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 1sie_1_B DATA FIRST_RESID 17 DATA SEQUENCE KACPRPAPVP KLLIKGGMEV LDLVTGPDSV TEIEAFLNPR MGQPPTPESL DATA SEQUENCE TEGGQYYGWS RGINLATSDT EDSPGNNTLP TWSMAKLQLP MLNEDLTCDT DATA SEQUENCE LQMWEAVSVK TEVVGSGSLL DVHGFNKPTD TVNTKGISTP VEGSQYHVFA DATA SEQUENCE VGGEPLDLQG LVTDARTKYK EEGVVTIKTI TKKDMVNKDQ VLNPISKAKL DATA SEQUENCE DKDGMYPVEI WHPDPAKNEN TRYFGNYTGG TTTPPVLQFT NTLTTVLLDE DATA SEQUENCE NGVGPLCKGE GLYLSCVDIM GWRVTRNYDV HHWRGLPRYF KITLRKRWVK DATA SEQUENCE NPYPMASLIS SLFNNMLPQV QGQPMEGENT QVEEVRVYDG TEPVPGDPDM DATA SEQUENCE TRYVDRFGKT KTVFPGN 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.601 176.600 0.002 0.000 0.988 17 K CA 0.000 56.288 56.287 0.002 0.000 0.838 17 K CB 0.000 32.501 32.500 0.002 0.000 1.064 18 A N 1.835 124.657 122.820 0.002 0.000 2.734 18 A HA 0.283 4.603 4.320 -0.000 0.000 0.279 18 A C -0.220 177.365 177.584 0.002 0.000 1.386 18 A CA -0.314 51.724 52.037 0.002 0.000 0.987 18 A CB -1.108 17.893 19.000 0.002 0.000 1.041 18 A HN 0.402 nan 8.150 nan 0.000 0.569 19 C N 2.872 122.173 119.300 0.002 0.000 2.657 19 C HA 0.268 4.728 4.460 -0.000 0.000 0.404 19 C C -1.657 173.334 174.990 0.002 0.000 1.369 19 C CA -1.251 57.768 59.018 0.002 0.000 1.665 19 C CB -0.893 26.848 27.740 0.002 0.000 2.453 19 C HN 0.622 nan 8.230 nan 0.000 0.599 20 P HA -0.133 nan 4.420 nan 0.000 0.261 20 P C -0.217 177.084 177.300 0.002 0.000 1.140 20 P CA 0.803 63.904 63.100 0.002 0.000 0.757 20 P CB 0.377 32.078 31.700 0.002 0.000 0.735 21 R N 4.396 124.897 120.500 0.003 0.000 2.248 21 R HA 0.265 4.605 4.340 -0.000 0.000 0.328 21 R C -1.070 175.232 176.300 0.004 0.000 1.067 21 R CA -1.299 54.803 56.100 0.003 0.000 0.924 21 R CB -0.462 29.840 30.300 0.004 0.000 1.013 21 R HN 0.520 nan 8.270 nan 0.000 0.454 22 P HA 0.031 nan 4.420 nan 0.000 0.272 22 P C -0.371 176.931 177.300 0.004 0.000 1.248 22 P CA -0.409 62.693 63.100 0.003 0.000 0.799 22 P CB 0.444 32.146 31.700 0.003 0.000 0.997 23 A N 1.242 124.065 122.820 0.004 0.000 2.466 23 A HA 0.366 4.686 4.320 -0.000 0.000 0.238 23 A C -1.975 175.612 177.584 0.006 0.000 1.074 23 A CA -0.699 51.341 52.037 0.005 0.000 0.774 23 A CB -1.455 17.548 19.000 0.004 0.000 1.015 23 A HN 0.425 nan 8.150 nan 0.000 0.498 24 P HA 0.501 nan 4.420 nan 0.000 0.297 24 P C -1.070 176.236 177.300 0.010 0.000 1.342 24 P CA -0.222 62.883 63.100 0.009 0.000 0.801 24 P CB 1.295 33.001 31.700 0.010 0.000 0.920 25 V N 4.447 124.367 119.914 0.010 0.000 3.019 25 V HA 0.585 4.704 4.120 -0.000 0.000 0.317 25 V C -1.921 174.180 176.094 0.013 0.000 1.094 25 V CA -1.861 60.446 62.300 0.011 0.000 1.000 25 V CB 1.543 33.372 31.823 0.009 0.000 1.060 25 V HN 0.523 nan 8.190 nan 0.000 0.443 26 P HA 0.267 nan 4.420 nan 0.000 0.279 26 P C -0.992 176.317 177.300 0.016 0.000 1.239 26 P CA -0.535 62.575 63.100 0.017 0.000 0.789 26 P CB 1.105 32.817 31.700 0.020 0.000 0.933 27 K N 2.992 123.402 120.400 0.017 0.000 2.312 27 K HA 0.222 4.542 4.320 -0.000 0.000 0.287 27 K C -0.362 176.248 176.600 0.016 0.000 1.062 27 K CA -0.727 55.569 56.287 0.015 0.000 0.934 27 K CB 0.338 32.847 32.500 0.015 0.000 1.027 27 K HN 0.401 nan 8.250 nan 0.000 0.478 28 L N 6.043 127.274 121.223 0.014 0.000 2.319 28 L HA 0.071 4.411 4.340 -0.000 0.000 0.280 28 L C 0.575 177.453 176.870 0.014 0.000 1.099 28 L CA -0.177 54.672 54.840 0.014 0.000 0.828 28 L CB 0.737 42.803 42.059 0.011 0.000 1.150 28 L HN 0.786 nan 8.230 nan 0.000 0.442 29 L N 5.730 126.963 121.223 0.016 0.000 2.049 29 L HA 0.216 4.556 4.340 -0.000 0.000 0.203 29 L C 0.694 177.571 176.870 0.013 0.000 1.074 29 L CA 1.262 56.111 54.840 0.016 0.000 0.749 29 L CB -0.364 41.708 42.059 0.020 0.000 0.907 29 L HN 0.750 nan 8.230 nan 0.000 0.439 30 I N -1.067 119.510 120.570 0.011 0.000 2.897 30 I HA 0.240 4.410 4.170 -0.000 0.000 0.299 30 I C -1.690 174.431 176.117 0.005 0.000 1.527 30 I CA -0.695 60.610 61.300 0.008 0.000 0.979 30 I CB 2.243 40.248 38.000 0.009 0.000 1.360 30 I HN 0.153 nan 8.210 nan 0.000 0.495 31 K N 4.411 124.813 120.400 0.003 0.000 2.439 31 K HA 1.020 5.340 4.320 -0.000 0.000 0.260 31 K C -0.413 176.187 176.600 -0.000 0.000 1.032 31 K CA -0.180 56.107 56.287 0.001 0.000 0.882 31 K CB 2.343 34.846 32.500 0.004 0.000 1.420 31 K HN 1.103 nan 8.250 nan 0.000 0.455 32 G N -0.474 108.325 108.800 -0.002 0.000 2.292 32 G HA2 0.299 4.259 3.960 -0.000 0.000 0.194 32 G HA3 0.299 4.259 3.960 -0.000 0.000 0.194 32 G C -0.549 174.346 174.900 -0.008 0.000 1.329 32 G CA -0.477 44.622 45.100 -0.002 0.000 1.100 32 G HN 0.910 nan 8.290 nan 0.000 0.470 33 G N -1.262 107.531 108.800 -0.012 0.000 2.532 33 G HA2 0.515 4.475 3.960 -0.000 0.000 0.291 33 G HA3 0.515 4.475 3.960 -0.000 0.000 0.291 33 G C 1.379 176.257 174.900 -0.037 0.000 1.349 33 G CA 0.274 45.360 45.100 -0.022 0.000 1.038 33 G HN 0.497 nan 8.290 nan 0.000 0.518 34 M N 0.564 120.133 119.600 -0.052 0.000 2.116 34 M HA -0.163 4.317 4.480 -0.000 0.000 0.255 34 M C 2.598 178.870 176.300 -0.047 0.000 1.075 34 M CA 1.831 57.090 55.300 -0.067 0.000 1.087 34 M CB -1.189 31.364 32.600 -0.078 0.000 1.340 34 M HN 0.814 nan 8.290 nan 0.000 0.402 35 E N 0.393 120.574 120.200 -0.031 0.000 2.147 35 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 35 E C 2.009 178.603 176.600 -0.009 0.000 1.005 35 E CA 1.768 58.158 56.400 -0.016 0.000 0.810 35 E CB -1.458 28.235 29.700 -0.011 0.000 0.736 35 E HN 0.386 nan 8.360 nan 0.000 0.460 36 V N 1.321 121.227 119.914 -0.013 0.000 2.370 36 V HA -0.290 3.830 4.120 -0.000 0.000 0.252 36 V C 2.600 178.695 176.094 0.002 0.000 1.068 36 V CA 1.811 64.107 62.300 -0.006 0.000 1.061 36 V CB -0.677 31.139 31.823 -0.013 0.000 0.656 36 V HN 0.145 nan 8.190 nan 0.000 0.455 37 L N 0.019 121.236 121.223 -0.010 0.000 2.013 37 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 37 L C 2.191 179.095 176.870 0.057 0.000 1.073 37 L CA 2.061 56.907 54.840 0.011 0.000 0.753 37 L CB -1.257 40.786 42.059 -0.025 0.000 0.890 37 L HN 0.337 nan 8.230 nan 0.000 0.432 38 D N -0.499 119.923 120.400 0.036 0.000 2.200 38 D HA -0.198 4.442 4.640 -0.000 0.000 0.192 38 D C 1.065 177.391 176.300 0.042 0.000 1.008 38 D CA 0.874 54.897 54.000 0.039 0.000 0.872 38 D CB -0.491 40.321 40.800 0.020 0.000 0.923 38 D HN 0.147 nan 8.370 nan 0.000 0.447 39 L N 1.141 122.385 121.223 0.036 0.000 2.540 39 L HA 0.009 4.349 4.340 -0.000 0.000 0.276 39 L C -0.272 176.626 176.870 0.046 0.000 1.212 39 L CA -0.124 54.736 54.840 0.034 0.000 0.893 39 L CB 0.569 42.645 42.059 0.028 0.000 1.138 39 L HN -0.222 nan 8.230 nan 0.000 0.491 40 V N 6.203 126.138 119.914 0.034 0.000 2.557 40 V HA -0.015 4.105 4.120 -0.000 0.000 0.301 40 V C 1.476 177.593 176.094 0.038 0.000 1.026 40 V CA 0.922 63.240 62.300 0.030 0.000 1.137 40 V CB 0.277 32.110 31.823 0.017 0.000 0.917 40 V HN 1.115 nan 8.190 nan 0.000 0.484 41 T N 1.754 116.336 114.554 0.047 0.000 2.925 41 T HA 0.487 4.837 4.350 -0.000 0.000 0.245 41 T C 1.030 175.751 174.700 0.034 0.000 1.025 41 T CA 0.615 62.750 62.100 0.059 0.000 1.149 41 T CB 0.202 69.139 68.868 0.116 0.000 0.866 41 T HN 1.409 nan 8.240 nan 0.000 0.437 42 G N 2.061 110.866 108.800 0.009 0.000 2.250 42 G HA2 0.124 4.084 3.960 -0.000 0.000 0.189 42 G HA3 0.124 4.084 3.960 -0.000 0.000 0.189 42 G C -2.336 172.552 174.900 -0.019 0.000 1.298 42 G CA 0.016 45.120 45.100 0.006 0.000 1.246 42 G HN 0.381 nan 8.290 nan 0.000 0.513 43 P HA 0.280 nan 4.420 nan 0.000 0.411 43 P C 0.180 177.471 177.300 -0.014 0.000 1.133 43 P CA 0.862 63.941 63.100 -0.035 0.000 1.549 43 P CB 1.444 33.161 31.700 0.028 0.000 1.380 44 D N 0.542 120.957 120.400 0.025 0.000 2.355 44 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 44 D C 0.337 176.669 176.300 0.054 0.000 1.010 44 D CA 0.514 54.538 54.000 0.040 0.000 0.875 44 D CB -0.093 40.733 40.800 0.044 0.000 0.966 44 D HN 0.107 nan 8.370 nan 0.000 0.512 45 S N 1.548 117.281 115.700 0.055 0.000 3.298 45 S HA 0.041 4.511 4.470 -0.000 0.000 0.389 45 S C 0.431 175.100 174.600 0.116 0.000 1.186 45 S CA -0.238 58.007 58.200 0.076 0.000 1.034 45 S CB 0.044 63.291 63.200 0.079 0.000 0.735 45 S HN 0.009 nan 8.310 nan 0.000 0.510 46 V N 2.764 122.729 119.914 0.085 0.000 2.850 46 V HA 0.725 4.845 4.120 -0.000 0.000 0.315 46 V C 0.397 176.512 176.094 0.034 0.000 1.064 46 V CA -0.925 61.421 62.300 0.077 0.000 0.979 46 V CB 1.772 33.627 31.823 0.053 0.000 1.039 46 V HN 0.952 nan 8.190 nan 0.000 0.452 47 T N 2.068 116.612 114.554 -0.017 0.000 2.848 47 T HA 0.531 4.881 4.350 -0.000 0.000 0.285 47 T C -0.750 173.893 174.700 -0.096 0.000 0.995 47 T CA -0.584 61.460 62.100 -0.092 0.000 0.970 47 T CB 1.648 70.369 68.868 -0.245 0.000 0.976 47 T HN 0.753 nan 8.240 nan 0.000 0.441 48 E N 2.243 122.398 120.200 -0.074 0.000 2.176 48 E HA 0.498 4.848 4.350 -0.000 0.000 0.267 48 E C -0.807 175.746 176.600 -0.078 0.000 0.893 48 E CA -0.605 55.761 56.400 -0.056 0.000 0.761 48 E CB 1.771 31.463 29.700 -0.014 0.000 1.133 48 E HN 0.522 nan 8.360 nan 0.000 0.409 49 I N 2.837 123.349 120.570 -0.097 0.000 2.410 49 I HA 0.242 4.412 4.170 -0.000 0.000 0.286 49 I C -0.547 175.497 176.117 -0.122 0.000 1.009 49 I CA -0.712 60.518 61.300 -0.116 0.000 1.111 49 I CB 1.582 39.485 38.000 -0.161 0.000 1.262 49 I HN 0.340 nan 8.210 nan 0.000 0.443 50 E N 5.006 125.141 120.200 -0.110 0.000 2.197 50 E HA 0.791 5.141 4.350 -0.000 0.000 0.281 50 E C -0.458 176.058 176.600 -0.139 0.000 0.995 50 E CA -0.216 56.061 56.400 -0.205 0.000 0.808 50 E CB 2.006 31.683 29.700 -0.038 0.000 1.093 50 E HN 0.729 nan 8.360 nan 0.000 0.394 51 A N 2.248 124.960 122.820 -0.181 0.000 2.524 51 A HA 0.860 5.180 4.320 -0.000 0.000 0.303 51 A C -1.700 176.012 177.584 0.214 0.000 1.195 51 A CA -0.786 51.245 52.037 -0.009 0.000 0.651 51 A CB 0.923 19.813 19.000 -0.184 0.000 1.323 51 A HN 0.590 nan 8.150 nan 0.000 0.479 52 F N -2.560 117.404 119.950 0.023 0.000 2.770 52 F HA 0.772 5.299 4.527 -0.000 0.000 0.313 52 F C -2.318 173.539 175.800 0.095 0.000 1.154 52 F CA -1.203 56.919 58.000 0.205 0.000 0.923 52 F CB 0.605 39.718 39.000 0.189 0.000 1.301 52 F HN 0.413 nan 8.300 nan 0.000 0.449 53 L N 2.329 123.775 121.223 0.371 0.000 2.346 53 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 53 L C -0.417 176.661 176.870 0.346 0.000 1.007 53 L CA -0.959 53.980 54.840 0.167 0.000 0.818 53 L CB 1.561 43.703 42.059 0.138 0.000 1.284 53 L HN 0.792 nan 8.230 nan 0.000 0.424 54 N N 2.921 121.772 118.700 0.253 0.000 2.493 54 N HA 0.445 5.185 4.740 -0.000 0.000 0.275 54 N C -2.405 173.161 175.510 0.092 0.000 1.186 54 N CA -1.123 52.049 53.050 0.203 0.000 0.978 54 N CB 0.952 39.562 38.487 0.204 0.000 1.184 54 N HN 0.386 nan 8.380 nan 0.000 0.487 55 P HA 0.189 nan 4.420 nan 0.000 0.286 55 P C -1.385 175.874 177.300 -0.068 0.000 1.321 55 P CA 0.035 63.109 63.100 -0.042 0.000 0.790 55 P CB 0.483 32.120 31.700 -0.106 0.000 0.897 56 R N 5.040 125.534 120.500 -0.010 0.000 2.287 56 R HA 0.487 4.827 4.340 -0.000 0.000 0.316 56 R C 0.201 176.493 176.300 -0.013 0.000 1.050 56 R CA -0.334 55.777 56.100 0.018 0.000 0.983 56 R CB 0.786 31.138 30.300 0.087 0.000 1.140 56 R HN 0.534 nan 8.270 nan 0.000 0.528 57 M N 0.533 120.107 119.600 -0.044 0.000 2.090 57 M HA 0.529 5.009 4.480 -0.000 0.000 0.277 57 M C 0.107 176.398 176.300 -0.015 0.000 0.935 57 M CA -0.523 54.717 55.300 -0.100 0.000 0.966 57 M CB 1.771 34.224 32.600 -0.244 0.000 1.635 57 M HN 0.613 nan 8.290 nan 0.000 0.446 58 G N 3.202 112.017 108.800 0.026 0.000 2.728 58 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.269 58 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.269 58 G C -0.281 174.706 174.900 0.145 0.000 1.334 58 G CA 0.461 45.617 45.100 0.093 0.000 0.974 58 G HN 1.020 nan 8.290 nan 0.000 0.550 59 Q N 4.398 124.321 119.800 0.205 0.000 2.239 59 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 59 Q C -1.624 174.558 176.000 0.304 0.000 1.102 59 Q CA -0.512 55.444 55.803 0.256 0.000 0.936 59 Q CB 0.804 29.760 28.738 0.363 0.000 1.127 59 Q HN 0.599 nan 8.270 nan 0.000 0.380 60 P HA 0.205 nan 4.420 nan 0.000 0.281 60 P C -2.291 175.032 177.300 0.039 0.000 1.264 60 P CA -1.536 61.679 63.100 0.191 0.000 0.824 60 P CB 1.217 32.976 31.700 0.100 0.000 1.092 61 P HA -0.320 nan 4.420 nan 0.000 0.211 61 P C 1.554 178.623 177.300 -0.385 0.000 1.181 61 P CA 3.038 65.691 63.100 -0.745 0.000 0.929 61 P CB -1.243 30.212 31.700 -0.407 0.000 0.789 62 T N -1.651 112.792 114.554 -0.185 0.000 2.802 62 T HA -0.195 4.155 4.350 -0.000 0.000 0.240 62 T C -1.403 173.246 174.700 -0.086 0.000 1.158 62 T CA 2.023 64.062 62.100 -0.102 0.000 1.120 62 T CB -3.038 65.801 68.868 -0.048 0.000 0.809 62 T HN 0.202 nan 8.240 nan 0.000 0.494 63 P HA 0.383 nan 4.420 nan 0.000 0.244 63 P C 0.369 177.625 177.300 -0.073 0.000 1.769 63 P CA -0.228 62.843 63.100 -0.049 0.000 1.102 63 P CB -0.000 31.689 31.700 -0.019 0.000 1.937 64 E N -0.116 120.037 120.200 -0.079 0.000 2.273 64 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 64 E C 0.776 177.348 176.600 -0.046 0.000 1.002 64 E CA 0.738 57.092 56.400 -0.077 0.000 0.828 64 E CB 0.066 29.731 29.700 -0.057 0.000 0.747 64 E HN 0.304 nan 8.360 nan 0.000 0.491 65 S N -0.004 115.672 115.700 -0.039 0.000 2.548 65 S HA 0.122 4.592 4.470 -0.000 0.000 0.277 65 S C 0.873 175.445 174.600 -0.046 0.000 1.315 65 S CA -0.551 57.630 58.200 -0.031 0.000 1.050 65 S CB 0.536 63.721 63.200 -0.025 0.000 0.918 65 S HN 0.172 nan 8.310 nan 0.000 0.497 66 L N 4.136 125.334 121.223 -0.042 0.000 2.650 66 L HA 0.089 4.429 4.340 -0.000 0.000 0.235 66 L C 2.013 178.820 176.870 -0.104 0.000 1.149 66 L CA 0.451 55.249 54.840 -0.070 0.000 0.887 66 L CB -1.452 40.589 42.059 -0.030 0.000 1.021 66 L HN 0.792 nan 8.230 nan 0.000 0.441 67 T N -4.027 110.483 114.554 -0.073 0.000 3.111 67 T HA 0.037 4.387 4.350 -0.000 0.000 0.236 67 T C 1.561 176.226 174.700 -0.059 0.000 0.984 67 T CA 0.035 62.099 62.100 -0.061 0.000 1.195 67 T CB -0.063 68.789 68.868 -0.027 0.000 0.929 67 T HN 0.231 nan 8.240 nan 0.000 0.431 68 E N 1.432 121.608 120.200 -0.039 0.000 2.106 68 E HA 0.079 4.429 4.350 -0.000 0.000 0.192 68 E C 2.083 178.676 176.600 -0.010 0.000 0.984 68 E CA 0.925 57.316 56.400 -0.015 0.000 0.806 68 E CB -0.253 29.443 29.700 -0.007 0.000 0.750 68 E HN 0.664 nan 8.360 nan 0.000 0.458 69 G N -0.103 108.668 108.800 -0.049 0.000 3.277 69 G HA2 0.212 4.172 3.960 -0.000 0.000 0.243 69 G HA3 0.212 4.172 3.960 -0.000 0.000 0.243 69 G C 1.049 175.797 174.900 -0.254 0.000 1.107 69 G CA 0.058 45.139 45.100 -0.031 0.000 0.771 69 G HN 0.321 nan 8.290 nan 0.000 0.544 70 G N 0.462 109.045 108.800 -0.361 0.000 2.352 70 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.295 70 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.295 70 G C 0.597 174.968 174.900 -0.880 0.000 0.991 70 G CA 0.623 45.305 45.100 -0.696 0.000 0.796 70 G HN 0.537 nan 8.290 nan 0.000 0.511 71 Q N -2.342 117.213 119.800 -0.408 0.000 2.394 71 Q HA -0.219 4.121 4.340 -0.000 0.000 0.369 71 Q C 0.195 176.196 176.000 0.003 0.000 1.312 71 Q CA 0.998 56.727 55.803 -0.124 0.000 1.155 71 Q CB -1.536 27.223 28.738 0.036 0.000 1.311 71 Q HN 0.764 nan 8.270 nan 0.000 0.315 72 Y N -0.576 119.878 120.300 0.257 0.000 2.683 72 Y HA 0.125 4.675 4.550 -0.000 0.000 0.297 72 Y C 0.319 176.542 175.900 0.538 0.000 1.147 72 Y CA -1.177 57.111 58.100 0.312 0.000 1.274 72 Y CB 0.001 38.527 38.460 0.111 0.000 1.143 72 Y HN 0.352 nan 8.280 nan 0.000 0.527 73 Y N 1.557 122.101 120.300 0.407 0.000 2.610 73 Y HA 0.363 4.913 4.550 -0.000 0.000 0.332 73 Y C 1.234 177.298 175.900 0.274 0.000 1.201 73 Y CA 0.431 58.702 58.100 0.284 0.000 1.465 73 Y CB 0.446 39.006 38.460 0.167 0.000 1.283 73 Y HN 0.481 nan 8.280 nan 0.000 0.563 74 G N 4.856 113.580 108.800 -0.127 0.000 2.324 74 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.292 74 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.292 74 G C -0.772 174.037 174.900 -0.152 0.000 1.079 74 G CA 0.132 45.014 45.100 -0.363 0.000 1.026 74 G HN 0.575 nan 8.290 nan 0.000 0.506 75 W N -0.795 120.556 121.300 0.085 0.000 3.363 75 W HA 0.518 5.178 4.660 -0.000 0.000 0.306 75 W C 0.106 176.709 176.519 0.140 0.000 1.253 75 W CA -0.976 56.462 57.345 0.154 0.000 1.195 75 W CB 1.492 31.101 29.460 0.248 0.000 1.366 75 W HN 0.236 nan 8.180 nan 0.000 0.551 76 S N 2.678 118.698 115.700 0.532 0.000 2.531 76 S HA 0.099 4.569 4.470 -0.000 0.000 0.279 76 S C 1.039 175.776 174.600 0.228 0.000 1.305 76 S CA -0.380 58.060 58.200 0.401 0.000 1.058 76 S CB 1.970 65.655 63.200 0.809 0.000 0.899 76 S HN 0.445 nan 8.310 nan 0.000 0.493 77 R N 2.964 123.515 120.500 0.085 0.000 2.177 77 R HA 0.053 4.393 4.340 -0.000 0.000 0.221 77 R C 1.064 177.056 176.300 -0.513 0.000 1.110 77 R CA 1.964 57.944 56.100 -0.199 0.000 0.875 77 R CB -0.884 29.382 30.300 -0.056 0.000 0.810 77 R HN 0.810 nan 8.270 nan 0.000 0.437 78 G N -1.904 106.808 108.800 -0.147 0.000 3.022 78 G HA2 0.523 4.483 3.960 -0.000 0.000 0.284 78 G HA3 0.523 4.483 3.960 -0.000 0.000 0.284 78 G C -1.303 173.683 174.900 0.143 0.000 1.375 78 G CA -0.633 44.472 45.100 0.008 0.000 0.902 78 G HN 0.156 nan 8.290 nan 0.000 0.538 79 I N 1.814 122.456 120.570 0.120 0.000 2.428 79 I HA 0.242 4.412 4.170 -0.000 0.000 0.279 79 I C -0.004 176.125 176.117 0.020 0.000 1.040 79 I CA -0.838 60.495 61.300 0.055 0.000 1.171 79 I CB 0.681 38.644 38.000 -0.062 0.000 1.312 79 I HN 0.534 nan 8.210 nan 0.000 0.470 80 N N 6.680 125.409 118.700 0.048 0.000 2.406 80 N HA 0.146 4.886 4.740 -0.000 0.000 0.274 80 N C -0.037 175.478 175.510 0.008 0.000 1.249 80 N CA -0.165 52.905 53.050 0.034 0.000 0.951 80 N CB 0.896 39.419 38.487 0.059 0.000 1.241 80 N HN 0.518 nan 8.380 nan 0.000 0.485 81 L N 2.179 123.391 121.223 -0.018 0.000 2.598 81 L HA 0.432 4.772 4.340 -0.000 0.000 0.202 81 L C 0.461 177.313 176.870 -0.030 0.000 1.190 81 L CA -0.425 54.391 54.840 -0.040 0.000 0.869 81 L CB 0.397 42.421 42.059 -0.058 0.000 1.529 81 L HN 0.540 nan 8.230 nan 0.000 0.520 82 A N -1.078 121.718 122.820 -0.041 0.000 2.401 82 A HA 0.423 4.743 4.320 -0.000 0.000 0.310 82 A C 0.484 178.046 177.584 -0.037 0.000 1.075 82 A CA -0.364 51.650 52.037 -0.038 0.000 0.746 82 A CB 1.420 20.392 19.000 -0.047 0.000 1.277 82 A HN 0.725 nan 8.150 nan 0.000 0.425 83 T N 0.437 114.972 114.554 -0.031 0.000 2.624 83 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 83 T C 0.857 175.538 174.700 -0.031 0.000 1.041 83 T CA 2.350 64.433 62.100 -0.028 0.000 1.159 83 T CB -0.201 68.653 68.868 -0.024 0.000 0.863 83 T HN 1.477 nan 8.240 nan 0.000 0.434 84 S N -2.004 113.676 115.700 -0.034 0.000 2.735 84 S HA 0.113 4.583 4.470 -0.000 0.000 0.279 84 S C -0.040 174.538 174.600 -0.036 0.000 0.989 84 S CA 0.245 58.425 58.200 -0.034 0.000 0.883 84 S CB 0.282 63.464 63.200 -0.029 0.000 1.117 84 S HN 0.293 nan 8.310 nan 0.000 0.458 85 D N 1.139 121.518 120.400 -0.035 0.000 4.399 85 D HA -0.246 4.394 4.640 -0.000 0.000 0.192 85 D C 1.587 177.865 176.300 -0.037 0.000 1.389 85 D CA 3.076 57.055 54.000 -0.035 0.000 0.883 85 D CB -0.017 40.765 40.800 -0.029 0.000 0.872 85 D HN 0.541 nan 8.370 nan 0.000 0.589 86 T N -1.460 113.075 114.554 -0.033 0.000 2.770 86 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 86 T C 0.552 175.228 174.700 -0.039 0.000 1.039 86 T CA 1.054 63.134 62.100 -0.032 0.000 1.142 86 T CB -0.074 68.778 68.868 -0.026 0.000 0.868 86 T HN 0.247 nan 8.240 nan 0.000 0.435 87 E N 1.133 121.310 120.200 -0.039 0.000 2.145 87 E HA 0.277 4.627 4.350 -0.000 0.000 0.262 87 E C -1.799 174.771 176.600 -0.051 0.000 0.883 87 E CA -0.538 55.836 56.400 -0.043 0.000 0.748 87 E CB 0.889 30.570 29.700 -0.031 0.000 1.140 87 E HN 0.155 nan 8.360 nan 0.000 0.417 88 D N 3.389 123.747 120.400 -0.071 0.000 2.446 88 D HA 0.153 4.793 4.640 -0.000 0.000 0.251 88 D C -1.574 174.666 176.300 -0.100 0.000 1.137 88 D CA -0.267 53.683 54.000 -0.084 0.000 0.890 88 D CB 1.219 41.954 40.800 -0.110 0.000 1.071 88 D HN 0.207 nan 8.370 nan 0.000 0.528 89 S N 3.980 119.647 115.700 -0.056 0.000 2.449 89 S HA 0.780 5.250 4.470 -0.000 0.000 0.310 89 S C -2.853 171.750 174.600 0.005 0.000 1.096 89 S CA -1.366 56.814 58.200 -0.034 0.000 1.095 89 S CB 1.285 64.481 63.200 -0.007 0.000 1.007 89 S HN 0.213 nan 8.310 nan 0.000 0.474 90 P HA 0.437 nan 4.420 nan 0.000 0.298 90 P C -0.193 177.186 177.300 0.131 0.000 1.334 90 P CA -0.393 62.772 63.100 0.108 0.000 0.942 90 P CB 1.295 33.108 31.700 0.189 0.000 1.162 91 G N 1.143 110.015 108.800 0.121 0.000 2.606 91 G HA2 0.013 3.973 3.960 -0.000 0.000 0.252 91 G HA3 0.013 3.973 3.960 -0.000 0.000 0.252 91 G C 0.573 175.551 174.900 0.129 0.000 1.206 91 G CA -0.306 44.860 45.100 0.110 0.000 0.861 91 G HN 0.380 nan 8.290 nan 0.000 0.561 92 N N 0.290 119.053 118.700 0.105 0.000 2.515 92 N HA -0.024 4.716 4.740 -0.000 0.000 0.191 92 N C 0.841 176.408 175.510 0.094 0.000 1.182 92 N CA 0.191 53.299 53.050 0.096 0.000 0.879 92 N CB 0.134 38.665 38.487 0.074 0.000 0.984 92 N HN 0.618 nan 8.380 nan 0.000 0.453 93 N N -1.969 116.798 118.700 0.110 0.000 2.240 93 N HA 0.087 4.827 4.740 -0.000 0.000 0.240 93 N C -0.319 175.292 175.510 0.168 0.000 1.277 93 N CA 0.025 53.145 53.050 0.116 0.000 0.873 93 N CB 0.671 39.219 38.487 0.101 0.000 1.222 93 N HN -0.121 nan 8.380 nan 0.000 0.507 94 T N 1.027 115.704 114.554 0.204 0.000 3.266 94 T HA 0.366 4.716 4.350 -0.000 0.000 0.278 94 T C 0.016 174.926 174.700 0.351 0.000 1.010 94 T CA -0.028 62.277 62.100 0.341 0.000 0.909 94 T CB 0.237 69.259 68.868 0.257 0.000 1.122 94 T HN 0.118 nan 8.240 nan 0.000 0.536 95 L N 3.068 124.391 121.223 0.167 0.000 2.514 95 L HA 0.335 4.675 4.340 -0.000 0.000 0.257 95 L C -2.592 174.223 176.870 -0.093 0.000 1.101 95 L CA -2.079 52.799 54.840 0.063 0.000 0.911 95 L CB 2.139 44.256 42.059 0.097 0.000 1.162 95 L HN -0.128 nan 8.230 nan 0.000 0.477 96 P HA 0.076 nan 4.420 nan 0.000 0.263 96 P C -0.605 176.571 177.300 -0.207 0.000 1.195 96 P CA 0.135 63.008 63.100 -0.378 0.000 0.762 96 P CB 0.624 31.877 31.700 -0.745 0.000 0.799 97 T N 0.813 115.303 114.554 -0.107 0.000 2.856 97 T HA 0.283 4.633 4.350 -0.000 0.000 0.283 97 T C -0.432 174.312 174.700 0.072 0.000 1.008 97 T CA -0.766 61.354 62.100 0.032 0.000 0.997 97 T CB 0.613 69.529 68.868 0.080 0.000 0.992 97 T HN 0.196 nan 8.240 nan 0.000 0.454 98 W N 2.634 123.959 121.300 0.041 0.000 2.443 98 W HA 0.227 4.887 4.660 -0.000 0.000 0.335 98 W C 0.442 176.994 176.519 0.055 0.000 1.382 98 W CA 0.401 57.776 57.345 0.050 0.000 1.305 98 W CB 0.006 29.482 29.460 0.027 0.000 1.283 98 W HN 0.595 nan 8.180 nan 0.000 0.567 99 S N 5.337 121.190 115.700 0.255 0.000 2.525 99 S HA 0.743 5.213 4.470 -0.000 0.000 0.278 99 S C -0.132 174.604 174.600 0.228 0.000 1.234 99 S CA -0.864 57.450 58.200 0.191 0.000 1.058 99 S CB 1.165 64.441 63.200 0.126 0.000 0.983 99 S HN 0.433 nan 8.310 nan 0.000 0.495 100 M N 1.055 120.738 119.600 0.138 0.000 3.084 100 M HA 0.932 5.412 4.480 -0.000 0.000 0.273 100 M C -1.603 174.691 176.300 -0.011 0.000 1.242 100 M CA -0.746 54.601 55.300 0.078 0.000 0.819 100 M CB 0.788 33.448 32.600 0.101 0.000 1.625 100 M HN 0.815 nan 8.290 nan 0.000 0.493 101 A N 0.131 122.915 122.820 -0.061 0.000 2.515 101 A HA 0.804 5.124 4.320 -0.000 0.000 0.292 101 A C -2.074 175.408 177.584 -0.169 0.000 1.065 101 A CA -0.582 51.383 52.037 -0.120 0.000 0.641 101 A CB 1.190 20.081 19.000 -0.182 0.000 1.306 101 A HN 1.138 nan 8.150 nan 0.000 0.441 102 K N 1.132 121.384 120.400 -0.247 0.000 2.482 102 K HA 0.625 4.945 4.320 -0.000 0.000 0.251 102 K C -1.601 174.785 176.600 -0.358 0.000 0.936 102 K CA -0.692 55.336 56.287 -0.431 0.000 0.791 102 K CB 1.264 33.343 32.500 -0.702 0.000 1.213 102 K HN 0.570 nan 8.250 nan 0.000 0.428 103 L N 3.541 124.549 121.223 -0.358 0.000 2.292 103 L HA 0.290 4.630 4.340 -0.000 0.000 0.284 103 L C -0.112 176.606 176.870 -0.253 0.000 1.065 103 L CA -0.389 54.286 54.840 -0.275 0.000 0.806 103 L CB 1.209 43.112 42.059 -0.259 0.000 1.175 103 L HN 0.754 nan 8.230 nan 0.000 0.431 104 Q N 2.845 122.530 119.800 -0.191 0.000 2.303 104 Q HA 0.493 4.833 4.340 -0.000 0.000 0.257 104 Q C -1.129 174.809 176.000 -0.104 0.000 0.941 104 Q CA -0.262 55.458 55.803 -0.138 0.000 0.931 104 Q CB 1.336 30.012 28.738 -0.103 0.000 1.215 104 Q HN 0.397 nan 8.270 nan 0.000 0.437 105 L N 6.055 127.244 121.223 -0.056 0.000 2.332 105 L HA 0.674 5.014 4.340 -0.000 0.000 0.269 105 L C -1.990 174.996 176.870 0.194 0.000 1.016 105 L CA -2.096 52.747 54.840 0.005 0.000 0.809 105 L CB 1.177 43.160 42.059 -0.127 0.000 1.280 105 L HN 0.638 nan 8.230 nan 0.000 0.447 106 P HA 0.212 nan 4.420 nan 0.000 0.274 106 P C -1.029 176.400 177.300 0.216 0.000 1.264 106 P CA -0.122 63.140 63.100 0.270 0.000 0.795 106 P CB 0.413 32.306 31.700 0.323 0.000 1.064 107 M N 0.180 119.811 119.600 0.050 0.000 2.436 107 M HA 0.338 4.818 4.480 -0.000 0.000 0.331 107 M C -0.528 175.675 176.300 -0.162 0.000 1.135 107 M CA -0.658 54.607 55.300 -0.058 0.000 0.987 107 M CB 1.074 33.655 32.600 -0.032 0.000 1.687 107 M HN 0.073 nan 8.290 nan 0.000 0.445 108 L N 1.248 122.295 121.223 -0.293 0.000 2.687 108 L HA 0.564 4.904 4.340 -0.000 0.000 0.252 108 L C 0.249 176.976 176.870 -0.238 0.000 1.115 108 L CA -0.637 53.984 54.840 -0.365 0.000 0.893 108 L CB 0.320 41.993 42.059 -0.644 0.000 1.670 108 L HN 0.585 nan 8.230 nan 0.000 0.531 109 N N -0.542 118.011 118.700 -0.246 0.000 2.413 109 N HA 0.411 5.151 4.740 -0.000 0.000 0.266 109 N C -0.664 174.848 175.510 0.002 0.000 1.238 109 N CA -0.510 52.485 53.050 -0.091 0.000 0.972 109 N CB 0.796 39.279 38.487 -0.007 0.000 1.210 109 N HN 0.453 nan 8.380 nan 0.000 0.547 110 E N -0.869 119.393 120.200 0.103 0.000 2.370 110 E HA 0.442 4.792 4.350 -0.000 0.000 0.259 110 E C -1.278 175.421 176.600 0.164 0.000 0.947 110 E CA -0.498 55.991 56.400 0.148 0.000 0.809 110 E CB 1.521 31.262 29.700 0.068 0.000 1.300 110 E HN 0.552 nan 8.360 nan 0.000 0.419 111 D N 0.458 120.918 120.400 0.099 0.000 3.443 111 D HA 0.111 4.751 4.640 -0.000 0.000 0.243 111 D C 0.042 176.344 176.300 0.003 0.000 1.446 111 D CA 0.087 54.102 54.000 0.025 0.000 0.880 111 D CB -0.103 40.665 40.800 -0.053 0.000 1.470 111 D HN 0.338 nan 8.370 nan 0.000 0.658 112 L N 0.061 121.294 121.223 0.016 0.000 2.263 112 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 112 L C 2.201 179.068 176.870 -0.005 0.000 1.111 112 L CA 1.364 56.210 54.840 0.010 0.000 0.773 112 L CB -0.872 41.197 42.059 0.017 0.000 0.906 112 L HN 0.370 nan 8.230 nan 0.000 0.439 113 T N -0.905 113.640 114.554 -0.015 0.000 2.607 113 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 113 T C 1.583 176.258 174.700 -0.042 0.000 1.049 113 T CA 1.868 63.952 62.100 -0.027 0.000 1.162 113 T CB -0.446 68.399 68.868 -0.037 0.000 0.863 113 T HN 0.461 nan 8.240 nan 0.000 0.424 114 C N 1.148 120.409 119.300 -0.065 0.000 2.693 114 C HA 0.313 4.773 4.460 -0.000 0.000 0.286 114 C C 0.893 175.842 174.990 -0.067 0.000 1.277 114 C CA -1.055 57.911 59.018 -0.086 0.000 1.705 114 C CB -1.519 26.131 27.740 -0.151 0.000 1.879 114 C HN 0.684 nan 8.230 nan 0.000 0.607 115 D N 1.407 121.784 120.400 -0.038 0.000 2.692 115 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 115 D C 0.079 176.371 176.300 -0.014 0.000 1.172 115 D CA 1.324 55.313 54.000 -0.018 0.000 0.636 115 D CB -0.563 40.226 40.800 -0.019 0.000 1.028 115 D HN 0.533 nan 8.370 nan 0.000 0.419 116 T N -0.609 113.943 114.554 -0.002 0.000 2.900 116 T HA 0.694 5.044 4.350 -0.000 0.000 0.295 116 T C -1.208 173.634 174.700 0.236 0.000 1.044 116 T CA -0.829 61.302 62.100 0.051 0.000 0.995 116 T CB 0.780 69.606 68.868 -0.070 0.000 1.072 116 T HN 0.194 nan 8.240 nan 0.000 0.473 117 L N 2.178 123.607 121.223 0.343 0.000 2.359 117 L HA 0.704 5.044 4.340 -0.000 0.000 0.256 117 L C -0.487 176.495 176.870 0.186 0.000 1.026 117 L CA -1.225 53.826 54.840 0.352 0.000 0.828 117 L CB 1.083 43.195 42.059 0.089 0.000 1.406 117 L HN 0.763 nan 8.230 nan 0.000 0.413 118 Q N 0.605 120.162 119.800 -0.406 0.000 2.266 118 Q HA 0.881 5.221 4.340 -0.000 0.000 0.261 118 Q C -1.275 174.446 176.000 -0.466 0.000 0.985 118 Q CA -0.726 54.629 55.803 -0.746 0.000 0.873 118 Q CB 2.476 30.282 28.738 -1.554 0.000 1.306 118 Q HN 0.715 nan 8.270 nan 0.000 0.447 119 M N 0.563 119.949 119.600 -0.356 0.000 2.658 119 M HA 0.425 4.905 4.480 -0.000 0.000 0.295 119 M C -1.391 174.796 176.300 -0.190 0.000 1.248 119 M CA -0.699 54.450 55.300 -0.251 0.000 0.843 119 M CB 2.092 34.644 32.600 -0.080 0.000 1.749 119 M HN 0.624 nan 8.290 nan 0.000 0.464 120 W N 1.743 122.999 121.300 -0.073 0.000 2.529 120 W HA 0.166 4.826 4.660 -0.000 0.000 0.319 120 W C 0.316 176.817 176.519 -0.030 0.000 1.362 120 W CA -0.008 57.303 57.345 -0.057 0.000 1.348 120 W CB 0.309 29.742 29.460 -0.045 0.000 1.403 120 W HN 0.410 nan 8.180 nan 0.000 0.519 121 E N 3.332 123.712 120.200 0.300 0.000 2.114 121 E HA 0.411 4.761 4.350 -0.000 0.000 0.266 121 E C -0.535 176.151 176.600 0.143 0.000 0.896 121 E CA -0.451 56.050 56.400 0.167 0.000 0.750 121 E CB 1.192 30.955 29.700 0.105 0.000 1.121 121 E HN 0.473 nan 8.360 nan 0.000 0.413 122 A N 3.308 126.195 122.820 0.112 0.000 2.371 122 A HA 0.360 4.680 4.320 -0.000 0.000 0.257 122 A C 0.647 178.283 177.584 0.088 0.000 1.089 122 A CA -0.300 51.788 52.037 0.086 0.000 0.794 122 A CB 0.876 19.928 19.000 0.086 0.000 1.029 122 A HN 0.498 nan 8.150 nan 0.000 0.488 123 V N 0.921 120.885 119.914 0.082 0.000 3.161 123 V HA 0.184 4.304 4.120 -0.000 0.000 0.221 123 V C 0.711 176.860 176.094 0.091 0.000 1.296 123 V CA 1.124 63.473 62.300 0.082 0.000 1.306 123 V CB -0.091 31.774 31.823 0.070 0.000 1.171 123 V HN 1.007 nan 8.190 nan 0.000 0.513 124 S N -0.544 115.209 115.700 0.088 0.000 2.588 124 S HA 0.827 5.297 4.470 -0.000 0.000 0.275 124 S C -1.262 173.398 174.600 0.101 0.000 1.130 124 S CA -0.584 57.673 58.200 0.095 0.000 0.855 124 S CB 2.565 65.807 63.200 0.070 0.000 1.116 124 S HN 0.425 nan 8.310 nan 0.000 0.472 125 V N 1.155 121.137 119.914 0.113 0.000 2.777 125 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 125 V C -1.515 174.620 176.094 0.067 0.000 1.112 125 V CA -0.603 61.761 62.300 0.107 0.000 0.917 125 V CB 1.869 33.794 31.823 0.170 0.000 1.018 125 V HN 0.971 nan 8.190 nan 0.000 0.426 126 K N 3.112 123.555 120.400 0.071 0.000 2.098 126 K HA 0.716 5.036 4.320 -0.000 0.000 0.261 126 K C -0.531 176.083 176.600 0.024 0.000 0.987 126 K CA -0.386 55.933 56.287 0.054 0.000 0.916 126 K CB 1.905 34.473 32.500 0.114 0.000 1.039 126 K HN 0.773 nan 8.250 nan 0.000 0.455 127 T N 0.539 115.032 114.554 -0.102 0.000 2.843 127 T HA 0.346 4.696 4.350 -0.000 0.000 0.302 127 T C -1.950 172.612 174.700 -0.230 0.000 1.232 127 T CA -0.652 61.289 62.100 -0.265 0.000 1.009 127 T CB 1.675 70.069 68.868 -0.790 0.000 1.254 127 T HN 0.698 nan 8.240 nan 0.000 0.504 128 E N 1.400 121.459 120.200 -0.235 0.000 2.380 128 E HA 0.548 4.898 4.350 -0.000 0.000 0.281 128 E C -1.892 174.620 176.600 -0.147 0.000 0.999 128 E CA -0.705 55.581 56.400 -0.190 0.000 0.800 128 E CB 2.087 31.677 29.700 -0.183 0.000 1.228 128 E HN 0.466 nan 8.360 nan 0.000 0.436 129 V N 3.335 123.168 119.914 -0.135 0.000 2.398 129 V HA 0.442 4.562 4.120 -0.000 0.000 0.286 129 V C -0.265 175.825 176.094 -0.008 0.000 1.026 129 V CA -0.566 61.679 62.300 -0.093 0.000 0.868 129 V CB 1.378 33.106 31.823 -0.160 0.000 0.982 129 V HN 0.462 nan 8.190 nan 0.000 0.443 130 V N 2.042 121.973 119.914 0.029 0.000 2.628 130 V HA 0.999 5.119 4.120 -0.000 0.000 0.306 130 V C 0.837 176.983 176.094 0.087 0.000 1.045 130 V CA 0.072 62.446 62.300 0.124 0.000 0.905 130 V CB 1.029 32.882 31.823 0.050 0.000 0.997 130 V HN 1.133 nan 8.190 nan 0.000 0.436 131 G N 2.098 111.021 108.800 0.206 0.000 2.173 131 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.142 131 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.142 131 G C 0.716 175.687 174.900 0.119 0.000 1.019 131 G CA 0.195 45.360 45.100 0.109 0.000 0.699 131 G HN 0.809 nan 8.290 nan 0.000 0.495 132 S N 0.396 116.205 115.700 0.181 0.000 2.402 132 S HA -0.058 4.412 4.470 -0.000 0.000 0.233 132 S C 2.576 177.244 174.600 0.114 0.000 1.030 132 S CA 2.021 60.234 58.200 0.023 0.000 1.003 132 S CB -0.526 62.499 63.200 -0.292 0.000 0.813 132 S HN 1.317 nan 8.310 nan 0.000 0.477 133 G N 1.536 110.480 108.800 0.239 0.000 2.469 133 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 133 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 133 G C 1.529 176.476 174.900 0.078 0.000 1.150 133 G CA 1.327 46.513 45.100 0.144 0.000 0.763 133 G HN 0.591 nan 8.290 nan 0.000 0.561 134 S N 0.143 115.880 115.700 0.062 0.000 2.392 134 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 134 S C 1.967 176.597 174.600 0.049 0.000 1.041 134 S CA 1.130 59.357 58.200 0.045 0.000 1.026 134 S CB -0.255 62.956 63.200 0.018 0.000 0.845 134 S HN 0.067 nan 8.310 nan 0.000 0.465 135 L N 1.499 122.748 121.223 0.043 0.000 2.821 135 L HA 0.250 4.590 4.340 -0.000 0.000 0.254 135 L C 1.092 177.986 176.870 0.040 0.000 1.151 135 L CA 0.824 55.691 54.840 0.045 0.000 0.937 135 L CB -1.291 40.785 42.059 0.029 0.000 1.141 135 L HN 0.437 nan 8.230 nan 0.000 0.425 136 L N -1.594 119.652 121.223 0.038 0.000 2.766 136 L HA 0.211 4.551 4.340 -0.000 0.000 0.242 136 L C 0.633 177.509 176.870 0.011 0.000 1.136 136 L CA -0.169 54.691 54.840 0.034 0.000 0.933 136 L CB 0.394 42.481 42.059 0.047 0.000 1.241 136 L HN 0.117 nan 8.230 nan 0.000 0.522 137 D N 1.538 121.922 120.400 -0.027 0.000 2.339 137 D HA 0.106 4.746 4.640 -0.000 0.000 0.256 137 D C 0.588 176.742 176.300 -0.243 0.000 1.214 137 D CA 0.127 54.014 54.000 -0.189 0.000 0.877 137 D CB 1.804 42.491 40.800 -0.188 0.000 1.111 137 D HN 0.028 nan 8.370 nan 0.000 0.478 138 V N 2.606 122.343 119.914 -0.294 0.000 3.159 138 V HA 0.208 4.328 4.120 -0.000 0.000 0.333 138 V C 0.709 176.745 176.094 -0.098 0.000 1.424 138 V CA -0.481 61.743 62.300 -0.127 0.000 1.125 138 V CB -0.653 31.170 31.823 0.001 0.000 1.075 138 V HN 0.529 nan 8.190 nan 0.000 0.482 139 H N 0.720 119.804 119.070 0.023 0.000 3.209 139 H HA 0.824 5.380 4.556 -0.000 0.000 0.225 139 H C 0.821 176.144 175.328 -0.009 0.000 1.599 139 H CA -0.248 55.787 56.048 -0.021 0.000 1.691 139 H CB 0.117 29.860 29.762 -0.031 0.000 1.473 139 H HN 0.597 nan 8.280 nan 0.000 0.981 140 G N -0.431 108.403 108.800 0.056 0.000 2.829 140 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.628 140 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.628 140 G C -1.210 173.707 174.900 0.029 0.000 1.412 140 G CA -0.283 44.835 45.100 0.030 0.000 0.864 140 G HN 0.468 nan 8.290 nan 0.000 0.544 141 F N 2.598 122.572 119.950 0.040 0.000 2.329 141 F HA 0.481 5.008 4.527 -0.000 0.000 0.362 141 F C 0.651 176.456 175.800 0.008 0.000 1.113 141 F CA -1.566 56.450 58.000 0.026 0.000 1.212 141 F CB 0.076 39.092 39.000 0.028 0.000 1.509 141 F HN 0.467 nan 8.300 nan 0.000 0.546 142 N N 1.819 120.802 118.700 0.471 0.000 2.457 142 N HA 0.310 5.050 4.740 -0.000 0.000 0.290 142 N C -0.791 174.839 175.510 0.200 0.000 1.232 142 N CA -1.016 52.153 53.050 0.199 0.000 0.852 142 N CB 1.342 39.913 38.487 0.140 0.000 1.313 142 N HN 0.178 nan 8.380 nan 0.000 0.522 143 K N 0.995 121.423 120.400 0.046 0.000 2.491 143 K HA 0.058 4.378 4.320 -0.000 0.000 0.279 143 K C -2.300 174.369 176.600 0.114 0.000 1.026 143 K CA -0.667 55.628 56.287 0.013 0.000 1.070 143 K CB 0.175 32.655 32.500 -0.033 0.000 0.887 143 K HN 0.314 nan 8.250 nan 0.000 0.481 144 P HA 0.043 nan 4.420 nan 0.000 0.274 144 P C 0.404 177.764 177.300 0.100 0.000 1.246 144 P CA -0.279 62.934 63.100 0.188 0.000 0.795 144 P CB 0.757 32.601 31.700 0.239 0.000 1.006 145 T N -0.715 113.891 114.554 0.086 0.000 2.614 145 T HA -0.172 4.178 4.350 -0.000 0.000 0.263 145 T C 0.460 175.190 174.700 0.049 0.000 1.055 145 T CA 1.654 63.789 62.100 0.059 0.000 1.162 145 T CB -0.804 68.096 68.868 0.053 0.000 0.863 145 T HN 0.563 nan 8.240 nan 0.000 0.414 146 D N 1.421 121.853 120.400 0.052 0.000 2.411 146 D HA 0.216 4.856 4.640 -0.000 0.000 0.225 146 D C 1.235 177.564 176.300 0.049 0.000 1.156 146 D CA -0.114 53.911 54.000 0.042 0.000 0.874 146 D CB 0.850 41.673 40.800 0.039 0.000 1.034 146 D HN 0.179 nan 8.370 nan 0.000 0.502 147 T N 0.855 115.429 114.554 0.035 0.000 2.674 147 T HA -0.208 4.142 4.350 -0.000 0.000 0.265 147 T C 2.053 176.771 174.700 0.029 0.000 1.039 147 T CA 1.081 63.198 62.100 0.028 0.000 1.150 147 T CB -0.547 68.325 68.868 0.008 0.000 0.864 147 T HN 0.275 nan 8.240 nan 0.000 0.427 148 V N 3.659 123.586 119.914 0.022 0.000 2.248 148 V HA -0.347 3.773 4.120 -0.000 0.000 0.254 148 V C 2.298 178.408 176.094 0.027 0.000 1.050 148 V CA 2.375 64.687 62.300 0.020 0.000 1.063 148 V CB -0.866 30.968 31.823 0.018 0.000 0.688 148 V HN 0.593 nan 8.190 nan 0.000 0.474 149 N N -0.942 117.778 118.700 0.033 0.000 2.461 149 N HA -0.012 4.728 4.740 -0.000 0.000 0.188 149 N C 0.443 175.987 175.510 0.056 0.000 1.134 149 N CA 0.956 54.029 53.050 0.037 0.000 0.878 149 N CB 0.222 38.729 38.487 0.033 0.000 0.972 149 N HN 0.688 nan 8.380 nan 0.000 0.456 150 T N 0.720 115.315 114.554 0.068 0.000 3.803 150 T HA -0.136 4.214 4.350 -0.000 0.000 0.386 150 T C -0.083 174.690 174.700 0.123 0.000 0.761 150 T CA 0.971 63.139 62.100 0.114 0.000 2.046 150 T CB -0.820 68.133 68.868 0.142 0.000 1.764 150 T HN 0.268 nan 8.240 nan 0.000 0.798 151 K N -0.406 120.050 120.400 0.093 0.000 2.263 151 K HA 0.921 5.241 4.320 -0.000 0.000 0.249 151 K C 0.935 177.577 176.600 0.069 0.000 1.076 151 K CA 0.495 56.825 56.287 0.071 0.000 0.884 151 K CB 1.531 34.059 32.500 0.047 0.000 1.394 151 K HN 0.635 nan 8.250 nan 0.000 0.476 152 G N -0.105 108.725 108.800 0.051 0.000 2.846 152 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.225 152 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.225 152 G C -1.344 173.585 174.900 0.049 0.000 1.285 152 G CA -0.239 44.891 45.100 0.049 0.000 1.055 152 G HN 0.366 nan 8.290 nan 0.000 0.579 153 I N 0.712 121.318 120.570 0.060 0.000 2.730 153 I HA 0.615 4.785 4.170 -0.000 0.000 0.298 153 I C 0.308 176.471 176.117 0.077 0.000 1.089 153 I CA -1.034 60.301 61.300 0.058 0.000 1.041 153 I CB 1.724 39.756 38.000 0.053 0.000 1.235 153 I HN 0.422 nan 8.210 nan 0.000 0.423 154 S N 3.361 119.102 115.700 0.069 0.000 3.072 154 S HA 0.131 4.601 4.470 -0.000 0.000 0.306 154 S C 0.067 174.719 174.600 0.087 0.000 1.207 154 S CA -0.165 58.101 58.200 0.110 0.000 1.008 154 S CB -0.621 62.641 63.200 0.103 0.000 1.390 154 S HN 0.652 nan 8.310 nan 0.000 0.523 155 T N 7.523 122.133 114.554 0.093 0.000 2.367 155 T HA -0.067 4.283 4.350 -0.000 0.000 0.207 155 T C -1.653 173.101 174.700 0.089 0.000 1.065 155 T CA -0.246 61.904 62.100 0.083 0.000 1.252 155 T CB -0.349 68.568 68.868 0.082 0.000 1.023 155 T HN 0.507 nan 8.240 nan 0.000 0.462 156 P HA 0.051 nan 4.420 nan 0.000 0.272 156 P C -0.186 177.179 177.300 0.108 0.000 1.243 156 P CA -0.443 62.707 63.100 0.083 0.000 0.803 156 P CB 0.435 32.171 31.700 0.060 0.000 0.974 157 V N 0.377 120.355 119.914 0.107 0.000 2.521 157 V HA 0.139 4.259 4.120 -0.000 0.000 0.286 157 V C 0.865 176.990 176.094 0.052 0.000 1.034 157 V CA 0.686 63.051 62.300 0.110 0.000 1.045 157 V CB -0.577 31.305 31.823 0.098 0.000 0.974 157 V HN 0.544 nan 8.190 nan 0.000 0.480 158 E N 1.970 122.192 120.200 0.038 0.000 2.446 158 E HA 0.738 5.088 4.350 -0.000 0.000 0.269 158 E C 0.085 176.585 176.600 -0.167 0.000 0.977 158 E CA -0.299 56.099 56.400 -0.003 0.000 0.854 158 E CB 2.479 32.233 29.700 0.090 0.000 1.545 158 E HN 1.011 nan 8.360 nan 0.000 0.448 159 G N 0.397 109.119 108.800 -0.130 0.000 2.526 159 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.250 159 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.250 159 G C -0.478 174.212 174.900 -0.350 0.000 1.289 159 G CA -0.389 44.566 45.100 -0.240 0.000 0.947 159 G HN 0.408 nan 8.290 nan 0.000 0.517 160 S N 0.780 116.247 115.700 -0.389 0.000 2.576 160 S HA 0.521 4.991 4.470 -0.000 0.000 0.272 160 S C 0.403 174.809 174.600 -0.323 0.000 1.352 160 S CA 0.815 58.863 58.200 -0.253 0.000 1.021 160 S CB 0.857 64.081 63.200 0.040 0.000 0.887 160 S HN 0.841 nan 8.310 nan 0.000 0.542 161 Q N 0.551 120.229 119.800 -0.204 0.000 2.462 161 Q HA 0.652 4.992 4.340 -0.000 0.000 0.285 161 Q C -1.830 174.119 176.000 -0.085 0.000 1.035 161 Q CA -0.955 54.730 55.803 -0.195 0.000 0.799 161 Q CB 2.006 30.637 28.738 -0.179 0.000 1.452 161 Q HN 0.680 nan 8.270 nan 0.000 0.404 162 Y N 0.478 120.505 120.300 -0.455 0.000 2.482 162 Y HA 0.440 4.990 4.550 -0.000 0.000 0.334 162 Y C -1.864 173.664 175.900 -0.620 0.000 1.091 162 Y CA -0.486 57.424 58.100 -0.317 0.000 1.027 162 Y CB 2.020 40.420 38.460 -0.100 0.000 1.306 162 Y HN 0.772 nan 8.280 nan 0.000 0.446 163 H N 5.037 124.058 119.070 -0.082 0.000 2.934 163 H HA 0.724 5.280 4.556 -0.000 0.000 0.340 163 H C -1.457 173.773 175.328 -0.163 0.000 1.008 163 H CA -0.629 55.384 56.048 -0.058 0.000 1.317 163 H CB 1.767 31.522 29.762 -0.011 0.000 1.670 163 H HN 0.534 nan 8.280 nan 0.000 0.516 164 V N 3.615 123.553 119.914 0.041 0.000 3.188 164 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 164 V C -1.061 175.250 176.094 0.361 0.000 1.232 164 V CA -0.951 61.397 62.300 0.081 0.000 1.043 164 V CB 2.947 34.731 31.823 -0.066 0.000 1.068 164 V HN 0.726 nan 8.190 nan 0.000 0.439 165 F N 0.168 120.351 119.950 0.389 0.000 2.842 165 F HA 0.973 5.500 4.527 -0.000 0.000 0.319 165 F C -0.864 175.220 175.800 0.473 0.000 1.159 165 F CA -0.416 57.863 58.000 0.464 0.000 0.902 165 F CB 0.931 40.188 39.000 0.428 0.000 1.311 165 F HN 1.018 nan 8.300 nan 0.000 0.453 166 A N 0.686 123.870 122.820 0.606 0.000 2.581 166 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 166 A C -2.299 175.598 177.584 0.522 0.000 1.119 166 A CA -0.655 51.582 52.037 0.334 0.000 0.670 166 A CB 1.618 20.707 19.000 0.148 0.000 1.280 166 A HN 1.573 nan 8.150 nan 0.000 0.425 167 V N -0.144 119.963 119.914 0.322 0.000 2.777 167 V HA 0.789 4.909 4.120 -0.000 0.000 0.306 167 V C 0.218 176.406 176.094 0.156 0.000 1.112 167 V CA 0.499 62.963 62.300 0.274 0.000 0.917 167 V CB 1.951 33.984 31.823 0.351 0.000 1.018 167 V HN 1.990 nan 8.190 nan 0.000 0.426 168 G N 2.285 111.170 108.800 0.140 0.000 2.623 168 G HA2 0.543 4.503 3.960 -0.000 0.000 0.290 168 G HA3 0.543 4.503 3.960 -0.000 0.000 0.290 168 G C -0.004 174.992 174.900 0.160 0.000 1.437 168 G CA 0.064 45.219 45.100 0.092 0.000 0.798 168 G HN 1.034 nan 8.290 nan 0.000 0.488 169 G N -0.432 108.424 108.800 0.094 0.000 3.678 169 G HA2 0.550 4.510 3.960 -0.000 0.000 0.287 169 G HA3 0.550 4.510 3.960 -0.000 0.000 0.287 169 G C 0.104 175.025 174.900 0.035 0.000 1.280 169 G CA 0.548 45.739 45.100 0.152 0.000 1.118 169 G HN 1.093 nan 8.290 nan 0.000 0.563 170 E N -1.546 118.446 120.200 -0.347 0.000 2.365 170 E HA 0.124 4.474 4.350 -0.000 0.000 0.280 170 E C -3.327 172.455 176.600 -1.362 0.000 1.188 170 E CA -1.470 54.354 56.400 -0.961 0.000 0.931 170 E CB 0.145 29.610 29.700 -0.391 0.000 1.201 170 E HN 0.014 nan 8.360 nan 0.000 0.423 171 P HA 0.035 nan 4.420 nan 0.000 0.272 171 P C -0.135 176.888 177.300 -0.461 0.000 1.254 171 P CA -0.522 62.114 63.100 -0.774 0.000 0.795 171 P CB 0.712 32.130 31.700 -0.470 0.000 1.022 172 L N 1.581 122.579 121.223 -0.375 0.000 2.319 172 L HA 0.148 4.488 4.340 -0.000 0.000 0.280 172 L C -0.442 176.189 176.870 -0.398 0.000 1.099 172 L CA -0.205 54.414 54.840 -0.368 0.000 0.828 172 L CB 0.114 41.913 42.059 -0.433 0.000 1.150 172 L HN 0.325 nan 8.230 nan 0.000 0.442 173 D N 5.743 125.959 120.400 -0.307 0.000 2.295 173 D HA 0.467 5.107 4.640 -0.000 0.000 0.248 173 D C -0.552 175.588 176.300 -0.268 0.000 1.154 173 D CA -0.179 53.669 54.000 -0.254 0.000 0.857 173 D CB 1.182 41.886 40.800 -0.161 0.000 1.117 173 D HN 0.223 nan 8.370 nan 0.000 0.468 174 L N -0.123 120.946 121.223 -0.257 0.000 2.283 174 L HA 0.671 5.011 4.340 -0.000 0.000 0.259 174 L C -0.478 176.442 176.870 0.083 0.000 1.027 174 L CA -1.083 53.661 54.840 -0.160 0.000 0.828 174 L CB 1.021 42.899 42.059 -0.302 0.000 1.380 174 L HN 0.145 nan 8.230 nan 0.000 0.425 175 Q N -0.159 119.771 119.800 0.216 0.000 2.372 175 Q HA 0.705 5.045 4.340 -0.000 0.000 0.273 175 Q C -1.038 175.117 176.000 0.258 0.000 1.078 175 Q CA -0.416 55.540 55.803 0.255 0.000 0.806 175 Q CB 2.689 31.501 28.738 0.123 0.000 1.332 175 Q HN 1.037 nan 8.270 nan 0.000 0.435 176 G N 1.929 110.718 108.800 -0.018 0.000 2.432 176 G HA2 0.773 4.733 3.960 -0.000 0.000 0.331 176 G HA3 0.773 4.733 3.960 -0.000 0.000 0.331 176 G C -1.149 173.662 174.900 -0.150 0.000 1.170 176 G CA -0.373 44.514 45.100 -0.354 0.000 0.943 176 G HN 0.448 nan 8.290 nan 0.000 0.483 177 L N 1.315 122.506 121.223 -0.055 0.000 2.543 177 L HA 0.461 4.801 4.340 -0.000 0.000 0.265 177 L C -0.557 176.305 176.870 -0.014 0.000 0.945 177 L CA -0.888 53.917 54.840 -0.059 0.000 0.869 177 L CB 2.001 44.005 42.059 -0.091 0.000 1.294 177 L HN 0.485 nan 8.230 nan 0.000 0.405 178 V N 1.576 121.475 119.914 -0.025 0.000 3.096 178 V HA 0.499 4.619 4.120 -0.000 0.000 0.319 178 V C 1.026 177.128 176.094 0.012 0.000 1.103 178 V CA 0.382 62.695 62.300 0.022 0.000 1.016 178 V CB 2.252 34.103 31.823 0.046 0.000 1.090 178 V HN 0.943 nan 8.190 nan 0.000 0.449 179 T N 0.491 115.062 114.554 0.029 0.000 2.623 179 T HA 0.026 4.376 4.350 -0.000 0.000 0.254 179 T C 0.340 175.037 174.700 -0.006 0.000 1.075 179 T CA 0.841 62.946 62.100 0.008 0.000 1.177 179 T CB -0.231 68.647 68.868 0.018 0.000 0.869 179 T HN 0.633 nan 8.240 nan 0.000 0.403 180 D N 1.181 121.572 120.400 -0.014 0.000 2.427 180 D HA 0.604 5.244 4.640 -0.000 0.000 0.226 180 D C 0.787 177.057 176.300 -0.050 0.000 1.076 180 D CA -0.229 53.748 54.000 -0.038 0.000 0.849 180 D CB 1.550 42.318 40.800 -0.054 0.000 1.052 180 D HN 0.347 nan 8.370 nan 0.000 0.515 181 A N 3.779 126.579 122.820 -0.034 0.000 2.194 181 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 181 A C 1.835 179.390 177.584 -0.049 0.000 1.162 181 A CA 1.145 53.164 52.037 -0.029 0.000 0.674 181 A CB -0.281 18.708 19.000 -0.018 0.000 0.789 181 A HN 0.632 nan 8.150 nan 0.000 0.470 182 R N -1.141 119.318 120.500 -0.069 0.000 2.297 182 R HA 0.065 4.405 4.340 -0.000 0.000 0.197 182 R C -0.189 176.028 176.300 -0.138 0.000 0.943 182 R CA 0.593 56.645 56.100 -0.080 0.000 1.038 182 R CB -0.863 29.398 30.300 -0.066 0.000 0.957 182 R HN 0.186 nan 8.270 nan 0.000 0.484 183 T N 2.590 117.009 114.554 -0.224 0.000 2.908 183 T HA 0.038 4.388 4.350 -0.000 0.000 0.301 183 T C -0.031 174.402 174.700 -0.444 0.000 1.019 183 T CA 0.217 62.073 62.100 -0.406 0.000 1.152 183 T CB 0.785 69.250 68.868 -0.671 0.000 0.966 183 T HN 0.045 nan 8.240 nan 0.000 0.540 184 K N 3.834 124.047 120.400 -0.313 0.000 2.243 184 K HA 0.194 4.514 4.320 -0.000 0.000 0.232 184 K C -0.480 176.043 176.600 -0.128 0.000 1.237 184 K CA -0.004 56.182 56.287 -0.169 0.000 1.161 184 K CB -0.616 31.832 32.500 -0.087 0.000 1.505 184 K HN 0.433 nan 8.250 nan 0.000 0.271 185 Y N 0.531 120.845 120.300 0.023 0.000 2.299 185 Y HA 0.152 4.702 4.550 -0.000 0.000 0.335 185 Y C 0.890 176.808 175.900 0.030 0.000 1.287 185 Y CA -0.552 57.568 58.100 0.033 0.000 1.424 185 Y CB 0.557 39.041 38.460 0.040 0.000 1.326 185 Y HN 0.107 nan 8.280 nan 0.000 0.567 186 K N 1.125 121.664 120.400 0.231 0.000 2.154 186 K HA 0.140 4.460 4.320 -0.000 0.000 0.264 186 K C 0.758 177.422 176.600 0.107 0.000 1.008 186 K CA -0.402 55.961 56.287 0.126 0.000 0.937 186 K CB 0.586 33.141 32.500 0.092 0.000 1.002 186 K HN 0.511 nan 8.250 nan 0.000 0.469 187 E N 0.883 121.126 120.200 0.072 0.000 2.435 187 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 187 E C -0.233 176.386 176.600 0.032 0.000 1.029 187 E CA 0.580 57.012 56.400 0.054 0.000 0.865 187 E CB 0.252 29.976 29.700 0.041 0.000 0.833 187 E HN 0.403 nan 8.360 nan 0.000 0.510 188 E N -0.157 120.064 120.200 0.034 0.000 2.191 188 E HA 0.389 4.739 4.350 -0.000 0.000 0.278 188 E C 0.392 177.000 176.600 0.013 0.000 0.972 188 E CA 0.090 56.502 56.400 0.019 0.000 0.804 188 E CB 1.218 30.932 29.700 0.023 0.000 1.110 188 E HN 0.149 nan 8.360 nan 0.000 0.394 189 G N 2.303 111.099 108.800 -0.008 0.000 2.233 189 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.270 189 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.270 189 G C -0.119 174.761 174.900 -0.033 0.000 1.011 189 G CA 0.689 45.779 45.100 -0.017 0.000 0.762 189 G HN 1.145 nan 8.290 nan 0.000 0.511 190 V N -3.315 116.565 119.914 -0.058 0.000 3.167 190 V HA 0.720 4.840 4.120 -0.000 0.000 0.293 190 V C -0.568 175.445 176.094 -0.134 0.000 1.379 190 V CA -0.626 61.622 62.300 -0.087 0.000 1.019 190 V CB 2.287 34.084 31.823 -0.044 0.000 1.115 190 V HN 0.765 nan 8.190 nan 0.000 0.442 191 V N 4.231 124.001 119.914 -0.239 0.000 2.333 191 V HA 0.639 4.759 4.120 -0.000 0.000 0.274 191 V C 0.536 176.720 176.094 0.149 0.000 1.028 191 V CA 0.190 62.340 62.300 -0.251 0.000 0.851 191 V CB 0.858 32.139 31.823 -0.903 0.000 1.000 191 V HN 1.095 nan 8.190 nan 0.000 0.456 192 T N 4.081 118.748 114.554 0.188 0.000 2.949 192 T HA 0.476 4.826 4.350 -0.000 0.000 0.287 192 T C 1.373 176.303 174.700 0.383 0.000 1.034 192 T CA -0.598 61.667 62.100 0.275 0.000 1.018 192 T CB 1.655 70.599 68.868 0.127 0.000 1.135 192 T HN 0.408 nan 8.240 nan 0.000 0.532 193 I N 0.147 120.884 120.570 0.280 0.000 2.381 193 I HA -0.258 3.912 4.170 -0.000 0.000 0.255 193 I C 2.054 178.290 176.117 0.198 0.000 1.140 193 I CA 1.269 62.709 61.300 0.232 0.000 1.404 193 I CB -1.438 36.560 38.000 -0.003 0.000 1.075 193 I HN 0.675 nan 8.210 nan 0.000 0.433 194 K N 0.844 121.342 120.400 0.162 0.000 2.021 194 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 194 K C 1.924 178.590 176.600 0.111 0.000 1.047 194 K CA 1.644 58.002 56.287 0.118 0.000 0.943 194 K CB -1.451 31.116 32.500 0.112 0.000 0.725 194 K HN 0.291 nan 8.250 nan 0.000 0.439 195 T N 1.820 116.444 114.554 0.117 0.000 2.721 195 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 195 T C 1.905 176.647 174.700 0.069 0.000 1.038 195 T CA 1.769 63.912 62.100 0.072 0.000 1.145 195 T CB -0.293 68.601 68.868 0.043 0.000 0.858 195 T HN 0.335 nan 8.240 nan 0.000 0.459 196 I N -0.128 120.521 120.570 0.132 0.000 2.494 196 I HA 0.177 4.347 4.170 -0.000 0.000 0.250 196 I C 0.730 176.908 176.117 0.102 0.000 1.112 196 I CA 1.090 62.460 61.300 0.116 0.000 1.438 196 I CB 0.302 38.414 38.000 0.188 0.000 1.111 196 I HN -0.009 nan 8.210 nan 0.000 0.431 197 T N 2.431 117.059 114.554 0.122 0.000 2.912 197 T HA 0.256 4.606 4.350 -0.000 0.000 0.326 197 T C 0.819 175.561 174.700 0.069 0.000 1.080 197 T CA -0.751 61.401 62.100 0.086 0.000 1.000 197 T CB 0.377 69.296 68.868 0.084 0.000 1.008 197 T HN 0.185 nan 8.240 nan 0.000 0.473 198 K N 3.236 123.667 120.400 0.052 0.000 2.113 198 K HA -0.244 4.076 4.320 -0.000 0.000 0.224 198 K C 0.396 177.020 176.600 0.041 0.000 0.975 198 K CA 1.722 58.033 56.287 0.040 0.000 0.973 198 K CB -0.859 31.659 32.500 0.030 0.000 0.867 198 K HN 0.539 nan 8.250 nan 0.000 0.470 199 K N 2.843 123.265 120.400 0.037 0.000 2.436 199 K HA 0.030 4.350 4.320 -0.000 0.000 0.282 199 K C -0.116 176.506 176.600 0.037 0.000 1.044 199 K CA -0.017 56.289 56.287 0.032 0.000 1.028 199 K CB 0.168 32.684 32.500 0.027 0.000 0.919 199 K HN 0.107 nan 8.250 nan 0.000 0.474 200 D N 2.383 122.802 120.400 0.032 0.000 2.370 200 D HA -0.084 4.556 4.640 -0.000 0.000 0.235 200 D C 0.580 176.897 176.300 0.029 0.000 1.228 200 D CA 0.458 54.478 54.000 0.034 0.000 0.884 200 D CB 0.440 41.254 40.800 0.023 0.000 1.201 200 D HN 0.317 nan 8.370 nan 0.000 0.456 201 M N 0.043 119.662 119.600 0.030 0.000 2.232 201 M HA 0.290 4.770 4.480 -0.000 0.000 0.321 201 M C -0.131 176.173 176.300 0.007 0.000 1.101 201 M CA -0.294 55.018 55.300 0.020 0.000 1.181 201 M CB 0.184 32.797 32.600 0.020 0.000 1.432 201 M HN -0.029 nan 8.290 nan 0.000 0.457 202 V N 0.107 120.022 119.914 0.002 0.000 3.145 202 V HA 0.277 4.397 4.120 -0.000 0.000 0.311 202 V C 0.804 176.894 176.094 -0.007 0.000 1.238 202 V CA -0.777 61.522 62.300 -0.002 0.000 1.066 202 V CB 1.549 33.372 31.823 0.001 0.000 1.144 202 V HN 0.959 nan 8.190 nan 0.000 0.465 203 N N 0.768 119.463 118.700 -0.008 0.000 2.166 203 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 203 N C 1.220 176.723 175.510 -0.012 0.000 1.019 203 N CA 1.553 54.596 53.050 -0.011 0.000 0.856 203 N CB -0.540 37.941 38.487 -0.010 0.000 0.993 203 N HN 0.688 nan 8.380 nan 0.000 0.426 204 K N 0.450 120.845 120.400 -0.009 0.000 2.044 204 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 204 K C 1.366 177.957 176.600 -0.015 0.000 1.049 204 K CA 2.084 58.365 56.287 -0.009 0.000 0.927 204 K CB -0.224 32.274 32.500 -0.004 0.000 0.713 204 K HN 0.222 nan 8.250 nan 0.000 0.443 205 D N 0.203 120.592 120.400 -0.017 0.000 2.104 205 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 205 D C 1.699 177.977 176.300 -0.038 0.000 0.994 205 D CA 1.154 55.134 54.000 -0.032 0.000 0.830 205 D CB -0.116 40.665 40.800 -0.032 0.000 0.959 205 D HN 0.226 nan 8.370 nan 0.000 0.452 206 Q N 0.082 119.866 119.800 -0.027 0.000 2.522 206 Q HA -0.156 4.184 4.340 -0.000 0.000 0.216 206 Q C 1.215 177.196 176.000 -0.031 0.000 0.986 206 Q CA 1.224 57.012 55.803 -0.026 0.000 0.901 206 Q CB 0.207 28.933 28.738 -0.020 0.000 0.954 206 Q HN 0.450 nan 8.270 nan 0.000 0.502 207 V N -4.576 115.318 119.914 -0.032 0.000 3.219 207 V HA 0.335 4.455 4.120 -0.000 0.000 0.214 207 V C 0.049 176.121 176.094 -0.037 0.000 1.433 207 V CA -0.119 62.160 62.300 -0.035 0.000 1.301 207 V CB 0.707 32.515 31.823 -0.025 0.000 1.160 207 V HN 0.102 nan 8.190 nan 0.000 0.505 208 L N 2.196 123.403 121.223 -0.026 0.000 2.572 208 L HA 0.547 4.887 4.340 -0.000 0.000 0.249 208 L C -1.371 175.493 176.870 -0.010 0.000 1.114 208 L CA -0.044 54.783 54.840 -0.020 0.000 0.933 208 L CB 0.880 42.930 42.059 -0.015 0.000 1.131 208 L HN 0.338 nan 8.230 nan 0.000 0.507 209 N N 3.963 122.656 118.700 -0.011 0.000 2.469 209 N HA 0.408 5.148 4.740 -0.000 0.000 0.239 209 N C -1.933 173.588 175.510 0.018 0.000 1.053 209 N CA -2.163 50.887 53.050 0.001 0.000 0.937 209 N CB 1.510 39.996 38.487 -0.002 0.000 1.163 209 N HN 0.239 nan 8.380 nan 0.000 0.509 210 P HA -0.091 nan 4.420 nan 0.000 0.227 210 P C 0.500 177.820 177.300 0.034 0.000 1.145 210 P CA 0.722 63.837 63.100 0.024 0.000 0.769 210 P CB 0.312 32.022 31.700 0.016 0.000 0.769 211 I N -1.768 118.825 120.570 0.038 0.000 2.522 211 I HA -0.042 4.128 4.170 -0.000 0.000 0.240 211 I C 0.943 177.109 176.117 0.082 0.000 1.078 211 I CA 0.848 62.177 61.300 0.049 0.000 1.422 211 I CB -1.415 36.610 38.000 0.042 0.000 1.188 211 I HN -0.324 nan 8.210 nan 0.000 0.442 212 S N 3.988 119.737 115.700 0.082 0.000 3.442 212 S HA 0.008 4.478 4.470 -0.000 0.000 0.237 212 S C 0.001 174.738 174.600 0.229 0.000 0.992 212 S CA 0.420 58.697 58.200 0.128 0.000 1.381 212 S CB -1.349 61.859 63.200 0.013 0.000 1.566 212 S HN 0.219 nan 8.310 nan 0.000 0.559 213 K N 1.214 121.780 120.400 0.276 0.000 2.482 213 K HA 0.718 5.038 4.320 -0.000 0.000 0.251 213 K C -0.162 176.537 176.600 0.166 0.000 0.936 213 K CA -0.595 55.850 56.287 0.263 0.000 0.791 213 K CB 2.325 34.887 32.500 0.104 0.000 1.213 213 K HN 0.358 nan 8.250 nan 0.000 0.428 214 A N 2.247 125.060 122.820 -0.011 0.000 3.458 214 A HA 0.754 5.074 4.320 -0.000 0.000 0.205 214 A C -0.982 176.400 177.584 -0.337 0.000 1.060 214 A CA -0.428 51.446 52.037 -0.273 0.000 0.829 214 A CB 1.001 19.599 19.000 -0.670 0.000 1.419 214 A HN 0.471 nan 8.150 nan 0.000 0.644 215 K N -0.809 119.333 120.400 -0.430 0.000 2.409 215 K HA 0.472 4.792 4.320 -0.000 0.000 0.252 215 K C -0.665 175.516 176.600 -0.698 0.000 1.036 215 K CA -0.598 55.429 56.287 -0.435 0.000 0.871 215 K CB 1.474 33.816 32.500 -0.263 0.000 1.374 215 K HN 0.464 nan 8.250 nan 0.000 0.459 216 L N 2.947 123.811 121.223 -0.598 0.000 2.805 216 L HA -0.011 4.329 4.340 -0.000 0.000 0.237 216 L C 1.116 177.830 176.870 -0.260 0.000 1.252 216 L CA 0.244 54.690 54.840 -0.657 0.000 1.064 216 L CB -0.298 41.483 42.059 -0.463 0.000 1.361 216 L HN 0.624 nan 8.230 nan 0.000 0.474 217 D N -0.336 119.987 120.400 -0.128 0.000 2.239 217 D HA -0.224 4.416 4.640 -0.000 0.000 0.202 217 D C 0.970 177.334 176.300 0.106 0.000 0.993 217 D CA 1.225 55.238 54.000 0.021 0.000 0.874 217 D CB 0.340 41.152 40.800 0.020 0.000 0.922 217 D HN 0.263 nan 8.370 nan 0.000 0.464 218 K N -0.069 120.506 120.400 0.292 0.000 2.096 218 K HA 0.493 4.813 4.320 -0.000 0.000 0.263 218 K C -0.874 175.859 176.600 0.222 0.000 1.013 218 K CA -0.550 55.865 56.287 0.214 0.000 1.218 218 K CB 0.753 33.281 32.500 0.047 0.000 1.961 218 K HN 0.074 nan 8.250 nan 0.000 0.851 219 D N -2.821 117.688 120.400 0.181 0.000 2.720 219 D HA 0.349 4.989 4.640 -0.000 0.000 0.239 219 D C -0.368 176.011 176.300 0.131 0.000 1.218 219 D CA 0.195 54.291 54.000 0.160 0.000 0.748 219 D CB 0.941 41.795 40.800 0.091 0.000 1.387 219 D HN 0.507 nan 8.370 nan 0.000 0.438 220 G N 1.525 110.418 108.800 0.155 0.000 2.337 220 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.290 220 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.290 220 G C 0.536 175.490 174.900 0.090 0.000 1.003 220 G CA 1.385 46.556 45.100 0.118 0.000 0.825 220 G HN 0.461 nan 8.290 nan 0.000 0.509 221 M N -2.133 117.538 119.600 0.118 0.000 2.429 221 M HA 0.416 4.896 4.480 -0.000 0.000 0.230 221 M C 0.097 176.369 176.300 -0.047 0.000 1.469 221 M CA 0.228 55.509 55.300 -0.031 0.000 1.097 221 M CB 0.618 33.088 32.600 -0.216 0.000 1.490 221 M HN 0.117 nan 8.290 nan 0.000 0.556 222 Y N 2.305 122.607 120.300 0.003 0.000 2.336 222 Y HA 0.467 5.017 4.550 -0.000 0.000 0.335 222 Y C -2.244 173.801 175.900 0.242 0.000 1.046 222 Y CA -3.150 54.980 58.100 0.050 0.000 1.198 222 Y CB -0.585 37.681 38.460 -0.323 0.000 1.182 222 Y HN 0.115 nan 8.280 nan 0.000 0.502 223 P HA 0.127 nan 4.420 nan 0.000 0.284 223 P C 0.420 177.876 177.300 0.260 0.000 1.258 223 P CA -0.396 62.827 63.100 0.205 0.000 0.824 223 P CB 2.269 33.985 31.700 0.026 0.000 1.038 224 V N 1.619 121.560 119.914 0.045 0.000 2.515 224 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 224 V C 2.518 178.506 176.094 -0.176 0.000 1.058 224 V CA 1.770 64.002 62.300 -0.113 0.000 1.064 224 V CB -1.516 30.005 31.823 -0.502 0.000 0.675 224 V HN 0.645 nan 8.190 nan 0.000 0.461 225 E N 0.006 120.140 120.200 -0.110 0.000 2.233 225 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 225 E C 1.929 178.510 176.600 -0.033 0.000 1.004 225 E CA 1.699 58.082 56.400 -0.028 0.000 0.819 225 E CB -0.024 29.718 29.700 0.070 0.000 0.738 225 E HN 0.686 nan 8.360 nan 0.000 0.478 226 I N -1.561 118.915 120.570 -0.157 0.000 2.962 226 I HA 0.008 4.178 4.170 -0.000 0.000 0.246 226 I C 0.352 176.147 176.117 -0.537 0.000 1.091 226 I CA -0.147 60.941 61.300 -0.354 0.000 1.469 226 I CB -0.106 37.497 38.000 -0.660 0.000 1.324 226 I HN 0.016 nan 8.210 nan 0.000 0.461 227 W N 2.511 123.705 121.300 -0.176 0.000 2.287 227 W HA 0.309 4.969 4.660 -0.000 0.000 0.313 227 W C 0.057 176.325 176.519 -0.418 0.000 1.267 227 W CA -0.007 57.218 57.345 -0.200 0.000 1.201 227 W CB 0.319 29.710 29.460 -0.115 0.000 1.196 227 W HN 0.064 nan 8.180 nan 0.000 0.536 228 H N 2.450 121.698 119.070 0.297 0.000 2.928 228 H HA 0.239 4.795 4.556 -0.000 0.000 0.371 228 H C -2.339 172.971 175.328 -0.029 0.000 1.186 228 H CA -2.258 53.920 56.048 0.217 0.000 1.134 228 H CB 1.762 31.619 29.762 0.158 0.000 1.824 228 H HN 0.059 nan 8.280 nan 0.000 0.554 229 P HA -0.048 nan 4.420 nan 0.000 0.264 229 P C -0.298 176.837 177.300 -0.275 0.000 1.229 229 P CA 0.247 63.057 63.100 -0.483 0.000 0.780 229 P CB 0.287 31.349 31.700 -1.064 0.000 0.808 230 D N 5.787 126.082 120.400 -0.176 0.000 2.277 230 D HA 0.173 4.813 4.640 -0.000 0.000 0.249 230 D C -2.087 174.207 176.300 -0.011 0.000 1.134 230 D CA -2.689 51.285 54.000 -0.043 0.000 0.863 230 D CB 0.509 41.303 40.800 -0.009 0.000 1.143 230 D HN 0.196 nan 8.370 nan 0.000 0.458 231 P HA 0.215 nan 4.420 nan 0.000 0.252 231 P C -0.481 176.849 177.300 0.050 0.000 1.727 231 P CA -0.400 62.766 63.100 0.110 0.000 1.134 231 P CB 0.241 32.014 31.700 0.122 0.000 1.876 232 A N 4.712 127.549 122.820 0.028 0.000 2.483 232 A HA 0.043 4.363 4.320 -0.000 0.000 0.238 232 A C 1.738 179.331 177.584 0.015 0.000 1.070 232 A CA -0.247 51.794 52.037 0.008 0.000 0.770 232 A CB 0.318 19.309 19.000 -0.014 0.000 1.008 232 A HN 0.498 nan 8.150 nan 0.000 0.497 233 K N 1.494 121.900 120.400 0.009 0.000 2.286 233 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 233 K C -0.119 176.484 176.600 0.004 0.000 1.045 233 K CA 1.502 57.793 56.287 0.008 0.000 0.935 233 K CB -0.365 32.137 32.500 0.005 0.000 0.737 233 K HN 0.695 nan 8.250 nan 0.000 0.460 234 N N 0.263 118.963 118.700 0.000 0.000 2.240 234 N HA 0.281 5.021 4.740 -0.000 0.000 0.302 234 N C -1.541 173.963 175.510 -0.010 0.000 1.106 234 N CA -0.582 52.465 53.050 -0.004 0.000 0.778 234 N CB 2.029 40.512 38.487 -0.007 0.000 1.431 234 N HN 0.021 nan 8.380 nan 0.000 0.479 235 E N 0.307 120.499 120.200 -0.012 0.000 2.400 235 E HA 0.184 4.534 4.350 -0.000 0.000 0.285 235 E C -1.479 175.108 176.600 -0.021 0.000 1.005 235 E CA -0.391 55.998 56.400 -0.019 0.000 0.816 235 E CB 1.149 30.851 29.700 0.003 0.000 1.220 235 E HN 0.505 nan 8.360 nan 0.000 0.426 236 N N 1.334 120.015 118.700 -0.032 0.000 2.291 236 N HA 0.210 4.950 4.740 -0.000 0.000 0.244 236 N C -1.475 174.024 175.510 -0.019 0.000 1.216 236 N CA 0.210 53.248 53.050 -0.020 0.000 0.879 236 N CB 0.834 39.309 38.487 -0.020 0.000 1.167 236 N HN 0.419 nan 8.380 nan 0.000 0.515 237 T N -1.109 113.431 114.554 -0.025 0.000 2.924 237 T HA 0.595 4.945 4.350 -0.000 0.000 0.291 237 T C -0.498 174.177 174.700 -0.041 0.000 1.045 237 T CA -0.896 61.197 62.100 -0.012 0.000 1.015 237 T CB 2.092 70.945 68.868 -0.024 0.000 1.103 237 T HN -0.106 nan 8.240 nan 0.000 0.496 238 R N 1.204 121.655 120.500 -0.081 0.000 2.513 238 R HA 0.554 4.894 4.340 -0.000 0.000 0.301 238 R C -1.472 174.478 176.300 -0.583 0.000 0.968 238 R CA -0.744 55.164 56.100 -0.321 0.000 0.872 238 R CB 1.768 31.986 30.300 -0.138 0.000 1.177 238 R HN 0.940 nan 8.270 nan 0.000 0.444 239 Y N 0.687 120.335 120.300 -1.086 0.000 2.644 239 Y HA 0.849 5.399 4.550 -0.000 0.000 0.338 239 Y C -1.165 173.700 175.900 -1.724 0.000 1.119 239 Y CA -1.665 55.706 58.100 -1.215 0.000 1.060 239 Y CB 1.456 39.635 38.460 -0.468 0.000 1.294 239 Y HN 0.443 nan 8.280 nan 0.000 0.472 240 F N -1.602 118.282 119.950 -0.110 0.000 2.890 240 F HA 0.794 5.321 4.527 -0.000 0.000 0.326 240 F C -0.345 175.357 175.800 -0.162 0.000 1.143 240 F CA -1.200 56.733 58.000 -0.111 0.000 0.906 240 F CB 0.742 39.594 39.000 -0.246 0.000 1.303 240 F HN 1.160 nan 8.300 nan 0.000 0.447 241 G N 0.663 109.588 108.800 0.209 0.000 2.323 241 G HA2 0.544 4.504 3.960 -0.000 0.000 0.291 241 G HA3 0.544 4.504 3.960 -0.000 0.000 0.291 241 G C -2.368 172.531 174.900 -0.001 0.000 1.278 241 G CA -0.290 44.848 45.100 0.062 0.000 0.860 241 G HN 1.746 nan 8.290 nan 0.000 0.504 242 N N -2.405 116.231 118.700 -0.107 0.000 2.859 242 N HA 0.574 5.314 4.740 -0.000 0.000 0.250 242 N C -1.753 173.750 175.510 -0.012 0.000 1.341 242 N CA -0.847 52.178 53.050 -0.040 0.000 0.881 242 N CB 1.905 40.412 38.487 0.032 0.000 1.516 242 N HN 0.874 nan 8.380 nan 0.000 0.503 243 Y N 0.549 120.855 120.300 0.009 0.000 2.419 243 Y HA 0.687 5.237 4.550 -0.000 0.000 0.328 243 Y C -1.026 174.931 175.900 0.094 0.000 1.162 243 Y CA -0.303 57.883 58.100 0.144 0.000 1.174 243 Y CB 1.998 40.590 38.460 0.220 0.000 1.228 243 Y HN 0.678 nan 8.280 nan 0.000 0.473 244 T N 3.994 118.033 114.554 -0.858 0.000 3.262 244 T HA 0.416 4.766 4.350 -0.000 0.000 0.336 244 T C 0.217 174.329 174.700 -0.981 0.000 0.911 244 T CA -0.448 61.263 62.100 -0.650 0.000 1.154 244 T CB 0.220 68.917 68.868 -0.285 0.000 1.007 244 T HN 0.998 nan 8.240 nan 0.000 0.488 245 G N 0.979 109.041 108.800 -1.230 0.000 2.590 245 G HA2 0.580 4.540 3.960 -0.000 0.000 0.276 245 G HA3 0.580 4.540 3.960 -0.000 0.000 0.276 245 G C 0.581 175.406 174.900 -0.126 0.000 1.337 245 G CA 0.361 45.154 45.100 -0.513 0.000 1.030 245 G HN 1.518 nan 8.290 nan 0.000 0.534 246 G N -3.266 105.579 108.800 0.075 0.000 2.587 246 G HA2 0.278 4.238 3.960 -0.000 0.000 0.686 246 G HA3 0.278 4.238 3.960 -0.000 0.000 0.686 246 G C 0.518 175.526 174.900 0.180 0.000 1.236 246 G CA 0.599 45.752 45.100 0.088 0.000 0.820 246 G HN 1.617 nan 8.290 nan 0.000 0.645 247 T N -3.586 111.067 114.554 0.166 0.000 3.042 247 T HA 0.191 4.541 4.350 -0.000 0.000 0.245 247 T C 2.129 176.977 174.700 0.247 0.000 1.029 247 T CA 2.119 64.364 62.100 0.240 0.000 1.120 247 T CB -0.012 68.936 68.868 0.132 0.000 0.917 247 T HN 1.195 nan 8.240 nan 0.000 0.467 248 T N 0.837 115.474 114.554 0.138 0.000 3.034 248 T HA 0.158 4.508 4.350 -0.000 0.000 0.248 248 T C 0.765 175.501 174.700 0.059 0.000 1.040 248 T CA 0.090 62.253 62.100 0.106 0.000 1.107 248 T CB -0.718 68.192 68.868 0.070 0.000 0.932 248 T HN 0.377 nan 8.240 nan 0.000 0.474 249 T N 4.438 119.012 114.554 0.034 0.000 2.343 249 T HA -0.041 4.309 4.350 -0.000 0.000 0.183 249 T C -2.553 172.132 174.700 -0.024 0.000 1.034 249 T CA -0.094 62.001 62.100 -0.009 0.000 1.198 249 T CB -0.288 68.557 68.868 -0.038 0.000 0.977 249 T HN 0.222 nan 8.240 nan 0.000 0.433 250 P HA 0.356 nan 4.420 nan 0.000 0.288 250 P C -2.358 174.918 177.300 -0.039 0.000 1.267 250 P CA -1.801 61.285 63.100 -0.023 0.000 0.815 250 P CB 0.463 32.155 31.700 -0.013 0.000 0.989 251 P HA 0.192 nan 4.420 nan 0.000 0.275 251 P C -1.104 176.168 177.300 -0.048 0.000 1.228 251 P CA -0.050 63.027 63.100 -0.039 0.000 0.786 251 P CB 0.513 32.192 31.700 -0.034 0.000 0.927 252 V N 0.465 120.346 119.914 -0.055 0.000 2.932 252 V HA 0.672 4.792 4.120 -0.000 0.000 0.307 252 V C -0.684 175.313 176.094 -0.161 0.000 1.147 252 V CA -0.713 61.529 62.300 -0.097 0.000 0.951 252 V CB 1.649 33.424 31.823 -0.079 0.000 1.031 252 V HN 0.385 nan 8.190 nan 0.000 0.426 253 L N 1.715 122.793 121.223 -0.241 0.000 2.403 253 L HA 0.702 5.042 4.340 -0.000 0.000 0.253 253 L C -1.203 175.413 176.870 -0.422 0.000 1.045 253 L CA -0.525 54.091 54.840 -0.373 0.000 0.845 253 L CB 2.821 44.584 42.059 -0.493 0.000 1.447 253 L HN 0.634 nan 8.230 nan 0.000 0.411 254 Q N 1.628 121.145 119.800 -0.471 0.000 2.401 254 Q HA 0.383 4.723 4.340 -0.000 0.000 0.260 254 Q C -1.461 174.371 176.000 -0.280 0.000 1.034 254 Q CA -0.301 55.294 55.803 -0.346 0.000 0.737 254 Q CB 1.374 29.984 28.738 -0.214 0.000 1.227 254 Q HN 0.250 nan 8.270 nan 0.000 0.488 255 F N 1.593 121.477 119.950 -0.111 0.000 2.423 255 F HA 0.364 4.891 4.527 -0.000 0.000 0.356 255 F C 0.554 176.284 175.800 -0.117 0.000 1.170 255 F CA -0.100 57.829 58.000 -0.118 0.000 1.163 255 F CB 0.949 39.888 39.000 -0.102 0.000 1.318 255 F HN 0.110 nan 8.300 nan 0.000 0.569 256 T N 2.522 117.131 114.554 0.092 0.000 3.435 256 T HA 0.143 4.493 4.350 -0.000 0.000 0.344 256 T C 0.232 174.889 174.700 -0.071 0.000 1.211 256 T CA -0.921 61.174 62.100 -0.007 0.000 1.104 256 T CB 0.558 69.420 68.868 -0.011 0.000 1.196 256 T HN 0.646 nan 8.240 nan 0.000 0.471 257 N N 1.409 120.054 118.700 -0.090 0.000 2.322 257 N HA 0.078 4.818 4.740 -0.000 0.000 0.216 257 N C 0.946 176.416 175.510 -0.068 0.000 1.144 257 N CA -0.245 52.736 53.050 -0.114 0.000 0.830 257 N CB 0.358 38.768 38.487 -0.128 0.000 1.034 257 N HN 0.357 nan 8.380 nan 0.000 0.484 258 T N -0.702 113.821 114.554 -0.052 0.000 3.034 258 T HA 0.169 4.519 4.350 -0.000 0.000 0.248 258 T C 0.286 174.970 174.700 -0.027 0.000 1.040 258 T CA 0.020 62.099 62.100 -0.035 0.000 1.107 258 T CB 0.422 69.272 68.868 -0.030 0.000 0.932 258 T HN 0.074 nan 8.240 nan 0.000 0.474 259 L N 3.164 124.367 121.223 -0.033 0.000 2.295 259 L HA 0.505 4.845 4.340 -0.000 0.000 0.285 259 L C 0.098 176.957 176.870 -0.018 0.000 1.035 259 L CA -0.009 54.814 54.840 -0.027 0.000 0.806 259 L CB 0.820 42.856 42.059 -0.038 0.000 1.214 259 L HN 0.143 nan 8.230 nan 0.000 0.426 260 T N 1.001 115.553 114.554 -0.003 0.000 2.918 260 T HA 0.713 5.063 4.350 -0.000 0.000 0.286 260 T C 0.100 174.809 174.700 0.016 0.000 1.026 260 T CA -0.562 61.546 62.100 0.014 0.000 1.031 260 T CB 2.038 70.921 68.868 0.026 0.000 1.046 260 T HN 0.491 nan 8.240 nan 0.000 0.479 261 T N 1.386 115.962 114.554 0.037 0.000 2.887 261 T HA 0.500 4.850 4.350 -0.000 0.000 0.288 261 T C -0.262 174.493 174.700 0.093 0.000 1.021 261 T CA -0.661 61.469 62.100 0.051 0.000 1.000 261 T CB 1.432 70.333 68.868 0.055 0.000 1.034 261 T HN 0.435 nan 8.240 nan 0.000 0.467 262 V N 4.313 124.282 119.914 0.091 0.000 2.339 262 V HA 0.184 4.304 4.120 -0.000 0.000 0.261 262 V C 1.341 177.522 176.094 0.146 0.000 1.058 262 V CA -0.267 62.096 62.300 0.105 0.000 0.897 262 V CB -0.041 31.826 31.823 0.074 0.000 1.052 262 V HN 0.820 nan 8.190 nan 0.000 0.480 263 L N 3.413 124.731 121.223 0.158 0.000 2.633 263 L HA 0.011 4.351 4.340 -0.000 0.000 0.235 263 L C 0.986 177.920 176.870 0.108 0.000 1.163 263 L CA 0.378 55.316 54.840 0.164 0.000 0.859 263 L CB -0.365 41.791 42.059 0.161 0.000 0.973 263 L HN 0.423 nan 8.230 nan 0.000 0.451 264 L N 1.274 122.552 121.223 0.091 0.000 2.485 264 L HA -0.014 4.326 4.340 -0.000 0.000 0.275 264 L C 0.688 177.590 176.870 0.055 0.000 1.207 264 L CA 0.582 55.462 54.840 0.067 0.000 0.855 264 L CB 0.175 42.269 42.059 0.058 0.000 1.114 264 L HN 0.150 nan 8.230 nan 0.000 0.485 265 D N 2.171 122.596 120.400 0.043 0.000 2.506 265 D HA 0.055 4.695 4.640 -0.000 0.000 0.272 265 D C 0.452 176.768 176.300 0.026 0.000 1.214 265 D CA -0.215 53.802 54.000 0.029 0.000 1.067 265 D CB 0.672 41.486 40.800 0.023 0.000 1.117 265 D HN 0.622 nan 8.370 nan 0.000 0.578 266 E N -0.914 119.297 120.200 0.018 0.000 2.347 266 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 266 E C 0.813 177.424 176.600 0.018 0.000 1.008 266 E CA 0.585 56.995 56.400 0.016 0.000 0.852 266 E CB 0.041 29.748 29.700 0.010 0.000 0.783 266 E HN 0.356 nan 8.360 nan 0.000 0.505 267 N N -0.102 118.610 118.700 0.020 0.000 2.230 267 N HA 0.073 4.813 4.740 -0.000 0.000 0.202 267 N C 0.293 175.818 175.510 0.026 0.000 1.119 267 N CA 0.684 53.746 53.050 0.021 0.000 0.851 267 N CB 1.604 40.103 38.487 0.020 0.000 0.990 267 N HN 0.163 nan 8.380 nan 0.000 0.497 268 G N 0.664 109.481 108.800 0.029 0.000 2.370 268 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.268 268 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.268 268 G C 0.404 175.327 174.900 0.039 0.000 1.122 268 G CA 0.188 45.309 45.100 0.034 0.000 0.963 268 G HN 0.195 nan 8.290 nan 0.000 0.500 269 V N -0.469 119.468 119.914 0.039 0.000 3.137 269 V HA 0.669 4.789 4.120 -0.000 0.000 0.236 269 V C 2.067 178.190 176.094 0.049 0.000 1.260 269 V CA 1.621 63.947 62.300 0.042 0.000 1.244 269 V CB -0.078 31.766 31.823 0.036 0.000 1.016 269 V HN 2.311 nan 8.190 nan 0.000 0.477 270 G N 1.488 110.317 108.800 0.049 0.000 2.804 270 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.230 270 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.230 270 G C -2.923 172.012 174.900 0.057 0.000 1.386 270 G CA -0.269 44.866 45.100 0.060 0.000 0.875 270 G HN 0.364 nan 8.290 nan 0.000 0.557 271 P HA 0.703 nan 4.420 nan 0.000 0.279 271 P C -0.630 176.718 177.300 0.080 0.000 1.276 271 P CA -0.577 62.562 63.100 0.066 0.000 0.801 271 P CB 0.709 32.453 31.700 0.074 0.000 1.127 272 L N -0.473 120.799 121.223 0.081 0.000 2.470 272 L HA 0.355 4.695 4.340 -0.000 0.000 0.268 272 L C -0.902 176.035 176.870 0.112 0.000 0.964 272 L CA -0.322 54.576 54.840 0.096 0.000 0.839 272 L CB 0.935 43.032 42.059 0.064 0.000 1.276 272 L HN 0.328 nan 8.230 nan 0.000 0.403 273 C N 2.250 121.644 119.300 0.157 0.000 2.345 273 C HA 0.361 4.821 4.460 -0.000 0.000 0.349 273 C C 0.765 175.848 174.990 0.154 0.000 1.130 273 C CA -1.066 58.060 59.018 0.181 0.000 1.574 273 C CB -1.627 26.231 27.740 0.196 0.000 2.108 273 C HN 0.754 nan 8.230 nan 0.000 0.516 274 K N 2.565 123.042 120.400 0.127 0.000 2.349 274 K HA 0.528 4.848 4.320 -0.000 0.000 0.288 274 K C 0.365 177.043 176.600 0.130 0.000 1.058 274 K CA 0.301 56.647 56.287 0.098 0.000 0.953 274 K CB 0.457 33.002 32.500 0.075 0.000 0.997 274 K HN 0.997 nan 8.250 nan 0.000 0.477 275 G N 2.852 111.715 108.800 0.105 0.000 3.439 275 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.684 275 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.684 275 G C -0.259 174.710 174.900 0.115 0.000 1.005 275 G CA -0.786 44.376 45.100 0.104 0.000 0.837 275 G HN 0.670 nan 8.290 nan 0.000 0.470 276 E N 0.394 120.653 120.200 0.099 0.000 2.401 276 E HA 0.141 4.491 4.350 -0.000 0.000 0.203 276 E C 1.457 178.105 176.600 0.081 0.000 1.229 276 E CA 0.796 57.294 56.400 0.163 0.000 1.000 276 E CB -0.579 29.244 29.700 0.205 0.000 1.052 276 E HN 1.027 nan 8.360 nan 0.000 0.497 277 G N 0.562 109.370 108.800 0.014 0.000 2.348 277 G HA2 0.485 4.445 3.960 -0.000 0.000 0.312 277 G HA3 0.485 4.445 3.960 -0.000 0.000 0.312 277 G C -0.745 174.061 174.900 -0.157 0.000 1.126 277 G CA -0.607 44.374 45.100 -0.197 0.000 0.865 277 G HN 0.235 nan 8.290 nan 0.000 0.474 278 L N 1.736 122.806 121.223 -0.255 0.000 2.309 278 L HA 0.613 4.953 4.340 -0.000 0.000 0.282 278 L C -1.154 175.589 176.870 -0.211 0.000 1.036 278 L CA -1.084 53.696 54.840 -0.101 0.000 0.806 278 L CB 1.292 43.266 42.059 -0.141 0.000 1.220 278 L HN 0.503 nan 8.230 nan 0.000 0.429 279 Y N 4.967 125.226 120.300 -0.068 0.000 2.326 279 Y HA 0.447 4.997 4.550 -0.000 0.000 0.331 279 Y C -0.264 175.588 175.900 -0.080 0.000 0.962 279 Y CA -0.615 57.435 58.100 -0.082 0.000 1.167 279 Y CB 1.438 39.857 38.460 -0.068 0.000 1.148 279 Y HN 0.321 nan 8.280 nan 0.000 0.463 280 L N 3.466 124.667 121.223 -0.038 0.000 2.334 280 L HA 0.811 5.151 4.340 -0.000 0.000 0.275 280 L C -0.404 176.466 176.870 0.001 0.000 1.036 280 L CA -0.655 54.103 54.840 -0.135 0.000 0.807 280 L CB 1.756 43.442 42.059 -0.621 0.000 1.231 280 L HN 0.638 nan 8.230 nan 0.000 0.438 281 S N 1.056 116.865 115.700 0.181 0.000 2.562 281 S HA 0.679 5.149 4.470 -0.000 0.000 0.274 281 S C -0.787 174.163 174.600 0.584 0.000 1.160 281 S CA -0.952 57.441 58.200 0.323 0.000 0.933 281 S CB 1.542 64.871 63.200 0.215 0.000 1.100 281 S HN 0.959 nan 8.310 nan 0.000 0.468 282 C N 0.026 119.680 119.300 0.590 0.000 3.249 282 C HA 0.956 5.416 4.460 -0.000 0.000 0.350 282 C C -1.794 173.293 174.990 0.161 0.000 1.431 282 C CA -0.661 58.667 59.018 0.516 0.000 1.209 282 C CB 0.521 28.615 27.740 0.590 0.000 1.546 282 C HN 1.437 nan 8.230 nan 0.000 0.450 283 V N -0.535 119.408 119.914 0.049 0.000 2.882 283 V HA 0.653 4.773 4.120 -0.000 0.000 0.295 283 V C -1.859 174.255 176.094 0.033 0.000 1.273 283 V CA -0.279 61.959 62.300 -0.103 0.000 0.949 283 V CB 1.893 33.508 31.823 -0.346 0.000 1.071 283 V HN 0.976 nan 8.190 nan 0.000 0.432 284 D N 4.186 124.584 120.400 -0.003 0.000 2.429 284 D HA 0.429 5.069 4.640 -0.000 0.000 0.255 284 D C -0.852 175.389 176.300 -0.097 0.000 1.257 284 D CA -0.119 53.920 54.000 0.066 0.000 0.890 284 D CB 2.191 43.142 40.800 0.252 0.000 1.267 284 D HN 0.446 nan 8.370 nan 0.000 0.521 285 I N 1.547 121.947 120.570 -0.283 0.000 2.395 285 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 285 I C 1.629 177.599 176.117 -0.244 0.000 1.023 285 I CA -0.190 60.955 61.300 -0.257 0.000 1.350 285 I CB 1.034 38.881 38.000 -0.256 0.000 1.409 285 I HN 0.157 nan 8.210 nan 0.000 0.507 286 M N 3.330 122.858 119.600 -0.120 0.000 2.461 286 M HA 0.407 4.887 4.480 -0.000 0.000 0.255 286 M C 0.853 177.059 176.300 -0.155 0.000 1.137 286 M CA 0.145 55.401 55.300 -0.074 0.000 1.086 286 M CB -0.701 31.884 32.600 -0.026 0.000 1.356 286 M HN 0.834 nan 8.290 nan 0.000 0.487 287 G N 0.108 108.786 108.800 -0.203 0.000 2.331 287 G HA2 0.027 3.987 3.960 -0.000 0.000 0.402 287 G HA3 0.027 3.987 3.960 -0.000 0.000 0.402 287 G C -2.095 172.629 174.900 -0.293 0.000 1.275 287 G CA -0.938 43.848 45.100 -0.523 0.000 1.003 287 G HN 0.315 nan 8.290 nan 0.000 0.500 288 W N 0.086 121.455 121.300 0.114 0.000 2.449 288 W HA 0.845 5.505 4.660 -0.000 0.000 0.331 288 W C 0.545 177.160 176.519 0.161 0.000 1.119 288 W CA -1.135 56.276 57.345 0.110 0.000 1.240 288 W CB 0.793 30.097 29.460 -0.259 0.000 1.251 288 W HN 0.646 nan 8.180 nan 0.000 0.576 289 R N 1.221 121.975 120.500 0.424 0.000 2.500 289 R HA 0.685 5.025 4.340 -0.000 0.000 0.277 289 R C -1.468 174.924 176.300 0.153 0.000 1.026 289 R CA -0.654 55.602 56.100 0.259 0.000 1.058 289 R CB 1.241 31.664 30.300 0.205 0.000 1.078 289 R HN 0.576 nan 8.270 nan 0.000 0.509 290 V N 2.145 122.102 119.914 0.070 0.000 2.447 290 V HA 0.193 4.313 4.120 -0.000 0.000 0.292 290 V C -0.076 175.950 176.094 -0.114 0.000 1.021 290 V CA -1.125 61.147 62.300 -0.046 0.000 0.850 290 V CB 1.171 32.954 31.823 -0.067 0.000 1.005 290 V HN 0.990 nan 8.190 nan 0.000 0.426 291 T N 1.179 115.623 114.554 -0.184 0.000 2.905 291 T HA 0.026 4.376 4.350 -0.000 0.000 0.299 291 T C 1.224 175.845 174.700 -0.133 0.000 1.024 291 T CA -0.113 61.913 62.100 -0.123 0.000 1.151 291 T CB 1.066 69.878 68.868 -0.094 0.000 0.987 291 T HN 0.753 nan 8.240 nan 0.000 0.535 292 R N 3.110 123.496 120.500 -0.190 0.000 2.120 292 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 292 R C 2.041 178.145 176.300 -0.327 0.000 1.123 292 R CA 1.685 57.560 56.100 -0.374 0.000 0.975 292 R CB -0.886 28.776 30.300 -1.065 0.000 0.866 292 R HN 0.936 nan 8.270 nan 0.000 0.446 293 N N -0.768 117.773 118.700 -0.265 0.000 2.055 293 N HA -0.253 4.487 4.740 -0.000 0.000 0.200 293 N C 0.092 175.569 175.510 -0.055 0.000 1.037 293 N CA 1.671 54.614 53.050 -0.179 0.000 0.881 293 N CB -0.118 38.304 38.487 -0.108 0.000 1.075 293 N HN 0.186 nan 8.380 nan 0.000 0.470 294 Y N -0.439 119.763 120.300 -0.163 0.000 3.059 294 Y HA 0.261 4.811 4.550 -0.000 0.000 0.301 294 Y C -0.829 174.961 175.900 -0.184 0.000 1.677 294 Y CA -1.396 56.613 58.100 -0.150 0.000 1.079 294 Y CB 0.371 38.761 38.460 -0.116 0.000 1.534 294 Y HN -0.032 nan 8.280 nan 0.000 0.473 295 D N 0.579 120.885 120.400 -0.156 0.000 3.134 295 D HA 0.271 4.911 4.640 -0.000 0.000 0.248 295 D C -0.751 175.413 176.300 -0.226 0.000 1.273 295 D CA 0.306 54.123 54.000 -0.306 0.000 0.904 295 D CB -0.173 40.367 40.800 -0.432 0.000 1.089 295 D HN 0.061 nan 8.370 nan 0.000 0.478 296 V N 1.012 120.869 119.914 -0.096 0.000 2.352 296 V HA 0.018 4.138 4.120 -0.000 0.000 0.253 296 V C 0.873 176.895 176.094 -0.120 0.000 1.083 296 V CA -0.230 62.052 62.300 -0.030 0.000 0.993 296 V CB -0.015 31.844 31.823 0.060 0.000 1.111 296 V HN 0.432 nan 8.190 nan 0.000 0.490 297 H N 3.632 122.588 119.070 -0.190 0.000 2.813 297 H HA 0.160 4.716 4.556 -0.000 0.000 0.312 297 H C 0.637 175.904 175.328 -0.102 0.000 1.228 297 H CA -0.746 55.161 56.048 -0.236 0.000 1.154 297 H CB -0.172 29.344 29.762 -0.410 0.000 1.418 297 H HN 0.939 nan 8.280 nan 0.000 0.525 298 H N -1.346 117.832 119.070 0.179 0.000 2.929 298 H HA 0.006 4.562 4.556 -0.000 0.000 0.317 298 H C -0.092 175.583 175.328 0.578 0.000 1.031 298 H CA -0.851 55.383 56.048 0.309 0.000 1.466 298 H CB -0.133 29.747 29.762 0.197 0.000 1.482 298 H HN 0.405 nan 8.280 nan 0.000 0.561 299 W N 2.946 124.578 121.300 0.554 0.000 2.184 299 W HA 0.486 5.146 4.660 -0.000 0.000 0.338 299 W C -0.158 176.652 176.519 0.485 0.000 1.257 299 W CA -1.573 56.056 57.345 0.472 0.000 1.243 299 W CB 0.693 30.330 29.460 0.295 0.000 1.122 299 W HN 0.586 nan 8.180 nan 0.000 0.585 300 R N 1.487 122.283 120.500 0.493 0.000 2.778 300 R HA 0.713 5.053 4.340 -0.000 0.000 0.277 300 R C -0.430 175.785 176.300 -0.142 0.000 0.977 300 R CA -0.560 55.538 56.100 -0.003 0.000 0.950 300 R CB 1.851 32.068 30.300 -0.138 0.000 1.165 300 R HN 0.850 nan 8.270 nan 0.000 0.474 301 G N 2.293 110.923 108.800 -0.284 0.000 2.658 301 G HA2 0.636 4.596 3.960 -0.000 0.000 0.292 301 G HA3 0.636 4.596 3.960 -0.000 0.000 0.292 301 G C -1.624 173.142 174.900 -0.224 0.000 1.320 301 G CA -0.737 44.236 45.100 -0.211 0.000 0.933 301 G HN 0.438 nan 8.290 nan 0.000 0.476 302 L N 0.673 121.825 121.223 -0.119 0.000 2.309 302 L HA 0.590 4.930 4.340 -0.000 0.000 0.261 302 L C -2.175 174.671 176.870 -0.041 0.000 1.021 302 L CA -2.105 52.676 54.840 -0.099 0.000 0.823 302 L CB 3.344 45.368 42.059 -0.059 0.000 1.366 302 L HN 0.335 nan 8.230 nan 0.000 0.423 303 P HA 0.275 nan 4.420 nan 0.000 0.281 303 P C -1.580 175.774 177.300 0.090 0.000 1.249 303 P CA -0.638 62.500 63.100 0.064 0.000 0.810 303 P CB 1.606 33.338 31.700 0.054 0.000 1.008 304 R N 1.863 122.479 120.500 0.193 0.000 2.670 304 R HA 0.403 4.743 4.340 -0.000 0.000 0.289 304 R C -1.290 175.170 176.300 0.267 0.000 0.965 304 R CA -0.789 55.385 56.100 0.124 0.000 0.899 304 R CB 1.133 31.456 30.300 0.038 0.000 1.173 304 R HN 0.501 nan 8.270 nan 0.000 0.456 305 Y N 3.491 123.697 120.300 -0.158 0.000 2.453 305 Y HA 0.554 5.104 4.550 -0.000 0.000 0.326 305 Y C -1.608 174.034 175.900 -0.431 0.000 1.186 305 Y CA -0.536 57.550 58.100 -0.024 0.000 1.200 305 Y CB 1.052 39.466 38.460 -0.077 0.000 1.247 305 Y HN 0.493 nan 8.280 nan 0.000 0.482 306 F N 3.479 123.041 119.950 -0.647 0.000 2.581 306 F HA 0.411 4.938 4.527 -0.000 0.000 0.311 306 F C -0.754 174.593 175.800 -0.756 0.000 1.113 306 F CA -1.170 56.536 58.000 -0.489 0.000 0.935 306 F CB 2.104 40.946 39.000 -0.263 0.000 1.232 306 F HN 0.356 nan 8.300 nan 0.000 0.445 307 K N 4.221 124.531 120.400 -0.151 0.000 2.626 307 K HA 0.576 4.896 4.320 -0.000 0.000 0.223 307 K C -1.705 174.906 176.600 0.019 0.000 0.992 307 K CA -0.446 55.796 56.287 -0.076 0.000 1.024 307 K CB 0.577 33.163 32.500 0.144 0.000 1.225 307 K HN 0.545 nan 8.250 nan 0.000 0.498 308 I N 2.677 123.243 120.570 -0.006 0.000 2.365 308 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 308 I C 0.134 176.238 176.117 -0.020 0.000 1.004 308 I CA -0.234 61.072 61.300 0.010 0.000 1.311 308 I CB 1.722 39.719 38.000 -0.005 0.000 1.401 308 I HN 0.385 nan 8.210 nan 0.000 0.491 309 T N 6.589 121.147 114.554 0.007 0.000 2.788 309 T HA 0.800 5.150 4.350 -0.000 0.000 0.296 309 T C -0.475 174.232 174.700 0.011 0.000 1.009 309 T CA -0.710 61.392 62.100 0.003 0.000 0.949 309 T CB 0.385 69.270 68.868 0.029 0.000 0.946 309 T HN 0.287 nan 8.240 nan 0.000 0.453 310 L N 1.344 122.557 121.223 -0.016 0.000 2.388 310 L HA 0.841 5.181 4.340 -0.000 0.000 0.264 310 L C 0.010 176.950 176.870 0.118 0.000 0.998 310 L CA -1.363 53.499 54.840 0.037 0.000 0.817 310 L CB 1.607 43.663 42.059 -0.005 0.000 1.338 310 L HN 0.697 nan 8.230 nan 0.000 0.414 311 R N 0.009 120.628 120.500 0.199 0.000 3.006 311 R HA 0.729 5.069 4.340 -0.000 0.000 0.235 311 R C -1.062 175.392 176.300 0.257 0.000 1.362 311 R CA -1.057 55.178 56.100 0.224 0.000 1.067 311 R CB 1.224 31.592 30.300 0.113 0.000 1.396 311 R HN 0.490 nan 8.270 nan 0.000 0.504 312 K N 1.134 121.571 120.400 0.063 0.000 2.263 312 K HA 0.277 4.597 4.320 -0.000 0.000 0.272 312 K C -0.591 175.876 176.600 -0.220 0.000 1.033 312 K CA -0.558 55.610 56.287 -0.198 0.000 0.884 312 K CB 1.621 33.913 32.500 -0.346 0.000 1.107 312 K HN 0.366 nan 8.250 nan 0.000 0.460 313 R N 3.113 123.480 120.500 -0.222 0.000 2.494 313 R HA 0.236 4.576 4.340 -0.000 0.000 0.305 313 R C -1.161 175.031 176.300 -0.181 0.000 0.959 313 R CA -0.661 55.353 56.100 -0.145 0.000 0.864 313 R CB 0.962 31.259 30.300 -0.005 0.000 1.159 313 R HN 0.588 nan 8.270 nan 0.000 0.446 314 W N 4.695 125.971 121.300 -0.040 0.000 2.266 314 W HA 0.257 4.917 4.660 -0.000 0.000 0.317 314 W C 0.163 176.659 176.519 -0.039 0.000 1.310 314 W CA -0.339 56.978 57.345 -0.046 0.000 1.207 314 W CB 1.272 30.709 29.460 -0.038 0.000 1.199 314 W HN 0.263 nan 8.180 nan 0.000 0.544 315 V N 1.910 122.010 119.914 0.310 0.000 2.888 315 V HA 0.471 4.591 4.120 -0.000 0.000 0.309 315 V C -0.377 175.780 176.094 0.105 0.000 1.114 315 V CA -1.777 60.608 62.300 0.142 0.000 0.940 315 V CB 1.704 33.564 31.823 0.063 0.000 1.021 315 V HN 0.310 nan 8.190 nan 0.000 0.426 316 K N 3.303 123.726 120.400 0.039 0.000 2.447 316 K HA 0.133 4.453 4.320 -0.000 0.000 0.281 316 K C 0.150 176.727 176.600 -0.038 0.000 1.031 316 K CA 0.581 56.866 56.287 -0.004 0.000 1.019 316 K CB 0.204 32.690 32.500 -0.024 0.000 0.918 316 K HN 1.081 nan 8.250 nan 0.000 0.476 317 N N 5.875 124.549 118.700 -0.043 0.000 2.458 317 N HA -0.001 4.739 4.740 -0.000 0.000 0.258 317 N C -1.522 173.868 175.510 -0.200 0.000 1.219 317 N CA -0.793 52.199 53.050 -0.096 0.000 0.902 317 N CB 0.709 39.160 38.487 -0.060 0.000 1.076 317 N HN 0.340 nan 8.380 nan 0.000 0.455 318 P HA -0.102 nan 4.420 nan 0.000 0.206 318 P C -0.454 176.421 177.300 -0.708 0.000 1.209 318 P CA 1.276 63.935 63.100 -0.735 0.000 0.923 318 P CB -0.180 30.689 31.700 -1.385 0.000 0.761 319 Y N 0.184 120.490 120.300 0.009 0.000 2.336 319 Y HA 0.408 4.958 4.550 -0.000 0.000 0.335 319 Y C -1.980 173.925 175.900 0.008 0.000 1.046 319 Y CA -3.709 54.394 58.100 0.006 0.000 1.198 319 Y CB -1.311 37.151 38.460 0.002 0.000 1.182 319 Y HN 0.044 nan 8.280 nan 0.000 0.502 320 P HA -0.076 nan 4.420 nan 0.000 0.256 320 P C 0.709 178.048 177.300 0.066 0.000 1.173 320 P CA 0.116 63.252 63.100 0.061 0.000 0.768 320 P CB 0.492 32.228 31.700 0.060 0.000 0.758 321 M N 4.103 123.731 119.600 0.047 0.000 2.706 321 M HA -0.308 4.172 4.480 -0.000 0.000 0.266 321 M C 2.114 178.446 176.300 0.055 0.000 1.060 321 M CA 2.550 57.879 55.300 0.048 0.000 1.070 321 M CB -2.295 30.328 32.600 0.038 0.000 1.241 321 M HN 0.480 nan 8.290 nan 0.000 0.488 322 A N -0.398 122.455 122.820 0.054 0.000 1.923 322 A HA -0.323 3.997 4.320 -0.000 0.000 0.222 322 A C 2.451 180.074 177.584 0.065 0.000 1.258 322 A CA 3.603 55.677 52.037 0.062 0.000 0.670 322 A CB -1.544 17.487 19.000 0.051 0.000 0.834 322 A HN 0.627 nan 8.150 nan 0.000 0.470 323 S N -0.877 114.857 115.700 0.058 0.000 2.369 323 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 323 S C 1.937 176.564 174.600 0.045 0.000 1.043 323 S CA 1.862 60.094 58.200 0.053 0.000 1.074 323 S CB -0.456 62.779 63.200 0.058 0.000 0.962 323 S HN 0.367 nan 8.310 nan 0.000 0.433 324 L N 1.961 123.210 121.223 0.044 0.000 1.989 324 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 324 L C 2.544 179.409 176.870 -0.009 0.000 1.071 324 L CA 1.518 56.369 54.840 0.018 0.000 0.749 324 L CB -1.905 40.171 42.059 0.028 0.000 0.890 324 L HN 0.366 nan 8.230 nan 0.000 0.431 325 I N 0.314 120.894 120.570 0.017 0.000 2.053 325 I HA -0.328 3.842 4.170 -0.000 0.000 0.236 325 I C 2.417 178.575 176.117 0.069 0.000 1.038 325 I CA 1.866 63.180 61.300 0.023 0.000 1.304 325 I CB -1.416 36.663 38.000 0.132 0.000 1.023 325 I HN 0.256 nan 8.210 nan 0.000 0.395 326 S N 0.729 116.526 115.700 0.163 0.000 2.515 326 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 326 S C 1.964 176.630 174.600 0.111 0.000 0.987 326 S CA 0.961 59.281 58.200 0.201 0.000 0.936 326 S CB -0.263 63.027 63.200 0.149 0.000 0.766 326 S HN 0.636 nan 8.310 nan 0.000 0.528 327 S N 1.558 117.287 115.700 0.048 0.000 2.414 327 S HA 0.106 4.576 4.470 -0.000 0.000 0.227 327 S C 1.645 176.245 174.600 0.000 0.000 1.022 327 S CA 0.214 58.427 58.200 0.021 0.000 0.958 327 S CB -0.311 62.889 63.200 0.001 0.000 0.797 327 S HN 0.219 nan 8.310 nan 0.000 0.493 328 L N 0.844 122.039 121.223 -0.046 0.000 1.960 328 L HA 0.188 4.528 4.340 -0.000 0.000 0.209 328 L C 2.296 179.135 176.870 -0.052 0.000 1.090 328 L CA 1.631 56.398 54.840 -0.122 0.000 0.759 328 L CB -1.853 40.034 42.059 -0.287 0.000 0.892 328 L HN 0.238 nan 8.230 nan 0.000 0.436 329 F N 0.963 120.915 119.950 0.004 0.000 2.269 329 F HA -0.282 4.245 4.527 -0.000 0.000 0.300 329 F C 2.108 177.909 175.800 0.002 0.000 1.035 329 F CA 1.225 59.227 58.000 0.003 0.000 1.373 329 F CB -0.950 38.052 39.000 0.004 0.000 1.094 329 F HN 0.383 nan 8.300 nan 0.000 0.535 330 N N -1.202 117.600 118.700 0.169 0.000 2.432 330 N HA -0.036 4.704 4.740 -0.000 0.000 0.174 330 N C 1.320 176.867 175.510 0.062 0.000 1.037 330 N CA 0.434 53.543 53.050 0.099 0.000 0.892 330 N CB -0.482 38.049 38.487 0.073 0.000 1.049 330 N HN 0.188 nan 8.380 nan 0.000 0.442 331 N N 0.255 118.981 118.700 0.043 0.000 2.571 331 N HA -0.016 4.724 4.740 -0.000 0.000 0.189 331 N C 0.332 175.857 175.510 0.025 0.000 1.154 331 N CA 0.492 53.554 53.050 0.020 0.000 0.907 331 N CB 0.187 38.673 38.487 -0.001 0.000 0.977 331 N HN 0.186 nan 8.380 nan 0.000 0.449 332 M N -0.187 119.443 119.600 0.049 0.000 2.516 332 M HA 0.156 4.636 4.480 -0.000 0.000 0.259 332 M C 0.517 176.846 176.300 0.047 0.000 1.146 332 M CA 0.095 55.426 55.300 0.053 0.000 1.122 332 M CB -0.167 32.490 32.600 0.096 0.000 1.341 332 M HN -0.116 nan 8.290 nan 0.000 0.478 333 L N 1.922 123.174 121.223 0.047 0.000 2.492 333 L HA 0.092 4.432 4.340 -0.000 0.000 0.280 333 L C -1.739 175.145 176.870 0.024 0.000 1.240 333 L CA -0.862 53.999 54.840 0.034 0.000 0.831 333 L CB -0.657 41.421 42.059 0.031 0.000 1.100 333 L HN 0.067 nan 8.230 nan 0.000 0.505 334 P HA 0.049 nan 4.420 nan 0.000 0.269 334 P C -0.621 176.686 177.300 0.012 0.000 1.217 334 P CA -0.401 62.707 63.100 0.014 0.000 0.783 334 P CB 0.408 32.115 31.700 0.011 0.000 0.898 335 Q N 0.605 120.410 119.800 0.009 0.000 2.256 335 Q HA 0.457 4.797 4.340 -0.000 0.000 0.254 335 Q C -0.747 175.257 176.000 0.006 0.000 0.916 335 Q CA -0.389 55.418 55.803 0.008 0.000 0.932 335 Q CB 1.182 29.923 28.738 0.006 0.000 1.207 335 Q HN 0.297 nan 8.270 nan 0.000 0.426 336 V N 0.664 120.582 119.914 0.006 0.000 2.612 336 V HA 0.500 4.620 4.120 -0.000 0.000 0.301 336 V C -0.571 175.526 176.094 0.005 0.000 1.059 336 V CA -1.075 61.228 62.300 0.005 0.000 0.886 336 V CB 1.842 33.669 31.823 0.006 0.000 1.007 336 V HN 0.654 nan 8.190 nan 0.000 0.426 337 Q N 2.776 122.578 119.800 0.004 0.000 2.245 337 Q HA 0.856 5.196 4.340 -0.000 0.000 0.256 337 Q C -0.351 175.651 176.000 0.003 0.000 0.942 337 Q CA 0.202 56.007 55.803 0.003 0.000 0.896 337 Q CB 2.092 30.832 28.738 0.003 0.000 1.272 337 Q HN 1.299 nan 8.270 nan 0.000 0.442 338 G N 2.110 110.912 108.800 0.003 0.000 2.576 338 G HA2 0.169 4.129 3.960 -0.000 0.000 0.290 338 G HA3 0.169 4.129 3.960 -0.000 0.000 0.290 338 G C -1.390 173.512 174.900 0.004 0.000 1.442 338 G CA -0.796 44.306 45.100 0.004 0.000 0.792 338 G HN 0.634 nan 8.290 nan 0.000 0.491 339 Q N 0.626 120.428 119.800 0.004 0.000 2.375 339 Q HA 0.045 4.385 4.340 -0.000 0.000 0.344 339 Q C -1.664 174.339 176.000 0.004 0.000 1.169 339 Q CA -0.231 55.574 55.803 0.004 0.000 1.035 339 Q CB 0.447 29.188 28.738 0.004 0.000 1.222 339 Q HN 0.323 nan 8.270 nan 0.000 0.412 340 P HA -0.027 nan 4.420 nan 0.000 0.269 340 P C -0.763 176.540 177.300 0.005 0.000 1.263 340 P CA 0.249 63.352 63.100 0.004 0.000 0.813 340 P CB 0.495 32.197 31.700 0.004 0.000 0.868 341 M N 2.652 122.256 119.600 0.006 0.000 2.869 341 M HA 0.249 4.729 4.480 -0.000 0.000 0.353 341 M C 0.366 176.670 176.300 0.007 0.000 1.224 341 M CA -0.159 55.145 55.300 0.007 0.000 0.917 341 M CB -0.547 32.057 32.600 0.007 0.000 1.322 341 M HN 0.508 nan 8.290 nan 0.000 0.516 342 E N -1.169 119.035 120.200 0.006 0.000 2.373 342 E HA 0.470 4.820 4.350 -0.000 0.000 0.272 342 E C -0.363 176.240 176.600 0.005 0.000 1.231 342 E CA 0.446 56.850 56.400 0.006 0.000 0.906 342 E CB 0.378 30.081 29.700 0.005 0.000 1.397 342 E HN 0.322 nan 8.360 nan 0.000 0.410 343 G N 1.619 110.422 108.800 0.005 0.000 2.482 343 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.214 343 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.214 343 G C 0.234 175.136 174.900 0.004 0.000 1.271 343 G CA 0.314 45.416 45.100 0.004 0.000 0.944 343 G HN 0.593 nan 8.290 nan 0.000 0.568 344 E N 0.283 120.485 120.200 0.003 0.000 2.472 344 E HA 0.177 4.527 4.350 -0.000 0.000 0.196 344 E C 0.806 177.408 176.600 0.003 0.000 1.033 344 E CA 0.564 56.966 56.400 0.003 0.000 0.886 344 E CB -0.014 29.687 29.700 0.002 0.000 0.944 344 E HN 0.410 nan 8.360 nan 0.000 0.492 345 N N 0.043 118.745 118.700 0.004 0.000 2.571 345 N HA 0.094 4.834 4.740 -0.000 0.000 0.298 345 N C -1.438 174.076 175.510 0.005 0.000 1.671 345 N CA -0.208 52.845 53.050 0.004 0.000 0.900 345 N CB 1.609 40.097 38.487 0.003 0.000 1.365 345 N HN -0.145 nan 8.380 nan 0.000 0.493 346 T N 0.970 115.528 114.554 0.006 0.000 2.908 346 T HA -0.043 4.307 4.350 -0.000 0.000 0.301 346 T C 1.144 175.848 174.700 0.008 0.000 1.019 346 T CA 0.237 62.341 62.100 0.007 0.000 1.152 346 T CB 0.721 69.594 68.868 0.009 0.000 0.966 346 T HN 0.270 nan 8.240 nan 0.000 0.540 347 Q N 1.135 120.939 119.800 0.007 0.000 2.291 347 Q HA 0.146 4.486 4.340 -0.000 0.000 0.211 347 Q C 0.202 176.207 176.000 0.009 0.000 0.925 347 Q CA -0.021 55.787 55.803 0.007 0.000 0.949 347 Q CB 0.169 28.911 28.738 0.007 0.000 1.015 347 Q HN 0.414 nan 8.270 nan 0.000 0.477 348 V N 1.466 121.386 119.914 0.010 0.000 2.347 348 V HA 0.081 4.201 4.120 -0.000 0.000 0.280 348 V C 0.263 176.365 176.094 0.013 0.000 1.021 348 V CA -0.168 62.139 62.300 0.012 0.000 0.847 348 V CB 1.253 33.084 31.823 0.012 0.000 0.990 348 V HN 0.264 nan 8.190 nan 0.000 0.444 349 E N 4.610 124.818 120.200 0.014 0.000 2.463 349 E HA 0.264 4.614 4.350 -0.000 0.000 0.193 349 E C -0.075 176.536 176.600 0.019 0.000 1.041 349 E CA -0.014 56.395 56.400 0.016 0.000 0.879 349 E CB 0.671 30.379 29.700 0.014 0.000 0.997 349 E HN 0.698 nan 8.360 nan 0.000 0.478 350 E N 0.053 120.265 120.200 0.019 0.000 2.388 350 E HA 0.382 4.732 4.350 -0.000 0.000 0.282 350 E C -2.177 174.436 176.600 0.020 0.000 1.026 350 E CA -0.753 55.660 56.400 0.022 0.000 0.820 350 E CB 2.099 31.814 29.700 0.025 0.000 1.226 350 E HN -0.079 nan 8.360 nan 0.000 0.432 351 V N 3.972 123.896 119.914 0.016 0.000 2.823 351 V HA 0.635 4.755 4.120 -0.000 0.000 0.296 351 V C -1.405 174.681 176.094 -0.014 0.000 1.250 351 V CA -0.313 61.992 62.300 0.010 0.000 0.939 351 V CB 1.636 33.462 31.823 0.005 0.000 1.062 351 V HN 0.756 nan 8.190 nan 0.000 0.433 352 R N 3.149 123.651 120.500 0.004 0.000 2.939 352 R HA 0.979 5.319 4.340 -0.000 0.000 0.254 352 R C -1.317 174.966 176.300 -0.028 0.000 1.123 352 R CA -0.547 55.514 56.100 -0.065 0.000 1.020 352 R CB 2.426 32.702 30.300 -0.041 0.000 1.206 352 R HN 0.729 nan 8.270 nan 0.000 0.491 353 V N -1.110 118.698 119.914 -0.176 0.000 3.000 353 V HA 0.608 4.728 4.120 -0.000 0.000 0.300 353 V C -1.712 174.288 176.094 -0.157 0.000 1.251 353 V CA -1.116 61.171 62.300 -0.021 0.000 0.972 353 V CB 1.614 33.400 31.823 -0.062 0.000 1.065 353 V HN 0.669 nan 8.190 nan 0.000 0.431 354 Y N 0.793 121.082 120.300 -0.017 0.000 2.625 354 Y HA 0.826 5.376 4.550 -0.000 0.000 0.338 354 Y C 0.310 176.204 175.900 -0.010 0.000 1.123 354 Y CA -0.926 57.167 58.100 -0.012 0.000 1.046 354 Y CB 2.152 40.607 38.460 -0.007 0.000 1.299 354 Y HN 0.729 nan 8.280 nan 0.000 0.464 355 D N -0.929 119.572 120.400 0.168 0.000 1.927 355 D HA 0.148 4.788 4.640 -0.000 0.000 0.390 355 D C 0.854 177.196 176.300 0.071 0.000 1.045 355 D CA 0.859 54.911 54.000 0.087 0.000 0.947 355 D CB 0.381 41.213 40.800 0.052 0.000 1.818 355 D HN 0.777 nan 8.370 nan 0.000 0.543 356 G N -0.516 108.334 108.800 0.082 0.000 2.494 356 G HA2 0.487 4.447 3.960 -0.000 0.000 0.270 356 G HA3 0.487 4.447 3.960 -0.000 0.000 0.270 356 G C -0.407 174.534 174.900 0.068 0.000 1.423 356 G CA 0.451 45.589 45.100 0.062 0.000 1.055 356 G HN 0.231 nan 8.290 nan 0.000 0.536 357 T N -1.740 112.844 114.554 0.051 0.000 3.233 357 T HA 0.414 4.764 4.350 -0.000 0.000 0.324 357 T C -0.321 174.402 174.700 0.038 0.000 0.992 357 T CA -0.633 61.492 62.100 0.042 0.000 1.414 357 T CB 0.671 69.553 68.868 0.023 0.000 0.935 357 T HN 0.787 nan 8.240 nan 0.000 0.544 358 E N 2.792 123.021 120.200 0.048 0.000 2.342 358 E HA 0.598 4.948 4.350 -0.000 0.000 0.257 358 E C -2.108 174.512 176.600 0.033 0.000 1.150 358 E CA -1.777 54.645 56.400 0.037 0.000 0.926 358 E CB 0.480 30.204 29.700 0.040 0.000 1.074 358 E HN 0.362 nan 8.360 nan 0.000 0.449 359 P HA 0.074 nan 4.420 nan 0.000 0.278 359 P C -0.179 177.137 177.300 0.026 0.000 1.258 359 P CA -0.574 62.538 63.100 0.021 0.000 0.811 359 P CB 0.736 32.445 31.700 0.015 0.000 1.063 360 V N 2.772 122.700 119.914 0.023 0.000 2.780 360 V HA -0.090 4.030 4.120 -0.000 0.000 0.301 360 V C -0.710 175.400 176.094 0.027 0.000 1.168 360 V CA -0.125 62.191 62.300 0.026 0.000 1.305 360 V CB -1.036 30.799 31.823 0.020 0.000 0.858 360 V HN 0.743 nan 8.190 nan 0.000 0.502 361 P HA 0.386 nan 4.420 nan 0.000 0.341 361 P C 0.455 177.771 177.300 0.027 0.000 1.332 361 P CA 0.415 63.534 63.100 0.032 0.000 0.769 361 P CB 1.123 32.847 31.700 0.040 0.000 1.726 362 G N -1.075 107.742 108.800 0.028 0.000 2.727 362 G HA2 0.094 4.054 3.960 -0.000 0.000 0.212 362 G HA3 0.094 4.054 3.960 -0.000 0.000 0.212 362 G C -0.268 174.650 174.900 0.031 0.000 2.076 362 G CA 0.116 45.231 45.100 0.025 0.000 0.744 362 G HN 0.572 nan 8.290 nan 0.000 0.775 363 D N 2.211 122.632 120.400 0.036 0.000 2.662 363 D HA 0.026 4.666 4.640 -0.000 0.000 0.237 363 D C -0.680 175.644 176.300 0.042 0.000 1.154 363 D CA -1.039 52.986 54.000 0.041 0.000 0.861 363 D CB 1.500 42.331 40.800 0.051 0.000 1.146 363 D HN 0.058 nan 8.370 nan 0.000 0.518 364 P HA -0.067 nan 4.420 nan 0.000 0.219 364 P C 0.605 177.932 177.300 0.046 0.000 1.154 364 P CA 0.426 63.553 63.100 0.045 0.000 0.826 364 P CB 0.267 31.991 31.700 0.040 0.000 0.795 365 D N 0.692 121.116 120.400 0.040 0.000 2.494 365 D HA 0.042 4.682 4.640 -0.000 0.000 0.249 365 D C 0.858 177.181 176.300 0.037 0.000 1.223 365 D CA -0.255 53.768 54.000 0.037 0.000 0.865 365 D CB -1.146 39.673 40.800 0.032 0.000 0.974 365 D HN 0.223 nan 8.370 nan 0.000 0.491 366 M N -1.334 118.291 119.600 0.041 0.000 2.242 366 M HA 0.310 4.790 4.480 -0.000 0.000 0.344 366 M C -0.216 176.105 176.300 0.034 0.000 1.140 366 M CA -0.110 55.216 55.300 0.044 0.000 1.160 366 M CB 1.206 33.834 32.600 0.047 0.000 1.491 366 M HN -0.240 nan 8.290 nan 0.000 0.459 367 T N 1.241 115.820 114.554 0.041 0.000 2.893 367 T HA 0.785 5.135 4.350 -0.000 0.000 0.279 367 T C -0.707 174.021 174.700 0.047 0.000 0.991 367 T CA -0.856 61.270 62.100 0.042 0.000 0.950 367 T CB 1.134 70.034 68.868 0.053 0.000 1.223 367 T HN 0.790 nan 8.240 nan 0.000 0.585 368 R N -0.374 120.167 120.500 0.068 0.000 2.764 368 R HA 0.511 4.851 4.340 -0.000 0.000 0.250 368 R C -2.497 173.874 176.300 0.117 0.000 1.122 368 R CA -0.505 55.634 56.100 0.064 0.000 1.022 368 R CB 0.805 31.092 30.300 -0.021 0.000 1.266 368 R HN 0.745 nan 8.270 nan 0.000 0.454 369 Y N 1.852 122.144 120.300 -0.013 0.000 2.655 369 Y HA 0.714 5.264 4.550 -0.000 0.000 0.336 369 Y C -1.339 174.568 175.900 0.010 0.000 1.154 369 Y CA -0.532 57.565 58.100 -0.006 0.000 1.055 369 Y CB 2.319 40.780 38.460 0.001 0.000 1.295 369 Y HN 0.305 nan 8.280 nan 0.000 0.465 370 V N 2.590 122.628 119.914 0.206 0.000 2.686 370 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 370 V C -1.445 174.836 176.094 0.312 0.000 1.065 370 V CA -0.794 61.613 62.300 0.178 0.000 0.894 370 V CB 1.804 33.652 31.823 0.041 0.000 1.004 370 V HN 0.682 nan 8.190 nan 0.000 0.424 371 D N 2.798 123.364 120.400 0.277 0.000 2.947 371 D HA 0.446 5.086 4.640 -0.000 0.000 0.224 371 D C 0.584 177.015 176.300 0.218 0.000 1.230 371 D CA -0.499 53.643 54.000 0.236 0.000 0.871 371 D CB 2.204 43.121 40.800 0.196 0.000 1.671 371 D HN 0.466 nan 8.370 nan 0.000 0.507 372 R N 1.766 122.259 120.500 -0.011 0.000 4.052 372 R HA -0.267 4.073 4.340 -0.000 0.000 0.436 372 R C 0.347 176.277 176.300 -0.616 0.000 0.976 372 R CA 2.371 58.198 56.100 -0.454 0.000 1.625 372 R CB -1.267 28.589 30.300 -0.740 0.000 2.267 372 R HN 0.628 nan 8.270 nan 0.000 0.525 373 F N -4.799 115.174 119.950 0.038 0.000 1.672 373 F HA 0.205 4.732 4.527 -0.000 0.000 0.328 373 F C 0.868 176.686 175.800 0.029 0.000 1.159 373 F CA -0.345 57.672 58.000 0.028 0.000 1.244 373 F CB -0.881 38.132 39.000 0.022 0.000 1.831 373 F HN 0.006 nan 8.300 nan 0.000 0.230 374 G N 2.071 111.105 108.800 0.390 0.000 2.377 374 G HA2 0.488 4.448 3.960 -0.000 0.000 0.299 374 G HA3 0.488 4.448 3.960 -0.000 0.000 0.299 374 G C -0.859 174.129 174.900 0.146 0.000 1.150 374 G CA -0.476 44.717 45.100 0.156 0.000 0.847 374 G HN 0.437 nan 8.290 nan 0.000 0.501 375 K N 0.522 120.975 120.400 0.089 0.000 2.240 375 K HA 0.563 4.883 4.320 -0.000 0.000 0.271 375 K C -0.168 176.472 176.600 0.066 0.000 1.018 375 K CA -0.458 55.874 56.287 0.074 0.000 0.874 375 K CB 0.926 33.450 32.500 0.040 0.000 1.098 375 K HN 0.498 nan 8.250 nan 0.000 0.458 376 T N 0.993 115.599 114.554 0.087 0.000 2.887 376 T HA 0.345 4.695 4.350 -0.000 0.000 0.288 376 T C -0.459 174.285 174.700 0.073 0.000 1.021 376 T CA -1.137 61.008 62.100 0.075 0.000 1.000 376 T CB 1.196 70.114 68.868 0.084 0.000 1.034 376 T HN 0.517 nan 8.240 nan 0.000 0.467 377 K N 2.674 123.110 120.400 0.060 0.000 2.307 377 K HA 0.176 4.496 4.320 -0.000 0.000 0.285 377 K C 0.291 176.941 176.600 0.084 0.000 1.073 377 K CA -0.072 56.252 56.287 0.061 0.000 0.996 377 K CB -0.052 32.481 32.500 0.055 0.000 0.994 377 K HN 0.652 nan 8.250 nan 0.000 0.452 378 T N 1.704 116.309 114.554 0.086 0.000 2.923 378 T HA -0.100 4.250 4.350 -0.000 0.000 0.320 378 T C 0.552 175.313 174.700 0.102 0.000 1.074 378 T CA -0.285 61.866 62.100 0.085 0.000 1.131 378 T CB 0.432 69.343 68.868 0.071 0.000 1.058 378 T HN 0.201 nan 8.240 nan 0.000 0.535 379 V N 4.713 124.676 119.914 0.082 0.000 2.644 379 V HA -0.032 4.088 4.120 -0.000 0.000 0.305 379 V C 0.690 176.830 176.094 0.077 0.000 1.053 379 V CA -0.035 62.335 62.300 0.116 0.000 1.186 379 V CB -0.830 30.967 31.823 -0.044 0.000 0.895 379 V HN 0.705 nan 8.190 nan 0.000 0.490 380 F N 7.858 127.812 119.950 0.006 0.000 2.514 380 F HA 0.171 4.698 4.527 -0.000 0.000 0.399 380 F C -0.580 175.222 175.800 0.004 0.000 1.011 380 F CA -2.933 55.071 58.000 0.006 0.000 1.109 380 F CB -1.351 37.653 39.000 0.005 0.000 0.980 380 F HN 0.409 nan 8.300 nan 0.000 0.538 381 P HA -0.288 nan 4.420 nan 0.000 0.232 381 P C 0.962 178.114 177.300 -0.247 0.000 1.135 381 P CA 2.323 65.344 63.100 -0.131 0.000 0.969 381 P CB -0.352 31.324 31.700 -0.040 0.000 0.777 382 G N 0.293 108.921 108.800 -0.286 0.000 2.916 382 G HA2 0.112 4.072 3.960 -0.000 0.000 0.280 382 G HA3 0.112 4.072 3.960 -0.000 0.000 0.280 382 G C 0.097 174.672 174.900 -0.542 0.000 0.758 382 G CA -0.281 44.648 45.100 -0.285 0.000 1.993 382 G HN 0.229 nan 8.290 nan 0.000 0.564 383 N N 0.000 118.427 118.700 -0.455 0.000 1.763 383 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 383 N CA 0.000 52.805 53.050 -0.408 0.000 0.885 383 N CB 0.000 38.341 38.487 -0.244 0.000 1.341 383 N HN 0.000 nan 8.380 nan 0.000 0.667