4.852 4.550 -0.000 0.000 0.303 106 Y C 1.861 177.772 175.900 0.019 0.000 1.194 106 Y CA 0.287 58.397 58.100 0.016 0.000 1.305 106 Y CB -0.330 38.141 38.460 0.018 0.000 1.045 106 Y HN 0.457 nan 8.280 nan 0.000 0.514 107 G N -0.446 108.430 108.800 0.126 0.000 2.157 107 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 107 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 107 G C 0.404 175.355 174.900 0.084 0.000 0.979 107 G CA -0.108 45.044 45.100 0.085 0.000 0.650 107 G HN 0.635 nan 8.290 nan 0.000 0.529 108 A N 0.167 123.048 122.820 0.102 0.000 2.488 108 A HA 0.534 4.854 4.320 -0.000 0.000 0.249 108 A C 0.583 178.201 177.584 0.057 0.000 1.083 108 A CA 0.611 52.696 52.037 0.079 0.000 0.768 108 A CB 0.330 19.380 19.000 0.083 0.000 1.017 108 A HN 0.595 nan 8.150 nan 0.000 0.496 109 E N 1.759 121.988 120.200 0.048 0.000 2.290 109 E HA 0.324 4.674 4.350 -0.000 0.000 0.277 109 E C -1.383 175.238 176.600 0.035 0.000 1.035 109 E CA -0.462 55.961 56.400 0.037 0.000 0.873 109 E CB 0.393 30.114 29.700 0.034 0.000 1.029 109 E HN 0.456 nan 8.360 nan 0.000 0.419 110 L N 6.266 127.507 121.223 0.030 0.000 2.265 110 L HA 0.358 4.698 4.340 -0.000 0.000 0.289 110 L C -0.271 176.613 176.870 0.024 0.000 1.033 110 L CA -0.168 54.688 54.840 0.027 0.000 0.814 110 L CB 1.259 43.333 42.059 0.025 0.000 1.203 110 L HN 0.557 nan 8.230 nan 0.000 0.423 111 I N 5.105 125.690 120.570 0.024 0.000 2.287 111 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 111 I C -0.410 175.719 176.117 0.021 0.000 1.069 111 I CA -0.656 60.657 61.300 0.022 0.000 1.237 111 I CB 0.628 38.642 38.000 0.024 0.000 1.418 111 I HN 0.224 nan 8.210 nan 0.000 0.481 112 L N 7.102 128.336 121.223 0.018 0.000 2.439 112 L HA 0.380 4.720 4.340 -0.000 0.000 0.269 112 L C 0.322 177.202 176.870 0.016 0.000 1.179 112 L CA 0.117 54.967 54.840 0.016 0.000 0.828 112 L CB 0.889 42.955 42.059 0.013 0.000 1.106 112 L HN 0.266 nan 8.230 nan 0.000 0.467 113 V N 0.504 120.428 119.914 0.016 0.000 3.155 113 V HA 0.574 4.694 4.120 -0.000 0.000 0.313 113 V C -0.081 176.020 176.094 0.012 0.000 1.162 113 V CA -0.634 61.676 62.300 0.016 0.000 1.048 113 V CB 2.817 34.652 31.823 0.020 0.000 1.092 113 V HN 0.983 nan 8.190 nan 0.000 0.447 114 T N -0.459 114.102 114.554 0.011 0.000 2.909 114 T HA 0.303 4.653 4.350 -0.000 0.000 0.289 114 T C 0.843 175.546 174.700 0.006 0.000 1.005 114 T CA -0.561 61.544 62.100 0.008 0.000 1.084 114 T CB 0.871 69.743 68.868 0.008 0.000 0.975 114 T HN 0.600 nan 8.240 nan 0.000 0.509 115 K N 0.884 121.286 120.400 0.004 0.000 2.304 115 K HA -0.232 4.088 4.320 -0.000 0.000 0.204 115 K C 1.635 178.234 176.600 -0.000 0.000 1.044 115 K CA 2.082 58.369 56.287 0.000 0.000 0.932 115 K CB -0.049 32.451 32.500 -0.001 0.000 0.735 115 K HN 0.770 nan 8.250 nan 0.000 0.468 116 E N -0.337 119.864 120.200 0.002 0.000 2.290 116 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 116 E C 1.611 178.214 176.600 0.005 0.000 0.948 116 E CA 0.260 56.661 56.400 0.002 0.000 0.895 116 E CB -0.027 29.675 29.700 0.003 0.000 0.865 116 E HN 0.354 nan 8.360 nan 0.000 0.486 117 Q N 1.326 121.131 119.800 0.008 0.000 2.378 117 Q HA 0.114 4.454 4.340 -0.000 0.000 0.205 117 Q C 1.132 177.140 176.000 0.012 0.000 0.954 117 Q CA 0.560 56.370 55.803 0.012 0.000 0.901 117 Q CB -0.230 28.517 28.738 0.015 0.000 0.981 117 Q HN 0.146 nan 8.270 nan 0.000 0.483 118 G N 1.776 110.580 108.800 0.007 0.000 2.633 118 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.263 118 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.263 118 G C 0.494 175.401 174.900 0.011 0.000 1.310 118 G CA 0.455 45.557 45.100 0.003 0.000 0.914 118 G HN 0.300 nan 8.290 nan 0.000 0.569 119 M N -0.359 119.245 119.600 0.006 0.000 2.175 119 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 119 M C 2.487 178.806 176.300 0.032 0.000 1.063 119 M CA 2.389 57.701 55.300 0.021 0.000 1.119 119 M CB -0.480 32.125 32.600 0.008 0.000 1.377 119 M HN 0.663 nan 8.290 nan 0.000 0.415 120 E N 0.566 120.779 120.200 0.022 0.000 2.110 120 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 120 E C 2.074 178.699 176.600 0.042 0.000 0.988 120 E CA 1.436 57.858 56.400 0.038 0.000 0.804 120 E CB -0.799 28.925 29.700 0.040 0.000 0.745 120 E HN 0.578 nan 8.360 nan 0.000 0.458 121 G N 0.881 109.701 108.800 0.033 0.000 2.418 121 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 121 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 121 G C 1.703 176.625 174.900 0.037 0.000 1.158 121 G CA 1.021 46.140 45.100 0.032 0.000 0.771 121 G HN 0.406 nan 8.290 nan 0.000 0.545 122 A N 0.575 123.419 122.820 0.041 0.000 1.902 122 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 122 A C 2.389 180.009 177.584 0.059 0.000 1.181 122 A CA 1.846 53.911 52.037 0.047 0.000 0.623 122 A CB -0.418 18.612 19.000 0.050 0.000 0.818 122 A HN 0.317 nan 8.150 nan 0.000 0.443 123 R N -0.103 120.440 120.500 0.072 0.000 2.091 123 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 123 R C 1.636 177.975 176.300 0.064 0.000 1.136 123 R CA 1.869 58.020 56.100 0.085 0.000 0.959 123 R CB -0.248 30.110 30.300 0.097 0.000 0.856 123 R HN 0.552 nan 8.270 nan 0.000 0.437 124 D N 0.101 120.532 120.400 0.051 0.000 2.084 124 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 124 D C 1.944 178.265 176.300 0.035 0.000 0.985 124 D CA 0.955 54.980 54.000 0.040 0.000 0.826 124 D CB -0.249 40.572 40.800 0.035 0.000 0.978 124 D HN 0.190 nan 8.370 nan 0.000 0.456 125 L N 0.861 122.105 121.223 0.034 0.000 2.043 125 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 125 L C 2.486 179.375 176.870 0.032 0.000 1.075 125 L CA 1.383 56.241 54.840 0.030 0.000 0.752 125 L CB -0.401 41.676 42.059 0.029 0.000 0.891 125 L HN -0.006 nan 8.230 nan 0.000 0.432 126 A N -0.596 122.247 122.820 0.039 0.000 1.933 126 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 126 A C 2.113 179.719 177.584 0.036 0.000 1.175 126 A CA 1.417 53.478 52.037 0.040 0.000 0.628 126 A CB -0.576 18.454 19.000 0.050 0.000 0.814 126 A HN 0.342 nan 8.150 nan 0.000 0.444 127 L N 0.299 121.546 121.223 0.039 0.000 2.017 127 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 127 L C 2.177 179.063 176.870 0.026 0.000 1.073 127 L CA 2.271 57.131 54.840 0.033 0.000 0.745 127 L CB -1.031 41.049 42.059 0.035 0.000 0.894 127 L HN 0.539 nan 8.230 nan 0.000 0.432 128 E N -0.978 119.236 120.200 0.024 0.000 2.070 128 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 128 E C 2.155 178.766 176.600 0.019 0.000 1.004 128 E CA 1.927 58.339 56.400 0.020 0.000 0.805 128 E CB -0.277 29.435 29.700 0.019 0.000 0.744 128 E HN 0.516 nan 8.360 nan 0.000 0.451 129 M N 0.277 119.890 119.600 0.021 0.000 2.159 129 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 129 M C 2.452 178.764 176.300 0.020 0.000 1.063 129 M CA 1.438 56.750 55.300 0.020 0.000 1.110 129 M CB -0.177 32.437 32.600 0.023 0.000 1.374 129 M HN 0.121 nan 8.290 nan 0.000 0.411 130 A N 0.578 123.410 122.820 0.020 0.000 1.969 130 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 130 A C 1.811 179.404 177.584 0.015 0.000 1.169 130 A CA 1.438 53.486 52.037 0.018 0.000 0.635 130 A CB -0.631 18.380 19.000 0.018 0.000 0.810 130 A HN 0.453 nan 8.150 nan 0.000 0.445 131 N N 0.217 118.926 118.700 0.015 0.000 2.013 131 N HA -0.193 4.547 4.740 -0.000 0.000 0.195 131 N C 1.722 177.239 175.510 0.012 0.000 1.051 131 N CA 1.658 54.715 53.050 0.012 0.000 0.851 131 N CB -0.565 37.929 38.487 0.012 0.000 1.044 131 N HN 0.445 nan 8.380 nan 0.000 0.422 132 R N 0.103 120.611 120.500 0.013 0.000 2.226 132 R HA -0.128 4.212 4.340 -0.000 0.000 0.246 132 R C 0.928 177.236 176.300 0.014 0.000 1.161 132 R CA 1.354 57.462 56.100 0.013 0.000 0.997 132 R CB -0.555 29.754 30.300 0.014 0.000 0.870 132 R HN 0.530 nan 8.270 nan 0.000 0.465 133 G N -0.481 108.328 108.800 0.015 0.000 2.141 133 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.231 133 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.231 133 G C 0.218 175.129 174.900 0.019 0.000 0.984 133 G CA 0.346 45.456 45.100 0.016 0.000 0.660 133 G HN 0.618 nan 8.290 nan 0.000 0.525 134 E N 0.135 120.347 120.200 0.020 0.000 2.335 134 E HA 0.493 4.843 4.350 -0.000 0.000 0.191 134 E C 0.796 177.413 176.600 0.027 0.000 1.077 134 E CA 0.211 56.625 56.400 0.023 0.000 1.010 134 E CB 0.263 29.976 29.700 0.021 0.000 1.141 134 E HN 1.636 nan 8.360 nan 0.000 0.452 135 G N 0.819 109.636 108.800 0.028 0.000 2.337 135 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.310 135 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.310 135 G C -1.732 173.180 174.900 0.020 0.000 1.534 135 G CA -1.035 44.083 45.100 0.030 0.000 0.982 135 G HN -0.001 nan 8.290 nan 0.000 0.672 136 K N 0.583 120.991 120.400 0.013 0.000 2.227 136 K HA 0.510 4.830 4.320 -0.000 0.000 0.280 136 K C -0.329 176.265 176.600 -0.010 0.000 1.041 136 K CA -0.726 55.560 56.287 -0.002 0.000 0.905 136 K CB 1.356 33.845 32.500 -0.018 0.000 1.068 136 K HN 0.534 nan 8.250 nan 0.000 0.470 137 L N 5.274 126.496 121.223 -0.002 0.000 2.349 137 L HA 0.157 4.497 4.340 -0.000 0.000 0.275 137 L C 0.855 177.720 176.870 -0.008 0.000 1.115 137 L CA 0.317 55.160 54.840 0.004 0.000 0.820 137 L CB 0.761 42.831 42.059 0.018 0.000 1.135 137 L HN 0.763 nan 8.230 nan 0.000 0.445 138 L N 1.791 123.007 121.223 -0.013 0.000 2.202 138 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 138 L C 0.274 177.137 176.870 -0.011 0.000 1.083 138 L CA 0.300 55.123 54.840 -0.028 0.000 0.790 138 L CB -0.152 41.878 42.059 -0.049 0.000 0.942 138 L HN 0.822 nan 8.230 nan 0.000 0.452 139 D N 0.876 121.285 120.400 0.015 0.000 2.828 139 D HA -0.234 4.405 4.640 -0.000 0.000 0.241 139 D C 1.350 177.663 176.300 0.022 0.000 1.142 139 D CA 0.834 54.867 54.000 0.055 0.000 0.755 139 D CB -0.289 40.545 40.800 0.056 0.000 1.014 139 D HN 0.601 nan 8.370 nan 0.000 0.420 140 Q N -0.276 119.484 119.800 -0.067 0.000 2.226 140 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 140 Q C 1.543 177.386 176.000 -0.262 0.000 0.975 140 Q CA 1.238 56.917 55.803 -0.207 0.000 0.866 140 Q CB -0.314 28.221 28.738 -0.338 0.000 0.915 140 Q HN 0.535 nan 8.270 nan 0.000 0.440 141 F N 1.245 121.221 119.950 0.043 0.000 2.456 141 F HA 0.077 4.604 4.527 -0.000 0.000 0.298 141 F C 1.528 177.323 175.800 -0.008 0.000 1.104 141 F CA 0.657 58.667 58.000 0.017 0.000 1.435 141 F CB 0.146 39.154 39.000 0.014 0.000 1.078 141 F HN 0.184 nan 8.300 nan 0.000 0.546 142 N N -0.900 117.889 118.700 0.149 0.000 2.171 142 N HA -0.007 4.733 4.740 -0.000 0.000 0.212 142 N C -0.207 175.329 175.510 0.042 0.000 1.184 142 N CA 0.096 53.196 53.050 0.083 0.000 0.888 142 N CB 0.062 38.593 38.487 0.074 0.000 1.038 142 N HN 0.055 nan 8.380 nan 0.000 0.517 143 N N 2.803 121.521 118.700 0.030 0.000 2.415 143 N HA 0.169 4.909 4.740 -0.000 0.000 0.246 143 N C -1.797 173.722 175.510 0.016 0.000 1.078 143 N CA -1.680 51.377 53.050 0.011 0.000 0.942 143 N CB 1.601 40.087 38.487 -0.003 0.000 1.140 143 N HN -0.097 nan 8.380 nan 0.000 0.501 144 P HA -0.108 nan 4.420 nan 0.000 0.220 144 P C 0.339 177.667 177.300 0.048 0.000 1.144 144 P CA 1.094 64.198 63.100 0.007 0.000 0.800 144 P CB 0.404 32.076 31.700 -0.047 0.000 0.772 145 D N -1.454 118.972 120.400 0.043 0.000 2.269 145 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 145 D C 1.739 178.101 176.300 0.104 0.000 0.963 145 D CA 0.617 54.683 54.000 0.111 0.000 0.864 145 D CB -0.630 40.207 40.800 0.063 0.000 0.936 145 D HN 0.166 nan 8.370 nan 0.000 0.505 146 N N 1.641 120.376 118.700 0.059 0.000 2.006 146 N HA -0.119 4.621 4.740 -0.000 0.000 0.196 146 N C -1.114 174.458 175.510 0.103 0.000 1.057 146 N CA 1.594 54.672 53.050 0.048 0.000 0.853 146 N CB -1.080 37.429 38.487 0.037 0.000 1.051 146 N HN 0.058 nan 8.380 nan 0.000 0.423 147 P HA -0.116 nan 4.420 nan 0.000 0.222 147 P C 1.197 178.635 177.300 0.230 0.000 1.147 147 P CA 0.900 64.147 63.100 0.244 0.000 0.790 147 P CB -0.333 31.481 31.700 0.190 0.000 0.780 148 Y N 1.658 121.989 120.300 0.052 0.000 2.352 148 Y HA -0.028 4.522 4.550 -0.000 0.000 0.292 148 Y C 2.468 178.398 175.900 0.050 0.000 1.136 148 Y CA 0.942 59.086 58.100 0.074 0.000 1.227 148 Y CB -1.052 37.425 38.460 0.028 0.000 0.991 148 Y HN -0.059 nan 8.280 nan 0.000 0.545 149 A N -0.499 122.238 122.820 -0.139 0.000 1.933 149 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 149 A C 1.937 179.293 177.584 -0.381 0.000 1.175 149 A CA 1.871 53.702 52.037 -0.343 0.000 0.628 149 A CB -0.856 17.901 19.000 -0.405 0.000 0.814 149 A HN 0.639 nan 8.150 nan 0.000 0.444 150 H N -3.109 115.948 119.070 -0.022 0.000 2.448 150 H HA -0.035 4.521 4.556 -0.000 0.000 0.292 150 H C 1.902 177.197 175.328 -0.056 0.000 1.035 150 H CA 1.441 57.468 56.048 -0.034 0.000 1.349 150 H CB -0.449 29.328 29.762 0.025 0.000 1.425 150 H HN 0.684 nan 8.280 nan 0.000 0.539 151 Y N 2.128 122.421 120.300 -0.013 0.000 2.224 151 Y HA -0.197 4.353 4.550 -0.000 0.000 0.289 151 Y C 2.212 178.017 175.900 -0.159 0.000 1.146 151 Y CA 1.661 59.750 58.100 -0.017 0.000 1.182 151 Y CB -0.189 38.319 38.460 0.080 0.000 0.983 151 Y HN -0.027 nan 8.280 nan 0.000 0.524 152 T N -1.198 113.172 114.554 -0.307 0.000 2.978 152 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 152 T C 1.543 176.012 174.700 -0.384 0.000 1.063 152 T CA 1.845 63.679 62.100 -0.445 0.000 1.140 152 T CB -0.177 68.340 68.868 -0.584 0.000 0.886 152 T HN 0.652 nan 8.240 nan 0.000 0.470 153 T N -1.800 112.560 114.554 -0.323 0.000 3.321 153 T HA 0.056 4.406 4.350 -0.000 0.000 0.251 153 T C 2.080 176.639 174.700 -0.235 0.000 0.999 153 T CA 0.549 62.496 62.100 -0.255 0.000 1.186 153 T CB -0.681 68.073 68.868 -0.189 0.000 1.163 153 T HN 0.065 nan 8.240 nan 0.000 0.399 154 T N 1.942 116.411 114.554 -0.141 0.000 2.684 154 T HA 0.035 4.385 4.350 -0.000 0.000 0.267 154 T C 2.152 176.739 174.700 -0.188 0.000 1.036 154 T CA 1.793 63.858 62.100 -0.059 0.000 1.148 154 T CB -1.127 67.834 68.868 0.155 0.000 0.863 154 T HN 0.605 nan 8.240 nan 0.000 0.436 155 G N 2.243 110.840 108.800 -0.339 0.000 2.434 155 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.214 155 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.214 155 G C -0.690 173.699 174.900 -0.853 0.000 1.202 155 G CA 0.482 45.266 45.100 -0.528 0.000 0.788 155 G HN 0.392 nan 8.290 nan 0.000 0.539 156 P HA -0.068 nan 4.420 nan 0.000 0.217 156 P C 1.549 178.685 177.300 -0.273 0.000 1.148 156 P CA 1.332 63.886 63.100 -0.910 0.000 0.828 156 P CB 0.030 31.312 31.700 -0.696 0.000 0.783 157 E N -0.782 119.277 120.200 -0.236 0.000 2.046 157 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 157 E C 2.040 178.605 176.600 -0.058 0.000 0.982 157 E CA 0.831 57.166 56.400 -0.109 0.000 0.800 157 E CB -0.537 29.111 29.700 -0.088 0.000 0.756 157 E HN 0.216 nan 8.360 nan 0.000 0.449 158 I N 0.680 121.222 120.570 -0.048 0.000 2.264 158 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 158 I C 2.333 178.484 176.117 0.058 0.000 1.111 158 I CA 1.032 62.336 61.300 0.007 0.000 1.382 158 I CB -0.293 37.725 38.000 0.030 0.000 1.060 158 I HN 0.391 nan 8.210 nan 0.000 0.418 159 W N 1.546 122.802 121.300 -0.074 0.000 2.381 159 W HA -0.211 4.449 4.660 -0.000 0.000 0.301 159 W C 2.483 178.982 176.519 -0.034 0.000 1.205 159 W CA 1.329 58.681 57.345 0.010 0.000 1.285 159 W CB -0.164 29.421 29.460 0.208 0.000 1.133 159 W HN 0.207 nan 8.180 nan 0.000 0.521 160 Q N 0.838 120.658 119.800 0.032 0.000 2.119 160 Q HA -0.221 4.119 4.340 -0.000 0.000 0.201 160 Q C 2.011 177.914 176.000 -0.163 0.000 0.972 160 Q CA 1.683 57.437 55.803 -0.083 0.000 0.847 160 Q CB -0.447 28.280 28.738 -0.019 0.000 0.903 160 Q HN 0.482 nan 8.270 nan 0.000 0.433 161 Q N -0.525 119.183 119.800 -0.152 0.000 2.297 161 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 161 Q C 1.472 177.269 176.000 -0.338 0.000 0.962 161 Q CA 1.549 57.231 55.803 -0.201 0.000 0.879 161 Q CB 0.292 28.937 28.738 -0.156 0.000 0.947 161 Q HN 0.472 nan 8.270 nan 0.000 0.462 162 T N -4.231 110.107 114.554 -0.361 0.000 3.105 162 T HA 0.277 4.627 4.350 -0.000 0.000 0.253 162 T C 1.228 175.683 174.700 -0.408 0.000 1.047 162 T CA 0.217 62.049 62.100 -0.447 0.000 0.944 162 T CB 0.531 69.164 68.868 -0.391 0.000 1.016 162 T HN 0.311 nan 8.240 nan 0.000 0.544 163 G N 1.185 109.742 108.800 -0.405 0.000 2.321 163 G HA2 0.045 4.005 3.960 -0.000 0.000 0.287 163 G HA3 0.045 4.005 3.960 -0.000 0.000 0.287 163 G C 1.155 175.695 174.900 -0.599 0.000 1.018 163 G CA 0.417 45.270 45.100 -0.411 0.000 0.855 163 G HN 1.792 nan 8.290 nan 0.000 0.507 164 G N -1.397 106.804 108.800 -0.998 0.000 2.184 164 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 164 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 164 G C 1.087 175.591 174.900 -0.660 0.000 0.975 164 G CA 1.196 45.400 45.100 -1.494 0.000 0.642 164 G HN 0.956 nan 8.290 nan 0.000 0.536 165 R N -0.362 119.904 120.500 -0.390 0.000 2.240 165 R HA 0.313 4.653 4.340 -0.000 0.000 0.203 165 R C 1.716 177.974 176.300 -0.069 0.000 1.011 165 R CA 0.260 56.256 56.100 -0.173 0.000 1.007 165 R CB 0.258 30.478 30.300 -0.134 0.000 0.911 165 R HN 0.609 nan 8.270 nan 0.000 0.468 166 I N 2.336 122.864 120.570 -0.070 0.000 2.845 166 I HA -0.183 3.987 4.170 -0.000 0.000 0.296 166 I C 1.092 177.284 176.117 0.125 0.000 1.216 166 I CA 1.148 62.489 61.300 0.069 0.000 1.438 166 I CB 0.928 39.005 38.000 0.128 0.000 1.342 166 I HN 0.232 nan 8.210 nan 0.000 0.577 167 T N 3.584 118.229 114.554 0.152 0.000 2.964 167 T HA 0.259 4.609 4.350 -0.000 0.000 0.249 167 T C 0.526 175.163 174.700 -0.105 0.000 1.000 167 T CA -0.086 62.051 62.100 0.062 0.000 0.992 167 T CB 0.039 68.973 68.868 0.109 0.000 1.087 167 T HN 0.687 nan 8.240 nan 0.000 0.489 168 H N -0.365 118.804 119.070 0.166 0.000 2.851 168 H HA 0.596 5.152 4.556 -0.000 0.000 0.372 168 H C -2.056 173.425 175.328 0.256 0.000 1.158 168 H CA -0.876 55.279 56.048 0.179 0.000 1.159 168 H CB 2.376 32.212 29.762 0.124 0.000 1.757 168 H HN 0.223 nan 8.280 nan 0.000 0.546 169 F N 1.995 122.067 119.950 0.203 0.000 2.547 169 F HA 0.474 5.001 4.527 -0.000 0.000 0.316 169 F C -1.613 174.269 175.800 0.138 0.000 1.121 169 F CA -0.584 57.509 58.000 0.155 0.000 0.911 169 F CB 1.328 40.407 39.000 0.131 0.000 1.179 169 F HN 0.196 nan 8.300 nan 0.000 0.443 170 V N 4.695 124.177 119.914 -0.720 0.000 2.525 170 V HA 0.605 4.725 4.120 -0.000 0.000 0.299 170 V C -0.899 174.762 176.094 -0.722 0.000 1.034 170 V CA -0.572 61.437 62.300 -0.485 0.000 0.863 170 V CB 1.584 33.284 31.823 -0.205 0.000 0.999 170 V HN 0.826 nan 8.190 nan 0.000 0.423 171 S N 3.450 118.868 115.700 -0.470 0.000 2.571 171 S HA 0.575 5.045 4.470 -0.000 0.000 0.284 171 S C -0.290 174.249 174.600 -0.101 0.000 1.128 171 S CA -0.443 57.583 58.200 -0.290 0.000 0.970 171 S CB 1.771 64.870 63.200 -0.167 0.000 1.039 171 S HN 0.679 nan 8.310 nan 0.000 0.485 172 S N 4.755 120.413 115.700 -0.069 0.000 2.549 172 S HA 0.338 4.808 4.470 -0.000 0.000 0.283 172 S C -0.064 174.544 174.600 0.013 0.000 1.320 172 S CA -0.139 58.047 58.200 -0.024 0.000 1.058 172 S CB 0.221 63.405 63.200 -0.027 0.000 0.882 172 S HN 0.743 nan 8.310 nan 0.000 0.498 173 M N 3.066 122.689 119.600 0.040 0.000 2.129 173 M HA 0.382 4.862 4.480 -0.000 0.000 0.348 173 M C 1.041 177.424 176.300 0.138 0.000 1.116 173 M CA -0.423 54.928 55.300 0.084 0.000 1.022 173 M CB 1.451 34.097 32.600 0.077 0.000 1.599 173 M HN 0.864 nan 8.290 nan 0.000 0.449 174 G N 0.559 109.464 108.800 0.174 0.000 2.583 174 G HA2 0.008 3.968 3.960 -0.000 0.000 0.214 174 G HA3 0.008 3.968 3.960 -0.000 0.000 0.214 174 G C 1.160 176.333 174.900 0.455 0.000 2.072 174 G CA 0.543 45.796 45.100 0.255 0.000 0.745 174 G HN 0.621 nan 8.290 nan 0.000 0.762 175 T N -1.058 113.662 114.554 0.276 0.000 2.962 175 T HA -0.028 4.322 4.350 -0.000 0.000 0.270 175 T C 1.750 176.542 174.700 0.153 0.000 1.088 175 T CA 2.870 65.103 62.100 0.222 0.000 1.127 175 T CB -0.732 68.082 68.868 -0.090 0.000 0.883 175 T HN 1.811 nan 8.240 nan 0.000 0.493 176 T N -3.203 111.424 114.554 0.122 0.000 6.412 176 T HA -0.208 4.142 4.350 -0.000 0.000 0.279 176 T C 1.681 176.462 174.700 0.135 0.000 2.177 176 T CA 1.355 63.506 62.100 0.086 0.000 3.599 176 T CB -2.412 66.429 68.868 -0.046 0.000 1.259 176 T HN 0.845 nan 8.240 nan 0.000 1.146 177 G N 0.741 109.617 108.800 0.126 0.000 2.440 177 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.218 177 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.218 177 G C 1.415 176.415 174.900 0.167 0.000 1.154 177 G CA 1.707 46.921 45.100 0.191 0.000 0.767 177 G HN 0.688 nan 8.290 nan 0.000 0.552 178 T N 0.728 115.208 114.554 -0.123 0.000 2.701 178 T HA -0.051 4.299 4.350 -0.000 0.000 0.263 178 T C 2.279 176.961 174.700 -0.030 0.000 1.040 178 T CA 1.014 62.790 62.100 -0.540 0.000 1.147 178 T CB -0.140 68.472 68.868 -0.427 0.000 0.865 178 T HN 0.232 nan 8.240 nan 0.000 0.426 179 I N 0.643 121.302 120.570 0.148 0.000 2.315 179 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 179 I C 2.360 178.622 176.117 0.242 0.000 1.117 179 I CA 1.169 62.657 61.300 0.313 0.000 1.404 179 I CB -0.209 37.977 38.000 0.309 0.000 1.071 179 I HN 0.246 nan 8.210 nan 0.000 0.419 180 T N 0.389 115.079 114.554 0.226 0.000 2.652 180 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 180 T C 1.711 176.513 174.700 0.169 0.000 1.039 180 T CA 1.571 63.789 62.100 0.198 0.000 1.153 180 T CB -0.950 68.043 68.868 0.208 0.000 0.863 180 T HN 0.604 nan 8.240 nan 0.000 0.428 181 G N 0.668 109.589 108.800 0.202 0.000 2.422 181 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 181 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 181 G C 1.699 176.735 174.900 0.227 0.000 1.146 181 G CA 0.881 46.137 45.100 0.260 0.000 0.769 181 G HN 0.442 nan 8.290 nan 0.000 0.547 182 V N 0.480 120.447 119.914 0.088 0.000 2.346 182 V HA -0.121 3.999 4.120 -0.000 0.000 0.244 182 V C 2.969 179.046 176.094 -0.029 0.000 1.037 182 V CA 2.024 64.266 62.300 -0.096 0.000 1.029 182 V CB -0.239 31.248 31.823 -0.559 0.000 0.663 182 V HN 0.467 nan 8.190 nan 0.000 0.454 183 S N -0.121 115.592 115.700 0.021 0.000 2.353 183 S HA -0.306 4.164 4.470 -0.000 0.000 0.222 183 S C 2.222 176.862 174.600 0.068 0.000 1.035 183 S CA 2.254 60.488 58.200 0.056 0.000 1.025 183 S CB -0.380 62.880 63.200 0.099 0.000 0.902 183 S HN 0.514 nan 8.310 nan 0.000 0.440 184 R N -0.717 119.851 120.500 0.114 0.000 2.134 184 R HA -0.189 4.151 4.340 -0.000 0.000 0.248 184 R C 2.131 178.561 176.300 0.216 0.000 1.143 184 R CA 2.251 58.432 56.100 0.135 0.000 0.957 184 R CB -0.691 29.692 30.300 0.139 0.000 0.867 184 R HN 0.570 nan 8.270 nan 0.000 0.441 185 F N 0.257 120.299 119.950 0.153 0.000 2.186 185 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 185 F C 2.006 177.697 175.800 -0.182 0.000 1.090 185 F CA 1.322 59.310 58.000 -0.020 0.000 1.307 185 F CB -0.013 38.874 39.000 -0.189 0.000 1.019 185 F HN 0.013 nan 8.300 nan 0.000 0.489 186 M N 0.017 119.544 119.600 -0.122 0.000 2.175 186 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 186 M C 2.133 178.251 176.300 -0.303 0.000 1.063 186 M CA 1.181 56.329 55.300 -0.253 0.000 1.119 186 M CB -1.050 31.514 32.600 -0.060 0.000 1.377 186 M HN 0.098 nan 8.290 nan 0.000 0.415 187 R N 0.959 121.349 120.500 -0.182 0.000 2.127 187 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 187 R C 1.719 177.887 176.300 -0.220 0.000 1.134 187 R CA 1.040 57.047 56.100 -0.156 0.000 0.975 187 R CB -0.708 29.540 30.300 -0.086 0.000 0.865 187 R HN 0.602 nan 8.270 nan 0.000 0.447 188 E N 0.774 120.784 120.200 -0.317 0.000 2.418 188 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 188 E C 0.232 176.576 176.600 -0.426 0.000 1.026 188 E CA 0.397 56.593 56.400 -0.341 0.000 0.862 188 E CB 0.123 29.600 29.700 -0.372 0.000 0.799 188 E HN 0.272 nan 8.360 nan 0.000 0.518 189 Q N 0.362 119.829 119.800 -0.554 0.000 2.256 189 Q HA 0.104 4.444 4.340 -0.000 0.000 0.232 189 Q C 1.349 177.194 176.000 -0.259 0.000 0.965 189 Q CA -0.001 55.478 55.803 -0.541 0.000 0.908 189 Q CB 1.282 29.445 28.738 -0.958 0.000 1.209 189 Q HN 0.060 nan 8.270 nan 0.000 0.489 190 S N 0.914 116.533 115.700 -0.135 0.000 2.335 190 S HA -0.114 4.356 4.470 -0.000 0.000 0.217 190 S C 0.573 175.167 174.600 -0.010 0.000 1.032 190 S CA 0.789 58.959 58.200 -0.049 0.000 0.985 190 S CB -0.392 62.806 63.200 -0.003 0.000 0.896 190 S HN 0.590 nan 8.310 nan 0.000 0.445 191 K N 3.621 124.057 120.400 0.059 0.000 2.319 191 K HA 0.463 4.783 4.320 -0.000 0.000 0.265 191 K C -2.828 173.801 176.600 0.049 0.000 1.000 191 K CA -1.465 54.869 56.287 0.079 0.000 0.943 191 K CB -0.588 31.997 32.500 0.141 0.000 0.950 191 K HN 0.145 nan 8.250 nan 0.000 0.485 192 P HA 0.243 nan 4.420 nan 0.000 0.282 192 P C -1.183 176.124 177.300 0.011 0.000 1.259 192 P CA -0.819 62.282 63.100 0.002 0.000 0.826 192 P CB 1.272 32.967 31.700 -0.009 0.000 1.064 193 V N 1.109 121.020 119.914 -0.006 0.000 2.532 193 V HA 0.193 4.313 4.120 -0.000 0.000 0.294 193 V C 0.050 176.133 176.094 -0.018 0.000 1.036 193 V CA -0.492 61.808 62.300 0.001 0.000 0.876 193 V CB 1.535 33.403 31.823 0.075 0.000 1.012 193 V HN 0.532 nan 8.190 nan 0.000 0.432 194 T N 6.501 120.986 114.554 -0.115 0.000 2.916 194 T HA 0.359 4.709 4.350 -0.000 0.000 0.303 194 T C -0.050 174.712 174.700 0.103 0.000 1.025 194 T CA 0.237 62.312 62.100 -0.043 0.000 1.142 194 T CB 0.223 69.007 68.868 -0.140 0.000 0.947 194 T HN 0.304 nan 8.240 nan 0.000 0.544 195 I N 4.034 124.693 120.570 0.149 0.000 2.362 195 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 195 I C -0.218 176.019 176.117 0.200 0.000 0.994 195 I CA -0.913 60.529 61.300 0.237 0.000 1.158 195 I CB 1.288 39.421 38.000 0.222 0.000 1.315 195 I HN 0.306 nan 8.210 nan 0.000 0.451 196 V N 5.744 125.768 119.914 0.183 0.000 2.350 196 V HA 0.639 4.759 4.120 -0.000 0.000 0.285 196 V C 0.672 176.811 176.094 0.074 0.000 1.014 196 V CA -0.588 61.784 62.300 0.120 0.000 0.831 196 V CB 1.483 33.365 31.823 0.098 0.000 1.000 196 V HN 0.893 nan 8.190 nan 0.000 0.433 197 G N 4.582 113.445 108.800 0.105 0.000 2.451 197 G HA2 0.762 4.722 3.960 -0.000 0.000 0.303 197 G HA3 0.762 4.722 3.960 -0.000 0.000 0.303 197 G C -0.964 173.969 174.900 0.055 0.000 1.166 197 G CA -0.545 44.608 45.100 0.089 0.000 0.884 197 G HN 0.594 nan 8.290 nan 0.000 0.514 198 L N 0.164 121.405 121.223 0.030 0.000 2.401 198 L HA 0.608 4.948 4.340 -0.000 0.000 0.266 198 L C -0.202 176.679 176.870 0.018 0.000 0.991 198 L CA -0.912 53.938 54.840 0.018 0.000 0.818 198 L CB 2.333 44.386 42.059 -0.010 0.000 1.321 198 L HN 0.757 nan 8.230 nan 0.000 0.413 199 Q N 0.903 120.712 119.800 0.015 0.000 2.495 199 Q HA 0.669 5.009 4.340 -0.000 0.000 0.287 199 Q C -2.943 173.048 176.000 -0.016 0.000 1.078 199 Q CA -2.285 53.516 55.803 -0.003 0.000 0.793 199 Q CB 2.438 31.181 28.738 0.009 0.000 1.459 199 Q HN 0.192 nan 8.270 nan 0.000 0.422 200 P HA 0.021 nan 4.420 nan 0.000 0.269 200 P C -0.584 176.709 177.300 -0.011 0.000 1.209 200 P CA 0.012 63.092 63.100 -0.032 0.000 0.776 200 P CB 0.519 32.182 31.700 -0.061 0.000 0.876 201 E N 1.402 121.614 120.200 0.021 0.000 2.461 201 E HA -0.117 4.233 4.350 -0.000 0.000 0.263 201 E C 1.379 177.986 176.600 0.012 0.000 1.143 201 E CA 0.245 56.665 56.400 0.033 0.000 0.994 201 E CB 0.291 30.044 29.700 0.088 0.000 0.973 201 E HN 0.384 nan 8.360 nan 0.000 0.457 202 E N 1.361 121.564 120.200 0.004 0.000 2.070 202 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 202 E C 1.691 178.284 176.600 -0.011 0.000 1.004 202 E CA 1.580 57.974 56.400 -0.010 0.000 0.805 202 E CB -0.308 29.387 29.700 -0.010 0.000 0.744 202 E HN 0.750 nan 8.360 nan 0.000 0.451 203 G N 0.635 109.442 108.800 0.012 0.000 2.623 203 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.214 203 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.214 203 G C 0.805 175.710 174.900 0.009 0.000 1.138 203 G CA -0.033 45.075 45.100 0.014 0.000 0.794 203 G HN 0.052 nan 8.290 nan 0.000 0.535 204 S N -0.375 115.335 115.700 0.017 0.000 2.585 204 S HA 0.451 4.921 4.470 -0.000 0.000 0.273 204 S C 0.090 174.659 174.600 -0.052 0.000 1.339 204 S CA -0.155 58.035 58.200 -0.016 0.000 1.028 204 S CB 1.540 64.736 63.200 -0.008 0.000 0.906 204 S HN 0.136 nan 8.310 nan 0.000 0.528 205 S N 1.714 117.373 115.700 -0.068 0.000 2.774 205 S HA 0.558 5.028 4.470 -0.000 0.000 0.297 205 S C -0.946 173.616 174.600 -0.064 0.000 1.143 205 S CA -0.677 57.484 58.200 -0.065 0.000 1.090 205 S CB -0.195 62.972 63.200 -0.055 0.000 1.019 205 S HN 0.575 nan 8.310 nan 0.000 0.482 206 I N 6.839 127.374 120.570 -0.058 0.000 2.466 206 I HA 0.319 4.489 4.170 -0.000 0.000 0.279 206 I C -1.804 174.308 176.117 -0.009 0.000 1.033 206 I CA -2.312 58.962 61.300 -0.042 0.000 1.123 206 I CB 2.080 40.046 38.000 -0.058 0.000 1.237 206 I HN 0.398 nan 8.210 nan 0.000 0.460 207 P HA -0.221 nan 4.420 nan 0.000 0.219 207 P C 1.526 178.859 177.300 0.056 0.000 1.151 207 P CA 1.364 64.502 63.100 0.064 0.000 0.850 207 P CB 0.282 32.081 31.700 0.166 0.000 0.784 208 G N -1.694 107.147 108.800 0.069 0.000 2.683 208 G HA2 0.169 4.129 3.960 -0.000 0.000 0.213 208 G HA3 0.169 4.129 3.960 -0.000 0.000 0.213 208 G C 0.647 175.568 174.900 0.034 0.000 1.142 208 G CA 0.110 45.246 45.100 0.059 0.000 0.793 208 G HN 0.372 nan 8.290 nan 0.000 0.534 209 I N -3.996 116.571 120.570 -0.005 0.000 3.145 209 I HA 0.855 5.025 4.170 -0.000 0.000 0.313 209 I C -0.996 175.040 176.117 -0.135 0.000 1.122 209 I CA -1.709 59.571 61.300 -0.034 0.000 0.987 209 I CB 2.277 40.263 38.000 -0.023 0.000 1.236 209 I HN -0.276 nan 8.210 nan 0.000 0.453 210 R N 0.909 121.258 120.500 -0.252 0.000 2.707 210 R HA 0.453 4.793 4.340 -0.000 0.000 0.272 210 R C -1.159 174.839 176.300 -0.502 0.000 1.011 210 R CA -1.036 54.792 56.100 -0.453 0.000 0.893 210 R CB 2.628 32.491 30.300 -0.729 0.000 1.233 210 R HN 0.600 nan 8.270 nan 0.000 0.464 211 R N 1.530 121.801 120.500 -0.382 0.000 2.296 211 R HA 0.108 4.448 4.340 -0.000 0.000 0.323 211 R C -1.029 175.082 176.300 -0.315 0.000 1.067 211 R CA 0.132 56.084 56.100 -0.246 0.000 0.946 211 R CB 0.495 30.709 30.300 -0.143 0.000 0.991 211 R HN 0.454 nan 8.270 nan 0.000 0.448 212 W N 7.002 128.268 121.300 -0.057 0.000 2.316 212 W HA 0.302 4.962 4.660 -0.000 0.000 0.308 212 W C -1.622 174.897 176.519 0.000 0.000 1.106 212 W CA -2.148 55.168 57.345 -0.049 0.000 1.262 212 W CB 1.164 30.584 29.460 -0.067 0.000 1.233 212 W HN 0.490 nan 8.180 nan 0.000 0.447 213 P HA 0.027 nan 4.420 nan 0.000 0.268 213 P C 0.894 178.358 177.300 0.274 0.000 1.205 213 P CA 0.149 63.393 63.100 0.240 0.000 0.771 213 P CB 0.633 32.484 31.700 0.253 0.000 0.858 214 T N -0.261 114.408 114.554 0.192 0.000 3.003 214 T HA -0.219 4.131 4.350 -0.000 0.000 0.270 214 T C 1.107 175.880 174.700 0.121 0.000 1.153 214 T CA 1.657 63.850 62.100 0.154 0.000 1.089 214 T CB -0.550 68.391 68.868 0.123 0.000 0.838 214 T HN 0.680 nan 8.240 nan 0.000 0.562 215 E N -0.419 119.862 120.200 0.134 0.000 2.244 215 E HA 0.029 4.379 4.350 -0.000 0.000 0.196 215 E C 1.273 177.867 176.600 -0.010 0.000 0.939 215 E CA -0.100 56.318 56.400 0.030 0.000 0.884 215 E CB -0.500 29.176 29.700 -0.040 0.000 0.850 215 E HN 0.489 nan 8.360 nan 0.000 0.481 216 Y N 1.964 122.298 120.300 0.056 0.000 2.616 216 Y HA 0.162 4.711 4.550 -0.000 0.000 0.296 216 Y C 0.739 176.546 175.900 -0.154 0.000 1.154 216 Y CA 0.015 58.143 58.100 0.046 0.000 1.325 216 Y CB -0.130 38.463 38.460 0.222 0.000 1.007 216 Y HN -0.041 nan 8.280 nan 0.000 0.542 217 L N 2.561 123.746 121.223 -0.064 0.000 2.693 217 L HA -0.115 4.225 4.340 -0.000 0.000 0.292 217 L C -1.912 174.693 176.870 -0.442 0.000 1.243 217 L CA -1.157 53.452 54.840 -0.384 0.000 0.903 217 L CB -0.239 41.785 42.059 -0.058 0.000 1.160 217 L HN -0.028 nan 8.230 nan 0.000 0.496 218 P HA -0.040 nan 4.420 nan 0.000 0.265 218 P C 0.769 178.023 177.300 -0.077 0.000 1.187 218 P CA 0.156 63.074 63.100 -0.304 0.000 0.766 218 P CB 0.628 32.202 31.700 -0.210 0.000 0.820 219 G N 2.203 110.996 108.800 -0.012 0.000 2.625 219 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 219 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 219 G C 1.070 175.992 174.900 0.036 0.000 1.132 219 G CA 0.135 45.241 45.100 0.010 0.000 0.782 219 G HN 0.445 nan 8.290 nan 0.000 0.538 220 I N -0.239 120.372 120.570 0.068 0.000 3.030 220 I HA 0.200 4.370 4.170 -0.000 0.000 0.270 220 I C 0.558 176.759 176.117 0.139 0.000 1.211 220 I CA -0.230 61.122 61.300 0.088 0.000 1.479 220 I CB -0.555 37.504 38.000 0.099 0.000 1.105 220 I HN 0.044 nan 8.210 nan 0.000 0.447 221 F N 3.150 123.073 119.950 -0.046 0.000 2.495 221 F HA 0.178 4.705 4.527 -0.000 0.000 0.365 221 F C 0.642 176.424 175.800 -0.030 0.000 1.090 221 F CA -0.426 57.549 58.000 -0.042 0.000 1.235 221 F CB 0.109 39.053 39.000 -0.093 0.000 1.119 221 F HN -0.050 nan 8.300 nan 0.000 0.562 222 N N 4.451 122.870 118.700 -0.467 0.000 2.518 222 N HA 0.345 5.085 4.740 -0.000 0.000 0.254 222 N C 0.357 175.366 175.510 -0.835 0.000 0.979 222 N CA 0.160 52.919 53.050 -0.485 0.000 0.930 222 N CB 1.597 39.947 38.487 -0.229 0.000 1.152 222 N HN 0.730 nan 8.380 nan 0.000 0.505 223 A N 2.411 124.722 122.820 -0.848 0.000 1.972 223 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 223 A C 1.860 179.260 177.584 -0.307 0.000 1.169 223 A CA 1.949 53.583 52.037 -0.672 0.000 0.635 223 A CB -0.522 18.294 19.000 -0.307 0.000 0.810 223 A HN 0.724 nan 8.150 nan 0.000 0.446 224 S N -0.740 114.823 115.700 -0.229 0.000 2.603 224 S HA 0.117 4.587 4.470 -0.000 0.000 0.229 224 S C 1.363 175.906 174.600 -0.096 0.000 0.972 224 S CA 0.868 58.994 58.200 -0.123 0.000 0.935 224 S CB -0.446 62.695 63.200 -0.098 0.000 0.769 224 S HN 0.474 nan 8.310 nan 0.000 0.536 225 L N 0.710 121.860 121.223 -0.122 0.000 2.513 225 L HA 0.315 4.655 4.340 -0.000 0.000 0.222 225 L C -0.123 176.766 176.870 0.031 0.000 1.096 225 L CA 0.002 54.817 54.840 -0.041 0.000 0.857 225 L CB 0.420 42.458 42.059 -0.035 0.000 1.026 225 L HN 0.207 nan 8.230 nan 0.000 0.469 226 V N 0.514 120.448 119.914 0.033 0.000 2.333 226 V HA 0.092 4.212 4.120 -0.000 0.000 0.274 226 V C 0.560 176.707 176.094 0.088 0.000 1.028 226 V CA -0.424 61.948 62.300 0.121 0.000 0.851 226 V CB 1.255 33.210 31.823 0.221 0.000 1.000 226 V HN 0.145 nan 8.190 nan 0.000 0.456 227 D N 3.196 123.651 120.400 0.092 0.000 2.178 227 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 227 D C 0.767 177.118 176.300 0.084 0.000 0.974 227 D CA 1.246 55.291 54.000 0.075 0.000 0.841 227 D CB 0.813 41.658 40.800 0.074 0.000 0.953 227 D HN 0.735 nan 8.370 nan 0.000 0.478 228 E N -0.316 119.947 120.200 0.105 0.000 2.354 228 E HA 0.317 4.667 4.350 -0.000 0.000 0.283 228 E C -1.853 174.811 176.600 0.107 0.000 0.938 228 E CA -0.434 56.025 56.400 0.098 0.000 0.777 228 E CB 2.210 31.968 29.700 0.096 0.000 1.222 228 E HN -0.305 nan 8.360 nan 0.000 0.423 229 V N 4.931 124.904 119.914 0.098 0.000 2.495 229 V HA 0.527 4.647 4.120 -0.000 0.000 0.298 229 V C -0.295 175.840 176.094 0.069 0.000 1.031 229 V CA -0.614 61.744 62.300 0.097 0.000 0.871 229 V CB 1.412 33.306 31.823 0.119 0.000 0.988 229 V HN 0.581 nan 8.190 nan 0.000 0.432 230 L N 3.110 124.365 121.223 0.054 0.000 2.354 230 L HA 0.668 5.008 4.340 -0.000 0.000 0.269 230 L C -0.936 175.952 176.870 0.029 0.000 1.005 230 L CA -0.868 53.994 54.840 0.037 0.000 0.819 230 L CB 2.333 44.407 42.059 0.026 0.000 1.311 230 L HN 0.492 nan 8.230 nan 0.000 0.423 231 D N 2.068 122.482 120.400 0.024 0.000 2.225 231 D HA 0.520 5.160 4.640 -0.000 0.000 0.249 231 D C -0.512 175.801 176.300 0.021 0.000 1.052 231 D CA -0.054 53.959 54.000 0.021 0.000 0.909 231 D CB 2.146 42.958 40.800 0.020 0.000 1.186 231 D HN 0.063 nan 8.370 nan 0.000 0.431 232 I N 1.992 122.576 120.570 0.023 0.000 2.439 232 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 232 I C -0.150 176.003 176.117 0.061 0.000 1.021 232 I CA -0.576 60.739 61.300 0.025 0.000 1.091 232 I CB 1.163 39.158 38.000 -0.008 0.000 1.242 232 I HN 0.361 nan 8.210 nan 0.000 0.439 233 H N 5.114 124.164 119.070 -0.034 0.000 2.848 233 H HA 0.037 4.593 4.556 -0.000 0.000 0.341 233 H C 1.097 176.398 175.328 -0.045 0.000 1.060 233 H CA 0.716 56.742 56.048 -0.037 0.000 1.444 233 H CB 0.973 30.715 29.762 -0.032 0.000 1.446 233 H HN 0.642 nan 8.280 nan 0.000 0.583 234 Q N 3.479 123.034 119.800 -0.407 0.000 2.112 234 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 234 Q C 1.685 177.448 176.000 -0.395 0.000 0.987 234 Q CA 1.703 57.292 55.803 -0.356 0.000 0.858 234 Q CB 0.067 28.614 28.738 -0.317 0.000 0.905 234 Q HN 0.512 nan 8.270 nan 0.000 0.420 235 R N 0.943 121.046 120.500 -0.662 0.000 2.096 235 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 235 R C 1.510 177.714 176.300 -0.161 0.000 1.127 235 R CA 1.953 57.850 56.100 -0.339 0.000 0.968 235 R CB -0.555 29.603 30.300 -0.238 0.000 0.861 235 R HN 0.500 nan 8.270 nan 0.000 0.440 236 D N -0.254 120.088 120.400 -0.096 0.000 2.178 236 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 236 D C 1.593 177.847 176.300 -0.077 0.000 0.974 236 D CA 1.460 55.436 54.000 -0.040 0.000 0.841 236 D CB -0.180 40.628 40.800 0.014 0.000 0.953 236 D HN 0.308 nan 8.370 nan 0.000 0.478 237 A N 1.200 123.956 122.820 -0.107 0.000 1.898 237 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 237 A C 2.096 179.586 177.584 -0.158 0.000 1.181 237 A CA 1.211 53.176 52.037 -0.121 0.000 0.620 237 A CB -0.423 18.502 19.000 -0.124 0.000 0.819 237 A HN 0.153 nan 8.150 nan 0.000 0.442 238 E N -0.096 119.996 120.200 -0.179 0.000 2.106 238 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 238 E C 1.753 178.234 176.600 -0.197 0.000 0.984 238 E CA 1.022 57.291 56.400 -0.219 0.000 0.806 238 E CB -0.156 29.421 29.700 -0.206 0.000 0.750 238 E HN 0.516 nan 8.360 nan 0.000 0.458 239 N N 0.258 118.877 118.700 -0.135 0.000 2.106 239 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 239 N C 1.888 177.349 175.510 -0.081 0.000 1.029 239 N CA 1.398 54.392 53.050 -0.094 0.000 0.848 239 N CB -0.645 37.806 38.487 -0.059 0.000 1.007 239 N HN 0.050 nan 8.380 nan 0.000 0.423 240 T N 1.804 116.312 114.554 -0.078 0.000 2.759 240 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 240 T C 1.873 176.535 174.700 -0.064 0.000 1.042 240 T CA 0.956 63.020 62.100 -0.061 0.000 1.140 240 T CB -0.116 68.717 68.868 -0.060 0.000 0.864 240 T HN 0.276 nan 8.240 nan 0.000 0.455 241 M N 0.648 120.180 119.600 -0.113 0.000 2.099 241 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 241 M C 2.407 178.687 176.300 -0.033 0.000 1.067 241 M CA 1.612 56.840 55.300 -0.120 0.000 1.124 241 M CB -0.109 32.326 32.600 -0.274 0.000 1.353 241 M HN 0.047 nan 8.290 nan 0.000 0.410 242 R N 0.038 120.477 120.500 -0.103 0.000 2.091 242 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 242 R C 2.239 178.594 176.300 0.092 0.000 1.136 242 R CA 2.028 58.145 56.100 0.028 0.000 0.959 242 R CB -0.441 29.832 30.300 -0.044 0.000 0.856 242 R HN 0.573 nan 8.270 nan 0.000 0.437 243 E N 0.702 120.920 120.200 0.029 0.000 2.077 243 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 243 E C 2.021 178.648 176.600 0.044 0.000 0.989 243 E CA 0.877 57.293 56.400 0.027 0.000 0.800 243 E CB 0.019 29.718 29.700 -0.001 0.000 0.746 243 E HN 0.257 nan 8.360 nan 0.000 0.452 244 L N 0.322 121.574 121.223 0.049 0.000 2.012 244 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 244 L C 2.589 179.516 176.870 0.095 0.000 1.073 244 L CA 1.353 56.227 54.840 0.057 0.000 0.748 244 L CB -0.401 41.688 42.059 0.049 0.000 0.891 244 L HN 0.203 nan 8.230 nan 0.000 0.431 245 A N -0.861 122.060 122.820 0.167 0.000 1.902 245 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 245 A C 2.285 179.920 177.584 0.086 0.000 1.181 245 A CA 1.859 54.003 52.037 0.179 0.000 0.623 245 A CB -0.757 18.423 19.000 0.299 0.000 0.818 245 A HN 0.211 nan 8.150 nan 0.000 0.443 246 V N -0.485 119.476 119.914 0.079 0.000 2.407 246 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 246 V C 2.496 178.604 176.094 0.022 0.000 1.041 246 V CA 2.061 64.386 62.300 0.042 0.000 1.040 246 V CB -0.625 31.225 31.823 0.044 0.000 0.671 246 V HN 0.521 nan 8.190 nan 0.000 0.455 247 R N -0.929 119.583 120.500 0.021 0.000 2.282 247 R HA 0.140 4.480 4.340 -0.000 0.000 0.195 247 R C 1.535 177.835 176.300 -0.001 0.000 0.909 247 R CA 0.305 56.408 56.100 0.005 0.000 1.039 247 R CB 0.356 30.656 30.300 -0.000 0.000 1.015 247 R HN 0.406 nan 8.270 nan 0.000 0.513 248 E N -0.898 119.307 120.200 0.009 0.000 2.508 248 E HA 0.135 4.485 4.350 -0.000 0.000 0.217 248 E C 0.835 177.443 176.600 0.013 0.000 0.896 248 E CA 0.592 56.993 56.400 0.001 0.000 1.118 248 E CB 1.575 31.274 29.700 -0.002 0.000 1.133 248 E HN 0.358 nan 8.360 nan 0.000 0.526 249 G N 1.930 110.747 108.800 0.028 0.000 2.159 249 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.256 249 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.256 249 G C 0.271 175.213 174.900 0.071 0.000 0.977 249 G CA 0.117 45.237 45.100 0.033 0.000 0.652 249 G HN 0.174 nan 8.290 nan 0.000 0.531 250 I N 0.887 121.511 120.570 0.089 0.000 2.297 250 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 250 I C -0.348 175.887 176.117 0.196 0.000 1.033 250 I CA -0.827 60.541 61.300 0.113 0.000 1.253 250 I CB 0.666 38.706 38.000 0.067 0.000 1.396 250 I HN 0.088 nan 8.210 nan 0.000 0.476 251 F N 8.955 128.917 119.950 0.020 0.000 2.311 251 F HA 0.475 5.002 4.527 -0.000 0.000 0.371 251 F C 0.183 176.009 175.800 0.044 0.000 1.083 251 F CA -1.042 56.970 58.000 0.019 0.000 1.113 251 F CB 0.411 39.380 39.000 -0.051 0.000 1.349 251 F HN 0.592 nan 8.300 nan 0.000 0.470 252 C N 2.350 121.528 119.300 -0.202 0.000 3.161 252 C HA 1.017 5.477 4.460 -0.000 0.000 0.330 252 C C 0.724 175.505 174.990 -0.349 0.000 1.396 252 C CA -0.333 58.538 59.018 -0.245 0.000 1.536 252 C CB 1.136 28.810 27.740 -0.111 0.000 1.978 252 C HN 0.955 nan 8.230 nan 0.000 0.454 253 G N 0.006 108.526 108.800 -0.466 0.000 2.543 253 G HA2 0.466 4.426 3.960 -0.000 0.000 0.290 253 G HA3 0.466 4.426 3.960 -0.000 0.000 0.290 253 G C 0.653 175.155 174.900 -0.664 0.000 1.310 253 G CA 0.065 44.521 45.100 -1.072 0.000 1.025 253 G HN 1.045 nan 8.290 nan 0.000 0.502 254 V N 0.679 120.173 119.914 -0.701 0.000 2.427 254 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 254 V C 3.211 179.184 176.094 -0.202 0.000 1.051 254 V CA 2.365 64.459 62.300 -0.344 0.000 1.048 254 V CB -0.587 31.105 31.823 -0.217 0.000 0.666 254 V HN 0.828 nan 8.190 nan 0.000 0.456 255 S N 0.520 116.132 115.700 -0.146 0.000 2.382 255 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 255 S C 2.041 176.586 174.600 -0.091 0.000 1.027 255 S CA 1.773 59.924 58.200 -0.082 0.000 0.991 255 S CB -0.637 62.547 63.200 -0.028 0.000 0.823 255 S HN 0.536 nan 8.310 nan 0.000 0.469 256 S N 1.955 117.587 115.700 -0.114 0.000 2.368 256 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 256 S C 2.211 176.755 174.600 -0.093 0.000 1.029 256 S CA 0.958 59.103 58.200 -0.092 0.000 0.988 256 S CB -1.298 61.844 63.200 -0.097 0.000 0.838 256 S HN 0.759 nan 8.310 nan 0.000 0.462 257 G N 1.636 110.361 108.800 -0.125 0.000 2.476 257 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 257 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 257 G C 1.451 176.298 174.900 -0.090 0.000 1.164 257 G CA 1.083 46.116 45.100 -0.111 0.000 0.768 257 G HN 0.568 nan 8.290 nan 0.000 0.560 258 G N 1.021 109.765 108.800 -0.093 0.000 2.421 258 G HA2 0.039 3.999 3.960 -0.000 0.000 0.216 258 G HA3 0.039 3.999 3.960 -0.000 0.000 0.216 258 G C 2.072 176.936 174.900 -0.061 0.000 1.171 258 G CA 1.560 46.618 45.100 -0.071 0.000 0.775 258 G HN 0.692 nan 8.290 nan 0.000 0.543 259 A N -0.013 122.767 122.820 -0.066 0.000 1.933 259 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 259 A C 2.583 180.130 177.584 -0.061 0.000 1.175 259 A CA 1.825 53.819 52.037 -0.070 0.000 0.628 259 A CB -0.500 18.452 19.000 -0.080 0.000 0.814 259 A HN 0.267 nan 8.150 nan 0.000 0.444 260 V N -0.299 119.584 119.914 -0.052 0.000 2.453 260 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 260 V C 3.028 179.098 176.094 -0.039 0.000 1.048 260 V CA 1.619 63.895 62.300 -0.040 0.000 1.049 260 V CB -1.187 30.615 31.823 -0.035 0.000 0.672 260 V HN 0.605 nan 8.190 nan 0.000 0.457 261 A N 0.842 123.636 122.820 -0.042 0.000 1.892 261 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 261 A C 2.429 179.994 177.584 -0.032 0.000 1.188 261 A CA 2.227 54.243 52.037 -0.035 0.000 0.631 261 A CB -1.332 17.646 19.000 -0.036 0.000 0.822 261 A HN 0.523 nan 8.150 nan 0.000 0.447 262 G N -0.823 107.957 108.800 -0.035 0.000 2.418 262 G HA2 0.031 3.991 3.960 -0.000 0.000 0.217 262 G HA3 0.031 3.991 3.960 -0.000 0.000 0.217 262 G C 1.730 176.608 174.900 -0.037 0.000 1.158 262 G CA 1.423 46.504 45.100 -0.031 0.000 0.771 262 G HN 0.853 nan 8.290 nan 0.000 0.545 263 A N 0.148 122.943 122.820 -0.041 0.000 1.972 263 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 263 A C 2.320 179.881 177.584 -0.040 0.000 1.169 263 A CA 1.254 53.269 52.037 -0.037 0.000 0.635 263 A CB -0.294 18.690 19.000 -0.025 0.000 0.810 263 A HN 0.299 nan 8.150 nan 0.000 0.446 264 L N -0.582 120.619 121.223 -0.036 0.000 2.044 264 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 264 L C 2.501 179.348 176.870 -0.039 0.000 1.075 264 L CA 1.718 56.536 54.840 -0.036 0.000 0.747 264 L CB -1.016 41.024 42.059 -0.032 0.000 0.903 264 L HN 0.319 nan 8.230 nan 0.000 0.435 265 R N -1.347 119.132 120.500 -0.035 0.000 2.105 265 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 265 R C 2.194 178.464 176.300 -0.049 0.000 1.135 265 R CA 1.278 57.358 56.100 -0.033 0.000 0.967 265 R CB -0.484 29.803 30.300 -0.022 0.000 0.861 265 R HN 0.181 nan 8.270 nan 0.000 0.442 266 V N 0.269 120.141 119.914 -0.071 0.000 2.453 266 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 266 V C 2.225 178.218 176.094 -0.168 0.000 1.048 266 V CA 1.828 64.046 62.300 -0.135 0.000 1.049 266 V CB -0.444 31.277 31.823 -0.169 0.000 0.672 266 V HN 0.432 nan 8.190 nan 0.000 0.457 267 A N -0.334 122.420 122.820 -0.110 0.000 1.929 267 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 267 A C 2.267 179.819 177.584 -0.054 0.000 1.176 267 A CA 1.618 53.607 52.037 -0.080 0.000 0.628 267 A CB -0.377 18.596 19.000 -0.046 0.000 0.816 267 A HN 0.499 nan 8.150 nan 0.000 0.444 268 K N -0.297 120.076 120.400 -0.045 0.000 2.103 268 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 268 K C 1.889 178.473 176.600 -0.026 0.000 1.048 268 K CA 1.275 57.544 56.287 -0.029 0.000 0.930 268 K CB -0.239 32.247 32.500 -0.024 0.000 0.716 268 K HN 0.442 nan 8.250 nan 0.000 0.444 269 A N 0.623 123.421 122.820 -0.037 0.000 2.251 269 A HA 0.043 4.363 4.320 -0.000 0.000 0.209 269 A C 0.052 177.623 177.584 -0.021 0.000 1.187 269 A CA 0.186 52.208 52.037 -0.025 0.000 0.823 269 A CB 0.148 19.135 19.000 -0.022 0.000 0.846 269 A HN 0.191 nan 8.150 nan 0.000 0.486 270 N N -0.079 118.597 118.700 -0.040 0.000 2.648 270 N HA 0.198 4.938 4.740 -0.000 0.000 0.261 270 N C -2.609 172.905 175.510 0.008 0.000 1.138 270 N CA -1.033 52.011 53.050 -0.011 0.000 0.804 270 N CB 1.803 40.261 38.487 -0.047 0.000 1.237 270 N HN -0.135 nan 8.380 nan 0.000 0.532 271 P HA -0.185 nan 4.420 nan 0.000 0.214 271 P C 0.223 177.546 177.300 0.039 0.000 1.164 271 P CA 1.570 64.685 63.100 0.025 0.000 0.942 271 P CB 0.274 31.991 31.700 0.028 0.000 0.791 272 D N -1.210 119.224 120.400 0.056 0.000 2.561 272 D HA 0.276 4.916 4.640 -0.000 0.000 0.232 272 D C 0.337 176.696 176.300 0.099 0.000 1.198 272 D CA -0.029 54.012 54.000 0.068 0.000 0.826 272 D CB -0.239 40.597 40.800 0.059 0.000 0.992 272 D HN 0.113 nan 8.370 nan 0.000 0.490 273 A N 0.198 123.083 122.820 0.109 0.000 2.425 273 A HA 0.295 4.615 4.320 -0.000 0.000 0.242 273 A C 0.376 178.066 177.584 0.176 0.000 1.077 273 A CA -0.131 52.009 52.037 0.171 0.000 0.781 273 A CB 0.810 19.875 19.000 0.109 0.000 1.020 273 A HN 0.067 nan 8.150 nan 0.000 0.494 274 V N 3.601 123.652 119.914 0.227 0.000 2.266 274 V HA 0.220 4.340 4.120 -0.000 0.000 0.271 274 V C -0.233 176.031 176.094 0.282 0.000 1.032 274 V CA -0.413 62.036 62.300 0.249 0.000 0.806 274 V CB 0.688 32.615 31.823 0.174 0.000 1.052 274 V HN 0.606 nan 8.190 nan 0.000 0.449 275 V N 4.819 124.894 119.914 0.269 0.000 2.498 275 V HA 0.378 4.498 4.120 -0.000 0.000 0.279 275 V C 0.193 176.456 176.094 0.281 0.000 1.048 275 V CA -0.414 62.035 62.300 0.247 0.000 0.967 275 V CB 1.682 33.579 31.823 0.124 0.000 0.988 275 V HN 0.483 nan 8.190 nan 0.000 0.473 276 V N 4.325 124.404 119.914 0.274 0.000 2.384 276 V HA 0.763 4.883 4.120 -0.000 0.000 0.287 276 V C 0.369 176.547 176.094 0.141 0.000 1.020 276 V CA -0.319 62.150 62.300 0.282 0.000 0.850 276 V CB 1.505 33.541 31.823 0.356 0.000 0.987 276 V HN 1.048 nan 8.190 nan 0.000 0.436 277 A N 6.232 129.103 122.820 0.085 0.000 2.340 277 A HA 0.843 5.163 4.320 -0.000 0.000 0.331 277 A C -0.588 176.992 177.584 -0.006 0.000 1.140 277 A CA -0.674 51.331 52.037 -0.054 0.000 0.801 277 A CB 0.925 19.903 19.000 -0.037 0.000 1.234 277 A HN 0.627 nan 8.150 nan 0.000 0.469 278 I N 2.877 123.400 120.570 -0.078 0.000 2.342 278 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 278 I C -0.442 175.674 176.117 -0.001 0.000 1.010 278 I CA -0.229 61.077 61.300 0.011 0.000 1.308 278 I CB 0.968 38.976 38.000 0.012 0.000 1.400 278 I HN 0.350 nan 8.210 nan 0.000 0.488 279 I N 6.364 126.950 120.570 0.028 0.000 2.307 279 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 279 I C 1.009 177.139 176.117 0.023 0.000 1.021 279 I CA -0.183 61.124 61.300 0.011 0.000 1.224 279 I CB 1.063 39.075 38.000 0.021 0.000 1.376 279 I HN 0.661 nan 8.210 nan 0.000 0.470 280 C N 3.868 123.175 119.300 0.013 0.000 2.475 280 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 280 C C 0.917 175.938 174.990 0.051 0.000 1.322 280 C CA 0.417 59.457 59.018 0.037 0.000 1.734 280 C CB -0.839 26.924 27.740 0.038 0.000 2.005 280 C HN 0.899 nan 8.230 nan 0.000 0.495 281 D N -1.773 118.651 120.400 0.041 0.000 2.677 281 D HA 0.313 4.953 4.640 -0.000 0.000 0.298 281 D C -0.920 175.386 176.300 0.010 0.000 1.250 281 D CA -0.748 53.288 54.000 0.060 0.000 0.888 281 D CB 0.357 41.236 40.800 0.133 0.000 1.397 281 D HN 0.039 nan 8.370 nan 0.000 0.461 282 R N -1.212 119.296 120.500 0.014 0.000 2.577 282 R HA 0.590 4.930 4.340 -0.000 0.000 0.269 282 R C 1.458 177.638 176.300 -0.201 0.000 1.084 282 R CA -0.095 55.949 56.100 -0.093 0.000 1.163 282 R CB 0.682 30.976 30.300 -0.010 0.000 1.100 282 R HN 0.630 nan 8.270 nan 0.000 0.547 283 G N 0.298 108.624 108.800 -0.789 0.000 2.650 283 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.214 283 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.214 283 G C 0.421 175.097 174.900 -0.372 0.000 1.136 283 G CA 0.329 44.821 45.100 -1.014 0.000 0.789 283 G HN 0.617 nan 8.290 nan 0.000 0.536 284 D N 0.659 120.993 120.400 -0.110 0.000 2.116 284 D HA -0.106 4.534 4.640 -0.000 0.000 0.193 284 D C 2.461 178.847 176.300 0.143 0.000 0.998 284 D CA 0.848 54.962 54.000 0.189 0.000 0.836 284 D CB -0.053 40.848 40.800 0.169 0.000 0.951 284 D HN 0.215 nan 8.370 nan 0.000 0.449 285 R N -0.756 119.791 120.500 0.078 0.000 2.323 285 R HA 0.001 4.341 4.340 -0.000 0.000 0.198 285 R C 1.059 177.277 176.300 -0.137 0.000 0.988 285 R CA 0.318 56.389 56.100 -0.048 0.000 1.041 285 R CB 0.026 30.241 30.300 -0.141 0.000 0.926 285 R HN 0.395 nan 8.270 nan 0.000 0.476 286 Y N -0.265 120.073 120.300 0.064 0.000 2.510 286 Y HA 0.062 4.612 4.550 -0.000 0.000 0.273 286 Y C 1.927 177.944 175.900 0.196 0.000 1.119 286 Y CA 0.133 58.307 58.100 0.123 0.000 1.286 286 Y CB 0.116 38.678 38.460 0.170 0.000 1.061 286 Y HN -0.042 nan 8.280 nan 0.000 0.542 287 L N -0.304 121.106 121.223 0.311 0.000 2.042 287 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 287 L C 2.504 179.488 176.870 0.191 0.000 1.076 287 L CA 1.900 56.903 54.840 0.272 0.000 0.749 287 L CB -0.585 41.578 42.059 0.173 0.000 0.893 287 L HN 0.306 nan 8.230 nan 0.000 0.432 288 S N -1.792 113.982 115.700 0.123 0.000 2.481 288 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 288 S C 1.865 176.511 174.600 0.077 0.000 0.996 288 S CA 0.991 59.239 58.200 0.079 0.000 0.942 288 S CB -0.705 62.521 63.200 0.044 0.000 0.768 288 S HN 0.569 nan 8.310 nan 0.000 0.520 289 T N -2.464 112.148 114.554 0.096 0.000 3.118 289 T HA 0.387 4.737 4.350 -0.000 0.000 0.260 289 T C 1.708 176.462 174.700 0.090 0.000 1.139 289 T CA 0.876 63.024 62.100 0.080 0.000 1.085 289 T CB -0.671 68.246 68.868 0.081 0.000 0.934 289 T HN 1.187 nan 8.240 nan 0.000 0.518 290 G N 0.475 109.350 108.800 0.126 0.000 2.179 290 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 290 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 290 G C 0.874 175.836 174.900 0.104 0.000 0.977 290 G CA 0.230 45.398 45.100 0.113 0.000 0.641 290 G HN 0.667 nan 8.290 nan 0.000 0.533 291 V N -0.239 119.729 119.914 0.090 0.000 3.186 291 V HA 0.153 4.273 4.120 -0.000 0.000 0.270 291 V C 1.132 177.120 176.094 -0.177 0.000 1.149 291 V CA 1.132 63.399 62.300 -0.054 0.000 1.160 291 V CB -0.689 31.062 31.823 -0.120 0.000 0.758 291 V HN 0.342 nan 8.190 nan 0.000 0.516 292 F N 0.760 120.749 119.950 0.065 0.000 2.371 292 F HA 0.683 5.210 4.527 -0.000 0.000 0.363 292 F C 0.822 176.649 175.800 0.043 0.000 1.122 292 F CA 0.396 58.436 58.000 0.067 0.000 1.129 292 F CB 1.079 40.151 39.000 0.120 0.000 1.173 292 F HN 0.143 nan 8.300 nan 0.000 0.489 293 G N 0.000 108.884 108.800 0.141 0.000 5.446 293 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 293 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 293 G CA 0.000 45.150 45.100 0.083 0.000 0.502 293 G HN 0.000 nan 8.290 nan 0.000 0.925