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 3mhp_1_B DATA FIRST_RESID 14 DATA SEQUENCE SKKQDENIVV NKFKPKEPYV GRCLLNTKIT GDDAPGETWH MVFSTEGEVP DATA SEQUENCE YREGQSIGIV PDGIDKNGKP HKLRLYSIAS SAIGDFGDSK TVSLCVKRLV DATA SEQUENCE YXXXXXXXVK GVCSNFLCDL KPGSEVKITG PVGKEMLMPK DPNATVIMLG DATA SEQUENCE TGTGIAPFRS FLWKMFFEKH EDYQFNGLAW LFLGVPTSSS LLYKEEFEKM DATA SEQUENCE KEKAPENFRL DFAVSREQVN DKGEKMYIQT RMAQYAEELW ELLKKDNTFV DATA SEQUENCE YMCGLKGMEK GIDDIMVSLA AKDGIDWIEY KRTLKKAEQW NVEVYL 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.637 174.600 0.061 0.000 1.055 14 S CA 0.000 58.232 58.200 0.053 0.000 1.107 14 S CB 0.000 63.227 63.200 0.044 0.000 0.593 15 K N 1.209 121.667 120.400 0.097 0.000 2.404 15 K HA 0.216 4.614 4.320 0.131 0.000 0.194 15 K C 0.184 176.794 176.600 0.018 0.000 1.023 15 K CA 0.239 56.594 56.287 0.112 0.000 1.094 15 K CB 0.170 32.838 32.500 0.279 0.000 0.841 15 K HN 0.320 nan 8.250 nan 0.000 0.523 16 K N 0.990 121.400 120.400 0.016 0.000 2.139 16 K HA 0.209 4.608 4.320 0.131 0.000 0.243 16 K C -0.265 176.304 176.600 -0.053 0.000 0.983 16 K CA -0.567 55.700 56.287 -0.034 0.000 0.890 16 K CB 1.143 33.661 32.500 0.030 0.000 1.090 16 K HN -0.060 nan 8.250 nan 0.000 0.445 17 Q N 2.267 122.005 119.800 -0.104 0.000 2.815 17 Q HA -0.018 4.401 4.340 0.131 0.000 0.235 17 Q C -0.530 175.421 176.000 -0.082 0.000 1.354 17 Q CA 0.062 55.794 55.803 -0.119 0.000 0.953 17 Q CB -0.171 28.439 28.738 -0.215 0.000 1.613 17 Q HN 0.485 nan 8.270 nan 0.000 0.572 18 D N 0.019 120.392 120.400 -0.044 0.000 2.440 18 D HA -0.075 4.643 4.640 0.131 0.000 0.216 18 D C 0.010 176.295 176.300 -0.025 0.000 1.150 18 D CA -0.193 53.792 54.000 -0.024 0.000 0.832 18 D CB 0.280 41.079 40.800 -0.001 0.000 0.992 18 D HN 0.303 nan 8.370 nan 0.000 0.502 19 E N 1.567 121.746 120.200 -0.036 0.000 2.415 19 E HA -0.035 4.393 4.350 0.131 0.000 0.260 19 E C -0.262 176.319 176.600 -0.033 0.000 1.016 19 E CA -0.224 56.158 56.400 -0.030 0.000 0.924 19 E CB 0.043 29.722 29.700 -0.034 0.000 0.961 19 E HN -0.005 nan 8.360 nan 0.000 0.459 20 N N 0.808 119.494 118.700 -0.023 0.000 2.714 20 N HA -0.235 4.583 4.740 0.131 0.000 0.250 20 N C -0.033 175.462 175.510 -0.024 0.000 1.117 20 N CA 0.789 53.825 53.050 -0.023 0.000 0.719 20 N CB -1.540 36.931 38.487 -0.028 0.000 1.081 20 N HN 0.777 nan 8.380 nan 0.000 0.557 21 I N -0.108 120.451 120.570 -0.019 0.000 2.872 21 I HA 0.033 4.282 4.170 0.131 0.000 0.291 21 I C 0.046 176.161 176.117 -0.003 0.000 1.216 21 I CA -0.013 61.281 61.300 -0.011 0.000 1.424 21 I CB 0.454 38.453 38.000 -0.001 0.000 1.351 21 I HN -0.143 nan 8.210 nan 0.000 0.592 22 V N 7.624 127.542 119.914 0.007 0.000 2.540 22 V HA 0.509 4.708 4.120 0.131 0.000 0.302 22 V C -0.475 175.639 176.094 0.033 0.000 1.035 22 V CA -0.469 61.838 62.300 0.012 0.000 0.873 22 V CB 1.642 33.471 31.823 0.010 0.000 0.992 22 V HN 0.608 nan 8.190 nan 0.000 0.428 23 V N 0.949 120.878 119.914 0.026 0.000 2.888 23 V HA 0.622 4.821 4.120 0.131 0.000 0.309 23 V C -0.081 176.029 176.094 0.028 0.000 1.114 23 V CA -0.946 61.377 62.300 0.039 0.000 0.940 23 V CB 1.475 33.319 31.823 0.035 0.000 1.021 23 V HN 0.904 nan 8.190 nan 0.000 0.426 24 N N 0.785 119.513 118.700 0.047 0.000 2.735 24 N HA -0.232 4.586 4.740 0.131 0.000 0.248 24 N C 1.101 176.608 175.510 -0.005 0.000 1.083 24 N CA 0.929 54.002 53.050 0.039 0.000 0.703 24 N CB -0.666 37.835 38.487 0.023 0.000 1.005 24 N HN 0.938 nan 8.380 nan 0.000 0.550 25 K N 0.059 120.444 120.400 -0.025 0.000 2.097 25 K HA -0.031 4.368 4.320 0.131 0.000 0.205 25 K C -0.204 176.152 176.600 -0.406 0.000 1.050 25 K CA 1.116 57.272 56.287 -0.219 0.000 0.938 25 K CB 0.148 32.501 32.500 -0.245 0.000 0.718 25 K HN 0.207 nan 8.250 nan 0.000 0.442 26 F N 1.084 121.066 119.950 0.052 0.000 2.458 26 F HA 0.350 4.955 4.527 0.129 0.000 0.336 26 F C -0.243 175.588 175.800 0.053 0.000 1.114 26 F CA -1.095 56.945 58.000 0.067 0.000 0.987 26 F CB 1.791 40.855 39.000 0.107 0.000 1.130 26 F HN -0.293 nan 8.300 nan 0.000 0.458 27 K N 3.916 124.436 120.400 0.199 0.000 2.166 27 K HA 0.402 4.800 4.320 0.131 0.000 0.245 27 K C -1.894 174.778 176.600 0.119 0.000 0.967 27 K CA -2.019 54.342 56.287 0.123 0.000 0.863 27 K CB 0.853 33.393 32.500 0.068 0.000 1.107 27 K HN 0.136 nan 8.250 nan 0.000 0.436 28 P HA -0.248 nan 4.420 nan 0.000 0.223 28 P C 0.203 177.530 177.300 0.044 0.000 1.144 28 P CA 1.355 64.489 63.100 0.058 0.000 0.783 28 P CB 0.256 31.980 31.700 0.041 0.000 0.771 29 K N 0.441 120.869 120.400 0.047 0.000 2.155 29 K HA -0.040 4.358 4.320 0.131 0.000 0.203 29 K C 1.088 177.715 176.600 0.044 0.000 1.052 29 K CA 0.935 57.242 56.287 0.034 0.000 0.948 29 K CB -0.046 32.472 32.500 0.029 0.000 0.728 29 K HN 0.080 nan 8.250 nan 0.000 0.448 30 E N 1.599 121.846 120.200 0.078 0.000 3.352 30 E HA 0.268 4.697 4.350 0.131 0.000 0.254 30 E C -2.686 174.024 176.600 0.184 0.000 1.229 30 E CA -2.255 54.206 56.400 0.103 0.000 0.949 30 E CB 1.244 31.007 29.700 0.105 0.000 1.373 30 E HN 0.071 nan 8.360 nan 0.000 0.392 31 P HA -0.025 nan 4.420 nan 0.000 0.271 31 P C -1.090 176.208 177.300 -0.003 0.000 1.233 31 P CA -0.154 63.005 63.100 0.100 0.000 0.789 31 P CB 0.287 31.991 31.700 0.006 0.000 0.951 32 Y N 1.295 121.355 120.300 -0.401 0.000 2.335 32 Y HA 0.329 4.959 4.550 0.132 0.000 0.331 32 Y C -0.621 175.072 175.900 -0.345 0.000 1.094 32 Y CA -0.468 57.201 58.100 -0.719 0.000 1.253 32 Y CB 0.507 38.076 38.460 -1.485 0.000 1.203 32 Y HN 0.005 nan 8.280 nan 0.000 0.508 33 V N 7.915 127.149 119.914 -1.134 0.000 2.320 33 V HA 0.466 4.664 4.120 0.131 0.000 0.265 33 V C 0.699 176.200 176.094 -0.988 0.000 1.048 33 V CA -0.071 61.758 62.300 -0.785 0.000 0.865 33 V CB 0.199 31.754 31.823 -0.447 0.000 1.043 33 V HN 1.023 nan 8.190 nan 0.000 0.474 34 G N 4.190 112.637 108.800 -0.589 0.000 2.531 34 G HA2 0.684 4.723 3.960 0.131 0.000 0.313 34 G HA3 0.684 4.723 3.960 0.131 0.000 0.313 34 G C -0.670 174.124 174.900 -0.177 0.000 1.238 34 G CA -0.762 44.213 45.100 -0.209 0.000 0.994 34 G HN 0.593 nan 8.290 nan 0.000 0.493 35 R N -1.418 119.056 120.500 -0.044 0.000 2.628 35 R HA 0.404 4.822 4.340 0.131 0.000 0.288 35 R C -0.834 175.501 176.300 0.057 0.000 0.980 35 R CA -0.666 55.408 56.100 -0.044 0.000 0.891 35 R CB 1.709 31.997 30.300 -0.021 0.000 1.188 35 R HN 0.630 nan 8.270 nan 0.000 0.450 36 C N 6.041 125.365 119.300 0.040 0.000 2.629 36 C HA 0.233 4.772 4.460 0.131 0.000 0.410 36 C C 1.442 176.507 174.990 0.125 0.000 1.339 36 C CA -0.326 58.809 59.018 0.195 0.000 1.810 36 C CB -0.949 26.852 27.740 0.100 0.000 2.549 36 C HN 0.915 nan 8.230 nan 0.000 0.589 37 L N 4.635 125.945 121.223 0.145 0.000 2.286 37 L HA 0.270 4.688 4.340 0.131 0.000 0.203 37 L C 0.330 177.250 176.870 0.084 0.000 1.068 37 L CA 0.445 55.330 54.840 0.075 0.000 0.811 37 L CB -0.411 41.674 42.059 0.043 0.000 0.989 37 L HN 0.749 nan 8.230 nan 0.000 0.467 38 L N -3.803 117.487 121.223 0.111 0.000 2.540 38 L HA 0.657 5.075 4.340 0.131 0.000 0.256 38 L C -1.197 175.746 176.870 0.121 0.000 1.001 38 L CA -0.645 54.270 54.840 0.125 0.000 0.843 38 L CB 1.840 44.001 42.059 0.170 0.000 1.436 38 L HN -0.234 nan 8.230 nan 0.000 0.410 39 N N 0.004 118.800 118.700 0.161 0.000 2.655 39 N HA 0.600 5.418 4.740 0.131 0.000 0.277 39 N C -1.850 173.883 175.510 0.372 0.000 1.177 39 N CA -0.073 53.115 53.050 0.230 0.000 0.882 39 N CB 2.084 40.664 38.487 0.155 0.000 1.481 39 N HN 0.902 nan 8.380 nan 0.000 0.547 40 T N 1.732 116.480 114.554 0.324 0.000 2.861 40 T HA 0.334 4.763 4.350 0.131 0.000 0.287 40 T C -0.232 174.341 174.700 -0.213 0.000 1.003 40 T CA -0.657 61.502 62.100 0.098 0.000 0.977 40 T CB 1.840 70.732 68.868 0.040 0.000 0.996 40 T HN 0.301 nan 8.240 nan 0.000 0.448 41 K N 3.136 123.005 120.400 -0.885 0.000 2.349 41 K HA 0.254 4.652 4.320 0.131 0.000 0.288 41 K C 1.046 177.304 176.600 -0.571 0.000 1.058 41 K CA -0.303 55.226 56.287 -1.264 0.000 0.953 41 K CB 0.143 31.706 32.500 -1.563 0.000 0.997 41 K HN 0.705 nan 8.250 nan 0.000 0.477 42 I N 0.544 120.862 120.570 -0.420 0.000 3.860 42 I HA 0.063 4.311 4.170 0.131 0.000 0.319 42 I C 0.369 176.318 176.117 -0.279 0.000 1.279 42 I CA -0.585 60.525 61.300 -0.315 0.000 1.220 42 I CB 0.166 37.953 38.000 -0.354 0.000 1.027 42 I HN 0.345 nan 8.210 nan 0.000 0.428 43 T N 0.092 114.483 114.554 -0.272 0.000 2.913 43 T HA 0.608 5.037 4.350 0.131 0.000 0.287 43 T C 0.647 175.241 174.700 -0.177 0.000 1.008 43 T CA -0.274 61.712 62.100 -0.189 0.000 1.067 43 T CB 1.612 70.398 68.868 -0.137 0.000 0.996 43 T HN 0.253 nan 8.240 nan 0.000 0.513 44 G N 0.852 109.575 108.800 -0.128 0.000 2.569 44 G HA2 0.243 4.282 3.960 0.131 0.000 0.249 44 G HA3 0.243 4.282 3.960 0.131 0.000 0.249 44 G C 0.441 175.287 174.900 -0.090 0.000 1.216 44 G CA -0.663 44.373 45.100 -0.107 0.000 0.845 44 G HN 0.745 nan 8.290 nan 0.000 0.568 45 D N 0.251 120.605 120.400 -0.077 0.000 2.182 45 D HA -0.101 4.617 4.640 0.131 0.000 0.201 45 D C 1.577 177.856 176.300 -0.035 0.000 0.986 45 D CA 1.080 55.047 54.000 -0.055 0.000 0.847 45 D CB 0.136 40.910 40.800 -0.043 0.000 0.942 45 D HN 0.362 nan 8.370 nan 0.000 0.467 46 D N 0.172 120.551 120.400 -0.035 0.000 2.363 46 D HA 0.075 4.793 4.640 0.131 0.000 0.220 46 D C 0.611 176.900 176.300 -0.019 0.000 0.994 46 D CA 0.148 54.134 54.000 -0.023 0.000 0.890 46 D CB -0.152 40.634 40.800 -0.023 0.000 0.906 46 D HN 0.087 nan 8.370 nan 0.000 0.530 47 A N 1.875 124.679 122.820 -0.027 0.000 2.445 47 A HA 0.238 4.636 4.320 0.131 0.000 0.242 47 A C -0.896 176.689 177.584 0.002 0.000 1.075 47 A CA -0.816 51.211 52.037 -0.017 0.000 0.777 47 A CB 0.427 19.409 19.000 -0.030 0.000 1.013 47 A HN -0.026 nan 8.150 nan 0.000 0.493 48 P HA 0.011 nan 4.420 nan 0.000 0.221 48 P C 0.794 178.118 177.300 0.040 0.000 1.150 48 P CA 1.648 64.765 63.100 0.027 0.000 0.800 48 P CB 0.223 31.943 31.700 0.033 0.000 0.787 49 G N -0.741 108.084 108.800 0.043 0.000 3.175 49 G HA2 0.511 4.550 3.960 0.131 0.000 0.255 49 G HA3 0.511 4.550 3.960 0.131 0.000 0.255 49 G C -1.392 173.546 174.900 0.063 0.000 1.352 49 G CA -0.512 44.627 45.100 0.065 0.000 1.037 49 G HN -0.046 nan 8.290 nan 0.000 0.556 50 E N -0.605 119.660 120.200 0.108 0.000 2.256 50 E HA 0.527 4.956 4.350 0.131 0.000 0.268 50 E C -1.372 175.337 176.600 0.182 0.000 0.877 50 E CA -0.537 55.939 56.400 0.127 0.000 0.757 50 E CB 2.432 32.308 29.700 0.294 0.000 1.183 50 E HN 0.260 nan 8.360 nan 0.000 0.418 51 T N 2.014 116.606 114.554 0.064 0.000 2.848 51 T HA 0.418 4.846 4.350 0.131 0.000 0.285 51 T C -1.318 173.399 174.700 0.029 0.000 0.995 51 T CA -0.722 61.453 62.100 0.125 0.000 0.970 51 T CB 0.600 69.496 68.868 0.047 0.000 0.976 51 T HN 0.272 nan 8.240 nan 0.000 0.441 52 W N 1.562 122.854 121.300 -0.014 0.000 2.666 52 W HA 0.509 5.245 4.660 0.127 0.000 0.334 52 W C 0.024 176.544 176.519 0.002 0.000 1.051 52 W CA -0.827 56.510 57.345 -0.015 0.000 1.224 52 W CB 0.754 30.194 29.460 -0.033 0.000 1.405 52 W HN 0.681 nan 8.180 nan 0.000 0.513 53 H N 4.240 123.385 119.070 0.126 0.000 2.504 53 H HA 0.610 5.241 4.556 0.125 0.000 0.322 53 H C -0.247 175.115 175.328 0.056 0.000 1.055 53 H CA -0.578 55.516 56.048 0.077 0.000 1.231 53 H CB 0.646 30.451 29.762 0.072 0.000 1.417 53 H HN 0.425 nan 8.280 nan 0.000 0.472 54 M N 3.574 122.915 119.600 -0.431 0.000 2.530 54 M HA 0.635 5.193 4.480 0.131 0.000 0.307 54 M C -1.816 174.079 176.300 -0.675 0.000 1.161 54 M CA -1.272 53.805 55.300 -0.371 0.000 0.903 54 M CB 2.361 34.807 32.600 -0.256 0.000 1.711 54 M HN 0.258 nan 8.290 nan 0.000 0.451 55 V N 2.915 122.579 119.914 -0.417 0.000 2.540 55 V HA 0.638 4.836 4.120 0.131 0.000 0.302 55 V C -1.233 174.755 176.094 -0.177 0.000 1.035 55 V CA -0.396 61.693 62.300 -0.352 0.000 0.873 55 V CB 1.772 33.618 31.823 0.038 0.000 0.992 55 V HN 0.739 nan 8.190 nan 0.000 0.428 56 F N 1.441 121.392 119.950 0.001 0.000 2.522 56 F HA 0.653 5.258 4.527 0.130 0.000 0.324 56 F C 0.670 176.503 175.800 0.054 0.000 1.077 56 F CA -1.326 56.681 58.000 0.013 0.000 0.944 56 F CB 1.846 40.846 39.000 0.001 0.000 1.175 56 F HN 0.494 nan 8.300 nan 0.000 0.468 57 S N -0.931 114.924 115.700 0.258 0.000 2.565 57 S HA 0.464 5.012 4.470 0.131 0.000 0.274 57 S C 0.497 175.249 174.600 0.254 0.000 1.309 57 S CA 0.133 58.443 58.200 0.183 0.000 1.043 57 S CB 1.172 64.441 63.200 0.116 0.000 0.939 57 S HN 0.842 nan 8.310 nan 0.000 0.504 58 T N -2.420 112.242 114.554 0.181 0.000 3.058 58 T HA 0.336 4.765 4.350 0.131 0.000 0.278 58 T C 0.255 174.935 174.700 -0.032 0.000 0.974 58 T CA -0.001 62.133 62.100 0.058 0.000 0.893 58 T CB -0.702 68.136 68.868 -0.050 0.000 1.138 58 T HN 0.782 nan 8.240 nan 0.000 0.529 59 E N 0.759 121.008 120.200 0.080 0.000 3.065 59 E HA -0.255 4.173 4.350 0.131 0.000 0.277 59 E C 1.107 177.716 176.600 0.014 0.000 1.008 59 E CA 0.618 57.059 56.400 0.067 0.000 0.864 59 E CB -1.954 27.825 29.700 0.132 0.000 1.439 59 E HN 1.016 nan 8.360 nan 0.000 0.445 60 G N -0.149 108.641 108.800 -0.017 0.000 2.155 60 G HA2 -0.387 3.651 3.960 0.131 0.000 0.257 60 G HA3 -0.387 3.651 3.960 0.131 0.000 0.257 60 G C 0.482 175.356 174.900 -0.044 0.000 0.983 60 G CA 0.706 45.792 45.100 -0.023 0.000 0.676 60 G HN 0.483 nan 8.290 nan 0.000 0.528 61 E N -0.890 119.237 120.200 -0.122 0.000 2.435 61 E HA 0.162 4.590 4.350 0.131 0.000 0.195 61 E C 0.590 177.205 176.600 0.025 0.000 1.029 61 E CA 0.608 56.967 56.400 -0.068 0.000 0.865 61 E CB 0.379 30.003 29.700 -0.127 0.000 0.833 61 E HN 0.381 nan 8.360 nan 0.000 0.510 62 V N 3.688 123.562 119.914 -0.066 0.000 2.239 62 V HA 0.139 4.337 4.120 0.131 0.000 0.267 62 V C -2.158 174.014 176.094 0.129 0.000 1.056 62 V CA -1.269 61.089 62.300 0.096 0.000 0.830 62 V CB 0.849 32.694 31.823 0.037 0.000 1.090 62 V HN 0.025 nan 8.190 nan 0.000 0.459 63 P HA 0.129 nan 4.420 nan 0.000 0.230 63 P C -0.436 176.858 177.300 -0.010 0.000 1.791 63 P CA -0.104 62.980 63.100 -0.027 0.000 1.020 63 P CB -0.442 31.245 31.700 -0.022 0.000 1.977 64 Y N 1.187 121.489 120.300 0.004 0.000 2.340 64 Y HA 0.612 5.239 4.550 0.129 0.000 0.327 64 Y C 0.588 176.476 175.900 -0.019 0.000 1.321 64 Y CA -1.244 56.857 58.100 0.001 0.000 1.433 64 Y CB 0.780 39.246 38.460 0.010 0.000 1.373 64 Y HN 0.181 nan 8.280 nan 0.000 0.538 65 R N -0.733 119.864 120.500 0.162 0.000 2.817 65 R HA 0.478 4.896 4.340 0.131 0.000 0.268 65 R C -1.386 175.008 176.300 0.158 0.000 1.027 65 R CA -1.155 54.963 56.100 0.030 0.000 0.928 65 R CB 0.976 31.238 30.300 -0.063 0.000 1.228 65 R HN 0.564 nan 8.270 nan 0.000 0.469 66 E N 0.282 120.513 120.200 0.052 0.000 2.608 66 E HA 0.166 4.594 4.350 0.131 0.000 0.259 66 E C 0.973 177.687 176.600 0.191 0.000 0.951 66 E CA 2.209 58.672 56.400 0.105 0.000 0.945 66 E CB 0.221 29.874 29.700 -0.079 0.000 0.916 66 E HN 0.883 nan 8.360 nan 0.000 0.477 67 G N 2.306 111.275 108.800 0.282 0.000 2.234 67 G HA2 -0.303 3.736 3.960 0.131 0.000 0.235 67 G HA3 -0.303 3.736 3.960 0.131 0.000 0.235 67 G C 0.293 175.268 174.900 0.125 0.000 0.997 67 G CA 0.078 45.334 45.100 0.261 0.000 0.623 67 G HN 0.469 nan 8.290 nan 0.000 0.514 68 Q N 0.278 120.144 119.800 0.110 0.000 2.316 68 Q HA 0.694 5.112 4.340 0.131 0.000 0.215 68 Q C -0.057 175.951 176.000 0.014 0.000 1.020 68 Q CA 0.154 56.002 55.803 0.076 0.000 0.970 68 Q CB 1.191 29.995 28.738 0.110 0.000 1.187 68 Q HN 0.312 nan 8.270 nan 0.000 0.546 69 S N -0.048 115.656 115.700 0.007 0.000 2.671 69 S HA 0.727 5.275 4.470 0.131 0.000 0.299 69 S C -0.648 173.950 174.600 -0.003 0.000 1.116 69 S CA -0.785 57.402 58.200 -0.022 0.000 0.912 69 S CB 1.098 64.280 63.200 -0.030 0.000 1.130 69 S HN 0.541 nan 8.310 nan 0.000 0.501 70 I N -1.507 119.071 120.570 0.013 0.000 2.828 70 I HA 0.913 5.161 4.170 0.131 0.000 0.302 70 I C 0.020 176.198 176.117 0.101 0.000 1.101 70 I CA -1.158 60.175 61.300 0.055 0.000 1.031 70 I CB 1.748 39.776 38.000 0.046 0.000 1.231 70 I HN 0.675 nan 8.210 nan 0.000 0.427 71 G N 4.572 113.434 108.800 0.104 0.000 2.412 71 G HA2 0.680 4.719 3.960 0.131 0.000 0.318 71 G HA3 0.680 4.719 3.960 0.131 0.000 0.318 71 G C -0.715 174.270 174.900 0.142 0.000 1.146 71 G CA -0.568 44.599 45.100 0.113 0.000 0.882 71 G HN 0.454 nan 8.290 nan 0.000 0.501 72 I N 1.503 122.180 120.570 0.179 0.000 2.466 72 I HA 0.220 4.468 4.170 0.131 0.000 0.289 72 I C -0.436 175.733 176.117 0.087 0.000 1.026 72 I CA -0.778 60.607 61.300 0.140 0.000 1.078 72 I CB 1.831 39.942 38.000 0.186 0.000 1.249 72 I HN 0.068 nan 8.210 nan 0.000 0.429 73 V N 8.595 128.518 119.914 0.016 0.000 2.304 73 V HA 0.246 4.445 4.120 0.131 0.000 0.269 73 V C -1.872 174.127 176.094 -0.159 0.000 1.036 73 V CA -1.450 60.831 62.300 -0.031 0.000 0.840 73 V CB 1.084 32.889 31.823 -0.030 0.000 1.036 73 V HN 0.558 nan 8.190 nan 0.000 0.466 74 P HA 0.133 nan 4.420 nan 0.000 0.269 74 P C -0.431 176.430 177.300 -0.731 0.000 1.209 74 P CA -0.310 62.315 63.100 -0.791 0.000 0.776 74 P CB 0.947 32.316 31.700 -0.552 0.000 0.876 75 D N 0.499 120.145 120.400 -1.258 0.000 2.378 75 D HA 0.393 5.111 4.640 0.131 0.000 0.238 75 D C 1.227 177.394 176.300 -0.223 0.000 1.180 75 D CA 1.409 55.090 54.000 -0.531 0.000 0.895 75 D CB 0.091 40.677 40.800 -0.357 0.000 1.192 75 D HN 0.736 nan 8.370 nan 0.000 0.438 76 G N -0.752 107.984 108.800 -0.106 0.000 2.409 76 G HA2 0.086 4.125 3.960 0.131 0.000 0.421 76 G HA3 0.086 4.125 3.960 0.131 0.000 0.421 76 G C -0.955 173.805 174.900 -0.232 0.000 1.259 76 G CA -0.343 44.724 45.100 -0.055 0.000 1.011 76 G HN 0.736 nan 8.290 nan 0.000 0.497 77 I N -1.880 118.487 120.570 -0.338 0.000 2.828 77 I HA 0.765 5.013 4.170 0.131 0.000 0.302 77 I C -0.252 175.503 176.117 -0.603 0.000 1.101 77 I CA -1.103 59.924 61.300 -0.454 0.000 1.031 77 I CB 2.293 40.167 38.000 -0.209 0.000 1.231 77 I HN 0.777 nan 8.210 nan 0.000 0.427 78 D N 3.347 123.452 120.400 -0.492 0.000 2.478 78 D HA 0.136 4.854 4.640 0.131 0.000 0.269 78 D C 0.877 177.116 176.300 -0.102 0.000 1.232 78 D CA -0.613 53.245 54.000 -0.236 0.000 1.059 78 D CB 0.614 41.343 40.800 -0.119 0.000 1.104 78 D HN 0.779 nan 8.370 nan 0.000 0.566 79 K N -0.875 119.507 120.400 -0.030 0.000 2.360 79 K HA -0.123 4.276 4.320 0.131 0.000 0.201 79 K C 0.352 176.934 176.600 -0.030 0.000 1.046 79 K CA 0.946 57.222 56.287 -0.018 0.000 0.940 79 K CB -0.395 32.107 32.500 0.003 0.000 0.748 79 K HN 0.197 nan 8.250 nan 0.000 0.465 80 N N 0.401 119.076 118.700 -0.043 0.000 2.230 80 N HA 0.064 4.882 4.740 0.131 0.000 0.202 80 N C 0.525 176.003 175.510 -0.054 0.000 1.119 80 N CA 0.759 53.785 53.050 -0.040 0.000 0.851 80 N CB 1.272 39.740 38.487 -0.032 0.000 0.990 80 N HN 0.525 nan 8.380 nan 0.000 0.497 81 G N 1.125 109.879 108.800 -0.077 0.000 2.148 81 G HA2 -0.296 3.742 3.960 0.131 0.000 0.254 81 G HA3 -0.296 3.742 3.960 0.131 0.000 0.254 81 G C 0.093 174.932 174.900 -0.101 0.000 0.981 81 G CA 0.277 45.326 45.100 -0.086 0.000 0.670 81 G HN 0.316 nan 8.290 nan 0.000 0.528 82 K N 0.287 120.619 120.400 -0.113 0.000 2.168 82 K HA 0.539 4.937 4.320 0.131 0.000 0.239 82 K C -2.534 173.968 176.600 -0.165 0.000 0.999 82 K CA -2.209 54.014 56.287 -0.108 0.000 0.900 82 K CB 1.076 33.532 32.500 -0.074 0.000 1.111 82 K HN -0.050 nan 8.250 nan 0.000 0.452 83 P HA -0.031 nan 4.420 nan 0.000 0.269 83 P C -0.770 176.452 177.300 -0.130 0.000 1.209 83 P CA 0.194 63.209 63.100 -0.142 0.000 0.776 83 P CB 0.379 32.034 31.700 -0.075 0.000 0.876 84 H N 1.609 120.635 119.070 -0.074 0.000 2.771 84 H HA 0.093 4.727 4.556 0.131 0.000 0.364 84 H C 0.754 176.056 175.328 -0.044 0.000 1.133 84 H CA 0.370 56.381 56.048 -0.061 0.000 1.423 84 H CB 0.599 30.308 29.762 -0.089 0.000 1.425 84 H HN 0.208 nan 8.280 nan 0.000 0.606 85 K N 2.019 122.494 120.400 0.125 0.000 2.258 85 K HA 0.067 4.466 4.320 0.131 0.000 0.264 85 K C -0.299 176.332 176.600 0.052 0.000 1.007 85 K CA -0.601 55.722 56.287 0.061 0.000 0.941 85 K CB 0.145 32.673 32.500 0.046 0.000 0.966 85 K HN 0.453 nan 8.250 nan 0.000 0.480 86 L N 0.986 122.231 121.223 0.036 0.000 2.452 86 L HA 0.475 4.893 4.340 0.131 0.000 0.267 86 L C -0.186 176.698 176.870 0.023 0.000 1.188 86 L CA 0.001 54.864 54.840 0.039 0.000 0.821 86 L CB 0.319 42.404 42.059 0.042 0.000 1.102 86 L HN 0.352 nan 8.230 nan 0.000 0.470 87 R N 2.155 122.684 120.500 0.047 0.000 2.670 87 R HA 0.726 5.145 4.340 0.131 0.000 0.289 87 R C -1.031 175.198 176.300 -0.118 0.000 0.965 87 R CA -0.557 55.518 56.100 -0.042 0.000 0.899 87 R CB 1.599 31.930 30.300 0.051 0.000 1.173 87 R HN 0.733 nan 8.270 nan 0.000 0.456 88 L N 3.270 124.288 121.223 -0.341 0.000 2.357 88 L HA 0.501 4.919 4.340 0.131 0.000 0.273 88 L C -0.833 175.586 176.870 -0.752 0.000 1.080 88 L CA -0.529 54.114 54.840 -0.329 0.000 0.803 88 L CB 0.696 42.619 42.059 -0.225 0.000 1.174 88 L HN 0.536 nan 8.230 nan 0.000 0.443 89 Y N 0.101 120.332 120.300 -0.115 0.000 2.386 89 Y HA 0.239 4.867 4.550 0.131 0.000 0.334 89 Y C 0.175 175.992 175.900 -0.138 0.000 1.002 89 Y CA -0.725 57.288 58.100 -0.146 0.000 1.068 89 Y CB 2.138 40.546 38.460 -0.087 0.000 1.203 89 Y HN 0.444 nan 8.280 nan 0.000 0.443 90 S N 3.877 119.543 115.700 -0.058 0.000 2.533 90 S HA 0.280 4.829 4.470 0.131 0.000 0.282 90 S C 0.115 174.671 174.600 -0.074 0.000 1.304 90 S CA -0.407 57.752 58.200 -0.070 0.000 1.063 90 S CB 0.005 63.152 63.200 -0.088 0.000 0.881 90 S HN 0.422 nan 8.310 nan 0.000 0.493 91 I N 2.678 123.174 120.570 -0.123 0.000 2.533 91 I HA 0.075 4.324 4.170 0.131 0.000 0.284 91 I C 1.177 177.190 176.117 -0.174 0.000 1.109 91 I CA -0.189 60.982 61.300 -0.214 0.000 1.412 91 I CB 0.710 38.484 38.000 -0.376 0.000 1.396 91 I HN 0.797 nan 8.210 nan 0.000 0.543 92 A N 4.766 127.469 122.820 -0.196 0.000 2.238 92 A HA 0.099 4.498 4.320 0.131 0.000 0.210 92 A C 0.957 178.369 177.584 -0.287 0.000 1.179 92 A CA 0.156 52.075 52.037 -0.196 0.000 0.827 92 A CB -0.188 18.735 19.000 -0.129 0.000 0.856 92 A HN 0.719 nan 8.150 nan 0.000 0.488 93 S N 0.001 115.547 115.700 -0.257 0.000 2.651 93 S HA 0.581 5.129 4.470 0.131 0.000 0.291 93 S C 0.339 174.917 174.600 -0.037 0.000 1.141 93 S CA 0.045 58.081 58.200 -0.274 0.000 1.027 93 S CB 1.338 64.422 63.200 -0.193 0.000 1.043 93 S HN 0.696 nan 8.310 nan 0.000 0.530 94 S N 1.109 116.796 115.700 -0.020 0.000 2.617 94 S HA 0.511 5.059 4.470 0.131 0.000 0.259 94 S C 1.520 176.217 174.600 0.162 0.000 1.301 94 S CA -0.364 57.907 58.200 0.120 0.000 0.984 94 S CB -0.029 63.286 63.200 0.191 0.000 0.954 94 S HN 1.355 nan 8.310 nan 0.000 0.572 95 A N 1.001 123.825 122.820 0.006 0.000 1.940 95 A HA -0.069 4.329 4.320 0.131 0.000 0.219 95 A C 2.107 179.524 177.584 -0.278 0.000 1.176 95 A CA 1.744 53.599 52.037 -0.304 0.000 0.631 95 A CB -1.254 17.576 19.000 -0.283 0.000 0.814 95 A HN 1.121 nan 8.150 nan 0.000 0.446 96 I N -3.699 116.849 120.570 -0.036 0.000 3.564 96 I HA 0.421 4.669 4.170 0.131 0.000 0.294 96 I C 0.974 177.146 176.117 0.092 0.000 1.289 96 I CA 0.307 61.626 61.300 0.031 0.000 1.325 96 I CB -1.003 37.070 38.000 0.121 0.000 1.039 96 I HN 0.465 nan 8.210 nan 0.000 0.474 97 G N 1.954 110.823 108.800 0.115 0.000 2.814 97 G HA2 -0.241 3.797 3.960 0.131 0.000 0.677 97 G HA3 -0.241 3.797 3.960 0.131 0.000 0.677 97 G C -0.148 174.778 174.900 0.043 0.000 1.429 97 G CA 0.018 45.190 45.100 0.120 0.000 0.868 97 G HN 0.304 nan 8.290 nan 0.000 0.553 98 D N -0.356 119.971 120.400 -0.121 0.000 2.221 98 D HA -0.046 4.673 4.640 0.131 0.000 0.204 98 D C 1.963 178.117 176.300 -0.243 0.000 0.982 98 D CA 1.529 55.330 54.000 -0.331 0.000 0.857 98 D CB -0.118 40.365 40.800 -0.528 0.000 0.934 98 D HN 0.348 nan 8.370 nan 0.000 0.475 99 F N -0.427 119.597 119.950 0.124 0.000 2.693 99 F HA 0.287 4.841 4.527 0.045 0.000 0.303 99 F C 1.869 177.737 175.800 0.114 0.000 1.097 99 F CA 0.023 58.096 58.000 0.122 0.000 1.330 99 F CB 0.157 39.207 39.000 0.084 0.000 1.067 99 F HN -0.055 nan 8.300 nan 0.000 0.565 100 G N 1.259 110.197 108.800 0.229 0.000 2.212 100 G HA2 -0.394 3.645 3.960 0.131 0.000 0.267 100 G HA3 -0.394 3.645 3.960 0.131 0.000 0.267 100 G C 0.570 175.555 174.900 0.142 0.000 1.002 100 G CA 0.995 46.201 45.100 0.177 0.000 0.729 100 G HN 0.525 nan 8.290 nan 0.000 0.517 101 D N -1.728 118.765 120.400 0.155 0.000 2.398 101 D HA 0.348 5.066 4.640 0.131 0.000 0.210 101 D C 1.180 177.525 176.300 0.076 0.000 1.094 101 D CA 0.501 54.565 54.000 0.107 0.000 0.839 101 D CB -0.222 40.642 40.800 0.107 0.000 0.963 101 D HN 0.424 nan 8.370 nan 0.000 0.506 102 S N -0.541 115.202 115.700 0.072 0.000 3.521 102 S HA -0.211 4.337 4.470 0.131 0.000 0.328 102 S C 0.731 175.352 174.600 0.035 0.000 1.165 102 S CA 0.873 59.084 58.200 0.018 0.000 0.941 102 S CB -1.461 61.727 63.200 -0.019 0.000 0.951 102 S HN 0.556 nan 8.310 nan 0.000 0.539 103 K N 0.507 120.955 120.400 0.081 0.000 2.469 103 K HA 0.163 4.562 4.320 0.131 0.000 0.204 103 K C 0.488 177.158 176.600 0.117 0.000 1.047 103 K CA 0.614 56.949 56.287 0.079 0.000 1.072 103 K CB 1.085 33.623 32.500 0.062 0.000 0.863 103 K HN 0.624 nan 8.250 nan 0.000 0.530 104 T N -3.200 111.453 114.554 0.165 0.000 2.864 104 T HA 0.571 4.999 4.350 0.131 0.000 0.299 104 T C -1.234 173.594 174.700 0.214 0.000 1.166 104 T CA -0.795 61.418 62.100 0.189 0.000 1.007 104 T CB 2.134 71.144 68.868 0.238 0.000 1.219 104 T HN -0.142 nan 8.240 nan 0.000 0.506 105 V N 0.543 120.522 119.914 0.108 0.000 2.888 105 V HA 0.779 4.977 4.120 0.131 0.000 0.309 105 V C -1.228 174.702 176.094 -0.274 0.000 1.114 105 V CA -0.368 61.904 62.300 -0.047 0.000 0.940 105 V CB 2.409 34.163 31.823 -0.116 0.000 1.021 105 V HN 1.251 nan 8.190 nan 0.000 0.426 106 S N 6.231 121.716 115.700 -0.357 0.000 2.536 106 S HA 0.812 5.361 4.470 0.131 0.000 0.298 106 S C -0.964 173.337 174.600 -0.498 0.000 1.083 106 S CA -0.594 57.292 58.200 -0.523 0.000 0.995 106 S CB 1.667 64.596 63.200 -0.452 0.000 1.058 106 S HN 0.667 nan 8.310 nan 0.000 0.488 107 L N 1.065 121.940 121.223 -0.580 0.000 2.333 107 L HA 0.656 5.075 4.340 0.131 0.000 0.263 107 L C -0.852 175.881 176.870 -0.227 0.000 1.014 107 L CA -0.813 53.824 54.840 -0.339 0.000 0.820 107 L CB 1.974 43.841 42.059 -0.320 0.000 1.352 107 L HN 0.729 nan 8.230 nan 0.000 0.421 108 C N 2.971 122.259 119.300 -0.020 0.000 2.335 108 C HA 0.720 5.258 4.460 0.131 0.000 0.318 108 C C -0.447 174.619 174.990 0.126 0.000 1.150 108 C CA -0.333 58.766 59.018 0.134 0.000 1.466 108 C CB 0.024 27.936 27.740 0.287 0.000 2.024 108 C HN 0.494 nan 8.230 nan 0.000 0.429 109 V N 6.477 126.454 119.914 0.105 0.000 2.448 109 V HA 0.471 4.670 4.120 0.131 0.000 0.295 109 V C -0.068 176.135 176.094 0.181 0.000 1.025 109 V CA -0.567 61.802 62.300 0.116 0.000 0.859 109 V CB 1.686 33.480 31.823 -0.048 0.000 0.988 109 V HN 0.792 nan 8.190 nan 0.000 0.431 110 K N 4.263 124.780 120.400 0.196 0.000 2.183 110 K HA 0.454 4.853 4.320 0.131 0.000 0.274 110 K C 0.086 176.793 176.600 0.178 0.000 1.009 110 K CA -0.724 55.679 56.287 0.194 0.000 0.888 110 K CB 1.000 33.608 32.500 0.181 0.000 1.078 110 K HN 0.641 nan 8.250 nan 0.000 0.459 111 R N 3.904 124.512 120.500 0.179 0.000 2.421 111 R HA 0.043 4.462 4.340 0.131 0.000 0.305 111 R C -0.637 175.745 176.300 0.136 0.000 1.039 111 R CA -0.294 55.885 56.100 0.132 0.000 1.003 111 R CB 0.234 30.616 30.300 0.135 0.000 0.959 111 R HN 0.436 nan 8.270 nan 0.000 0.427 112 L N 5.545 126.852 121.223 0.139 0.000 2.295 112 L HA 0.425 4.844 4.340 0.131 0.000 0.285 112 L C -1.268 175.706 176.870 0.172 0.000 1.035 112 L CA -0.287 54.656 54.840 0.172 0.000 0.806 112 L CB 1.857 44.038 42.059 0.202 0.000 1.214 112 L HN 0.322 nan 8.230 nan 0.000 0.426 113 V N 6.451 126.472 119.914 0.178 0.000 2.623 113 V HA 0.564 4.762 4.120 0.131 0.000 0.304 113 V C -0.981 175.224 176.094 0.184 0.000 1.054 113 V CA -0.473 61.890 62.300 0.106 0.000 0.882 113 V CB 1.386 33.241 31.823 0.053 0.000 1.002 113 V HN 0.821 nan 8.190 nan 0.000 0.424 123 K N 1.947 122.220 120.400 -0.211 0.000 2.258 123 K HA 0.655 5.054 4.320 0.131 0.000 0.284 123 K C 0.407 176.990 176.600 -0.029 0.000 1.051 123 K CA 0.322 56.554 56.287 -0.091 0.000 0.923 123 K CB 1.276 33.750 32.500 -0.043 0.000 1.046 123 K HN 1.623 nan 8.250 nan 0.000 0.474 124 G N 2.704 111.551 108.800 0.079 0.000 2.340 124 G HA2 0.080 4.119 3.960 0.131 0.000 0.245 124 G HA3 0.080 4.119 3.960 0.131 0.000 0.245 124 G C 0.917 175.859 174.900 0.070 0.000 1.294 124 G CA -0.747 44.450 45.100 0.161 0.000 0.896 124 G HN 0.514 nan 8.290 nan 0.000 0.522 125 V N 2.483 122.411 119.914 0.024 0.000 2.223 125 V HA -0.233 3.965 4.120 0.131 0.000 0.244 125 V C 2.906 178.980 176.094 -0.033 0.000 1.045 125 V CA 2.148 64.400 62.300 -0.079 0.000 1.000 125 V CB -0.902 30.743 31.823 -0.297 0.000 0.635 125 V HN 0.872 nan 8.190 nan 0.000 0.445 126 C N 0.697 119.997 119.300 0.000 0.000 2.446 126 C HA -0.099 4.439 4.460 0.131 0.000 0.277 126 C C 3.397 178.481 174.990 0.157 0.000 1.275 126 C CA 1.267 60.353 59.018 0.114 0.000 1.727 126 C CB -1.040 26.806 27.740 0.177 0.000 2.010 126 C HN 0.804 nan 8.230 nan 0.000 0.486 127 S N 0.929 116.719 115.700 0.151 0.000 2.368 127 S HA -0.168 4.381 4.470 0.131 0.000 0.225 127 S C 1.638 176.239 174.600 0.002 0.000 1.030 127 S CA 1.772 60.030 58.200 0.097 0.000 0.999 127 S CB -0.742 62.549 63.200 0.152 0.000 0.844 127 S HN 0.731 nan 8.310 nan 0.000 0.459 128 N N 0.617 119.329 118.700 0.020 0.000 2.270 128 N HA 0.018 4.836 4.740 0.131 0.000 0.181 128 N C 1.443 176.914 175.510 -0.065 0.000 1.016 128 N CA 1.163 54.189 53.050 -0.039 0.000 0.870 128 N CB -0.404 38.080 38.487 -0.006 0.000 0.979 128 N HN 0.548 nan 8.380 nan 0.000 0.431 129 F N 2.235 122.110 119.950 -0.125 0.000 2.134 129 F HA -0.047 4.559 4.527 0.131 0.000 0.299 129 F C 2.069 177.769 175.800 -0.167 0.000 1.097 129 F CA 1.012 58.932 58.000 -0.133 0.000 1.264 129 F CB -0.465 38.465 39.000 -0.116 0.000 1.001 129 F HN -0.115 nan 8.300 nan 0.000 0.479 130 L N -0.609 120.400 121.223 -0.357 0.000 2.027 130 L HA -0.255 4.164 4.340 0.131 0.000 0.206 130 L C 2.575 179.172 176.870 -0.455 0.000 1.074 130 L CA 1.384 55.950 54.840 -0.456 0.000 0.745 130 L CB -0.999 40.891 42.059 -0.281 0.000 0.898 130 L HN 0.237 nan 8.230 nan 0.000 0.433 131 C N -0.270 118.756 119.300 -0.458 0.000 2.437 131 C HA -0.107 4.431 4.460 0.131 0.000 0.283 131 C C 2.030 176.472 174.990 -0.914 0.000 1.424 131 C CA 0.316 58.855 59.018 -0.798 0.000 1.782 131 C CB -0.912 26.319 27.740 -0.848 0.000 1.833 131 C HN 0.510 nan 8.230 nan 0.000 0.532 132 D N 0.426 120.472 120.400 -0.590 0.000 2.348 132 D HA 0.123 4.842 4.640 0.131 0.000 0.211 132 D C 0.719 176.770 176.300 -0.416 0.000 0.998 132 D CA 0.182 53.904 54.000 -0.463 0.000 0.873 132 D CB -0.163 40.462 40.800 -0.290 0.000 0.925 132 D HN 0.437 nan 8.370 nan 0.000 0.524 133 L N 1.593 122.524 121.223 -0.488 0.000 2.540 133 L HA -0.041 4.378 4.340 0.131 0.000 0.276 133 L C 0.743 177.482 176.870 -0.219 0.000 1.212 133 L CA 0.487 55.093 54.840 -0.389 0.000 0.893 133 L CB 0.389 42.212 42.059 -0.393 0.000 1.138 133 L HN -0.301 nan 8.230 nan 0.000 0.491 134 K N 4.130 124.440 120.400 -0.150 0.000 2.156 134 K HA 0.457 4.855 4.320 0.131 0.000 0.254 134 K C -2.351 174.227 176.600 -0.037 0.000 0.950 134 K CA -2.342 53.901 56.287 -0.072 0.000 0.849 134 K CB 1.222 33.687 32.500 -0.058 0.000 1.100 134 K HN 0.151 nan 8.250 nan 0.000 0.434 135 P HA 0.007 nan 4.420 nan 0.000 0.261 135 P C 0.646 177.945 177.300 -0.003 0.000 1.183 135 P CA 1.013 64.123 63.100 0.016 0.000 0.761 135 P CB 0.354 32.072 31.700 0.030 0.000 0.785 136 G N 1.708 110.505 108.800 -0.005 0.000 2.259 136 G HA2 -0.199 3.840 3.960 0.131 0.000 0.217 136 G HA3 -0.199 3.840 3.960 0.131 0.000 0.217 136 G C 0.390 175.269 174.900 -0.034 0.000 1.001 136 G CA -0.219 44.871 45.100 -0.017 0.000 0.627 136 G HN 0.556 nan 8.290 nan 0.000 0.501 137 S N 1.312 116.983 115.700 -0.049 0.000 2.601 137 S HA 0.506 5.054 4.470 0.131 0.000 0.271 137 S C 0.230 174.773 174.600 -0.095 0.000 1.305 137 S CA -0.377 57.782 58.200 -0.068 0.000 1.022 137 S CB 1.359 64.508 63.200 -0.084 0.000 0.940 137 S HN 0.475 nan 8.310 nan 0.000 0.525 138 E N 0.628 120.775 120.200 -0.088 0.000 2.343 138 E HA 0.467 4.896 4.350 0.131 0.000 0.269 138 E C -0.873 175.647 176.600 -0.133 0.000 1.047 138 E CA -0.446 55.879 56.400 -0.126 0.000 0.874 138 E CB 1.337 30.970 29.700 -0.112 0.000 1.033 138 E HN 0.247 nan 8.360 nan 0.000 0.409 139 V N 2.404 122.178 119.914 -0.234 0.000 2.686 139 V HA 0.241 4.440 4.120 0.131 0.000 0.306 139 V C -1.442 174.509 176.094 -0.239 0.000 1.065 139 V CA -0.812 61.341 62.300 -0.244 0.000 0.894 139 V CB 1.752 33.189 31.823 -0.643 0.000 1.004 139 V HN 0.557 nan 8.190 nan 0.000 0.424 140 K N 7.136 127.451 120.400 -0.142 0.000 2.285 140 K HA 0.578 4.976 4.320 0.131 0.000 0.286 140 K C -0.857 175.693 176.600 -0.084 0.000 1.072 140 K CA -0.096 56.112 56.287 -0.132 0.000 0.913 140 K CB 1.224 33.665 32.500 -0.097 0.000 1.067 140 K HN 0.578 nan 8.250 nan 0.000 0.479 141 I N 2.370 122.896 120.570 -0.073 0.000 2.441 141 I HA 0.230 4.478 4.170 0.131 0.000 0.295 141 I C 0.396 176.542 176.117 0.047 0.000 0.994 141 I CA -0.620 60.686 61.300 0.010 0.000 1.144 141 I CB 2.072 40.112 38.000 0.067 0.000 1.314 141 I HN 0.649 nan 8.210 nan 0.000 0.445 142 T N 1.440 116.056 114.554 0.102 0.000 2.930 142 T HA 0.937 5.366 4.350 0.131 0.000 0.290 142 T C -0.007 174.800 174.700 0.178 0.000 1.052 142 T CA -0.160 62.041 62.100 0.170 0.000 1.017 142 T CB 2.133 71.079 68.868 0.131 0.000 1.137 142 T HN 1.175 nan 8.240 nan 0.000 0.511 143 G N 1.329 110.259 108.800 0.217 0.000 2.378 143 G HA2 0.143 4.182 3.960 0.131 0.000 0.198 143 G HA3 0.143 4.182 3.960 0.131 0.000 0.198 143 G C -3.146 171.883 174.900 0.214 0.000 1.223 143 G CA -0.639 44.563 45.100 0.171 0.000 1.088 143 G HN 0.853 nan 8.290 nan 0.000 0.530 144 P HA 0.485 nan 4.420 nan 0.000 0.271 144 P C -0.316 177.040 177.300 0.094 0.000 1.233 144 P CA -0.266 62.913 63.100 0.132 0.000 0.789 144 P CB 0.990 32.784 31.700 0.157 0.000 0.951 145 V N 0.376 120.334 119.914 0.072 0.000 2.789 145 V HA 0.822 5.020 4.120 0.131 0.000 0.311 145 V C 0.197 176.321 176.094 0.050 0.000 1.073 145 V CA 0.044 62.376 62.300 0.054 0.000 0.921 145 V CB 1.174 33.020 31.823 0.040 0.000 1.009 145 V HN 0.977 nan 8.190 nan 0.000 0.426 146 G N 3.524 112.354 108.800 0.049 0.000 2.712 146 G HA2 -0.072 3.967 3.960 0.131 0.000 0.686 146 G HA3 -0.072 3.967 3.960 0.131 0.000 0.686 146 G C -0.441 174.499 174.900 0.066 0.000 1.181 146 G CA -0.010 45.123 45.100 0.056 0.000 0.762 146 G HN 0.770 nan 8.290 nan 0.000 0.641 147 K N 0.083 120.526 120.400 0.072 0.000 2.588 147 K HA 0.134 4.532 4.320 0.131 0.000 0.216 147 K C 1.488 178.151 176.600 0.105 0.000 1.382 147 K CA -0.180 56.154 56.287 0.078 0.000 1.008 147 K CB 0.659 33.194 32.500 0.058 0.000 1.138 147 K HN 0.338 nan 8.250 nan 0.000 0.619 148 E N 0.851 121.117 120.200 0.110 0.000 2.106 148 E HA -0.020 4.408 4.350 0.131 0.000 0.192 148 E C 1.085 177.812 176.600 0.212 0.000 0.984 148 E CA 1.094 57.573 56.400 0.132 0.000 0.806 148 E CB 0.255 30.019 29.700 0.107 0.000 0.750 148 E HN 0.183 nan 8.360 nan 0.000 0.458 149 M N 0.861 120.609 119.600 0.247 0.000 2.637 149 M HA 0.207 4.766 4.480 0.131 0.000 0.286 149 M C 0.260 176.849 176.300 0.482 0.000 1.246 149 M CA -0.214 55.333 55.300 0.412 0.000 0.978 149 M CB -0.364 32.390 32.600 0.258 0.000 1.417 149 M HN -0.111 nan 8.290 nan 0.000 0.487 150 L N 0.603 122.025 121.223 0.330 0.000 2.473 150 L HA 0.223 4.642 4.340 0.131 0.000 0.268 150 L C 0.742 177.670 176.870 0.098 0.000 1.215 150 L CA -0.035 54.904 54.840 0.165 0.000 0.823 150 L CB 0.391 42.493 42.059 0.071 0.000 1.099 150 L HN 0.231 nan 8.230 nan 0.000 0.483 151 M N 2.061 121.454 119.600 -0.345 0.000 2.226 151 M HA 0.233 4.792 4.480 0.131 0.000 0.324 151 M C -2.188 173.917 176.300 -0.326 0.000 1.112 151 M CA -1.421 53.487 55.300 -0.654 0.000 1.176 151 M CB 0.317 32.308 32.600 -1.015 0.000 1.430 151 M HN 0.244 nan 8.290 nan 0.000 0.462 152 P HA 0.126 nan 4.420 nan 0.000 0.275 152 P C -0.464 176.686 177.300 -0.250 0.000 1.228 152 P CA -0.088 62.728 63.100 -0.473 0.000 0.786 152 P CB 0.643 31.802 31.700 -0.902 0.000 0.927 153 K N 0.642 120.941 120.400 -0.167 0.000 2.062 153 K HA -0.090 4.308 4.320 0.131 0.000 0.205 153 K C 0.555 177.180 176.600 0.042 0.000 1.051 153 K CA 0.901 57.158 56.287 -0.049 0.000 0.941 153 K CB -0.317 32.170 32.500 -0.022 0.000 0.719 153 K HN 0.536 nan 8.250 nan 0.000 0.440 154 D N 2.004 122.414 120.400 0.015 0.000 2.402 154 D HA -0.038 4.680 4.640 0.131 0.000 0.268 154 D C -1.543 174.822 176.300 0.109 0.000 1.294 154 D CA -1.513 52.527 54.000 0.067 0.000 0.945 154 D CB 1.000 41.862 40.800 0.103 0.000 1.112 154 D HN 0.037 nan 8.370 nan 0.000 0.517 155 P HA -0.080 nan 4.420 nan 0.000 0.234 155 P C -0.166 177.036 177.300 -0.162 0.000 1.167 155 P CA 0.745 63.818 63.100 -0.045 0.000 0.763 155 P CB 0.227 31.783 31.700 -0.239 0.000 0.835 156 N N -0.671 117.970 118.700 -0.099 0.000 2.234 156 N HA 0.262 5.080 4.740 0.131 0.000 0.227 156 N C 0.314 175.808 175.510 -0.027 0.000 1.151 156 N CA -0.446 52.501 53.050 -0.171 0.000 0.865 156 N CB 0.480 38.901 38.487 -0.109 0.000 1.066 156 N HN 0.072 nan 8.380 nan 0.000 0.515 157 A N 0.427 123.323 122.820 0.127 0.000 2.313 157 A HA 0.379 4.777 4.320 0.131 0.000 0.261 157 A C 0.343 178.146 177.584 0.365 0.000 1.090 157 A CA 0.134 52.343 52.037 0.287 0.000 0.807 157 A CB 0.376 19.588 19.000 0.353 0.000 1.055 157 A HN 0.071 nan 8.150 nan 0.000 0.492 158 T N 1.205 115.996 114.554 0.395 0.000 2.743 158 T HA 0.473 4.902 4.350 0.131 0.000 0.293 158 T C -0.513 174.476 174.700 0.481 0.000 0.945 158 T CA -0.085 62.254 62.100 0.398 0.000 1.030 158 T CB 0.534 69.585 68.868 0.304 0.000 0.912 158 T HN 0.403 nan 8.240 nan 0.000 0.483 159 V N 6.028 126.227 119.914 0.476 0.000 2.326 159 V HA 0.426 4.625 4.120 0.131 0.000 0.281 159 V C -0.038 176.265 176.094 0.348 0.000 1.015 159 V CA -0.763 61.799 62.300 0.437 0.000 0.823 159 V CB 0.926 32.943 31.823 0.323 0.000 1.009 159 V HN 0.806 nan 8.190 nan 0.000 0.436 160 I N 5.911 126.660 120.570 0.299 0.000 2.315 160 I HA 0.470 4.718 4.170 0.131 0.000 0.291 160 I C -0.152 175.955 176.117 -0.016 0.000 1.006 160 I CA -0.141 61.255 61.300 0.161 0.000 1.265 160 I CB 1.421 39.472 38.000 0.086 0.000 1.387 160 I HN 0.459 nan 8.210 nan 0.000 0.475 161 M N 7.690 127.169 119.600 -0.202 0.000 2.181 161 M HA 0.492 5.050 4.480 0.131 0.000 0.323 161 M C -1.093 174.882 176.300 -0.543 0.000 1.004 161 M CA -0.346 54.488 55.300 -0.777 0.000 0.941 161 M CB 1.838 33.630 32.600 -1.347 0.000 1.579 161 M HN 0.354 nan 8.290 nan 0.000 0.427 162 L N 3.081 124.058 121.223 -0.411 0.000 2.316 162 L HA 0.866 5.284 4.340 0.131 0.000 0.280 162 L C 0.169 177.151 176.870 0.187 0.000 1.006 162 L CA -0.606 54.185 54.840 -0.082 0.000 0.836 162 L CB 1.359 43.340 42.059 -0.130 0.000 1.221 162 L HN 0.829 nan 8.230 nan 0.000 0.418 163 G N 0.942 109.907 108.800 0.276 0.000 2.574 163 G HA2 0.751 4.790 3.960 0.131 0.000 0.299 163 G HA3 0.751 4.790 3.960 0.131 0.000 0.299 163 G C -0.924 174.115 174.900 0.231 0.000 1.298 163 G CA -0.468 44.848 45.100 0.360 0.000 0.952 163 G HN 0.405 nan 8.290 nan 0.000 0.477 164 T N -1.699 112.956 114.554 0.169 0.000 2.881 164 T HA 0.709 5.137 4.350 0.131 0.000 0.290 164 T C 0.948 175.728 174.700 0.134 0.000 1.000 164 T CA 0.534 62.720 62.100 0.143 0.000 0.978 164 T CB 1.382 70.307 68.868 0.094 0.000 0.997 164 T HN 2.390 nan 8.240 nan 0.000 0.443 165 G N 3.125 112.017 108.800 0.152 0.000 2.634 165 G HA2 -0.386 3.652 3.960 0.131 0.000 0.309 165 G HA3 -0.386 3.652 3.960 0.131 0.000 0.309 165 G C 1.182 176.195 174.900 0.188 0.000 1.265 165 G CA 1.458 46.650 45.100 0.153 0.000 0.998 165 G HN 2.014 nan 8.290 nan 0.000 0.551 166 T N -0.707 113.970 114.554 0.206 0.000 3.077 166 T HA 0.209 4.637 4.350 0.131 0.000 0.269 166 T C 2.342 177.179 174.700 0.228 0.000 1.146 166 T CA 1.540 63.783 62.100 0.239 0.000 1.091 166 T CB -0.488 68.538 68.868 0.264 0.000 0.892 166 T HN 1.766 nan 8.240 nan 0.000 0.533 167 G N 1.228 110.141 108.800 0.188 0.000 2.535 167 G HA2 -0.065 3.974 3.960 0.131 0.000 0.218 167 G HA3 -0.065 3.974 3.960 0.131 0.000 0.218 167 G C 1.229 176.104 174.900 -0.043 0.000 1.122 167 G CA 0.423 45.568 45.100 0.076 0.000 0.769 167 G HN 0.552 nan 8.290 nan 0.000 0.549 168 I N 1.310 121.963 120.570 0.137 0.000 2.614 168 I HA 0.076 4.324 4.170 0.131 0.000 0.258 168 I C 2.782 178.939 176.117 0.067 0.000 1.189 168 I CA 0.642 62.081 61.300 0.231 0.000 1.462 168 I CB -0.271 37.997 38.000 0.448 0.000 1.092 168 I HN 0.176 nan 8.210 nan 0.000 0.442 169 A N 2.355 125.182 122.820 0.012 0.000 1.859 169 A HA -0.197 4.201 4.320 0.131 0.000 0.218 169 A C 0.177 177.638 177.584 -0.204 0.000 1.209 169 A CA 2.532 54.537 52.037 -0.054 0.000 0.639 169 A CB -2.476 16.512 19.000 -0.019 0.000 0.835 169 A HN 0.450 nan 8.150 nan 0.000 0.450 170 P HA -0.126 nan 4.420 nan 0.000 0.220 170 P C 0.966 177.968 177.300 -0.497 0.000 1.148 170 P CA 1.025 63.853 63.100 -0.454 0.000 0.803 170 P CB -0.235 31.107 31.700 -0.598 0.000 0.782 171 F N 0.604 120.362 119.950 -0.320 0.000 2.293 171 F HA 0.091 4.696 4.527 0.129 0.000 0.297 171 F C 2.848 178.632 175.800 -0.027 0.000 1.089 171 F CA 0.171 57.980 58.000 -0.317 0.000 1.377 171 F CB -1.469 37.401 39.000 -0.217 0.000 1.051 171 F HN -0.124 nan 8.300 nan 0.000 0.511 172 R N -0.036 120.571 120.500 0.178 0.000 2.075 172 R HA -0.143 4.276 4.340 0.131 0.000 0.232 172 R C 2.533 178.903 176.300 0.118 0.000 1.126 172 R CA 1.489 57.700 56.100 0.186 0.000 0.963 172 R CB -0.486 29.706 30.300 -0.180 0.000 0.858 172 R HN 0.195 nan 8.270 nan 0.000 0.435 173 S N -0.244 115.476 115.700 0.034 0.000 2.359 173 S HA -0.149 4.400 4.470 0.131 0.000 0.224 173 S C 1.700 176.451 174.600 0.251 0.000 1.035 173 S CA 1.263 59.517 58.200 0.091 0.000 1.018 173 S CB -0.339 62.920 63.200 0.098 0.000 0.876 173 S HN 0.360 nan 8.310 nan 0.000 0.448 174 F N 1.763 121.699 119.950 -0.023 0.000 2.046 174 F HA -0.017 4.587 4.527 0.128 0.000 0.297 174 F C 2.202 177.926 175.800 -0.127 0.000 1.123 174 F CA 0.963 58.900 58.000 -0.105 0.000 1.199 174 F CB -1.120 37.811 39.000 -0.116 0.000 0.972 174 F HN 0.197 nan 8.300 nan 0.000 0.474 175 L N -2.408 118.919 121.223 0.174 0.000 2.131 175 L HA -0.241 4.177 4.340 0.131 0.000 0.210 175 L C 2.320 179.185 176.870 -0.009 0.000 1.092 175 L CA 1.079 55.929 54.840 0.017 0.000 0.759 175 L CB -0.717 41.393 42.059 0.085 0.000 0.903 175 L HN 0.192 nan 8.230 nan 0.000 0.435 176 W N 0.611 121.829 121.300 -0.137 0.000 2.381 176 W HA -0.174 4.546 4.660 0.101 0.000 0.301 176 W C 2.772 179.301 176.519 0.016 0.000 1.205 176 W CA 1.353 58.634 57.345 -0.106 0.000 1.285 176 W CB -0.239 29.200 29.460 -0.034 0.000 1.133 176 W HN 0.028 nan 8.180 nan 0.000 0.521 177 K N -0.222 120.299 120.400 0.202 0.000 2.097 177 K HA -0.187 4.211 4.320 0.131 0.000 0.206 177 K C 1.931 178.589 176.600 0.097 0.000 1.049 177 K CA 1.678 58.052 56.287 0.144 0.000 0.933 177 K CB -0.338 32.124 32.500 -0.064 0.000 0.717 177 K HN 0.099 nan 8.250 nan 0.000 0.442 178 M N -0.809 118.701 119.600 -0.150 0.000 2.156 178 M HA -0.070 4.489 4.480 0.131 0.000 0.264 178 M C 1.077 177.061 176.300 -0.527 0.000 1.067 178 M CA 1.531 56.549 55.300 -0.470 0.000 1.131 178 M CB 0.074 31.919 32.600 -1.258 0.000 1.368 178 M HN 0.088 nan 8.290 nan 0.000 0.416 179 F N -2.977 116.971 119.950 -0.003 0.000 2.752 179 F HA 0.210 4.814 4.527 0.129 0.000 0.310 179 F C 1.231 177.146 175.800 0.191 0.000 1.097 179 F CA -0.156 57.860 58.000 0.027 0.000 1.238 179 F CB 0.217 39.146 39.000 -0.119 0.000 1.061 179 F HN -0.065 nan 8.300 nan 0.000 0.591 180 F N 0.856 120.769 119.950 -0.063 0.000 2.678 180 F HA 0.310 4.912 4.527 0.125 0.000 0.305 180 F C 0.338 176.063 175.800 -0.125 0.000 1.090 180 F CA -0.374 57.487 58.000 -0.232 0.000 1.272 180 F CB -0.321 38.273 39.000 -0.677 0.000 1.060 180 F HN -0.076 nan 8.300 nan 0.000 0.576 181 E N -0.397 119.888 120.200 0.141 0.000 2.393 181 E HA 0.412 4.840 4.350 0.131 0.000 0.273 181 E C -0.819 175.739 176.600 -0.070 0.000 0.918 181 E CA -0.979 55.429 56.400 0.014 0.000 0.773 181 E CB 2.509 32.255 29.700 0.076 0.000 1.275 181 E HN -0.078 nan 8.360 nan 0.000 0.451 182 K N 1.724 121.981 120.400 -0.238 0.000 2.274 182 K HA 0.434 4.833 4.320 0.131 0.000 0.262 182 K C -1.033 175.333 176.600 -0.390 0.000 0.961 182 K CA -0.685 55.493 56.287 -0.182 0.000 0.833 182 K CB 1.129 33.568 32.500 -0.102 0.000 1.102 182 K HN 0.421 nan 8.250 nan 0.000 0.436 183 H N 2.107 121.222 119.070 0.074 0.000 2.689 183 H HA 0.085 4.717 4.556 0.128 0.000 0.346 183 H C 0.314 175.680 175.328 0.063 0.000 1.037 183 H CA -0.497 55.598 56.048 0.078 0.000 1.234 183 H CB 1.935 31.772 29.762 0.125 0.000 1.572 183 H HN 0.621 nan 8.280 nan 0.000 0.524 184 E N 1.399 121.687 120.200 0.148 0.000 2.118 184 E HA -0.127 4.302 4.350 0.131 0.000 0.195 184 E C 0.313 176.971 176.600 0.097 0.000 0.992 184 E CA 1.212 57.666 56.400 0.090 0.000 0.804 184 E CB 0.286 30.023 29.700 0.063 0.000 0.741 184 E HN 0.565 nan 8.360 nan 0.000 0.458 185 D N -1.353 119.124 120.400 0.129 0.000 2.339 185 D HA 0.013 4.731 4.640 0.131 0.000 0.217 185 D C -0.588 175.821 176.300 0.181 0.000 1.050 185 D CA 0.160 54.227 54.000 0.112 0.000 0.856 185 D CB 0.150 40.995 40.800 0.075 0.000 0.922 185 D HN 0.075 nan 8.370 nan 0.000 0.518 186 Y N 0.766 121.096 120.300 0.049 0.000 2.298 186 Y HA 0.304 4.931 4.550 0.129 0.000 0.322 186 Y C -1.541 174.404 175.900 0.075 0.000 1.138 186 Y CA -0.742 57.377 58.100 0.031 0.000 1.127 186 Y CB 0.915 39.351 38.460 -0.040 0.000 1.178 186 Y HN -0.339 nan 8.280 nan 0.000 0.428 187 Q N 6.374 125.947 119.800 -0.378 0.000 2.464 187 Q HA 0.299 4.717 4.340 0.131 0.000 0.256 187 Q C -1.309 174.430 176.000 -0.436 0.000 1.020 187 Q CA -0.612 55.022 55.803 -0.281 0.000 0.716 187 Q CB 1.350 30.011 28.738 -0.127 0.000 1.230 187 Q HN 0.621 nan 8.270 nan 0.000 0.494 188 F N 2.259 121.806 119.950 -0.672 0.000 2.578 188 F HA 0.149 4.755 4.527 0.131 0.000 0.381 188 F C 0.512 176.181 175.800 -0.218 0.000 1.069 188 F CA 0.603 58.294 58.000 -0.516 0.000 1.231 188 F CB 0.532 39.267 39.000 -0.441 0.000 1.086 188 F HN 0.483 nan 8.300 nan 0.000 0.564 189 N N 3.405 121.589 118.700 -0.860 0.000 2.387 189 N HA 0.244 5.063 4.740 0.131 0.000 0.259 189 N C 0.077 175.192 175.510 -0.658 0.000 1.369 189 N CA 0.275 52.982 53.050 -0.572 0.000 0.867 189 N CB 0.322 38.638 38.487 -0.285 0.000 1.341 189 N HN 0.716 nan 8.380 nan 0.000 0.495 190 G N -0.194 107.829 108.800 -1.296 0.000 2.782 190 G HA2 0.486 4.524 3.960 0.131 0.000 0.201 190 G HA3 0.486 4.524 3.960 0.131 0.000 0.201 190 G C -1.134 173.604 174.900 -0.269 0.000 1.374 190 G CA -0.355 44.360 45.100 -0.641 0.000 1.039 190 G HN 0.186 nan 8.290 nan 0.000 0.576 191 L N 0.181 121.508 121.223 0.173 0.000 2.325 191 L HA 0.793 5.211 4.340 0.131 0.000 0.281 191 L C 0.009 177.235 176.870 0.594 0.000 1.004 191 L CA -0.849 54.202 54.840 0.352 0.000 0.823 191 L CB 1.205 43.390 42.059 0.210 0.000 1.236 191 L HN 0.632 nan 8.230 nan 0.000 0.415 192 A N 4.979 128.203 122.820 0.674 0.000 2.288 192 A HA 0.636 5.035 4.320 0.131 0.000 0.320 192 A C -1.728 176.162 177.584 0.511 0.000 1.217 192 A CA -0.440 51.943 52.037 0.576 0.000 0.840 192 A CB 0.524 19.851 19.000 0.546 0.000 1.179 192 A HN 0.748 nan 8.150 nan 0.000 0.504 193 W N 4.337 125.737 121.300 0.167 0.000 2.499 193 W HA 0.548 5.286 4.660 0.129 0.000 0.320 193 W C -2.046 174.414 176.519 -0.099 0.000 1.010 193 W CA -1.492 55.821 57.345 -0.052 0.000 1.267 193 W CB 1.564 31.013 29.460 -0.019 0.000 1.316 193 W HN 0.540 nan 8.180 nan 0.000 0.431 194 L N 6.690 127.999 121.223 0.143 0.000 2.295 194 L HA 0.629 5.048 4.340 0.131 0.000 0.285 194 L C -1.641 175.074 176.870 -0.259 0.000 1.035 194 L CA -0.212 54.590 54.840 -0.062 0.000 0.806 194 L CB 0.718 42.721 42.059 -0.093 0.000 1.214 194 L HN 0.172 nan 8.230 nan 0.000 0.426 195 F N 6.037 125.895 119.950 -0.153 0.000 2.449 195 F HA 0.585 5.190 4.527 0.131 0.000 0.342 195 F C -0.619 175.183 175.800 0.004 0.000 1.127 195 F CA -0.575 57.364 58.000 -0.102 0.000 0.975 195 F CB 1.879 40.786 39.000 -0.155 0.000 1.146 195 F HN 0.332 nan 8.300 nan 0.000 0.444 196 L N 3.562 124.938 121.223 0.254 0.000 2.376 196 L HA 0.846 5.264 4.340 0.131 0.000 0.275 196 L C -0.469 176.597 176.870 0.327 0.000 0.987 196 L CA -0.328 54.705 54.840 0.322 0.000 0.828 196 L CB 1.573 43.892 42.059 0.432 0.000 1.249 196 L HN 0.575 nan 8.230 nan 0.000 0.409 197 G N 4.817 113.773 108.800 0.259 0.000 2.368 197 G HA2 0.626 4.664 3.960 0.131 0.000 0.320 197 G HA3 0.626 4.664 3.960 0.131 0.000 0.320 197 G C -1.117 173.895 174.900 0.187 0.000 1.158 197 G CA -0.114 45.121 45.100 0.225 0.000 0.912 197 G HN 1.006 nan 8.290 nan 0.000 0.456 198 V N 0.629 120.634 119.914 0.151 0.000 3.159 198 V HA 0.694 4.893 4.120 0.131 0.000 0.308 198 V C -2.495 173.644 176.094 0.075 0.000 1.190 198 V CA -2.166 60.199 62.300 0.108 0.000 1.037 198 V CB 2.044 33.912 31.823 0.074 0.000 1.060 198 V HN 0.379 nan 8.190 nan 0.000 0.437 199 P HA 0.077 nan 4.420 nan 0.000 0.215 199 P C 0.559 177.862 177.300 0.007 0.000 1.157 199 P CA 1.875 64.997 63.100 0.037 0.000 0.859 199 P CB 0.058 31.788 31.700 0.050 0.000 0.786 200 T N -6.002 108.554 114.554 0.002 0.000 2.901 200 T HA 0.391 4.820 4.350 0.131 0.000 0.293 200 T C 0.978 175.659 174.700 -0.033 0.000 1.084 200 T CA -0.558 61.533 62.100 -0.014 0.000 1.008 200 T CB 1.326 70.185 68.868 -0.014 0.000 1.170 200 T HN -0.326 nan 8.240 nan 0.000 0.509 201 S N 0.744 116.419 115.700 -0.042 0.000 2.419 201 S HA -0.078 4.471 4.470 0.131 0.000 0.233 201 S C 2.076 176.625 174.600 -0.086 0.000 1.016 201 S CA 1.406 59.564 58.200 -0.071 0.000 0.974 201 S CB -0.568 62.599 63.200 -0.054 0.000 0.786 201 S HN 0.935 nan 8.310 nan 0.000 0.492 202 S N 0.386 116.048 115.700 -0.064 0.000 2.607 202 S HA 0.151 4.700 4.470 0.131 0.000 0.224 202 S C 1.124 175.677 174.600 -0.078 0.000 0.969 202 S CA 0.187 58.344 58.200 -0.071 0.000 0.927 202 S CB -0.012 63.155 63.200 -0.055 0.000 0.772 202 S HN 0.255 nan 8.310 nan 0.000 0.533 203 S N 0.770 116.429 115.700 -0.068 0.000 2.578 203 S HA 0.392 4.941 4.470 0.131 0.000 0.231 203 S C 0.234 174.796 174.600 -0.063 0.000 0.994 203 S CA -0.460 57.708 58.200 -0.053 0.000 0.956 203 S CB -0.060 63.133 63.200 -0.011 0.000 0.870 203 S HN 0.440 nan 8.310 nan 0.000 0.494 204 L N 3.274 124.425 121.223 -0.118 0.000 2.382 204 L HA 0.223 4.642 4.340 0.131 0.000 0.259 204 L C -0.240 176.561 176.870 -0.115 0.000 1.291 204 L CA -0.150 54.588 54.840 -0.171 0.000 1.176 204 L CB -0.383 41.438 42.059 -0.396 0.000 1.373 204 L HN 0.194 nan 8.230 nan 0.000 0.426 205 L N 3.459 124.656 121.223 -0.044 0.000 2.601 205 L HA -0.129 4.289 4.340 0.131 0.000 0.277 205 L C 0.476 177.349 176.870 0.004 0.000 1.219 205 L CA 0.076 54.825 54.840 -0.152 0.000 0.915 205 L CB -0.538 41.465 42.059 -0.094 0.000 1.160 205 L HN 0.548 nan 8.230 nan 0.000 0.494 206 Y N 0.523 120.791 120.300 -0.053 0.000 4.409 206 Y HA -0.347 4.283 4.550 0.133 0.000 0.228 206 Y C 1.741 177.453 175.900 -0.314 0.000 1.108 206 Y CA 1.093 59.036 58.100 -0.260 0.000 1.955 206 Y CB -1.918 36.263 38.460 -0.465 0.000 1.615 206 Y HN 0.632 nan 8.280 nan 0.000 0.665 207 K N 0.785 121.196 120.400 0.019 0.000 2.034 207 K HA -0.300 4.099 4.320 0.131 0.000 0.214 207 K C 1.538 178.225 176.600 0.144 0.000 1.051 207 K CA 2.414 58.773 56.287 0.120 0.000 0.931 207 K CB -0.066 32.385 32.500 -0.081 0.000 0.715 207 K HN 0.524 nan 8.250 nan 0.000 0.446 208 E N 0.536 120.761 120.200 0.043 0.000 2.110 208 E HA -0.175 4.254 4.350 0.131 0.000 0.193 208 E C 1.865 178.507 176.600 0.070 0.000 0.988 208 E CA 1.605 58.041 56.400 0.061 0.000 0.804 208 E CB 0.019 29.736 29.700 0.027 0.000 0.745 208 E HN 0.443 nan 8.360 nan 0.000 0.458 209 E N -0.333 119.853 120.200 -0.024 0.000 2.047 209 E HA -0.144 4.284 4.350 0.131 0.000 0.191 209 E C 1.690 178.268 176.600 -0.037 0.000 0.987 209 E CA 0.892 57.265 56.400 -0.045 0.000 0.799 209 E CB -0.169 29.411 29.700 -0.200 0.000 0.752 209 E HN 0.245 nan 8.360 nan 0.000 0.449 210 F N 1.628 121.702 119.950 0.207 0.000 2.186 210 F HA -0.083 4.523 4.527 0.132 0.000 0.299 210 F C 2.121 178.095 175.800 0.291 0.000 1.090 210 F CA 0.898 59.055 58.000 0.262 0.000 1.307 210 F CB -0.629 38.632 39.000 0.435 0.000 1.019 210 F HN -0.006 nan 8.300 nan 0.000 0.489 211 E N 0.099 120.539 120.200 0.399 0.000 2.150 211 E HA -0.227 4.201 4.350 0.131 0.000 0.193 211 E C 2.045 178.755 176.600 0.183 0.000 0.985 211 E CA 1.089 57.647 56.400 0.264 0.000 0.814 211 E CB -0.157 29.674 29.700 0.217 0.000 0.752 211 E HN 0.148 nan 8.360 nan 0.000 0.466 212 K N 1.299 121.805 120.400 0.176 0.000 2.097 212 K HA -0.085 4.314 4.320 0.131 0.000 0.205 212 K C 1.892 178.579 176.600 0.145 0.000 1.050 212 K CA 1.309 57.684 56.287 0.146 0.000 0.938 212 K CB -0.100 32.510 32.500 0.183 0.000 0.718 212 K HN 0.044 nan 8.250 nan 0.000 0.442 213 M N 0.265 119.947 119.600 0.136 0.000 2.175 213 M HA -0.113 4.445 4.480 0.131 0.000 0.264 213 M C 2.266 178.536 176.300 -0.050 0.000 1.063 213 M CA 1.672 56.934 55.300 -0.063 0.000 1.119 213 M CB -0.255 32.096 32.600 -0.416 0.000 1.377 213 M HN 0.103 nan 8.290 nan 0.000 0.415 214 K N 0.703 121.221 120.400 0.196 0.000 2.097 214 K HA -0.210 4.189 4.320 0.131 0.000 0.205 214 K C 1.867 178.476 176.600 0.015 0.000 1.050 214 K CA 1.507 57.880 56.287 0.143 0.000 0.938 214 K CB -0.003 32.534 32.500 0.061 0.000 0.718 214 K HN 0.341 nan 8.250 nan 0.000 0.442 215 E N 0.514 120.731 120.200 0.028 0.000 2.152 215 E HA -0.186 4.243 4.350 0.131 0.000 0.192 215 E C 1.869 178.464 176.600 -0.008 0.000 0.983 215 E CA 0.968 57.372 56.400 0.006 0.000 0.818 215 E CB 0.177 29.889 29.700 0.019 0.000 0.758 215 E HN 0.183 nan 8.360 nan 0.000 0.467 216 K N -0.396 119.998 120.400 -0.010 0.000 2.116 216 K HA 0.042 4.440 4.320 0.131 0.000 0.203 216 K C 0.189 176.771 176.600 -0.030 0.000 1.052 216 K CA 1.048 57.328 56.287 -0.012 0.000 0.952 216 K CB 0.233 32.745 32.500 0.019 0.000 0.729 216 K HN 0.070 nan 8.250 nan 0.000 0.446 217 A N 1.468 124.226 122.820 -0.104 0.000 3.258 217 A HA 0.279 4.678 4.320 0.131 0.000 0.318 217 A C -2.134 175.398 177.584 -0.087 0.000 0.990 217 A CA -1.088 50.889 52.037 -0.099 0.000 0.885 217 A CB 0.655 19.530 19.000 -0.209 0.000 1.090 217 A HN 0.110 nan 8.150 nan 0.000 0.479 218 P HA -0.195 nan 4.420 nan 0.000 0.219 218 P C 0.660 177.913 177.300 -0.077 0.000 1.146 218 P CA 1.377 64.434 63.100 -0.071 0.000 0.808 218 P CB 0.393 32.058 31.700 -0.058 0.000 0.779 219 E N -0.937 119.238 120.200 -0.040 0.000 2.452 219 E HA 0.039 4.467 4.350 0.131 0.000 0.197 219 E C 0.822 177.424 176.600 0.003 0.000 1.022 219 E CA 0.193 56.572 56.400 -0.036 0.000 0.890 219 E CB -0.166 29.520 29.700 -0.024 0.000 0.918 219 E HN 0.382 nan 8.360 nan 0.000 0.496 220 N N -0.298 118.447 118.700 0.074 0.000 2.184 220 N HA 0.097 4.916 4.740 0.131 0.000 0.206 220 N C -0.925 174.822 175.510 0.395 0.000 1.151 220 N CA -0.071 53.122 53.050 0.238 0.000 0.878 220 N CB 0.710 39.437 38.487 0.401 0.000 1.014 220 N HN -0.044 nan 8.380 nan 0.000 0.512 221 F N 1.367 121.269 119.950 -0.080 0.000 2.557 221 F HA 0.506 5.114 4.527 0.136 0.000 0.316 221 F C -1.119 174.509 175.800 -0.287 0.000 1.141 221 F CA -1.056 56.848 58.000 -0.160 0.000 0.922 221 F CB 1.131 39.846 39.000 -0.475 0.000 1.194 221 F HN -0.299 nan 8.300 nan 0.000 0.443 222 R N 5.252 125.228 120.500 -0.874 0.000 2.562 222 R HA 0.756 5.175 4.340 0.131 0.000 0.298 222 R C -1.918 173.579 176.300 -1.338 0.000 0.961 222 R CA -1.271 54.130 56.100 -1.166 0.000 0.881 222 R CB 2.456 31.784 30.300 -1.620 0.000 1.159 222 R HN 0.625 nan 8.270 nan 0.000 0.450 223 L N 1.991 122.550 121.223 -1.107 0.000 2.409 223 L HA 0.475 4.893 4.340 0.131 0.000 0.272 223 L C -1.583 174.816 176.870 -0.785 0.000 0.980 223 L CA -0.172 54.086 54.840 -0.970 0.000 0.826 223 L CB 2.059 43.559 42.059 -0.931 0.000 1.268 223 L HN 0.554 nan 8.230 nan 0.000 0.407 224 D N 4.842 124.766 120.400 -0.793 0.000 2.788 224 D HA 0.361 5.079 4.640 0.131 0.000 0.247 224 D C -1.304 174.755 176.300 -0.402 0.000 1.236 224 D CA 0.014 53.675 54.000 -0.565 0.000 0.898 224 D CB 1.666 42.157 40.800 -0.515 0.000 1.401 224 D HN 0.190 nan 8.370 nan 0.000 0.549 225 F N 1.085 121.048 119.950 0.023 0.000 2.422 225 F HA 0.584 5.188 4.527 0.129 0.000 0.333 225 F C 0.644 176.508 175.800 0.106 0.000 1.095 225 F CA -1.090 56.955 58.000 0.075 0.000 1.038 225 F CB 1.682 40.727 39.000 0.075 0.000 1.156 225 F HN 0.247 nan 8.300 nan 0.000 0.483 226 A N 2.581 125.597 122.820 0.327 0.000 2.409 226 A HA 0.657 5.055 4.320 0.131 0.000 0.300 226 A C -1.364 176.306 177.584 0.142 0.000 1.273 226 A CA -0.565 51.600 52.037 0.212 0.000 0.774 226 A CB 0.340 19.471 19.000 0.219 0.000 1.144 226 A HN 0.501 nan 8.150 nan 0.000 0.472 227 V N 3.746 123.712 119.914 0.087 0.000 2.288 227 V HA 0.116 4.315 4.120 0.131 0.000 0.266 227 V C 1.630 177.695 176.094 -0.048 0.000 1.048 227 V CA 0.480 62.796 62.300 0.027 0.000 0.842 227 V CB 0.142 31.977 31.823 0.020 0.000 1.064 227 V HN 1.100 nan 8.190 nan 0.000 0.472 228 S N 4.704 120.334 115.700 -0.117 0.000 2.387 228 S HA -0.233 4.315 4.470 0.131 0.000 0.230 228 S C 1.632 176.100 174.600 -0.220 0.000 1.035 228 S CA 1.272 59.281 58.200 -0.318 0.000 1.014 228 S CB -0.286 62.598 63.200 -0.527 0.000 0.836 228 S HN 0.739 nan 8.310 nan 0.000 0.466 229 R N 0.673 121.108 120.500 -0.108 0.000 2.317 229 R HA 0.280 4.699 4.340 0.131 0.000 0.208 229 R C 1.453 177.726 176.300 -0.046 0.000 0.914 229 R CA 0.729 56.789 56.100 -0.066 0.000 1.060 229 R CB 0.049 30.331 30.300 -0.030 0.000 1.015 229 R HN 0.604 nan 8.270 nan 0.000 0.498 230 E N -0.442 119.732 120.200 -0.044 0.000 2.474 230 E HA 0.075 4.504 4.350 0.131 0.000 0.215 230 E C -0.136 176.452 176.600 -0.020 0.000 0.867 230 E CA 0.088 56.473 56.400 -0.024 0.000 1.135 230 E CB 0.875 30.567 29.700 -0.014 0.000 1.147 230 E HN 0.193 nan 8.360 nan 0.000 0.534 231 Q N 0.816 120.599 119.800 -0.028 0.000 2.351 231 Q HA 0.587 5.005 4.340 0.131 0.000 0.273 231 Q C -0.786 175.194 176.000 -0.034 0.000 1.077 231 Q CA -0.994 54.800 55.803 -0.014 0.000 0.843 231 Q CB 3.177 31.923 28.738 0.013 0.000 1.367 231 Q HN -0.034 nan 8.270 nan 0.000 0.449 232 V N -1.620 118.284 119.914 -0.017 0.000 3.087 232 V HA 0.545 4.743 4.120 0.131 0.000 0.306 232 V C -0.896 175.195 176.094 -0.005 0.000 1.187 232 V CA -1.230 61.058 62.300 -0.019 0.000 0.999 232 V CB 1.684 33.496 31.823 -0.018 0.000 1.049 232 V HN 0.944 nan 8.190 nan 0.000 0.431 233 N N 1.230 119.928 118.700 -0.002 0.000 2.322 233 N HA 0.182 5.001 4.740 0.131 0.000 0.270 233 N C 0.683 176.189 175.510 -0.006 0.000 1.286 233 N CA 0.232 53.281 53.050 -0.001 0.000 0.948 233 N CB -0.069 38.418 38.487 0.000 0.000 1.164 233 N HN 0.866 nan 8.380 nan 0.000 0.551 234 D N -1.462 118.932 120.400 -0.010 0.000 2.351 234 D HA -0.164 4.555 4.640 0.131 0.000 0.216 234 D C 0.310 176.605 176.300 -0.009 0.000 0.968 234 D CA 1.287 55.281 54.000 -0.011 0.000 0.899 234 D CB -0.254 40.537 40.800 -0.016 0.000 0.907 234 D HN 0.643 nan 8.370 nan 0.000 0.514 235 K N -0.692 119.704 120.400 -0.007 0.000 2.372 235 K HA 0.328 4.726 4.320 0.131 0.000 0.200 235 K C 1.097 177.696 176.600 -0.001 0.000 1.022 235 K CA 0.319 56.603 56.287 -0.004 0.000 1.125 235 K CB 0.641 33.139 32.500 -0.004 0.000 0.855 235 K HN 0.184 nan 8.250 nan 0.000 0.524 236 G N 1.967 110.765 108.800 -0.002 0.000 2.153 236 G HA2 -0.293 3.746 3.960 0.131 0.000 0.252 236 G HA3 -0.293 3.746 3.960 0.131 0.000 0.252 236 G C -0.457 174.442 174.900 -0.001 0.000 0.994 236 G CA 0.095 45.194 45.100 -0.002 0.000 0.698 236 G HN 0.400 nan 8.290 nan 0.000 0.521 237 E N 0.421 120.623 120.200 0.003 0.000 2.266 237 E HA 0.396 4.824 4.350 0.131 0.000 0.277 237 E C 0.377 176.969 176.600 -0.013 0.000 1.018 237 E CA -0.770 55.637 56.400 0.012 0.000 0.840 237 E CB 1.053 30.771 29.700 0.032 0.000 1.082 237 E HN 0.294 nan 8.360 nan 0.000 0.395 238 K N 1.742 122.117 120.400 -0.041 0.000 2.524 238 K HA -0.070 4.329 4.320 0.131 0.000 0.279 238 K C 0.107 176.585 176.600 -0.204 0.000 0.993 238 K CA 0.226 56.409 56.287 -0.175 0.000 1.030 238 K CB 0.234 32.535 32.500 -0.331 0.000 0.891 238 K HN 0.286 nan 8.250 nan 0.000 0.488 239 M N 4.992 124.474 119.600 -0.196 0.000 3.011 239 M HA 0.110 4.668 4.480 0.131 0.000 0.292 239 M C -1.362 174.873 176.300 -0.109 0.000 1.440 239 M CA 0.169 55.414 55.300 -0.090 0.000 1.552 239 M CB -0.517 32.073 32.600 -0.017 0.000 1.187 239 M HN 0.324 nan 8.290 nan 0.000 0.520 240 Y N 1.350 121.684 120.300 0.057 0.000 2.282 240 Y HA 0.177 4.805 4.550 0.130 0.000 0.335 240 Y C 1.526 177.470 175.900 0.073 0.000 1.335 240 Y CA -0.068 58.067 58.100 0.059 0.000 1.529 240 Y CB 0.321 38.803 38.460 0.037 0.000 1.429 240 Y HN 0.553 nan 8.280 nan 0.000 0.563 241 I N 0.732 121.465 120.570 0.271 0.000 2.208 241 I HA -0.328 3.921 4.170 0.131 0.000 0.245 241 I C 2.296 178.463 176.117 0.084 0.000 1.097 241 I CA 1.578 62.985 61.300 0.178 0.000 1.363 241 I CB -0.257 37.827 38.000 0.140 0.000 1.051 241 I HN 0.770 nan 8.210 nan 0.000 0.413 242 Q N -0.203 119.635 119.800 0.063 0.000 2.167 242 Q HA -0.169 4.250 4.340 0.131 0.000 0.202 242 Q C 1.827 177.835 176.000 0.013 0.000 0.970 242 Q CA 2.113 57.907 55.803 -0.014 0.000 0.855 242 Q CB -1.207 27.521 28.738 -0.017 0.000 0.911 242 Q HN 0.418 nan 8.270 nan 0.000 0.438 243 T N 1.214 115.822 114.554 0.090 0.000 2.821 243 T HA -0.115 4.313 4.350 0.131 0.000 0.267 243 T C 1.798 176.547 174.700 0.081 0.000 1.046 243 T CA 1.612 63.761 62.100 0.081 0.000 1.139 243 T CB -0.125 68.809 68.868 0.110 0.000 0.871 243 T HN 0.260 nan 8.240 nan 0.000 0.454 244 R N 1.111 121.693 120.500 0.136 0.000 2.075 244 R HA 0.233 4.651 4.340 0.131 0.000 0.226 244 R C 2.274 178.750 176.300 0.293 0.000 1.114 244 R CA 1.205 57.447 56.100 0.236 0.000 0.972 244 R CB -0.591 29.919 30.300 0.350 0.000 0.869 244 R HN 0.352 nan 8.270 nan 0.000 0.437 245 M N -0.221 119.423 119.600 0.074 0.000 2.159 245 M HA -0.073 4.485 4.480 0.131 0.000 0.263 245 M C 2.128 178.419 176.300 -0.014 0.000 1.063 245 M CA 1.827 57.026 55.300 -0.169 0.000 1.110 245 M CB -0.276 32.023 32.600 -0.503 0.000 1.374 245 M HN 0.299 nan 8.290 nan 0.000 0.411 246 A N -0.156 122.649 122.820 -0.025 0.000 2.070 246 A HA -0.184 4.214 4.320 0.131 0.000 0.220 246 A C 1.930 179.494 177.584 -0.033 0.000 1.159 246 A CA 1.333 53.346 52.037 -0.040 0.000 0.656 246 A CB -0.585 18.387 19.000 -0.046 0.000 0.800 246 A HN 0.588 nan 8.150 nan 0.000 0.453 247 Q N -2.087 117.688 119.800 -0.041 0.000 2.435 247 Q HA -0.057 4.362 4.340 0.131 0.000 0.207 247 Q C -0.009 175.784 176.000 -0.344 0.000 0.956 247 Q CA 0.835 56.509 55.803 -0.215 0.000 0.917 247 Q CB -0.012 28.534 28.738 -0.320 0.000 0.997 247 Q HN 0.908 nan 8.270 nan 0.000 0.497 248 Y N -1.715 118.651 120.300 0.110 0.000 2.716 248 Y HA 0.368 4.997 4.550 0.132 0.000 0.260 248 Y C 1.413 177.361 175.900 0.080 0.000 1.141 248 Y CA -0.256 57.942 58.100 0.163 0.000 1.168 248 Y CB 0.115 38.759 38.460 0.307 0.000 1.189 248 Y HN 0.038 nan 8.280 nan 0.000 0.549 249 A N 0.677 123.564 122.820 0.111 0.000 1.881 249 A HA -0.351 4.048 4.320 0.131 0.000 0.219 249 A C 2.168 179.827 177.584 0.125 0.000 1.215 249 A CA 2.594 54.661 52.037 0.051 0.000 0.648 249 A CB -0.534 18.454 19.000 -0.021 0.000 0.832 249 A HN 0.590 nan 8.150 nan 0.000 0.455 250 E N -0.604 119.679 120.200 0.138 0.000 2.038 250 E HA -0.266 4.162 4.350 0.131 0.000 0.195 250 E C 1.966 178.705 176.600 0.232 0.000 1.000 250 E CA 1.665 58.173 56.400 0.180 0.000 0.803 250 E CB -0.137 29.645 29.700 0.137 0.000 0.750 250 E HN 0.692 nan 8.360 nan 0.000 0.448 251 E N 0.699 121.056 120.200 0.262 0.000 2.058 251 E HA -0.190 4.238 4.350 0.131 0.000 0.194 251 E C 2.191 178.956 176.600 0.276 0.000 0.997 251 E CA 1.318 57.901 56.400 0.306 0.000 0.801 251 E CB -0.228 29.756 29.700 0.472 0.000 0.746 251 E HN 0.295 nan 8.360 nan 0.000 0.450 252 L N -0.183 121.172 121.223 0.220 0.000 2.012 252 L HA -0.174 4.245 4.340 0.131 0.000 0.210 252 L C 2.443 179.434 176.870 0.201 0.000 1.073 252 L CA 1.274 56.184 54.840 0.117 0.000 0.748 252 L CB -0.522 41.513 42.059 -0.040 0.000 0.891 252 L HN 0.419 nan 8.230 nan 0.000 0.431 253 W N 1.320 122.633 121.300 0.022 0.000 2.358 253 W HA -0.202 4.536 4.660 0.131 0.000 0.303 253 W C 2.311 178.868 176.519 0.062 0.000 1.208 253 W CA 1.233 58.589 57.345 0.019 0.000 1.274 253 W CB 0.097 29.540 29.460 -0.028 0.000 1.138 253 W HN 0.190 nan 8.180 nan 0.000 0.515 254 E N 0.806 121.010 120.200 0.005 0.000 2.085 254 E HA -0.224 4.204 4.350 0.131 0.000 0.194 254 E C 2.242 178.790 176.600 -0.086 0.000 0.994 254 E CA 1.475 57.817 56.400 -0.096 0.000 0.801 254 E CB -0.854 28.871 29.700 0.042 0.000 0.743 254 E HN 0.445 nan 8.360 nan 0.000 0.453 255 L N 0.355 121.594 121.223 0.028 0.000 2.093 255 L HA -0.137 4.281 4.340 0.131 0.000 0.208 255 L C 2.524 179.407 176.870 0.021 0.000 1.085 255 L CA 0.641 55.522 54.840 0.068 0.000 0.755 255 L CB -0.343 41.817 42.059 0.169 0.000 0.904 255 L HN 0.098 nan 8.230 nan 0.000 0.435 256 L N -0.364 120.858 121.223 -0.002 0.000 2.353 256 L HA -0.180 4.239 4.340 0.131 0.000 0.220 256 L C 2.102 178.931 176.870 -0.068 0.000 1.133 256 L CA 1.023 55.889 54.840 0.043 0.000 0.798 256 L CB -0.307 41.876 42.059 0.207 0.000 0.922 256 L HN 0.224 nan 8.230 nan 0.000 0.445 257 K N -0.225 120.018 120.400 -0.262 0.000 2.444 257 K HA 0.073 4.471 4.320 0.131 0.000 0.193 257 K C 0.185 176.731 176.600 -0.090 0.000 1.024 257 K CA 0.181 56.330 56.287 -0.229 0.000 1.077 257 K CB 0.299 32.550 32.500 -0.414 0.000 0.833 257 K HN 0.231 nan 8.250 nan 0.000 0.517 258 K N 1.147 121.510 120.400 -0.061 0.000 2.143 258 K HA 0.099 4.497 4.320 0.131 0.000 0.272 258 K C -0.046 176.524 176.600 -0.049 0.000 1.001 258 K CA -0.397 55.871 56.287 -0.032 0.000 0.915 258 K CB 1.231 33.731 32.500 0.001 0.000 1.047 258 K HN -0.076 nan 8.250 nan 0.000 0.458 259 D N 1.271 121.644 120.400 -0.045 0.000 2.348 259 D HA -0.112 4.607 4.640 0.131 0.000 0.216 259 D C 0.764 177.001 176.300 -0.105 0.000 0.970 259 D CA 0.960 54.911 54.000 -0.081 0.000 0.889 259 D CB 0.157 40.934 40.800 -0.038 0.000 0.912 259 D HN 0.523 nan 8.370 nan 0.000 0.524 260 N N 0.051 118.742 118.700 -0.015 0.000 2.238 260 N HA -0.037 4.782 4.740 0.131 0.000 0.222 260 N C -0.451 175.162 175.510 0.172 0.000 1.133 260 N CA -0.115 53.010 53.050 0.125 0.000 0.854 260 N CB 0.154 38.750 38.487 0.182 0.000 1.041 260 N HN -0.273 nan 8.380 nan 0.000 0.510 261 T N 1.510 116.038 114.554 -0.045 0.000 2.749 261 T HA 0.423 4.851 4.350 0.131 0.000 0.287 261 T C -1.052 173.570 174.700 -0.130 0.000 0.970 261 T CA -0.214 61.927 62.100 0.068 0.000 0.980 261 T CB 0.234 69.145 68.868 0.071 0.000 0.924 261 T HN 0.017 nan 8.240 nan 0.000 0.456 262 F N 2.328 122.382 119.950 0.175 0.000 2.467 262 F HA 0.563 5.170 4.527 0.134 0.000 0.336 262 F C 0.005 175.866 175.800 0.101 0.000 1.123 262 F CA -1.083 56.993 58.000 0.127 0.000 0.964 262 F CB 1.418 40.558 39.000 0.233 0.000 1.136 262 F HN 0.178 nan 8.300 nan 0.000 0.447 263 V N 3.809 123.734 119.914 0.019 0.000 2.483 263 V HA 0.437 4.636 4.120 0.131 0.000 0.295 263 V C -1.050 174.790 176.094 -0.424 0.000 1.035 263 V CA -1.025 61.181 62.300 -0.156 0.000 0.896 263 V CB 1.463 33.059 31.823 -0.378 0.000 0.986 263 V HN 0.539 nan 8.190 nan 0.000 0.447 264 Y N 3.673 123.845 120.300 -0.215 0.000 2.425 264 Y HA 0.702 5.332 4.550 0.134 0.000 0.344 264 Y C -0.012 175.825 175.900 -0.105 0.000 0.969 264 Y CA -0.677 57.367 58.100 -0.093 0.000 1.052 264 Y CB 2.125 40.668 38.460 0.138 0.000 1.215 264 Y HN 0.538 nan 8.280 nan 0.000 0.451 265 M N 4.065 123.732 119.600 0.112 0.000 2.326 265 M HA 0.706 5.265 4.480 0.131 0.000 0.306 265 M C -1.944 174.476 176.300 0.200 0.000 1.054 265 M CA -0.355 55.019 55.300 0.123 0.000 0.922 265 M CB 1.540 34.091 32.600 -0.082 0.000 1.632 265 M HN 0.884 nan 8.290 nan 0.000 0.436 266 C N 3.812 123.238 119.300 0.210 0.000 2.985 266 C HA 0.998 5.537 4.460 0.131 0.000 0.332 266 C C -0.083 174.880 174.990 -0.046 0.000 1.164 266 C CA 0.903 59.926 59.018 0.007 0.000 1.347 266 C CB 1.137 28.739 27.740 -0.230 0.000 1.764 266 C HN 1.167 nan 8.230 nan 0.000 0.489 267 G N 3.680 112.322 108.800 -0.264 0.000 2.332 267 G HA2 0.323 4.361 3.960 0.131 0.000 0.265 267 G HA3 0.323 4.361 3.960 0.131 0.000 0.265 267 G C -1.996 172.447 174.900 -0.761 0.000 1.329 267 G CA -0.746 44.121 45.100 -0.387 0.000 0.949 267 G HN 0.837 nan 8.290 nan 0.000 0.476 268 L N 1.377 122.348 121.223 -0.420 0.000 2.410 268 L HA 0.393 4.812 4.340 0.131 0.000 0.273 268 L C 1.126 177.863 176.870 -0.222 0.000 1.152 268 L CA -0.306 54.338 54.840 -0.328 0.000 0.855 268 L CB 0.726 42.718 42.059 -0.113 0.000 1.129 268 L HN 0.470 nan 8.230 nan 0.000 0.463 269 K N 2.336 122.625 120.400 -0.185 0.000 2.472 269 K HA 0.216 4.615 4.320 0.131 0.000 0.280 269 K C 0.990 177.553 176.600 -0.062 0.000 1.028 269 K CA 1.120 57.349 56.287 -0.096 0.000 1.045 269 K CB 0.148 32.617 32.500 -0.052 0.000 0.902 269 K HN 0.824 nan 8.250 nan 0.000 0.478 270 G N 3.515 112.290 108.800 -0.043 0.000 2.380 270 G HA2 -0.272 3.766 3.960 0.131 0.000 0.197 270 G HA3 -0.272 3.766 3.960 0.131 0.000 0.197 270 G C 0.875 175.751 174.900 -0.039 0.000 1.001 270 G CA 0.383 45.461 45.100 -0.037 0.000 0.668 270 G HN 0.628 nan 8.290 nan 0.000 0.483 271 M N 0.130 119.708 119.600 -0.036 0.000 2.374 271 M HA 0.345 4.904 4.480 0.131 0.000 0.264 271 M C 1.742 178.051 176.300 0.015 0.000 1.067 271 M CA 2.129 57.416 55.300 -0.022 0.000 1.103 271 M CB -0.489 32.104 32.600 -0.011 0.000 1.402 271 M HN 0.255 nan 8.290 nan 0.000 0.444 272 E N 1.869 122.094 120.200 0.041 0.000 2.077 272 E HA -0.166 4.262 4.350 0.131 0.000 0.193 272 E C 1.887 178.542 176.600 0.092 0.000 0.989 272 E CA 1.648 58.111 56.400 0.106 0.000 0.800 272 E CB -0.086 29.686 29.700 0.121 0.000 0.746 272 E HN 0.640 nan 8.360 nan 0.000 0.452 273 K N 0.134 120.559 120.400 0.041 0.000 1.988 273 K HA -0.191 4.208 4.320 0.131 0.000 0.221 273 K C 2.332 178.936 176.600 0.007 0.000 1.053 273 K CA 1.489 57.789 56.287 0.021 0.000 0.959 273 K CB -0.684 31.808 32.500 -0.013 0.000 0.728 273 K HN 0.178 nan 8.250 nan 0.000 0.447 274 G N 1.441 110.223 108.800 -0.030 0.000 2.475 274 G HA2 -0.250 3.789 3.960 0.131 0.000 0.220 274 G HA3 -0.250 3.789 3.960 0.131 0.000 0.220 274 G C 1.533 176.415 174.900 -0.030 0.000 1.125 274 G CA 1.067 46.139 45.100 -0.047 0.000 0.755 274 G HN 0.196 nan 8.290 nan 0.000 0.565 275 I N 0.615 121.188 120.570 0.004 0.000 2.286 275 I HA -0.091 4.158 4.170 0.131 0.000 0.245 275 I C 2.241 178.343 176.117 -0.025 0.000 1.104 275 I CA 0.989 62.292 61.300 0.006 0.000 1.397 275 I CB -0.201 37.859 38.000 0.100 0.000 1.072 275 I HN 0.033 nan 8.210 nan 0.000 0.417 276 D N 1.082 121.525 120.400 0.070 0.000 2.117 276 D HA -0.185 4.534 4.640 0.131 0.000 0.197 276 D C 1.724 177.971 176.300 -0.087 0.000 0.987 276 D CA 1.285 55.340 54.000 0.092 0.000 0.829 276 D CB -0.375 40.565 40.800 0.233 0.000 0.961 276 D HN 0.303 nan 8.370 nan 0.000 0.460 277 D N 0.787 121.154 120.400 -0.055 0.000 2.116 277 D HA -0.152 4.567 4.640 0.131 0.000 0.193 277 D C 2.314 178.524 176.300 -0.151 0.000 0.998 277 D CA 0.793 54.745 54.000 -0.080 0.000 0.836 277 D CB -0.349 40.418 40.800 -0.055 0.000 0.951 277 D HN 0.454 nan 8.370 nan 0.000 0.449 278 I N -2.617 117.845 120.570 -0.179 0.000 2.617 278 I HA -0.112 4.136 4.170 0.131 0.000 0.256 278 I C 1.970 177.872 176.117 -0.358 0.000 1.167 278 I CA 0.659 61.829 61.300 -0.216 0.000 1.469 278 I CB -0.159 37.736 38.000 -0.176 0.000 1.098 278 I HN -0.204 nan 8.210 nan 0.000 0.436 279 M N 1.308 120.579 119.600 -0.548 0.000 2.156 279 M HA -0.044 4.515 4.480 0.131 0.000 0.264 279 M C 2.508 178.311 176.300 -0.829 0.000 1.067 279 M CA 1.276 55.968 55.300 -1.013 0.000 1.131 279 M CB -1.187 30.145 32.600 -2.113 0.000 1.368 279 M HN 0.202 nan 8.290 nan 0.000 0.416 280 V N 0.192 119.804 119.914 -0.502 0.000 2.380 280 V HA -0.274 3.924 4.120 0.131 0.000 0.251 280 V C 2.452 178.389 176.094 -0.262 0.000 1.063 280 V CA 1.979 64.156 62.300 -0.205 0.000 1.055 280 V CB -1.057 30.722 31.823 -0.074 0.000 0.657 280 V HN 0.438 nan 8.190 nan 0.000 0.455 281 S N -0.248 115.280 115.700 -0.287 0.000 2.383 281 S HA -0.062 4.487 4.470 0.131 0.000 0.227 281 S C 1.855 176.234 174.600 -0.367 0.000 1.026 281 S CA 1.321 59.364 58.200 -0.262 0.000 0.981 281 S CB -0.270 62.805 63.200 -0.208 0.000 0.818 281 S HN 0.458 nan 8.310 nan 0.000 0.472 282 L N 1.217 122.136 121.223 -0.506 0.000 1.961 282 L HA -0.124 4.294 4.340 0.131 0.000 0.210 282 L C 2.901 179.051 176.870 -1.200 0.000 1.072 282 L CA 1.391 55.789 54.840 -0.737 0.000 0.749 282 L CB -0.861 40.778 42.059 -0.699 0.000 0.889 282 L HN 0.330 nan 8.230 nan 0.000 0.432 283 A N -0.061 121.962 122.820 -1.329 0.000 1.978 283 A HA -0.234 4.165 4.320 0.131 0.000 0.220 283 A C 2.499 179.740 177.584 -0.573 0.000 1.170 283 A CA 1.824 53.104 52.037 -1.261 0.000 0.636 283 A CB -0.794 17.884 19.000 -0.537 0.000 0.810 283 A HN 0.479 nan 8.150 nan 0.000 0.448 284 A N 0.062 122.641 122.820 -0.402 0.000 1.927 284 A HA -0.263 4.136 4.320 0.131 0.000 0.220 284 A C 2.083 179.549 177.584 -0.197 0.000 1.185 284 A CA 2.066 53.967 52.037 -0.227 0.000 0.639 284 A CB -0.542 18.347 19.000 -0.185 0.000 0.820 284 A HN 0.593 nan 8.150 nan 0.000 0.451 285 K N -0.662 119.586 120.400 -0.252 0.000 2.103 285 K HA -0.150 4.249 4.320 0.131 0.000 0.207 285 K C 0.352 176.905 176.600 -0.078 0.000 1.048 285 K CA 1.405 57.599 56.287 -0.156 0.000 0.930 285 K CB -0.200 32.201 32.500 -0.166 0.000 0.716 285 K HN 0.356 nan 8.250 nan 0.000 0.444 286 D N -0.312 120.046 120.400 -0.070 0.000 2.395 286 D HA 0.090 4.809 4.640 0.131 0.000 0.226 286 D C 0.357 176.674 176.300 0.029 0.000 1.146 286 D CA 0.229 54.267 54.000 0.063 0.000 0.830 286 D CB 0.351 41.318 40.800 0.278 0.000 0.958 286 D HN 0.330 nan 8.370 nan 0.000 0.501 287 G N 1.221 110.008 108.800 -0.022 0.000 2.305 287 G HA2 -0.260 3.779 3.960 0.131 0.000 0.287 287 G HA3 -0.260 3.779 3.960 0.131 0.000 0.287 287 G C 0.159 175.058 174.900 -0.002 0.000 1.036 287 G CA -0.060 45.031 45.100 -0.014 0.000 0.887 287 G HN 0.287 nan 8.290 nan 0.000 0.505 288 I N -0.031 120.526 120.570 -0.022 0.000 2.530 288 I HA 0.339 4.588 4.170 0.131 0.000 0.297 288 I C -0.288 175.830 176.117 0.001 0.000 1.011 288 I CA -1.390 59.914 61.300 0.006 0.000 1.107 288 I CB 1.882 39.894 38.000 0.019 0.000 1.285 288 I HN 0.176 nan 8.210 nan 0.000 0.436 289 D N 5.385 125.811 120.400 0.043 0.000 2.365 289 D HA 0.019 4.737 4.640 0.131 0.000 0.237 289 D C 1.032 177.395 176.300 0.104 0.000 1.190 289 D CA -0.238 53.791 54.000 0.048 0.000 0.867 289 D CB 0.743 41.554 40.800 0.019 0.000 1.050 289 D HN 0.528 nan 8.370 nan 0.000 0.491 290 W N 5.330 126.587 121.300 -0.071 0.000 2.301 290 W HA -0.305 4.432 4.660 0.130 0.000 0.325 290 W C 0.946 177.441 176.519 -0.039 0.000 1.250 290 W CA 0.668 57.984 57.345 -0.050 0.000 1.261 290 W CB -0.109 29.275 29.460 -0.127 0.000 1.157 290 W HN 0.382 nan 8.180 nan 0.000 0.473 291 I N 1.445 121.824 120.570 -0.319 0.000 2.185 291 I HA -0.317 3.931 4.170 0.131 0.000 0.246 291 I C 2.322 178.181 176.117 -0.429 0.000 1.088 291 I CA 1.849 62.876 61.300 -0.454 0.000 1.347 291 I CB -1.586 36.306 38.000 -0.180 0.000 1.041 291 I HN 0.103 nan 8.210 nan 0.000 0.415 292 E N -0.666 119.389 120.200 -0.242 0.000 2.158 292 E HA -0.189 4.240 4.350 0.131 0.000 0.191 292 E C 2.114 178.593 176.600 -0.202 0.000 0.982 292 E CA 0.718 57.008 56.400 -0.183 0.000 0.823 292 E CB -0.451 29.202 29.700 -0.078 0.000 0.766 292 E HN 0.532 nan 8.360 nan 0.000 0.468 293 Y N 2.139 122.246 120.300 -0.321 0.000 2.200 293 Y HA -0.139 4.490 4.550 0.131 0.000 0.290 293 Y C 2.380 177.972 175.900 -0.514 0.000 1.137 293 Y CA 1.694 59.634 58.100 -0.267 0.000 1.163 293 Y CB 0.048 38.489 38.460 -0.031 0.000 0.988 293 Y HN -0.107 nan 8.280 nan 0.000 0.518 294 K N 0.176 119.977 120.400 -0.999 0.000 2.097 294 K HA -0.230 4.168 4.320 0.131 0.000 0.206 294 K C 2.435 178.577 176.600 -0.765 0.000 1.049 294 K CA 1.367 56.868 56.287 -1.311 0.000 0.933 294 K CB -0.205 31.145 32.500 -1.917 0.000 0.717 294 K HN 0.249 nan 8.250 nan 0.000 0.442 295 R N 0.238 120.405 120.500 -0.555 0.000 2.096 295 R HA -0.110 4.309 4.340 0.131 0.000 0.235 295 R C 2.230 178.363 176.300 -0.278 0.000 1.127 295 R CA 2.033 57.930 56.100 -0.337 0.000 0.968 295 R CB -0.321 29.830 30.300 -0.249 0.000 0.861 295 R HN 0.432 nan 8.270 nan 0.000 0.440 296 T N -1.252 113.106 114.554 -0.327 0.000 2.867 296 T HA -0.062 4.367 4.350 0.131 0.000 0.268 296 T C 2.004 176.524 174.700 -0.300 0.000 1.057 296 T CA 0.881 62.812 62.100 -0.281 0.000 1.136 296 T CB -0.225 68.465 68.868 -0.297 0.000 0.874 296 T HN 0.177 nan 8.240 nan 0.000 0.466 297 L N 0.529 121.512 121.223 -0.399 0.000 2.056 297 L HA 0.041 4.460 4.340 0.131 0.000 0.207 297 L C 3.037 179.848 176.870 -0.098 0.000 1.078 297 L CA 1.573 56.252 54.840 -0.268 0.000 0.749 297 L CB -0.529 41.390 42.059 -0.234 0.000 0.901 297 L HN 0.276 nan 8.230 nan 0.000 0.433 298 K N 0.372 120.723 120.400 -0.083 0.000 2.032 298 K HA -0.189 4.209 4.320 0.131 0.000 0.209 298 K C 2.023 178.616 176.600 -0.012 0.000 1.048 298 K CA 1.285 57.584 56.287 0.019 0.000 0.927 298 K CB 0.158 32.655 32.500 -0.005 0.000 0.712 298 K HN 0.036 nan 8.250 nan 0.000 0.441 299 K N -0.083 120.281 120.400 -0.059 0.000 2.365 299 K HA -0.032 4.366 4.320 0.131 0.000 0.199 299 K C 1.410 177.990 176.600 -0.033 0.000 1.045 299 K CA 0.934 57.196 56.287 -0.042 0.000 0.962 299 K CB 0.151 32.616 32.500 -0.059 0.000 0.759 299 K HN 0.242 nan 8.250 nan 0.000 0.469 300 A N 0.719 123.506 122.820 -0.055 0.000 2.379 300 A HA 0.085 4.483 4.320 0.131 0.000 0.236 300 A C 0.002 177.580 177.584 -0.010 0.000 1.272 300 A CA -0.048 51.959 52.037 -0.050 0.000 0.886 300 A CB -0.186 18.749 19.000 -0.109 0.000 0.962 300 A HN 0.369 nan 8.150 nan 0.000 0.504 301 E N -1.367 118.848 120.200 0.026 0.000 3.070 301 E HA -0.271 4.158 4.350 0.131 0.000 0.285 301 E C 0.398 177.061 176.600 0.105 0.000 0.972 301 E CA 1.087 57.545 56.400 0.096 0.000 0.915 301 E CB -1.573 28.235 29.700 0.179 0.000 1.466 301 E HN 0.874 nan 8.360 nan 0.000 0.432 302 Q N -0.619 119.165 119.800 -0.027 0.000 2.247 302 Q HA 0.096 4.515 4.340 0.131 0.000 0.211 302 Q C 0.118 176.138 176.000 0.033 0.000 0.861 302 Q CA 0.053 55.783 55.803 -0.123 0.000 0.949 302 Q CB 0.738 29.293 28.738 -0.305 0.000 1.115 302 Q HN 0.328 nan 8.270 nan 0.000 0.507 303 W N 2.050 123.265 121.300 -0.142 0.000 2.604 303 W HA 0.348 5.088 4.660 0.133 0.000 0.302 303 W C -1.830 174.627 176.519 -0.104 0.000 1.013 303 W CA -0.494 56.787 57.345 -0.107 0.000 1.338 303 W CB 0.897 30.305 29.460 -0.087 0.000 1.233 303 W HN -0.057 nan 8.180 nan 0.000 0.390 304 N N 4.757 123.271 118.700 -0.310 0.000 2.443 304 N HA 0.380 5.198 4.740 0.131 0.000 0.269 304 N C -0.948 174.493 175.510 -0.115 0.000 0.985 304 N CA -0.319 52.629 53.050 -0.170 0.000 0.921 304 N CB 2.745 41.071 38.487 -0.269 0.000 1.195 304 N HN -0.012 nan 8.380 nan 0.000 0.492 305 V N 1.388 121.308 119.914 0.010 0.000 2.555 305 V HA 0.404 4.603 4.120 0.131 0.000 0.302 305 V C 0.049 176.188 176.094 0.074 0.000 1.038 305 V CA -0.675 61.651 62.300 0.043 0.000 0.887 305 V CB 2.011 33.896 31.823 0.104 0.000 0.991 305 V HN 0.659 nan 8.190 nan 0.000 0.434 306 E N 3.151 123.392 120.200 0.069 0.000 2.761 306 E HA 0.522 4.950 4.350 0.131 0.000 0.266 306 E C -1.153 175.477 176.600 0.049 0.000 1.097 306 E CA -0.354 56.096 56.400 0.083 0.000 0.773 306 E CB 1.469 31.228 29.700 0.098 0.000 1.453 306 E HN 0.658 nan 8.360 nan 0.000 0.388 307 V N 1.167 121.083 119.914 0.004 0.000 2.769 307 V HA 0.825 5.023 4.120 0.131 0.000 0.312 307 V C -0.658 175.387 176.094 -0.081 0.000 1.058 307 V CA -0.619 61.577 62.300 -0.174 0.000 0.952 307 V CB 0.654 32.401 31.823 -0.126 0.000 1.019 307 V HN 0.509 nan 8.190 nan 0.000 0.445 308 Y N 1.001 121.293 120.300 -0.014 0.000 2.715 308 Y HA 0.886 5.514 4.550 0.131 0.000 0.331 308 Y C -0.447 175.434 175.900 -0.032 0.000 1.197 308 Y CA -1.888 56.193 58.100 -0.032 0.000 1.079 308 Y CB 0.509 38.933 38.460 -0.059 0.000 1.298 308 Y HN 0.822 nan 8.280 nan 0.000 0.477 309 L N 0.000 121.342 121.223 0.199 0.000 2.949 309 L HA 0.000 4.418 4.340 0.131 0.000 0.249 309 L CA 0.000 54.892 54.840 0.087 0.000 0.813 309 L CB 0.000 42.138 42.059 0.132 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502