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 1z39_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATPHNSAQVG DFAETVLMCG DPLRAKLIAE TYLENPKLVN NVRGIQGYTG DATA SEQUENCE TYKGKPISVM GHGMGLPSIC IYAEELYSTY KVKTIIRVGT CGAIDMDIHT DATA SEQUENCE RDIVIFTSAG TNSKINRIRF MDHDYPATAS FDVVCALVDA AKELNIPAKV DATA SEQUENCE GKGFSTDLFY NPQTELAQLM NKFHFLAVEM ESAGLFPIAD LYGARAGCIC DATA SEQUENCE TVSDHILHHE XXXXXERQNS FQNMMKIALE AAIKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.618 177.584 0.057 0.000 1.274 1 A CA 0.000 52.078 52.037 0.068 0.000 0.836 1 A CB 0.000 19.031 19.000 0.052 0.000 0.831 2 T N -2.915 111.715 114.554 0.128 0.000 2.907 2 T HA 0.639 4.989 4.350 -0.001 0.000 0.290 2 T C -2.579 172.146 174.700 0.041 0.000 1.066 2 T CA -1.145 61.015 62.100 0.101 0.000 1.012 2 T CB 1.751 70.733 68.868 0.189 0.000 1.184 2 T HN -0.114 nan 8.240 nan 0.000 0.522 3 P HA 0.058 nan 4.420 nan 0.000 0.225 3 P C 0.204 177.206 177.300 -0.497 0.000 1.148 3 P CA 1.056 63.973 63.100 -0.304 0.000 0.779 3 P CB -0.076 31.362 31.700 -0.436 0.000 0.780 4 H N -3.772 115.324 119.070 0.043 0.000 2.923 4 H HA 0.322 4.877 4.556 -0.002 0.000 0.268 4 H C 0.009 175.430 175.328 0.155 0.000 1.148 4 H CA -0.338 55.756 56.048 0.078 0.000 1.146 4 H CB 0.071 29.819 29.762 -0.022 0.000 1.607 4 H HN 0.028 nan 8.280 nan 0.000 0.566 5 N N 0.114 118.949 118.700 0.225 0.000 2.454 5 N HA 0.115 4.854 4.740 -0.001 0.000 0.291 5 N C 0.317 175.955 175.510 0.213 0.000 1.079 5 N CA -0.048 53.134 53.050 0.219 0.000 0.893 5 N CB 1.202 39.827 38.487 0.230 0.000 1.512 5 N HN 0.109 nan 8.380 nan 0.000 0.497 6 S N 1.615 117.403 115.700 0.147 0.000 2.501 6 S HA 0.227 4.697 4.470 -0.001 0.000 0.220 6 S C 0.956 175.645 174.600 0.148 0.000 0.997 6 S CA -0.247 58.023 58.200 0.116 0.000 0.919 6 S CB 0.146 63.378 63.200 0.054 0.000 0.778 6 S HN 0.601 nan 8.310 nan 0.000 0.523 7 A N 2.188 125.121 122.820 0.188 0.000 2.409 7 A HA 0.450 4.769 4.320 -0.001 0.000 0.246 7 A C 0.443 178.283 177.584 0.427 0.000 1.099 7 A CA -0.466 51.694 52.037 0.205 0.000 0.789 7 A CB 0.085 19.144 19.000 0.098 0.000 1.053 7 A HN 0.695 nan 8.150 nan 0.000 0.503 8 Q N -0.138 119.862 119.800 0.333 0.000 2.351 8 Q HA 0.618 4.957 4.340 -0.001 0.000 0.273 8 Q C -1.011 175.191 176.000 0.337 0.000 1.077 8 Q CA -1.077 54.891 55.803 0.276 0.000 0.843 8 Q CB 1.173 29.985 28.738 0.122 0.000 1.367 8 Q HN 0.390 nan 8.270 nan 0.000 0.449 9 V N 1.416 121.420 119.914 0.150 0.000 2.584 9 V HA 0.199 4.319 4.120 -0.001 0.000 0.303 9 V C 1.360 177.557 176.094 0.172 0.000 1.035 9 V CA 1.651 64.038 62.300 0.145 0.000 1.172 9 V CB -0.458 31.369 31.823 0.006 0.000 0.896 9 V HN 1.155 nan 8.190 nan 0.000 0.486 10 G N 3.535 112.469 108.800 0.223 0.000 2.259 10 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 10 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 10 G C 0.479 175.448 174.900 0.114 0.000 1.001 10 G CA 0.227 45.413 45.100 0.144 0.000 0.627 10 G HN 0.648 nan 8.290 nan 0.000 0.501 11 D N 0.064 120.535 120.400 0.118 0.000 2.224 11 D HA 0.175 4.814 4.640 -0.001 0.000 0.205 11 D C 0.725 176.887 176.300 -0.231 0.000 0.965 11 D CA 0.579 54.534 54.000 -0.074 0.000 0.852 11 D CB -0.024 40.686 40.800 -0.151 0.000 0.947 11 D HN 0.391 nan 8.370 nan 0.000 0.494 12 F N 0.354 120.322 119.950 0.030 0.000 2.397 12 F HA 0.514 5.041 4.527 -0.000 0.000 0.331 12 F C 0.896 176.714 175.800 0.030 0.000 1.090 12 F CA -1.208 56.787 58.000 -0.009 0.000 1.065 12 F CB 1.019 39.977 39.000 -0.069 0.000 1.184 12 F HN -0.246 nan 8.300 nan 0.000 0.499 13 A N 1.756 124.697 122.820 0.201 0.000 2.327 13 A HA 0.227 4.546 4.320 -0.001 0.000 0.255 13 A C 1.168 178.843 177.584 0.151 0.000 1.099 13 A CA -0.190 51.930 52.037 0.139 0.000 0.801 13 A CB 0.077 19.140 19.000 0.105 0.000 1.062 13 A HN 0.926 nan 8.150 nan 0.000 0.496 14 E N -0.673 119.597 120.200 0.116 0.000 2.427 14 E HA 0.005 4.354 4.350 -0.001 0.000 0.196 14 E C -0.270 176.391 176.600 0.101 0.000 1.028 14 E CA 1.073 57.540 56.400 0.112 0.000 0.864 14 E CB -0.126 29.632 29.700 0.095 0.000 0.813 14 E HN 0.357 nan 8.360 nan 0.000 0.514 15 T N 1.278 115.885 114.554 0.088 0.000 2.809 15 T HA 0.460 4.809 4.350 -0.001 0.000 0.284 15 T C -1.006 173.729 174.700 0.058 0.000 0.992 15 T CA -0.694 61.446 62.100 0.067 0.000 0.957 15 T CB 2.010 70.907 68.868 0.049 0.000 0.942 15 T HN -0.049 nan 8.240 nan 0.000 0.439 16 V N 4.701 124.634 119.914 0.033 0.000 2.531 16 V HA 0.488 4.607 4.120 -0.001 0.000 0.301 16 V C -0.361 175.729 176.094 -0.007 0.000 1.034 16 V CA -0.961 61.352 62.300 0.022 0.000 0.865 16 V CB 1.770 33.580 31.823 -0.021 0.000 0.995 16 V HN 0.750 nan 8.190 nan 0.000 0.424 17 L N 5.508 126.724 121.223 -0.012 0.000 2.289 17 L HA 0.640 4.980 4.340 -0.001 0.000 0.285 17 L C -0.300 176.558 176.870 -0.019 0.000 1.049 17 L CA -0.134 54.684 54.840 -0.037 0.000 0.804 17 L CB 1.313 43.321 42.059 -0.085 0.000 1.195 17 L HN 0.524 nan 8.230 nan 0.000 0.428 18 M N 3.892 123.495 119.600 0.006 0.000 2.395 18 M HA 0.516 4.995 4.480 -0.001 0.000 0.307 18 M C -0.773 175.562 176.300 0.058 0.000 1.091 18 M CA -0.561 54.768 55.300 0.049 0.000 0.919 18 M CB 2.363 35.059 32.600 0.159 0.000 1.662 18 M HN 0.716 nan 8.290 nan 0.000 0.440 19 C N -0.785 118.422 119.300 -0.154 0.000 2.971 19 C HA 0.884 5.343 4.460 -0.001 0.000 0.310 19 C C 1.302 175.810 174.990 -0.802 0.000 1.285 19 C CA -0.412 58.445 59.018 -0.268 0.000 1.593 19 C CB 0.777 28.464 27.740 -0.089 0.000 2.076 19 C HN 1.060 nan 8.230 nan 0.000 0.472 20 G N -0.319 108.075 108.800 -0.677 0.000 2.404 20 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.215 20 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.215 20 G C 0.401 175.124 174.900 -0.294 0.000 1.174 20 G CA 1.093 45.848 45.100 -0.575 0.000 0.780 20 G HN 0.902 nan 8.290 nan 0.000 0.537 21 D N 0.893 121.189 120.400 -0.174 0.000 2.346 21 D HA 0.196 4.836 4.640 -0.001 0.000 0.260 21 D C -1.338 174.902 176.300 -0.100 0.000 1.252 21 D CA -2.064 51.873 54.000 -0.106 0.000 0.895 21 D CB 1.669 42.427 40.800 -0.069 0.000 1.097 21 D HN 0.016 nan 8.370 nan 0.000 0.489 22 P HA -0.072 nan 4.420 nan 0.000 0.218 22 P C 1.607 178.900 177.300 -0.011 0.000 1.149 22 P CA 0.748 63.815 63.100 -0.054 0.000 0.817 22 P CB 0.264 31.938 31.700 -0.044 0.000 0.785 23 L N -1.415 119.796 121.223 -0.020 0.000 2.201 23 L HA -0.073 4.267 4.340 -0.001 0.000 0.212 23 L C 2.627 179.483 176.870 -0.023 0.000 1.105 23 L CA 0.974 55.806 54.840 -0.013 0.000 0.775 23 L CB -0.443 41.601 42.059 -0.025 0.000 0.913 23 L HN -0.102 nan 8.230 nan 0.000 0.440 24 R N 0.825 121.306 120.500 -0.033 0.000 2.093 24 R HA -0.030 4.310 4.340 -0.001 0.000 0.224 24 R C 2.261 178.570 176.300 0.014 0.000 1.101 24 R CA 1.423 57.508 56.100 -0.025 0.000 0.979 24 R CB -0.420 29.869 30.300 -0.020 0.000 0.877 24 R HN 0.236 nan 8.270 nan 0.000 0.441 25 A N 0.755 123.579 122.820 0.006 0.000 1.972 25 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 25 A C 2.071 179.665 177.584 0.017 0.000 1.169 25 A CA 1.619 53.671 52.037 0.025 0.000 0.635 25 A CB -0.506 18.510 19.000 0.026 0.000 0.810 25 A HN 0.391 nan 8.150 nan 0.000 0.446 26 K N -0.709 119.701 120.400 0.016 0.000 2.031 26 K HA -0.099 4.221 4.320 -0.001 0.000 0.205 26 K C 1.925 178.426 176.600 -0.166 0.000 1.049 26 K CA 1.366 57.592 56.287 -0.102 0.000 0.939 26 K CB -0.280 32.240 32.500 0.034 0.000 0.717 26 K HN 0.327 nan 8.250 nan 0.000 0.438 27 L N 1.817 123.003 121.223 -0.061 0.000 2.042 27 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 27 L C 1.977 178.866 176.870 0.032 0.000 1.076 27 L CA 1.570 56.391 54.840 -0.032 0.000 0.749 27 L CB -0.314 41.734 42.059 -0.018 0.000 0.893 27 L HN 0.243 nan 8.230 nan 0.000 0.432 28 I N -0.566 120.056 120.570 0.086 0.000 2.226 28 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 28 I C 2.532 178.729 176.117 0.133 0.000 1.100 28 I CA 1.213 62.635 61.300 0.203 0.000 1.374 28 I CB -0.555 37.498 38.000 0.088 0.000 1.057 28 I HN 0.377 nan 8.210 nan 0.000 0.413 29 A N 0.120 122.900 122.820 -0.067 0.000 1.930 29 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 29 A C 2.189 179.675 177.584 -0.163 0.000 1.175 29 A CA 1.897 53.830 52.037 -0.173 0.000 0.627 29 A CB -0.409 18.266 19.000 -0.541 0.000 0.815 29 A HN 0.397 nan 8.150 nan 0.000 0.443 30 E N -0.641 119.449 120.200 -0.184 0.000 2.230 30 E HA -0.036 4.313 4.350 -0.001 0.000 0.192 30 E C 1.771 178.321 176.600 -0.083 0.000 0.987 30 E CA 1.686 58.003 56.400 -0.138 0.000 0.841 30 E CB -0.228 29.386 29.700 -0.143 0.000 0.783 30 E HN 0.474 nan 8.360 nan 0.000 0.481 31 T N -1.031 113.489 114.554 -0.057 0.000 3.010 31 T HA 0.031 4.380 4.350 -0.001 0.000 0.252 31 T C 0.665 175.204 174.700 -0.269 0.000 1.047 31 T CA 0.854 62.843 62.100 -0.185 0.000 1.140 31 T CB -0.163 68.544 68.868 -0.268 0.000 0.885 31 T HN 0.200 nan 8.240 nan 0.000 0.464 32 Y N 0.338 120.651 120.300 0.022 0.000 2.442 32 Y HA 0.489 5.038 4.550 -0.001 0.000 0.250 32 Y C 0.653 176.634 175.900 0.136 0.000 1.113 32 Y CA -0.514 57.636 58.100 0.083 0.000 1.273 32 Y CB 0.236 38.721 38.460 0.042 0.000 1.138 32 Y HN 0.037 nan 8.280 nan 0.000 0.522 33 L N 0.944 122.287 121.223 0.201 0.000 2.334 33 L HA 0.401 4.740 4.340 -0.001 0.000 0.275 33 L C -0.151 176.767 176.870 0.081 0.000 1.036 33 L CA -0.931 54.002 54.840 0.155 0.000 0.807 33 L CB 1.254 43.372 42.059 0.098 0.000 1.231 33 L HN -0.063 nan 8.230 nan 0.000 0.438 34 E N 1.827 122.070 120.200 0.073 0.000 2.175 34 E HA 0.200 4.550 4.350 -0.001 0.000 0.278 34 E C -0.454 176.163 176.600 0.027 0.000 0.969 34 E CA -0.349 56.070 56.400 0.032 0.000 0.796 34 E CB 1.196 30.905 29.700 0.016 0.000 1.104 34 E HN 0.554 nan 8.360 nan 0.000 0.395 35 N N 1.591 120.300 118.700 0.015 0.000 2.738 35 N HA -0.129 4.610 4.740 -0.001 0.000 0.249 35 N C -2.380 173.149 175.510 0.031 0.000 1.047 35 N CA -0.157 52.903 53.050 0.018 0.000 0.707 35 N CB -0.813 37.683 38.487 0.015 0.000 0.937 35 N HN 0.322 nan 8.380 nan 0.000 0.545 36 P HA 0.050 nan 4.420 nan 0.000 0.271 36 P C -0.632 176.748 177.300 0.134 0.000 1.216 36 P CA 0.606 63.746 63.100 0.068 0.000 0.771 36 P CB 1.099 32.789 31.700 -0.017 0.000 0.864 37 K N 3.172 123.665 120.400 0.155 0.000 2.345 37 K HA 0.336 4.655 4.320 -0.001 0.000 0.255 37 K C -0.774 175.852 176.600 0.043 0.000 0.934 37 K CA -1.108 55.240 56.287 0.102 0.000 0.801 37 K CB 1.147 33.651 32.500 0.007 0.000 1.137 37 K HN 0.254 nan 8.250 nan 0.000 0.424 38 L N 6.524 127.694 121.223 -0.087 0.000 2.456 38 L HA 0.069 4.408 4.340 -0.001 0.000 0.277 38 L C 0.453 177.122 176.870 -0.335 0.000 1.124 38 L CA 0.425 54.965 54.840 -0.500 0.000 0.880 38 L CB 0.952 42.726 42.059 -0.474 0.000 1.192 38 L HN 0.612 nan 8.230 nan 0.000 0.463 39 V N 1.549 121.225 119.914 -0.397 0.000 3.644 39 V HA 0.418 4.538 4.120 -0.001 0.000 0.267 39 V C 0.399 176.320 176.094 -0.288 0.000 1.277 39 V CA 0.440 62.518 62.300 -0.369 0.000 1.096 39 V CB -0.576 30.878 31.823 -0.615 0.000 0.828 39 V HN 0.884 nan 8.190 nan 0.000 0.446 40 N N 0.562 119.108 118.700 -0.256 0.000 2.600 40 N HA 0.261 5.000 4.740 -0.001 0.000 0.272 40 N C -0.970 174.468 175.510 -0.121 0.000 1.095 40 N CA -0.134 52.854 53.050 -0.104 0.000 0.993 40 N CB 1.232 39.753 38.487 0.055 0.000 1.603 40 N HN 0.157 nan 8.380 nan 0.000 0.526 41 N N 2.807 121.457 118.700 -0.085 0.000 2.299 41 N HA 0.140 4.879 4.740 -0.001 0.000 0.246 41 N C -0.874 174.627 175.510 -0.015 0.000 1.254 41 N CA -0.202 52.802 53.050 -0.076 0.000 0.879 41 N CB 0.775 39.202 38.487 -0.100 0.000 1.214 41 N HN 0.192 nan 8.380 nan 0.000 0.510 42 V N 1.991 121.919 119.914 0.022 0.000 2.557 42 V HA -0.014 4.106 4.120 -0.001 0.000 0.301 42 V C 0.973 177.113 176.094 0.077 0.000 1.026 42 V CA 0.630 62.962 62.300 0.053 0.000 1.137 42 V CB 0.311 32.186 31.823 0.086 0.000 0.917 42 V HN 0.533 nan 8.190 nan 0.000 0.484 43 R N 2.973 123.510 120.500 0.061 0.000 3.770 43 R HA -0.192 4.147 4.340 -0.001 0.000 0.305 43 R C 1.206 177.534 176.300 0.047 0.000 1.184 43 R CA 0.589 56.732 56.100 0.072 0.000 0.823 43 R CB -1.947 28.435 30.300 0.136 0.000 1.285 43 R HN 1.520 nan 8.270 nan 0.000 0.499 44 G N 0.389 109.201 108.800 0.021 0.000 2.233 44 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.270 44 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.270 44 G C 0.656 175.549 174.900 -0.011 0.000 1.011 44 G CA 0.385 45.487 45.100 0.002 0.000 0.762 44 G HN 0.410 nan 8.290 nan 0.000 0.511 45 I N -0.069 120.489 120.570 -0.020 0.000 3.083 45 I HA 0.012 4.181 4.170 -0.001 0.000 0.273 45 I C 1.419 177.485 176.117 -0.086 0.000 1.297 45 I CA 1.003 62.255 61.300 -0.081 0.000 1.452 45 I CB -0.236 37.684 38.000 -0.135 0.000 1.078 45 I HN 0.450 nan 8.210 nan 0.000 0.484 46 Q N 0.589 120.350 119.800 -0.064 0.000 2.453 46 Q HA -0.164 4.175 4.340 -0.001 0.000 0.330 46 Q C 0.421 176.378 176.000 -0.072 0.000 1.417 46 Q CA 0.968 56.742 55.803 -0.048 0.000 0.902 46 Q CB -2.466 26.356 28.738 0.139 0.000 1.154 46 Q HN 0.602 nan 8.270 nan 0.000 0.395 47 G N 0.916 109.603 108.800 -0.187 0.000 2.356 47 G HA2 0.407 4.367 3.960 -0.001 0.000 0.300 47 G HA3 0.407 4.367 3.960 -0.001 0.000 0.300 47 G C -0.633 174.085 174.900 -0.303 0.000 1.107 47 G CA -0.225 44.824 45.100 -0.085 0.000 0.960 47 G HN 0.184 nan 8.290 nan 0.000 0.418 48 Y N 0.586 120.850 120.300 -0.060 0.000 2.549 48 Y HA 0.670 5.219 4.550 -0.001 0.000 0.339 48 Y C 0.636 176.461 175.900 -0.124 0.000 1.053 48 Y CA -0.620 57.420 58.100 -0.099 0.000 1.105 48 Y CB 2.911 41.344 38.460 -0.045 0.000 1.258 48 Y HN 0.399 nan 8.280 nan 0.000 0.478 49 T N 1.093 115.675 114.554 0.046 0.000 3.011 49 T HA 0.627 4.976 4.350 -0.001 0.000 0.303 49 T C -0.181 174.540 174.700 0.035 0.000 0.997 49 T CA -0.722 61.372 62.100 -0.011 0.000 1.007 49 T CB 1.300 70.081 68.868 -0.144 0.000 1.017 49 T HN 0.973 nan 8.240 nan 0.000 0.443 50 G N 1.575 110.407 108.800 0.054 0.000 3.107 50 G HA2 0.845 4.804 3.960 -0.001 0.000 0.233 50 G HA3 0.845 4.804 3.960 -0.001 0.000 0.233 50 G C -0.883 174.057 174.900 0.067 0.000 1.168 50 G CA -0.474 44.660 45.100 0.057 0.000 0.801 50 G HN 0.877 nan 8.290 nan 0.000 0.605 51 T N -2.945 111.658 114.554 0.082 0.000 2.909 51 T HA 0.627 4.977 4.350 -0.001 0.000 0.299 51 T C -1.815 172.979 174.700 0.157 0.000 1.073 51 T CA -0.533 61.626 62.100 0.098 0.000 0.999 51 T CB 2.148 71.049 68.868 0.055 0.000 1.098 51 T HN 0.702 nan 8.240 nan 0.000 0.477 52 Y N 1.694 122.010 120.300 0.027 0.000 2.338 52 Y HA 0.453 5.002 4.550 -0.001 0.000 0.333 52 Y C 0.394 176.308 175.900 0.023 0.000 0.968 52 Y CA -0.735 57.384 58.100 0.031 0.000 1.123 52 Y CB 1.202 39.681 38.460 0.032 0.000 1.165 52 Y HN 0.941 nan 8.280 nan 0.000 0.452 53 K N 4.754 124.902 120.400 -0.419 0.000 3.071 53 K HA -0.273 4.047 4.320 -0.001 0.000 0.262 53 K C 0.942 177.482 176.600 -0.100 0.000 0.977 53 K CA 1.010 57.124 56.287 -0.288 0.000 0.721 53 K CB -1.613 30.691 32.500 -0.326 0.000 1.293 53 K HN 1.284 nan 8.250 nan 0.000 0.475 54 G N -0.668 108.098 108.800 -0.057 0.000 2.234 54 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 54 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 54 G C 0.056 174.967 174.900 0.018 0.000 0.987 54 G CA 0.711 45.802 45.100 -0.014 0.000 0.625 54 G HN 0.204 nan 8.290 nan 0.000 0.532 55 K N 1.297 121.723 120.400 0.042 0.000 2.143 55 K HA 0.491 4.810 4.320 -0.001 0.000 0.272 55 K C -2.525 174.124 176.600 0.083 0.000 1.001 55 K CA -2.092 54.233 56.287 0.064 0.000 0.915 55 K CB 1.415 33.962 32.500 0.078 0.000 1.047 55 K HN 0.056 nan 8.250 nan 0.000 0.458 56 P HA 0.228 nan 4.420 nan 0.000 0.268 56 P C -0.508 176.840 177.300 0.080 0.000 1.205 56 P CA 0.015 63.156 63.100 0.068 0.000 0.771 56 P CB 0.554 32.289 31.700 0.058 0.000 0.858 57 I N 0.826 121.443 120.570 0.080 0.000 2.785 57 I HA 0.311 4.480 4.170 -0.001 0.000 0.293 57 I C -1.333 174.829 176.117 0.076 0.000 1.446 57 I CA -0.324 61.022 61.300 0.077 0.000 1.028 57 I CB 1.798 39.841 38.000 0.072 0.000 1.349 57 I HN 0.177 nan 8.210 nan 0.000 0.438 58 S N 4.943 120.699 115.700 0.093 0.000 2.566 58 S HA 0.741 5.210 4.470 -0.001 0.000 0.298 58 S C -1.260 173.406 174.600 0.110 0.000 1.083 58 S CA -0.581 57.694 58.200 0.124 0.000 0.978 58 S CB 2.319 65.672 63.200 0.254 0.000 1.073 58 S HN 0.483 nan 8.310 nan 0.000 0.491 59 V N 4.035 124.024 119.914 0.126 0.000 2.709 59 V HA 0.844 4.963 4.120 -0.001 0.000 0.308 59 V C -1.135 175.034 176.094 0.125 0.000 1.062 59 V CA -0.558 61.795 62.300 0.089 0.000 0.901 59 V CB 1.669 33.526 31.823 0.057 0.000 1.003 59 V HN 0.979 nan 8.190 nan 0.000 0.425 60 M N 4.932 124.559 119.600 0.046 0.000 2.471 60 M HA 0.698 5.177 4.480 -0.001 0.000 0.284 60 M C -0.135 176.089 176.300 -0.126 0.000 1.203 60 M CA -0.187 55.106 55.300 -0.011 0.000 0.915 60 M CB 2.098 34.690 32.600 -0.015 0.000 1.734 60 M HN 0.862 nan 8.290 nan 0.000 0.485 61 G N 0.548 109.236 108.800 -0.188 0.000 2.572 61 G HA2 0.391 4.350 3.960 -0.001 0.000 0.261 61 G HA3 0.391 4.350 3.960 -0.001 0.000 0.261 61 G C -0.404 174.253 174.900 -0.405 0.000 1.197 61 G CA -0.001 44.926 45.100 -0.288 0.000 0.870 61 G HN 1.020 nan 8.290 nan 0.000 0.548 62 H N -1.689 117.231 119.070 -0.249 0.000 3.182 62 H HA 0.455 5.010 4.556 -0.001 0.000 0.254 62 H C 0.955 176.291 175.328 0.013 0.000 1.197 62 H CA -0.249 55.661 56.048 -0.229 0.000 1.061 62 H CB -0.403 29.301 29.762 -0.096 0.000 1.722 62 H HN 1.295 nan 8.280 nan 0.000 0.662 63 G N 1.005 109.841 108.800 0.060 0.000 2.806 63 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.236 63 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.236 63 G C -0.340 174.687 174.900 0.211 0.000 1.387 63 G CA -0.064 45.116 45.100 0.134 0.000 0.884 63 G HN 0.436 nan 8.290 nan 0.000 0.560 64 M N 0.940 120.614 119.600 0.125 0.000 2.336 64 M HA 0.598 5.077 4.480 -0.001 0.000 0.342 64 M C 0.614 176.961 176.300 0.078 0.000 1.128 64 M CA 0.570 55.936 55.300 0.111 0.000 1.016 64 M CB 1.553 34.183 32.600 0.050 0.000 1.665 64 M HN 2.474 nan 8.290 nan 0.000 0.445 65 G N 1.290 110.122 108.800 0.054 0.000 2.697 65 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.686 65 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.686 65 G C -0.330 174.545 174.900 -0.041 0.000 1.179 65 G CA -1.084 44.018 45.100 0.003 0.000 0.765 65 G HN 0.642 nan 8.290 nan 0.000 0.649 66 L N 1.794 122.972 121.223 -0.076 0.000 2.012 66 L HA 0.032 4.371 4.340 -0.001 0.000 0.210 66 L C 0.501 177.317 176.870 -0.091 0.000 1.073 66 L CA 3.058 57.834 54.840 -0.107 0.000 0.748 66 L CB -1.033 40.955 42.059 -0.119 0.000 0.891 66 L HN 0.548 nan 8.230 nan 0.000 0.431 67 P HA -0.170 nan 4.420 nan 0.000 0.215 67 P C 2.005 179.244 177.300 -0.101 0.000 1.153 67 P CA 1.632 64.685 63.100 -0.077 0.000 0.853 67 P CB 0.044 31.711 31.700 -0.055 0.000 0.788 68 S N -0.951 114.711 115.700 -0.063 0.000 2.338 68 S HA -0.126 4.344 4.470 -0.001 0.000 0.218 68 S C 1.865 176.452 174.600 -0.021 0.000 1.032 68 S CA 0.871 59.046 58.200 -0.042 0.000 0.999 68 S CB -1.063 62.190 63.200 0.088 0.000 0.905 68 S HN -0.005 nan 8.310 nan 0.000 0.439 69 I N 0.838 121.411 120.570 0.006 0.000 2.567 69 I HA -0.173 3.997 4.170 -0.001 0.000 0.257 69 I C 1.967 178.037 176.117 -0.078 0.000 1.184 69 I CA 0.906 62.188 61.300 -0.031 0.000 1.451 69 I CB -0.234 37.592 38.000 -0.291 0.000 1.089 69 I HN 0.438 nan 8.210 nan 0.000 0.441 70 C N 0.511 119.744 119.300 -0.112 0.000 2.457 70 C HA -0.091 4.368 4.460 -0.001 0.000 0.278 70 C C 2.529 177.429 174.990 -0.149 0.000 1.309 70 C CA 0.578 59.531 59.018 -0.108 0.000 1.735 70 C CB -0.738 26.942 27.740 -0.098 0.000 1.992 70 C HN 0.500 nan 8.230 nan 0.000 0.493 71 I N -0.429 119.978 120.570 -0.270 0.000 2.142 71 I HA -0.218 3.952 4.170 -0.001 0.000 0.240 71 I C 2.311 178.187 176.117 -0.402 0.000 1.078 71 I CA 1.842 62.882 61.300 -0.434 0.000 1.343 71 I CB -0.516 36.996 38.000 -0.813 0.000 1.046 71 I HN 0.288 nan 8.210 nan 0.000 0.405 72 Y N 0.776 120.950 120.300 -0.210 0.000 2.145 72 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 72 Y C 2.653 178.399 175.900 -0.256 0.000 1.145 72 Y CA 1.199 59.176 58.100 -0.206 0.000 1.148 72 Y CB -1.151 37.211 38.460 -0.163 0.000 0.981 72 Y HN 0.114 nan 8.280 nan 0.000 0.507 73 A N 0.069 122.828 122.820 -0.101 0.000 1.877 73 A HA -0.280 4.039 4.320 -0.001 0.000 0.216 73 A C 2.187 179.592 177.584 -0.299 0.000 1.186 73 A CA 2.005 53.879 52.037 -0.273 0.000 0.620 73 A CB -0.865 18.050 19.000 -0.142 0.000 0.822 73 A HN 0.526 nan 8.150 nan 0.000 0.443 74 E N -0.139 119.984 120.200 -0.129 0.000 2.110 74 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 74 E C 1.861 178.339 176.600 -0.203 0.000 0.988 74 E CA 1.442 57.771 56.400 -0.119 0.000 0.804 74 E CB -0.154 29.555 29.700 0.014 0.000 0.745 74 E HN 0.739 nan 8.360 nan 0.000 0.458 75 E N 0.180 120.303 120.200 -0.128 0.000 2.106 75 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 75 E C 2.209 178.806 176.600 -0.004 0.000 0.984 75 E CA 0.913 57.292 56.400 -0.035 0.000 0.806 75 E CB -0.007 29.729 29.700 0.060 0.000 0.750 75 E HN 0.339 nan 8.360 nan 0.000 0.458 76 L N -0.005 121.127 121.223 -0.152 0.000 1.994 76 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 76 L C 2.397 179.164 176.870 -0.171 0.000 1.071 76 L CA 1.227 55.933 54.840 -0.222 0.000 0.745 76 L CB -0.517 41.241 42.059 -0.502 0.000 0.892 76 L HN 0.174 nan 8.230 nan 0.000 0.431 77 Y N -0.677 119.483 120.300 -0.233 0.000 2.133 77 Y HA -0.225 4.324 4.550 -0.001 0.000 0.287 77 Y C 3.090 178.778 175.900 -0.352 0.000 1.134 77 Y CA 1.368 59.283 58.100 -0.309 0.000 1.133 77 Y CB -1.048 37.109 38.460 -0.504 0.000 0.987 77 Y HN 0.107 nan 8.280 nan 0.000 0.502 78 S N -0.988 114.471 115.700 -0.401 0.000 2.343 78 S HA -0.168 4.301 4.470 -0.001 0.000 0.219 78 S C 2.074 176.630 174.600 -0.073 0.000 1.033 78 S CA 2.180 60.253 58.200 -0.212 0.000 1.014 78 S CB -0.545 62.550 63.200 -0.175 0.000 0.915 78 S HN 0.511 nan 8.310 nan 0.000 0.435 79 T N -0.157 114.321 114.554 -0.126 0.000 2.953 79 T HA 0.144 4.494 4.350 -0.001 0.000 0.247 79 T C 0.970 175.465 174.700 -0.342 0.000 1.029 79 T CA 0.796 62.738 62.100 -0.264 0.000 1.144 79 T CB -0.321 68.278 68.868 -0.448 0.000 0.870 79 T HN 0.501 nan 8.240 nan 0.000 0.446 80 Y N 1.577 121.861 120.300 -0.026 0.000 2.462 80 Y HA 0.251 4.800 4.550 -0.001 0.000 0.293 80 Y C 0.629 176.552 175.900 0.037 0.000 1.195 80 Y CA -0.438 57.675 58.100 0.022 0.000 1.276 80 Y CB -0.113 38.343 38.460 -0.006 0.000 1.082 80 Y HN -0.087 nan 8.280 nan 0.000 0.514 81 K N -0.809 119.655 120.400 0.106 0.000 3.012 81 K HA -0.181 4.138 4.320 -0.001 0.000 0.259 81 K C -0.265 176.423 176.600 0.146 0.000 0.989 81 K CA 0.336 56.691 56.287 0.113 0.000 0.728 81 K CB -2.421 30.137 32.500 0.095 0.000 1.260 81 K HN 0.174 nan 8.250 nan 0.000 0.480 82 V N 1.165 121.169 119.914 0.149 0.000 2.843 82 V HA 0.001 4.120 4.120 -0.001 0.000 0.305 82 V C 1.747 178.002 176.094 0.268 0.000 1.065 82 V CA 0.243 62.632 62.300 0.148 0.000 1.116 82 V CB 1.164 32.985 31.823 -0.003 0.000 0.968 82 V HN 0.203 nan 8.190 nan 0.000 0.487 83 K N 1.247 121.777 120.400 0.216 0.000 2.329 83 K HA 0.216 4.535 4.320 -0.001 0.000 0.198 83 K C 0.386 177.125 176.600 0.233 0.000 1.085 83 K CA 0.572 56.978 56.287 0.197 0.000 0.961 83 K CB 0.617 33.186 32.500 0.115 0.000 0.971 83 K HN 0.685 nan 8.250 nan 0.000 0.502 84 T N 1.677 116.358 114.554 0.212 0.000 2.881 84 T HA 0.564 4.914 4.350 -0.001 0.000 0.290 84 T C -0.460 174.331 174.700 0.152 0.000 1.000 84 T CA -0.471 61.739 62.100 0.183 0.000 0.978 84 T CB 1.840 70.764 68.868 0.092 0.000 0.997 84 T HN -0.085 nan 8.240 nan 0.000 0.443 85 I N 3.682 124.358 120.570 0.177 0.000 2.418 85 I HA 0.478 4.647 4.170 -0.001 0.000 0.287 85 I C -0.763 175.406 176.117 0.087 0.000 1.008 85 I CA -0.781 60.564 61.300 0.076 0.000 1.104 85 I CB 1.653 39.657 38.000 0.007 0.000 1.264 85 I HN 0.487 nan 8.210 nan 0.000 0.438 86 I N 6.381 126.972 120.570 0.035 0.000 2.354 86 I HA 0.361 4.531 4.170 -0.001 0.000 0.286 86 I C 0.242 176.363 176.117 0.008 0.000 1.007 86 I CA -0.584 60.729 61.300 0.022 0.000 1.167 86 I CB 1.362 39.346 38.000 -0.027 0.000 1.320 86 I HN 0.518 nan 8.210 nan 0.000 0.458 87 R N 6.199 126.718 120.500 0.032 0.000 2.347 87 R HA 0.501 4.840 4.340 -0.001 0.000 0.304 87 R C -1.372 174.906 176.300 -0.037 0.000 1.072 87 R CA -0.189 55.926 56.100 0.025 0.000 0.980 87 R CB 0.855 31.161 30.300 0.009 0.000 0.986 87 R HN 0.435 nan 8.270 nan 0.000 0.448 88 V N 4.374 124.264 119.914 -0.041 0.000 2.555 88 V HA 0.794 4.913 4.120 -0.001 0.000 0.302 88 V C 0.587 176.640 176.094 -0.069 0.000 1.038 88 V CA 0.056 62.283 62.300 -0.122 0.000 0.887 88 V CB 1.587 33.299 31.823 -0.185 0.000 0.991 88 V HN 1.098 nan 8.190 nan 0.000 0.434 89 G N 3.030 111.776 108.800 -0.089 0.000 2.392 89 G HA2 0.521 4.481 3.960 -0.001 0.000 0.260 89 G HA3 0.521 4.481 3.960 -0.001 0.000 0.260 89 G C -0.521 174.405 174.900 0.043 0.000 1.226 89 G CA 0.233 45.348 45.100 0.025 0.000 0.913 89 G HN 0.888 nan 8.290 nan 0.000 0.483 90 T N -2.501 112.107 114.554 0.089 0.000 2.949 90 T HA 0.779 5.128 4.350 -0.001 0.000 0.287 90 T C 0.194 174.946 174.700 0.088 0.000 1.034 90 T CA 0.075 62.233 62.100 0.097 0.000 1.018 90 T CB 1.217 70.159 68.868 0.124 0.000 1.135 90 T HN 2.247 nan 8.240 nan 0.000 0.532 91 C N -1.180 118.176 119.300 0.094 0.000 3.320 91 C HA 0.957 5.416 4.460 -0.001 0.000 0.335 91 C C 0.184 175.222 174.990 0.080 0.000 1.430 91 C CA -0.689 58.399 59.018 0.116 0.000 1.271 91 C CB 0.906 28.747 27.740 0.169 0.000 1.609 91 C HN 1.359 nan 8.230 nan 0.000 0.457 92 G N 0.679 109.509 108.800 0.050 0.000 2.422 92 G HA2 0.750 4.709 3.960 -0.001 0.000 0.317 92 G HA3 0.750 4.709 3.960 -0.001 0.000 0.317 92 G C 0.067 174.901 174.900 -0.110 0.000 1.210 92 G CA 0.246 45.325 45.100 -0.034 0.000 0.930 92 G HN 1.667 nan 8.290 nan 0.000 0.468 93 A N 2.187 124.865 122.820 -0.236 0.000 2.483 93 A HA 0.540 4.859 4.320 -0.001 0.000 0.238 93 A C 0.812 178.005 177.584 -0.652 0.000 1.070 93 A CA -0.006 51.763 52.037 -0.447 0.000 0.770 93 A CB 0.325 18.944 19.000 -0.634 0.000 1.008 93 A HN 0.681 nan 8.150 nan 0.000 0.497 94 I N -0.026 120.320 120.570 -0.372 0.000 3.518 94 I HA 0.078 4.248 4.170 -0.001 0.000 0.260 94 I C 0.433 176.550 176.117 0.001 0.000 1.148 94 I CA -0.069 61.125 61.300 -0.176 0.000 1.440 94 I CB -0.336 37.633 38.000 -0.050 0.000 1.485 94 I HN 0.703 nan 8.210 nan 0.000 0.456 95 D N 1.673 122.103 120.400 0.049 0.000 2.493 95 D HA -0.037 4.603 4.640 -0.001 0.000 0.240 95 D C 1.309 177.751 176.300 0.237 0.000 1.142 95 D CA 0.248 54.334 54.000 0.142 0.000 0.872 95 D CB 0.767 41.650 40.800 0.138 0.000 1.173 95 D HN 0.052 nan 8.370 nan 0.000 0.467 96 M N 2.103 121.829 119.600 0.211 0.000 2.267 96 M HA -0.128 4.352 4.480 -0.001 0.000 0.263 96 M C 0.732 177.103 176.300 0.119 0.000 1.063 96 M CA 1.255 56.675 55.300 0.201 0.000 1.090 96 M CB -0.356 32.336 32.600 0.153 0.000 1.392 96 M HN 0.505 nan 8.290 nan 0.000 0.422 97 D N -0.118 120.310 120.400 0.045 0.000 2.340 97 D HA 0.119 4.759 4.640 -0.001 0.000 0.220 97 D C 0.441 176.542 176.300 -0.332 0.000 1.039 97 D CA 0.303 54.256 54.000 -0.078 0.000 0.866 97 D CB 0.859 41.666 40.800 0.011 0.000 0.913 97 D HN 0.204 nan 8.370 nan 0.000 0.523 98 I N 1.649 122.063 120.570 -0.260 0.000 2.392 98 I HA 0.171 4.340 4.170 -0.001 0.000 0.295 98 I C 0.430 176.368 176.117 -0.297 0.000 0.985 98 I CA -0.373 60.787 61.300 -0.234 0.000 1.221 98 I CB 1.197 39.166 38.000 -0.053 0.000 1.366 98 I HN -0.095 nan 8.210 nan 0.000 0.467 99 H N 3.131 122.315 119.070 0.190 0.000 2.731 99 H HA 0.353 4.908 4.556 -0.001 0.000 0.368 99 H C -0.187 175.232 175.328 0.152 0.000 1.168 99 H CA -0.657 55.520 56.048 0.215 0.000 1.181 99 H CB 1.469 31.322 29.762 0.151 0.000 1.743 99 H HN 0.395 nan 8.280 nan 0.000 0.547 100 T N 1.817 116.542 114.554 0.286 0.000 2.934 100 T HA 0.027 4.376 4.350 -0.001 0.000 0.306 100 T C 0.876 175.662 174.700 0.144 0.000 1.042 100 T CA 0.406 62.610 62.100 0.173 0.000 1.145 100 T CB 0.230 69.184 68.868 0.143 0.000 0.982 100 T HN 0.622 nan 8.240 nan 0.000 0.544 101 R N -0.510 120.058 120.500 0.113 0.000 3.489 101 R HA -0.120 4.219 4.340 -0.001 0.000 0.489 101 R C -0.584 175.769 176.300 0.089 0.000 0.770 101 R CA 0.743 56.902 56.100 0.098 0.000 1.404 101 R CB -1.323 29.031 30.300 0.090 0.000 2.091 101 R HN 0.566 nan 8.270 nan 0.000 0.456 102 D N 0.745 121.203 120.400 0.098 0.000 2.357 102 D HA 0.324 4.963 4.640 -0.001 0.000 0.242 102 D C 0.353 176.683 176.300 0.049 0.000 1.153 102 D CA 0.215 54.262 54.000 0.079 0.000 0.918 102 D CB 0.582 41.433 40.800 0.085 0.000 1.181 102 D HN 0.106 nan 8.370 nan 0.000 0.435 103 I N 1.138 121.726 120.570 0.029 0.000 2.377 103 I HA 0.273 4.443 4.170 -0.001 0.000 0.293 103 I C -0.494 175.626 176.117 0.005 0.000 0.987 103 I CA -0.795 60.502 61.300 -0.004 0.000 1.185 103 I CB 1.625 39.608 38.000 -0.029 0.000 1.341 103 I HN -0.107 nan 8.210 nan 0.000 0.455 104 V N 7.286 127.193 119.914 -0.011 0.000 2.604 104 V HA 0.479 4.598 4.120 -0.001 0.000 0.305 104 V C -0.166 175.903 176.094 -0.041 0.000 1.043 104 V CA -0.546 61.776 62.300 0.038 0.000 0.888 104 V CB 2.263 34.184 31.823 0.164 0.000 0.995 104 V HN 0.468 nan 8.190 nan 0.000 0.429 105 I N 4.733 125.332 120.570 0.048 0.000 2.355 105 I HA 0.407 4.577 4.170 -0.001 0.000 0.288 105 I C -0.807 175.458 176.117 0.248 0.000 0.999 105 I CA -0.382 60.935 61.300 0.030 0.000 1.163 105 I CB 1.239 39.244 38.000 0.009 0.000 1.316 105 I HN 0.378 nan 8.210 nan 0.000 0.454 106 F N 4.208 124.209 119.950 0.085 0.000 2.467 106 F HA 0.119 4.645 4.527 -0.001 0.000 0.362 106 F C 1.827 177.681 175.800 0.090 0.000 1.090 106 F CA -0.893 57.186 58.000 0.131 0.000 1.202 106 F CB 0.664 39.814 39.000 0.250 0.000 1.113 106 F HN 0.522 nan 8.300 nan 0.000 0.541 107 T N -1.669 113.030 114.554 0.242 0.000 3.009 107 T HA 0.181 4.530 4.350 -0.001 0.000 0.258 107 T C 0.537 175.299 174.700 0.103 0.000 1.063 107 T CA 0.775 62.943 62.100 0.113 0.000 1.139 107 T CB -0.074 68.837 68.868 0.072 0.000 0.890 107 T HN 0.540 nan 8.240 nan 0.000 0.471 108 S N -0.410 115.410 115.700 0.199 0.000 2.655 108 S HA 0.730 5.199 4.470 -0.001 0.000 0.266 108 S C -1.776 172.971 174.600 0.244 0.000 1.149 108 S CA -0.796 57.572 58.200 0.280 0.000 0.818 108 S CB 1.260 64.543 63.200 0.139 0.000 1.130 108 S HN 1.006 nan 8.310 nan 0.000 0.476 109 A N 0.011 122.979 122.820 0.247 0.000 2.427 109 A HA 0.904 5.223 4.320 -0.001 0.000 0.298 109 A C 0.144 177.782 177.584 0.091 0.000 1.036 109 A CA -0.285 51.787 52.037 0.058 0.000 0.701 109 A CB 1.128 20.087 19.000 -0.067 0.000 1.250 109 A HN 1.676 nan 8.150 nan 0.000 0.412 110 G N -0.246 108.666 108.800 0.187 0.000 2.522 110 G HA2 0.656 4.615 3.960 -0.001 0.000 0.304 110 G HA3 0.656 4.615 3.960 -0.001 0.000 0.304 110 G C -0.233 174.528 174.900 -0.230 0.000 1.210 110 G CA 0.127 45.356 45.100 0.215 0.000 0.960 110 G HN 1.213 nan 8.290 nan 0.000 0.497 111 T N -2.202 112.205 114.554 -0.245 0.000 2.830 111 T HA 0.282 4.632 4.350 -0.001 0.000 0.322 111 T C 0.133 174.710 174.700 -0.205 0.000 1.501 111 T CA -0.320 61.423 62.100 -0.595 0.000 1.036 111 T CB 0.939 69.591 68.868 -0.361 0.000 1.379 111 T HN 0.710 nan 8.240 nan 0.000 0.493 112 N N 1.071 119.652 118.700 -0.198 0.000 2.203 112 N HA 0.199 4.938 4.740 -0.001 0.000 0.207 112 N C 0.538 176.030 175.510 -0.030 0.000 1.130 112 N CA -0.637 52.427 53.050 0.023 0.000 0.861 112 N CB 0.669 39.243 38.487 0.146 0.000 1.005 112 N HN 0.329 nan 8.380 nan 0.000 0.507 113 S N 0.801 116.447 115.700 -0.090 0.000 2.614 113 S HA 0.129 4.598 4.470 -0.001 0.000 0.265 113 S C 0.857 175.435 174.600 -0.038 0.000 1.303 113 S CA -0.381 57.778 58.200 -0.068 0.000 1.000 113 S CB 1.686 64.824 63.200 -0.103 0.000 0.935 113 S HN 0.260 nan 8.310 nan 0.000 0.551 114 K N 1.891 122.274 120.400 -0.028 0.000 2.353 114 K HA 0.311 4.630 4.320 -0.001 0.000 0.195 114 K C 1.664 178.254 176.600 -0.017 0.000 1.031 114 K CA 0.018 56.297 56.287 -0.013 0.000 1.079 114 K CB -0.087 32.407 32.500 -0.009 0.000 0.857 114 K HN 0.685 nan 8.250 nan 0.000 0.535 115 I N 1.603 122.151 120.570 -0.037 0.000 2.113 115 I HA -0.425 3.744 4.170 -0.001 0.000 0.242 115 I C 1.474 177.565 176.117 -0.043 0.000 1.064 115 I CA 1.821 63.093 61.300 -0.046 0.000 1.320 115 I CB -0.379 37.579 38.000 -0.071 0.000 1.028 115 I HN 0.323 nan 8.210 nan 0.000 0.406 116 N N 0.055 118.725 118.700 -0.050 0.000 2.244 116 N HA -0.145 4.595 4.740 -0.001 0.000 0.183 116 N C 1.887 177.445 175.510 0.081 0.000 1.016 116 N CA 0.672 53.694 53.050 -0.046 0.000 0.866 116 N CB -0.056 38.397 38.487 -0.056 0.000 0.980 116 N HN 0.301 nan 8.380 nan 0.000 0.430 117 R N 0.608 121.156 120.500 0.079 0.000 2.115 117 R HA 0.012 4.351 4.340 -0.001 0.000 0.230 117 R C 1.968 178.298 176.300 0.050 0.000 1.111 117 R CA 0.773 56.929 56.100 0.093 0.000 0.976 117 R CB -0.172 30.157 30.300 0.048 0.000 0.870 117 R HN 0.304 nan 8.270 nan 0.000 0.445 118 I N 0.798 121.382 120.570 0.025 0.000 2.252 118 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 118 I C 2.083 178.216 176.117 0.027 0.000 1.102 118 I CA 1.322 62.627 61.300 0.008 0.000 1.385 118 I CB -0.155 37.841 38.000 -0.007 0.000 1.064 118 I HN 0.156 nan 8.210 nan 0.000 0.414 119 R N 0.032 120.557 120.500 0.041 0.000 2.193 119 R HA -0.026 4.313 4.340 -0.001 0.000 0.213 119 R C 1.183 177.606 176.300 0.205 0.000 1.055 119 R CA 0.815 56.952 56.100 0.061 0.000 0.995 119 R CB -0.215 30.070 30.300 -0.025 0.000 0.893 119 R HN 0.266 nan 8.270 nan 0.000 0.459 120 F N 1.774 121.739 119.950 0.024 0.000 2.893 120 F HA 0.331 4.857 4.527 -0.001 0.000 0.340 120 F C -0.125 175.684 175.800 0.014 0.000 1.300 120 F CA -0.757 57.303 58.000 0.099 0.000 1.227 120 F CB 0.262 39.416 39.000 0.256 0.000 1.044 120 F HN -0.122 nan 8.300 nan 0.000 0.512 121 M N 1.525 121.065 119.600 -0.101 0.000 2.169 121 M HA -0.332 4.147 4.480 -0.001 0.000 0.196 121 M C 0.377 176.349 176.300 -0.546 0.000 0.355 121 M CA 1.255 56.374 55.300 -0.302 0.000 0.396 121 M CB -1.437 30.959 32.600 -0.341 0.000 1.125 121 M HN 0.487 nan 8.290 nan 0.000 0.939 122 D N -1.056 119.172 120.400 -0.286 0.000 3.039 122 D HA -0.186 4.453 4.640 -0.001 0.000 0.222 122 D C -0.141 176.012 176.300 -0.245 0.000 1.179 122 D CA 1.598 55.457 54.000 -0.235 0.000 0.880 122 D CB -0.171 40.493 40.800 -0.225 0.000 1.115 122 D HN 0.741 nan 8.370 nan 0.000 0.416 123 H N -0.309 118.738 119.070 -0.038 0.000 2.760 123 H HA 0.472 5.027 4.556 -0.002 0.000 0.301 123 H C -0.075 175.390 175.328 0.229 0.000 1.498 123 H CA -0.431 55.611 56.048 -0.010 0.000 1.525 123 H CB 0.209 29.814 29.762 -0.262 0.000 1.771 123 H HN -0.072 nan 8.280 nan 0.000 0.827 124 D N 0.719 121.362 120.400 0.405 0.000 2.393 124 D HA 0.079 4.718 4.640 -0.001 0.000 0.232 124 D C -0.596 175.962 176.300 0.430 0.000 1.192 124 D CA 0.074 54.279 54.000 0.342 0.000 0.882 124 D CB -0.402 40.514 40.800 0.193 0.000 1.038 124 D HN 0.262 nan 8.370 nan 0.000 0.499 125 Y N 4.321 124.775 120.300 0.257 0.000 2.327 125 Y HA 0.331 4.879 4.550 -0.003 0.000 0.336 125 Y C -1.886 173.998 175.900 -0.027 0.000 1.035 125 Y CA -2.108 55.954 58.100 -0.063 0.000 1.165 125 Y CB 1.173 39.511 38.460 -0.205 0.000 1.181 125 Y HN 0.266 nan 8.280 nan 0.000 0.494 126 P HA 0.223 nan 4.420 nan 0.000 0.274 126 P C -1.136 176.282 177.300 0.198 0.000 1.504 126 P CA -0.242 62.873 63.100 0.025 0.000 1.011 126 P CB 0.647 32.294 31.700 -0.089 0.000 1.366 127 A N 3.861 126.888 122.820 0.345 0.000 2.535 127 A HA 0.292 4.611 4.320 -0.001 0.000 0.290 127 A C 0.469 178.320 177.584 0.446 0.000 1.270 127 A CA 0.397 52.683 52.037 0.415 0.000 0.937 127 A CB -0.798 18.355 19.000 0.255 0.000 1.096 127 A HN 0.466 nan 8.150 nan 0.000 0.534 128 T N 2.194 116.931 114.554 0.306 0.000 2.824 128 T HA 0.595 4.945 4.350 -0.001 0.000 0.280 128 T C 0.507 174.992 174.700 -0.358 0.000 0.995 128 T CA 0.157 62.292 62.100 0.059 0.000 1.009 128 T CB 1.623 70.490 68.868 -0.003 0.000 0.955 128 T HN 0.921 nan 8.240 nan 0.000 0.452 129 A N 2.570 124.928 122.820 -0.769 0.000 2.407 129 A HA 0.533 4.852 4.320 -0.001 0.000 0.248 129 A C 0.626 177.945 177.584 -0.442 0.000 1.082 129 A CA -0.592 50.719 52.037 -1.210 0.000 0.785 129 A CB 0.024 18.501 19.000 -0.872 0.000 1.020 129 A HN 0.777 nan 8.150 nan 0.000 0.489 130 S N 1.215 116.721 115.700 -0.323 0.000 2.525 130 S HA 0.063 4.532 4.470 -0.001 0.000 0.285 130 S C 0.714 175.288 174.600 -0.044 0.000 1.283 130 S CA -0.174 57.959 58.200 -0.111 0.000 1.072 130 S CB -0.075 63.081 63.200 -0.073 0.000 0.867 130 S HN 0.643 nan 8.310 nan 0.000 0.492 131 F N 3.048 122.935 119.950 -0.106 0.000 2.154 131 F HA -0.199 4.327 4.527 -0.001 0.000 0.301 131 F C 1.622 177.387 175.800 -0.058 0.000 1.087 131 F CA 1.715 59.669 58.000 -0.077 0.000 1.274 131 F CB -0.223 38.741 39.000 -0.060 0.000 1.009 131 F HN 0.538 nan 8.300 nan 0.000 0.485 132 D N -0.202 120.150 120.400 -0.081 0.000 2.097 132 D HA -0.154 4.486 4.640 -0.001 0.000 0.195 132 D C 2.515 178.706 176.300 -0.181 0.000 0.989 132 D CA 1.732 55.647 54.000 -0.141 0.000 0.827 132 D CB -0.559 40.219 40.800 -0.036 0.000 0.966 132 D HN 0.239 nan 8.370 nan 0.000 0.456 133 V N 0.579 120.412 119.914 -0.135 0.000 2.453 133 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 133 V C 2.629 178.629 176.094 -0.156 0.000 1.048 133 V CA 0.820 63.050 62.300 -0.118 0.000 1.049 133 V CB -0.373 31.403 31.823 -0.078 0.000 0.672 133 V HN 0.044 nan 8.190 nan 0.000 0.457 134 V N -0.989 118.803 119.914 -0.204 0.000 2.295 134 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 134 V C 2.551 178.490 176.094 -0.257 0.000 1.049 134 V CA 2.245 64.427 62.300 -0.196 0.000 1.024 134 V CB -0.780 30.940 31.823 -0.171 0.000 0.648 134 V HN 0.622 nan 8.190 nan 0.000 0.447 135 C N 0.210 119.251 119.300 -0.432 0.000 2.429 135 C HA -0.078 4.382 4.460 -0.001 0.000 0.277 135 C C 3.122 177.983 174.990 -0.216 0.000 1.262 135 C CA 0.814 59.597 59.018 -0.392 0.000 1.733 135 C CB -1.300 26.102 27.740 -0.563 0.000 2.010 135 C HN 0.637 nan 8.230 nan 0.000 0.483 136 A N 0.169 122.880 122.820 -0.182 0.000 1.902 136 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 136 A C 2.102 179.628 177.584 -0.097 0.000 1.181 136 A CA 1.497 53.466 52.037 -0.113 0.000 0.623 136 A CB -0.603 18.343 19.000 -0.090 0.000 0.818 136 A HN 0.618 nan 8.150 nan 0.000 0.443 137 L N -0.659 120.501 121.223 -0.106 0.000 2.056 137 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 137 L C 2.488 179.310 176.870 -0.080 0.000 1.078 137 L CA 0.981 55.767 54.840 -0.091 0.000 0.749 137 L CB -0.418 41.587 42.059 -0.090 0.000 0.901 137 L HN 0.255 nan 8.230 nan 0.000 0.433 138 V N -0.593 119.268 119.914 -0.087 0.000 2.453 138 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 138 V C 2.043 178.103 176.094 -0.057 0.000 1.048 138 V CA 1.592 63.852 62.300 -0.067 0.000 1.049 138 V CB -0.467 31.313 31.823 -0.072 0.000 0.672 138 V HN 0.412 nan 8.190 nan 0.000 0.457 139 D N 0.741 121.101 120.400 -0.067 0.000 2.117 139 D HA -0.120 4.520 4.640 -0.001 0.000 0.197 139 D C 2.264 178.543 176.300 -0.036 0.000 0.987 139 D CA 1.641 55.612 54.000 -0.048 0.000 0.829 139 D CB -0.268 40.502 40.800 -0.051 0.000 0.961 139 D HN 0.428 nan 8.370 nan 0.000 0.460 140 A N 1.297 124.092 122.820 -0.042 0.000 1.908 140 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 140 A C 2.351 179.918 177.584 -0.029 0.000 1.181 140 A CA 2.361 54.378 52.037 -0.032 0.000 0.627 140 A CB -0.725 18.248 19.000 -0.044 0.000 0.818 140 A HN 0.245 nan 8.150 nan 0.000 0.445 141 A N -0.405 122.393 122.820 -0.036 0.000 1.933 141 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 141 A C 2.127 179.701 177.584 -0.017 0.000 1.175 141 A CA 1.854 53.873 52.037 -0.029 0.000 0.628 141 A CB -0.381 18.601 19.000 -0.032 0.000 0.814 141 A HN 0.565 nan 8.150 nan 0.000 0.444 142 K N -0.620 119.770 120.400 -0.017 0.000 2.031 142 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 142 K C 1.967 178.564 176.600 -0.006 0.000 1.049 142 K CA 1.192 57.472 56.287 -0.010 0.000 0.939 142 K CB -0.116 32.377 32.500 -0.012 0.000 0.717 142 K HN 0.329 nan 8.250 nan 0.000 0.438 143 E N 1.026 121.222 120.200 -0.007 0.000 2.110 143 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 143 E C 1.958 178.560 176.600 0.003 0.000 0.988 143 E CA 1.064 57.463 56.400 -0.001 0.000 0.804 143 E CB -0.072 29.628 29.700 -0.001 0.000 0.745 143 E HN 0.311 nan 8.360 nan 0.000 0.458 144 L N 0.299 121.523 121.223 0.002 0.000 2.492 144 L HA 0.015 4.354 4.340 -0.001 0.000 0.223 144 L C 0.492 177.366 176.870 0.006 0.000 1.132 144 L CA 0.028 54.872 54.840 0.007 0.000 0.850 144 L CB -0.389 41.673 42.059 0.005 0.000 0.966 144 L HN 0.116 nan 8.230 nan 0.000 0.454 145 N N 0.772 119.474 118.700 0.003 0.000 2.738 145 N HA -0.221 4.518 4.740 -0.001 0.000 0.249 145 N C -0.614 174.900 175.510 0.006 0.000 1.047 145 N CA 0.392 53.445 53.050 0.004 0.000 0.707 145 N CB -1.206 37.285 38.487 0.007 0.000 0.937 145 N HN 0.305 nan 8.380 nan 0.000 0.545 146 I N 0.843 121.414 120.570 0.002 0.000 2.330 146 I HA 0.335 4.504 4.170 -0.001 0.000 0.289 146 I C -1.808 174.311 176.117 0.003 0.000 1.001 146 I CA -2.058 59.243 61.300 0.003 0.000 1.193 146 I CB 1.344 39.341 38.000 -0.005 0.000 1.345 146 I HN 0.027 nan 8.210 nan 0.000 0.461 147 P HA 0.149 nan 4.420 nan 0.000 0.263 147 P C -0.940 176.368 177.300 0.013 0.000 1.195 147 P CA 0.041 63.150 63.100 0.015 0.000 0.762 147 P CB 0.621 32.337 31.700 0.026 0.000 0.799 148 A N 2.939 125.765 122.820 0.011 0.000 2.520 148 A HA 0.633 4.952 4.320 -0.001 0.000 0.298 148 A C -1.061 176.535 177.584 0.020 0.000 1.051 148 A CA -0.765 51.278 52.037 0.009 0.000 0.690 148 A CB 1.281 20.276 19.000 -0.009 0.000 1.281 148 A HN 0.266 nan 8.150 nan 0.000 0.402 149 K N 0.703 121.123 120.400 0.032 0.000 2.183 149 K HA 0.604 4.923 4.320 -0.001 0.000 0.274 149 K C -0.743 175.895 176.600 0.063 0.000 1.009 149 K CA -0.300 56.013 56.287 0.043 0.000 0.888 149 K CB 1.669 34.200 32.500 0.050 0.000 1.078 149 K HN 0.378 nan 8.250 nan 0.000 0.459 150 V N 2.328 122.275 119.914 0.055 0.000 2.398 150 V HA 0.887 5.006 4.120 -0.001 0.000 0.286 150 V C 0.497 176.635 176.094 0.074 0.000 1.026 150 V CA -0.303 62.040 62.300 0.073 0.000 0.868 150 V CB 1.134 32.984 31.823 0.045 0.000 0.982 150 V HN 0.907 nan 8.190 nan 0.000 0.443 151 G N 3.980 112.847 108.800 0.110 0.000 2.325 151 G HA2 0.264 4.224 3.960 -0.001 0.000 0.295 151 G HA3 0.264 4.224 3.960 -0.001 0.000 0.295 151 G C -1.403 173.512 174.900 0.025 0.000 1.274 151 G CA -1.063 44.067 45.100 0.050 0.000 0.857 151 G HN 0.505 nan 8.290 nan 0.000 0.499 152 K N -0.023 120.312 120.400 -0.109 0.000 2.401 152 K HA 0.476 4.795 4.320 -0.001 0.000 0.278 152 K C 0.527 176.948 176.600 -0.299 0.000 1.018 152 K CA 0.467 56.618 56.287 -0.226 0.000 0.981 152 K CB 1.132 33.319 32.500 -0.522 0.000 0.933 152 K HN 0.699 nan 8.250 nan 0.000 0.477 153 G N 1.436 109.899 108.800 -0.563 0.000 2.597 153 G HA2 0.631 4.591 3.960 -0.001 0.000 0.317 153 G HA3 0.631 4.591 3.960 -0.001 0.000 0.317 153 G C -1.734 173.079 174.900 -0.145 0.000 1.230 153 G CA -0.513 43.956 45.100 -1.051 0.000 0.996 153 G HN 0.459 nan 8.290 nan 0.000 0.490 154 F N 0.485 120.295 119.950 -0.234 0.000 2.562 154 F HA 0.560 5.087 4.527 -0.001 0.000 0.319 154 F C -0.261 175.486 175.800 -0.088 0.000 1.154 154 F CA -0.858 57.078 58.000 -0.108 0.000 0.931 154 F CB 2.260 41.149 39.000 -0.185 0.000 1.198 154 F HN 0.295 nan 8.300 nan 0.000 0.444 155 S N 4.177 119.475 115.700 -0.671 0.000 2.423 155 S HA 0.301 4.771 4.470 -0.001 0.000 0.317 155 S C -0.028 174.148 174.600 -0.706 0.000 1.065 155 S CA -0.436 57.478 58.200 -0.478 0.000 1.111 155 S CB 0.994 63.990 63.200 -0.340 0.000 0.968 155 S HN 0.715 nan 8.310 nan 0.000 0.474 156 T N 1.367 115.690 114.554 -0.385 0.000 2.922 156 T HA 0.233 4.582 4.350 -0.001 0.000 0.285 156 T C 0.414 175.057 174.700 -0.096 0.000 1.005 156 T CA -0.553 61.425 62.100 -0.203 0.000 1.061 156 T CB 0.775 69.697 68.868 0.089 0.000 1.007 156 T HN 0.377 nan 8.240 nan 0.000 0.502 157 D N 1.610 121.979 120.400 -0.051 0.000 2.346 157 D HA 0.175 4.815 4.640 -0.001 0.000 0.206 157 D C -0.287 176.037 176.300 0.040 0.000 1.001 157 D CA 0.371 54.362 54.000 -0.014 0.000 0.871 157 D CB 0.215 41.005 40.800 -0.017 0.000 0.943 157 D HN 0.178 nan 8.370 nan 0.000 0.518 158 L N 1.338 122.596 121.223 0.058 0.000 2.356 158 L HA 0.220 4.559 4.340 -0.001 0.000 0.264 158 L C 0.658 177.573 176.870 0.075 0.000 1.029 158 L CA -0.632 54.263 54.840 0.092 0.000 0.897 158 L CB 0.399 42.510 42.059 0.087 0.000 1.256 158 L HN -0.107 nan 8.230 nan 0.000 0.444 159 F N 3.323 123.227 119.950 -0.078 0.000 2.091 159 F HA -0.184 4.342 4.527 -0.002 0.000 0.299 159 F C 0.526 176.131 175.800 -0.324 0.000 1.103 159 F CA 1.483 59.342 58.000 -0.235 0.000 1.228 159 F CB 0.084 38.855 39.000 -0.381 0.000 0.984 159 F HN 0.344 nan 8.300 nan 0.000 0.477 160 Y N 1.497 121.943 120.300 0.243 0.000 2.751 160 Y HA 0.192 4.741 4.550 -0.001 0.000 0.333 160 Y C 0.112 176.045 175.900 0.055 0.000 1.122 160 Y CA -1.049 57.129 58.100 0.129 0.000 1.367 160 Y CB -0.522 38.049 38.460 0.185 0.000 1.242 160 Y HN -0.080 nan 8.280 nan 0.000 0.505 161 N N 4.162 122.909 118.700 0.080 0.000 2.420 161 N HA 0.086 4.826 4.740 -0.001 0.000 0.262 161 N C -1.717 173.826 175.510 0.055 0.000 1.144 161 N CA -1.459 51.622 53.050 0.051 0.000 0.952 161 N CB 1.409 39.891 38.487 -0.008 0.000 1.081 161 N HN 0.317 nan 8.380 nan 0.000 0.480 162 P HA -0.064 nan 4.420 nan 0.000 0.217 162 P C -0.302 177.010 177.300 0.020 0.000 1.150 162 P CA 1.076 64.201 63.100 0.043 0.000 0.832 162 P CB 0.261 31.986 31.700 0.041 0.000 0.787 163 Q N 0.094 119.900 119.800 0.009 0.000 2.641 163 Q HA 0.061 4.400 4.340 -0.001 0.000 0.225 163 Q C 0.953 176.938 176.000 -0.025 0.000 1.309 163 Q CA 0.241 56.038 55.803 -0.009 0.000 0.935 163 Q CB -0.242 28.485 28.738 -0.018 0.000 1.557 163 Q HN 0.306 nan 8.270 nan 0.000 0.563 164 T N -1.700 112.845 114.554 -0.015 0.000 3.007 164 T HA -0.140 4.210 4.350 -0.001 0.000 0.270 164 T C 1.177 175.857 174.700 -0.034 0.000 1.107 164 T CA 0.945 63.032 62.100 -0.020 0.000 1.118 164 T CB 0.153 69.018 68.868 -0.004 0.000 0.889 164 T HN 0.475 nan 8.240 nan 0.000 0.506 165 E N 0.119 120.298 120.200 -0.036 0.000 2.299 165 E HA 0.101 4.451 4.350 -0.001 0.000 0.193 165 E C 1.872 178.430 176.600 -0.070 0.000 0.998 165 E CA 0.189 56.565 56.400 -0.040 0.000 0.851 165 E CB -0.162 29.521 29.700 -0.028 0.000 0.795 165 E HN 0.314 nan 8.360 nan 0.000 0.492 166 L N 1.316 122.479 121.223 -0.101 0.000 2.043 166 L HA -0.224 4.116 4.340 -0.001 0.000 0.212 166 L C 2.218 178.956 176.870 -0.220 0.000 1.075 166 L CA 2.022 56.754 54.840 -0.180 0.000 0.752 166 L CB -0.648 41.276 42.059 -0.224 0.000 0.891 166 L HN 0.044 nan 8.230 nan 0.000 0.432 167 A N -1.377 121.340 122.820 -0.172 0.000 1.892 167 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 167 A C 2.216 179.736 177.584 -0.106 0.000 1.188 167 A CA 1.945 53.890 52.037 -0.154 0.000 0.631 167 A CB -0.615 18.328 19.000 -0.095 0.000 0.822 167 A HN 0.598 nan 8.150 nan 0.000 0.447 168 Q N -0.787 118.972 119.800 -0.069 0.000 2.123 168 Q HA -0.008 4.331 4.340 -0.001 0.000 0.199 168 Q C 2.175 178.151 176.000 -0.040 0.000 0.966 168 Q CA 0.802 56.580 55.803 -0.041 0.000 0.845 168 Q CB -0.365 28.357 28.738 -0.026 0.000 0.907 168 Q HN 0.724 nan 8.270 nan 0.000 0.439 169 L N -0.001 121.196 121.223 -0.043 0.000 2.046 169 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 169 L C 2.285 179.209 176.870 0.090 0.000 1.077 169 L CA 1.032 55.889 54.840 0.029 0.000 0.747 169 L CB -0.158 41.902 42.059 0.002 0.000 0.896 169 L HN 0.301 nan 8.230 nan 0.000 0.432 170 M N -1.014 118.539 119.600 -0.079 0.000 2.229 170 M HA -0.198 4.281 4.480 -0.001 0.000 0.264 170 M C 1.833 178.216 176.300 0.138 0.000 1.063 170 M CA 1.474 56.732 55.300 -0.070 0.000 1.114 170 M CB -0.539 31.785 32.600 -0.460 0.000 1.387 170 M HN 0.279 nan 8.290 nan 0.000 0.420 171 N N 1.024 119.734 118.700 0.018 0.000 2.188 171 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 171 N C 1.395 176.805 175.510 -0.166 0.000 1.018 171 N CA 1.395 54.443 53.050 -0.004 0.000 0.858 171 N CB 0.047 38.536 38.487 0.004 0.000 0.989 171 N HN 0.227 nan 8.380 nan 0.000 0.426 172 K N -1.055 119.239 120.400 -0.176 0.000 2.097 172 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 172 K C 0.939 177.167 176.600 -0.620 0.000 1.049 172 K CA 1.032 57.087 56.287 -0.387 0.000 0.933 172 K CB -0.182 32.131 32.500 -0.313 0.000 0.717 172 K HN 0.222 nan 8.250 nan 0.000 0.442 173 F N 0.307 120.163 119.950 -0.157 0.000 2.797 173 F HA 0.073 4.600 4.527 -0.000 0.000 0.302 173 F C 0.013 175.785 175.800 -0.047 0.000 1.130 173 F CA 0.273 58.249 58.000 -0.040 0.000 1.387 173 F CB -0.052 39.074 39.000 0.210 0.000 1.107 173 F HN 0.122 nan 8.300 nan 0.000 0.577 174 H N -1.580 117.596 119.070 0.177 0.000 2.826 174 H HA -0.192 4.364 4.556 -0.001 0.000 0.306 174 H C -0.222 175.124 175.328 0.031 0.000 1.235 174 H CA 0.074 56.169 56.048 0.078 0.000 1.150 174 H CB -2.400 27.365 29.762 0.005 0.000 1.409 174 H HN 0.106 nan 8.280 nan 0.000 0.420 175 F N 0.227 120.224 119.950 0.080 0.000 2.484 175 F HA 0.016 4.542 4.527 -0.002 0.000 0.360 175 F C 1.709 177.518 175.800 0.015 0.000 1.101 175 F CA -0.452 57.563 58.000 0.024 0.000 1.251 175 F CB 0.571 39.549 39.000 -0.036 0.000 1.132 175 F HN -0.053 nan 8.300 nan 0.000 0.570 176 L N 2.610 123.910 121.223 0.127 0.000 2.007 176 L HA 0.123 4.463 4.340 -0.001 0.000 0.205 176 L C 1.106 178.036 176.870 0.099 0.000 1.073 176 L CA 1.507 56.413 54.840 0.110 0.000 0.744 176 L CB -1.099 41.040 42.059 0.134 0.000 0.898 176 L HN 0.706 nan 8.230 nan 0.000 0.435 177 A N -2.192 120.708 122.820 0.133 0.000 2.567 177 A HA 0.728 5.047 4.320 -0.001 0.000 0.289 177 A C -1.560 176.114 177.584 0.149 0.000 1.177 177 A CA -0.464 51.651 52.037 0.130 0.000 0.694 177 A CB 1.293 20.427 19.000 0.224 0.000 1.292 177 A HN -0.218 nan 8.150 nan 0.000 0.425 178 V N 1.146 121.147 119.914 0.145 0.000 2.588 178 V HA 0.634 4.753 4.120 -0.001 0.000 0.304 178 V C -0.380 175.815 176.094 0.170 0.000 1.042 178 V CA -0.298 62.099 62.300 0.162 0.000 0.877 178 V CB 1.369 33.251 31.823 0.099 0.000 0.996 178 V HN 1.175 nan 8.190 nan 0.000 0.425 179 E N 4.185 124.491 120.200 0.177 0.000 2.419 179 E HA 0.674 5.024 4.350 -0.001 0.000 0.222 179 E C -0.565 176.077 176.600 0.069 0.000 0.826 179 E CA -0.856 55.637 56.400 0.154 0.000 0.903 179 E CB 1.324 31.149 29.700 0.209 0.000 1.838 179 E HN 0.349 nan 8.360 nan 0.000 0.403 180 M N -0.402 119.227 119.600 0.049 0.000 3.039 180 M HA 0.368 4.847 4.480 -0.001 0.000 0.442 180 M C -0.670 175.587 176.300 -0.071 0.000 1.408 180 M CA 0.175 55.466 55.300 -0.014 0.000 0.804 180 M CB 0.775 33.399 32.600 0.040 0.000 1.471 180 M HN 0.470 nan 8.290 nan 0.000 0.516 181 E N -1.044 119.087 120.200 -0.116 0.000 2.701 181 E HA 0.187 4.536 4.350 -0.001 0.000 0.201 181 E C 1.536 177.954 176.600 -0.302 0.000 0.961 181 E CA 0.299 56.569 56.400 -0.217 0.000 1.659 181 E CB 0.289 29.790 29.700 -0.332 0.000 1.970 181 E HN 0.076 nan 8.360 nan 0.000 1.021 182 S N 1.423 116.934 115.700 -0.314 0.000 2.381 182 S HA -0.314 4.155 4.470 -0.001 0.000 0.230 182 S C 2.126 176.225 174.600 -0.834 0.000 1.052 182 S CA 1.696 59.496 58.200 -0.665 0.000 1.068 182 S CB -0.516 62.454 63.200 -0.383 0.000 0.918 182 S HN 0.429 nan 8.310 nan 0.000 0.448 183 A N 0.943 123.493 122.820 -0.449 0.000 2.024 183 A HA 0.048 4.367 4.320 -0.001 0.000 0.220 183 A C 2.231 179.670 177.584 -0.241 0.000 1.164 183 A CA 1.784 53.646 52.037 -0.292 0.000 0.643 183 A CB -1.087 17.776 19.000 -0.228 0.000 0.806 183 A HN 0.556 nan 8.150 nan 0.000 0.451 184 G N -0.900 107.748 108.800 -0.254 0.000 2.411 184 G HA2 0.009 3.968 3.960 -0.001 0.000 0.213 184 G HA3 0.009 3.968 3.960 -0.001 0.000 0.213 184 G C 1.519 176.333 174.900 -0.143 0.000 1.166 184 G CA 0.603 45.594 45.100 -0.181 0.000 0.802 184 G HN 0.381 nan 8.290 nan 0.000 0.533 185 L N -0.177 120.926 121.223 -0.200 0.000 1.976 185 L HA -0.011 4.328 4.340 -0.001 0.000 0.209 185 L C 2.792 179.762 176.870 0.166 0.000 1.071 185 L CA 1.513 56.318 54.840 -0.058 0.000 0.746 185 L CB -0.422 41.559 42.059 -0.130 0.000 0.890 185 L HN 0.296 nan 8.230 nan 0.000 0.432 186 F N 0.151 120.126 119.950 0.042 0.000 2.065 186 F HA -0.242 4.284 4.527 -0.002 0.000 0.298 186 F C -0.037 175.782 175.800 0.032 0.000 1.112 186 F CA 0.825 58.860 58.000 0.060 0.000 1.212 186 F CB -1.905 37.143 39.000 0.079 0.000 0.975 186 F HN 0.241 nan 8.300 nan 0.000 0.476 187 P HA -0.149 nan 4.420 nan 0.000 0.217 187 P C 1.585 178.874 177.300 -0.019 0.000 1.150 187 P CA 1.404 64.441 63.100 -0.106 0.000 0.832 187 P CB -0.089 31.272 31.700 -0.565 0.000 0.787 188 I N -0.617 119.989 120.570 0.059 0.000 2.264 188 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 188 I C 2.268 178.514 176.117 0.215 0.000 1.111 188 I CA 1.512 62.922 61.300 0.183 0.000 1.382 188 I CB -0.773 37.373 38.000 0.244 0.000 1.060 188 I HN -0.067 nan 8.210 nan 0.000 0.418 189 A N 0.478 123.380 122.820 0.137 0.000 1.902 189 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 189 A C 1.948 179.461 177.584 -0.118 0.000 1.181 189 A CA 1.977 53.899 52.037 -0.192 0.000 0.623 189 A CB -0.538 18.444 19.000 -0.029 0.000 0.818 189 A HN 0.330 nan 8.150 nan 0.000 0.443 190 D N -0.348 120.055 120.400 0.005 0.000 2.104 190 D HA -0.149 4.490 4.640 -0.001 0.000 0.194 190 D C 1.842 178.127 176.300 -0.026 0.000 0.994 190 D CA 1.370 55.377 54.000 0.012 0.000 0.830 190 D CB -0.527 40.336 40.800 0.104 0.000 0.959 190 D HN 0.323 nan 8.370 nan 0.000 0.452 191 L N -0.190 121.012 121.223 -0.036 0.000 2.081 191 L HA -0.205 4.135 4.340 -0.001 0.000 0.212 191 L C 1.546 178.240 176.870 -0.293 0.000 1.080 191 L CA 1.663 56.413 54.840 -0.150 0.000 0.754 191 L CB -0.576 41.373 42.059 -0.184 0.000 0.893 191 L HN 0.086 nan 8.230 nan 0.000 0.433 192 Y N -0.163 120.069 120.300 -0.113 0.000 2.461 192 Y HA 0.349 4.900 4.550 0.001 0.000 0.277 192 Y C 1.740 177.551 175.900 -0.149 0.000 1.182 192 Y CA 0.246 58.270 58.100 -0.128 0.000 1.276 192 Y CB -0.292 38.064 38.460 -0.173 0.000 1.087 192 Y HN 0.267 nan 8.280 nan 0.000 0.519 193 G N 0.373 109.141 108.800 -0.052 0.000 2.225 193 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.267 193 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.267 193 G C 0.385 175.240 174.900 -0.074 0.000 1.024 193 G CA 0.292 45.363 45.100 -0.048 0.000 0.784 193 G HN 0.638 nan 8.290 nan 0.000 0.507 194 A N -0.918 121.792 122.820 -0.183 0.000 2.624 194 A HA 0.993 5.312 4.320 -0.001 0.000 0.267 194 A C 0.519 177.997 177.584 -0.176 0.000 1.282 194 A CA -0.578 51.314 52.037 -0.242 0.000 0.934 194 A CB 1.000 19.630 19.000 -0.616 0.000 1.510 194 A HN 0.499 nan 8.150 nan 0.000 0.477 195 R N -1.571 118.879 120.500 -0.084 0.000 2.740 195 R HA 0.715 5.055 4.340 -0.001 0.000 0.282 195 R C -0.968 175.406 176.300 0.123 0.000 0.969 195 R CA -0.371 55.733 56.100 0.007 0.000 0.918 195 R CB 2.305 32.616 30.300 0.019 0.000 1.175 195 R HN 0.954 nan 8.270 nan 0.000 0.464 196 A N 0.674 123.555 122.820 0.101 0.000 2.549 196 A HA 0.871 5.191 4.320 -0.001 0.000 0.297 196 A C -1.043 176.584 177.584 0.071 0.000 1.061 196 A CA -0.544 51.615 52.037 0.204 0.000 0.690 196 A CB 2.269 21.516 19.000 0.411 0.000 1.287 196 A HN 0.788 nan 8.150 nan 0.000 0.402 197 G N -1.301 107.609 108.800 0.183 0.000 2.682 197 G HA2 0.628 4.587 3.960 -0.001 0.000 0.290 197 G HA3 0.628 4.587 3.960 -0.001 0.000 0.290 197 G C -1.532 173.526 174.900 0.264 0.000 1.425 197 G CA 0.067 45.237 45.100 0.117 0.000 0.807 197 G HN 1.849 nan 8.290 nan 0.000 0.482 198 C N 0.192 119.604 119.300 0.186 0.000 2.891 198 C HA 0.822 5.282 4.460 -0.001 0.000 0.342 198 C C -1.170 173.700 174.990 -0.200 0.000 1.126 198 C CA -0.578 58.451 59.018 0.019 0.000 1.322 198 C CB 0.241 28.023 27.740 0.069 0.000 1.763 198 C HN 0.880 nan 8.230 nan 0.000 0.491 199 I N 5.428 125.840 120.570 -0.263 0.000 2.607 199 I HA 0.719 4.888 4.170 -0.001 0.000 0.290 199 I C -0.848 175.085 176.117 -0.307 0.000 1.129 199 I CA 0.039 61.167 61.300 -0.286 0.000 1.042 199 I CB 1.366 39.250 38.000 -0.192 0.000 1.242 199 I HN 0.813 nan 8.210 nan 0.000 0.421 200 C N 3.765 122.876 119.300 -0.315 0.000 2.994 200 C HA 0.628 5.087 4.460 -0.001 0.000 0.304 200 C C -0.014 174.910 174.990 -0.109 0.000 1.273 200 C CA -0.494 58.398 59.018 -0.209 0.000 1.537 200 C CB 2.106 29.716 27.740 -0.216 0.000 2.001 200 C HN 0.730 nan 8.230 nan 0.000 0.471 201 T N 1.326 115.852 114.554 -0.047 0.000 2.758 201 T HA 0.483 4.833 4.350 -0.001 0.000 0.285 201 T C -0.517 174.217 174.700 0.058 0.000 0.981 201 T CA -0.196 61.912 62.100 0.013 0.000 0.965 201 T CB 0.388 69.286 68.868 0.050 0.000 0.927 201 T HN 0.499 nan 8.240 nan 0.000 0.448 202 V N 6.481 126.431 119.914 0.061 0.000 2.425 202 V HA 0.092 4.211 4.120 -0.001 0.000 0.276 202 V C 1.638 177.783 176.094 0.085 0.000 1.017 202 V CA 0.504 62.845 62.300 0.067 0.000 1.062 202 V CB 0.283 32.141 31.823 0.059 0.000 0.997 202 V HN 1.085 nan 8.190 nan 0.000 0.476 203 S N 1.870 117.623 115.700 0.089 0.000 2.528 203 S HA 0.156 4.625 4.470 -0.001 0.000 0.219 203 S C 0.260 174.919 174.600 0.099 0.000 0.985 203 S CA 0.178 58.437 58.200 0.098 0.000 0.914 203 S CB 0.084 63.346 63.200 0.103 0.000 0.776 203 S HN 0.834 nan 8.310 nan 0.000 0.526 204 D N -1.015 119.438 120.400 0.089 0.000 2.798 204 D HA 0.240 4.879 4.640 -0.001 0.000 0.265 204 D C -1.995 174.346 176.300 0.068 0.000 1.223 204 D CA -0.485 53.578 54.000 0.104 0.000 0.743 204 D CB 0.688 41.559 40.800 0.119 0.000 1.276 204 D HN 0.077 nan 8.370 nan 0.000 0.421 205 H N 1.739 120.818 119.070 0.015 0.000 2.457 205 H HA 0.392 4.947 4.556 -0.001 0.000 0.335 205 H C 0.858 176.131 175.328 -0.092 0.000 1.115 205 H CA -0.444 55.555 56.048 -0.082 0.000 1.219 205 H CB 1.497 31.128 29.762 -0.217 0.000 1.471 205 H HN 0.539 nan 8.280 nan 0.000 0.491 206 I N 1.851 122.436 120.570 0.025 0.000 3.226 206 I HA 0.036 4.205 4.170 -0.001 0.000 0.277 206 I C 0.566 176.738 176.117 0.092 0.000 1.243 206 I CA 0.504 61.823 61.300 0.031 0.000 1.459 206 I CB 0.262 38.213 38.000 -0.082 0.000 1.093 206 I HN 0.338 nan 8.210 nan 0.000 0.453 207 L N 0.995 122.344 121.223 0.210 0.000 2.567 207 L HA 0.247 4.586 4.340 -0.001 0.000 0.225 207 L C 0.079 176.949 176.870 -0.000 0.000 1.119 207 L CA -0.021 54.849 54.840 0.049 0.000 0.871 207 L CB -0.404 41.695 42.059 0.066 0.000 1.036 207 L HN 0.580 nan 8.230 nan 0.000 0.459 208 H N -4.910 114.187 119.070 0.046 0.000 2.950 208 H HA 0.338 4.893 4.556 -0.001 0.000 0.307 208 H C -1.190 174.200 175.328 0.103 0.000 1.403 208 H CA -1.273 54.785 56.048 0.018 0.000 1.145 208 H CB 0.428 30.141 29.762 -0.081 0.000 1.844 208 H HN -0.060 nan 8.280 nan 0.000 0.515 209 H N 0.342 119.567 119.070 0.258 0.000 2.604 209 H HA 0.494 5.049 4.556 -0.001 0.000 0.306 209 H C -0.566 174.879 175.328 0.196 0.000 1.075 209 H CA -0.033 56.129 56.048 0.191 0.000 1.357 209 H CB 0.718 30.546 29.762 0.110 0.000 1.426 209 H HN 0.666 nan 8.280 nan 0.000 0.470 217 R N 0.980 121.513 120.500 0.054 0.000 2.236 217 R HA 0.184 4.524 4.340 -0.001 0.000 0.208 217 R C 1.860 178.220 176.300 0.101 0.000 1.036 217 R CA 0.797 56.942 56.100 0.074 0.000 1.001 217 R CB -0.134 30.201 30.300 0.059 0.000 0.896 217 R HN -0.047 nan 8.270 nan 0.000 0.464 218 Q N 1.279 121.127 119.800 0.081 0.000 2.049 218 Q HA -0.027 4.312 4.340 -0.001 0.000 0.198 218 Q C 1.596 177.692 176.000 0.160 0.000 0.971 218 Q CA 1.257 57.125 55.803 0.108 0.000 0.833 218 Q CB -0.312 28.461 28.738 0.059 0.000 0.896 218 Q HN 0.509 nan 8.270 nan 0.000 0.434 219 N N 0.436 119.202 118.700 0.110 0.000 2.061 219 N HA -0.156 4.583 4.740 -0.001 0.000 0.193 219 N C 1.840 177.413 175.510 0.106 0.000 1.030 219 N CA 1.484 54.593 53.050 0.098 0.000 0.856 219 N CB -0.341 38.187 38.487 0.068 0.000 1.023 219 N HN 0.112 nan 8.380 nan 0.000 0.424 220 S N 0.483 116.248 115.700 0.109 0.000 2.359 220 S HA -0.124 4.345 4.470 -0.001 0.000 0.224 220 S C 1.786 176.443 174.600 0.095 0.000 1.035 220 S CA 0.798 59.053 58.200 0.091 0.000 1.018 220 S CB -0.398 62.860 63.200 0.097 0.000 0.876 220 S HN 0.334 nan 8.310 nan 0.000 0.448 221 F N 2.052 122.014 119.950 0.019 0.000 2.102 221 F HA -0.070 4.457 4.527 -0.001 0.000 0.298 221 F C 2.473 178.282 175.800 0.014 0.000 1.105 221 F CA 1.886 59.892 58.000 0.009 0.000 1.239 221 F CB -0.492 38.519 39.000 0.018 0.000 0.991 221 F HN 0.302 nan 8.300 nan 0.000 0.474 222 Q N -0.108 119.847 119.800 0.258 0.000 2.170 222 Q HA -0.203 4.137 4.340 -0.001 0.000 0.203 222 Q C 1.893 177.923 176.000 0.050 0.000 0.976 222 Q CA 1.778 57.710 55.803 0.214 0.000 0.858 222 Q CB -0.551 28.336 28.738 0.248 0.000 0.907 222 Q HN 0.613 nan 8.270 nan 0.000 0.433 223 N N 0.595 119.307 118.700 0.019 0.000 2.142 223 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 223 N C 1.893 177.345 175.510 -0.098 0.000 1.023 223 N CA 0.905 53.945 53.050 -0.017 0.000 0.852 223 N CB -0.081 38.406 38.487 0.001 0.000 0.998 223 N HN 0.227 nan 8.380 nan 0.000 0.424 224 M N 0.363 119.859 119.600 -0.174 0.000 2.117 224 M HA -0.163 4.316 4.480 -0.001 0.000 0.262 224 M C 1.625 177.726 176.300 -0.332 0.000 1.065 224 M CA 1.413 56.558 55.300 -0.258 0.000 1.114 224 M CB 0.033 32.421 32.600 -0.352 0.000 1.361 224 M HN 0.119 nan 8.290 nan 0.000 0.408 225 M N 0.700 120.039 119.600 -0.435 0.000 2.117 225 M HA -0.175 4.304 4.480 -0.001 0.000 0.262 225 M C 1.935 178.008 176.300 -0.378 0.000 1.065 225 M CA 1.766 56.752 55.300 -0.524 0.000 1.114 225 M CB -1.275 30.877 32.600 -0.746 0.000 1.361 225 M HN 0.303 nan 8.290 nan 0.000 0.408 226 K N 0.163 120.445 120.400 -0.197 0.000 2.032 226 K HA -0.117 4.203 4.320 -0.001 0.000 0.209 226 K C 2.002 178.533 176.600 -0.116 0.000 1.048 226 K CA 1.287 57.521 56.287 -0.088 0.000 0.927 226 K CB -0.306 32.198 32.500 0.006 0.000 0.712 226 K HN 0.291 nan 8.250 nan 0.000 0.441 227 I N 0.962 121.457 120.570 -0.126 0.000 2.142 227 I HA -0.303 3.866 4.170 -0.001 0.000 0.240 227 I C 2.578 178.608 176.117 -0.145 0.000 1.078 227 I CA 1.255 62.487 61.300 -0.113 0.000 1.343 227 I CB -0.485 37.450 38.000 -0.109 0.000 1.046 227 I HN 0.170 nan 8.210 nan 0.000 0.405 228 A N 1.010 123.709 122.820 -0.202 0.000 1.883 228 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 228 A C 2.316 179.760 177.584 -0.233 0.000 1.186 228 A CA 1.551 53.462 52.037 -0.211 0.000 0.624 228 A CB -0.940 17.907 19.000 -0.255 0.000 0.822 228 A HN 0.368 nan 8.150 nan 0.000 0.444 229 L N -0.675 120.345 121.223 -0.337 0.000 1.994 229 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 229 L C 2.726 179.442 176.870 -0.257 0.000 1.071 229 L CA 1.443 55.986 54.840 -0.496 0.000 0.745 229 L CB -0.562 40.948 42.059 -0.915 0.000 0.892 229 L HN 0.331 nan 8.230 nan 0.000 0.431 230 E N 0.132 120.268 120.200 -0.107 0.000 2.110 230 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 230 E C 2.261 178.857 176.600 -0.005 0.000 0.988 230 E CA 1.397 57.814 56.400 0.028 0.000 0.804 230 E CB -0.278 29.442 29.700 0.034 0.000 0.745 230 E HN 0.485 nan 8.360 nan 0.000 0.458 231 A N 1.333 124.120 122.820 -0.054 0.000 1.969 231 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 231 A C 2.407 179.966 177.584 -0.040 0.000 1.169 231 A CA 1.758 53.764 52.037 -0.053 0.000 0.635 231 A CB -0.450 18.505 19.000 -0.076 0.000 0.810 231 A HN 0.257 nan 8.150 nan 0.000 0.445 232 A N 0.141 122.929 122.820 -0.054 0.000 1.902 232 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 232 A C 1.991 179.585 177.584 0.016 0.000 1.181 232 A CA 1.611 53.630 52.037 -0.030 0.000 0.623 232 A CB -0.469 18.493 19.000 -0.064 0.000 0.818 232 A HN 0.396 nan 8.150 nan 0.000 0.443 233 I N 0.034 120.634 120.570 0.049 0.000 2.226 233 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 233 I C 2.139 178.281 176.117 0.043 0.000 1.100 233 I CA 1.580 62.928 61.300 0.080 0.000 1.374 233 I CB -1.161 36.919 38.000 0.133 0.000 1.057 233 I HN 0.375 nan 8.210 nan 0.000 0.413 234 K N 0.236 120.650 120.400 0.023 0.000 2.280 234 K HA -0.044 4.275 4.320 -0.001 0.000 0.202 234 K C 0.949 177.550 176.600 0.002 0.000 1.047 234 K CA 0.596 56.887 56.287 0.007 0.000 0.942 234 K CB 0.001 32.495 32.500 -0.011 0.000 0.739 234 K HN 0.238 nan 8.250 nan 0.000 0.457 235 L N 0.000 121.225 121.223 0.004 0.000 2.949 235 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 235 L CA 0.000 54.843 54.840 0.005 0.000 0.813 235 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502