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 3knz_1_B DATA FIRST_RESID -5 DATA SEQUENCE NLYFQGXNET PLRLLEXLTQ TREDLWRAAQ ALTERGVTRI ILTGSGTSYH DATA SEQUENCE GALTARTFXQ RWCALPVDVC WPFXLDDETL ARSGKALVVG ISQGGGSLST DATA SEQUENCE LAAXERARNV GHITASXAGV APATIDRAAD YILTVPCGEX XXXXXTKGYH DATA SEQUENCE CTVLNLXLLA LAVAGQQQRL DGEQRRSLLL RXEKTFNHLP ALVTASQAWA DATA SEQUENCE QTNALALRDS ADIRLTGPAT LFGTVQEGAL KXLETLRCPV SGYEFEEFIH DATA SEQUENCE GIYNAFNAQS ALIXLDPQPD ARQDRLAQIL GEWTPSIYRI GPQVENNGLN DATA SEQUENCE LNFPFVNDED FAVFEYIIPL QXLCAIL 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 -5 N HA 0.000 nan 4.740 nan 0.000 0.220 -5 N C 0.000 175.510 175.510 -0.000 0.000 1.280 -5 N CA 0.000 53.041 53.050 -0.015 0.000 0.885 -5 N CB 0.000 38.290 38.487 -0.328 0.000 1.341 -4 L N 2.430 123.642 121.223 -0.019 0.000 2.201 -4 L HA 0.091 4.431 4.340 -0.000 0.000 0.212 -4 L C 1.905 178.774 176.870 -0.003 0.000 1.105 -4 L CA 1.710 56.552 54.840 0.003 0.000 0.775 -4 L CB -1.733 40.326 42.059 -0.000 0.000 0.913 -4 L HN 0.783 nan 8.230 nan 0.000 0.440 -3 Y N -1.156 119.041 120.300 -0.173 0.000 2.373 -3 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 -3 Y C 2.249 178.106 175.900 -0.072 0.000 1.129 -3 Y CA 1.367 59.372 58.100 -0.158 0.000 1.226 -3 Y CB -0.001 38.314 38.460 -0.242 0.000 1.000 -3 Y HN 0.382 nan 8.280 nan 0.000 0.549 -2 F N -0.562 119.486 119.950 0.162 0.000 2.163 -2 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 -2 F C 2.773 178.591 175.800 0.029 0.000 1.094 -2 F CA 1.493 59.550 58.000 0.095 0.000 1.290 -2 F CB -1.448 37.592 39.000 0.067 0.000 1.017 -2 F HN 0.131 nan 8.300 nan 0.000 0.483 -1 Q N 1.143 121.061 119.800 0.196 0.000 2.181 -1 Q HA 0.061 4.401 4.340 -0.000 0.000 0.205 -1 Q C 1.814 177.829 176.000 0.025 0.000 0.980 -1 Q CA 1.378 57.233 55.803 0.086 0.000 0.862 -1 Q CB -1.765 27.003 28.738 0.050 0.000 0.905 -1 Q HN 0.421 nan 8.270 nan 0.000 0.429 3 E N 0.634 120.808 120.200 -0.044 0.000 2.385 3 E HA 0.128 4.478 4.350 -0.000 0.000 0.194 3 E C 0.924 177.459 176.600 -0.108 0.000 1.013 3 E CA 0.787 57.148 56.400 -0.066 0.000 0.866 3 E CB 0.222 29.889 29.700 -0.056 0.000 0.832 3 E HN 0.165 nan 8.360 nan 0.000 0.500 4 T N 1.722 116.196 114.554 -0.135 0.000 2.635 4 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 4 T C -0.979 173.561 174.700 -0.267 0.000 1.040 4 T CA 1.404 63.374 62.100 -0.215 0.000 1.156 4 T CB -1.051 67.635 68.868 -0.304 0.000 0.863 4 T HN 0.124 nan 8.240 nan 0.000 0.430 5 P HA -0.056 nan 4.420 nan 0.000 0.215 5 P C 1.602 178.768 177.300 -0.222 0.000 1.157 5 P CA 0.674 63.648 63.100 -0.211 0.000 0.874 5 P CB -0.157 31.495 31.700 -0.081 0.000 0.790 6 L N -0.814 120.319 121.223 -0.150 0.000 2.093 6 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 6 L C 2.226 179.001 176.870 -0.158 0.000 1.085 6 L CA 1.815 56.581 54.840 -0.123 0.000 0.755 6 L CB -0.828 41.183 42.059 -0.080 0.000 0.904 6 L HN -0.208 nan 8.230 nan 0.000 0.435 7 R N -0.410 119.983 120.500 -0.179 0.000 2.096 7 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 7 R C 2.241 178.386 176.300 -0.258 0.000 1.127 7 R CA 1.434 57.429 56.100 -0.176 0.000 0.968 7 R CB -0.980 29.229 30.300 -0.153 0.000 0.861 7 R HN 0.414 nan 8.270 nan 0.000 0.440 8 L N 0.408 121.373 121.223 -0.430 0.000 2.056 8 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 8 L C 2.483 179.009 176.870 -0.573 0.000 1.078 8 L CA 0.961 55.356 54.840 -0.742 0.000 0.749 8 L CB -0.479 40.677 42.059 -1.505 0.000 0.901 8 L HN 0.097 nan 8.230 nan 0.000 0.433 9 L N -0.486 120.524 121.223 -0.355 0.000 2.046 9 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 9 L C 1.402 178.234 176.870 -0.065 0.000 1.077 9 L CA 0.830 55.624 54.840 -0.076 0.000 0.747 9 L CB -0.370 41.675 42.059 -0.023 0.000 0.896 9 L HN 0.270 nan 8.230 nan 0.000 0.432 13 T N -2.498 112.058 114.554 0.003 0.000 3.269 13 T HA 0.385 4.735 4.350 -0.000 0.000 0.269 13 T C 0.175 174.880 174.700 0.008 0.000 0.993 13 T CA -0.238 61.866 62.100 0.005 0.000 0.909 13 T CB 0.289 69.156 68.868 -0.002 0.000 1.115 13 T HN 0.084 nan 8.240 nan 0.000 0.543 14 Q N 2.112 121.923 119.800 0.017 0.000 2.312 14 Q HA 0.474 4.814 4.340 -0.000 0.000 0.263 14 Q C -0.280 175.751 176.000 0.050 0.000 0.995 14 Q CA -0.793 55.024 55.803 0.024 0.000 0.853 14 Q CB 1.936 30.686 28.738 0.019 0.000 1.300 14 Q HN 0.529 nan 8.270 nan 0.000 0.448 15 T N 0.170 114.753 114.554 0.048 0.000 2.794 15 T HA 0.325 4.675 4.350 -0.000 0.000 0.296 15 T C 0.097 174.863 174.700 0.110 0.000 0.949 15 T CA -0.826 61.317 62.100 0.071 0.000 1.101 15 T CB 0.574 69.456 68.868 0.024 0.000 0.905 15 T HN 0.318 nan 8.240 nan 0.000 0.516 16 R N 3.397 124.020 120.500 0.205 0.000 2.666 16 R HA 0.233 4.573 4.340 -0.000 0.000 0.275 16 R C 0.487 176.980 176.300 0.322 0.000 1.266 16 R CA -0.334 55.892 56.100 0.210 0.000 1.401 16 R CB 0.527 30.922 30.300 0.158 0.000 1.145 16 R HN 0.803 nan 8.270 nan 0.000 0.581 17 E N 0.922 121.245 120.200 0.205 0.000 2.110 17 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 17 E C 1.361 178.078 176.600 0.195 0.000 0.988 17 E CA 1.751 58.267 56.400 0.192 0.000 0.804 17 E CB 0.136 29.897 29.700 0.101 0.000 0.745 17 E HN 0.519 nan 8.360 nan 0.000 0.458 18 D N 1.049 121.536 120.400 0.144 0.000 2.117 18 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 18 D C 1.920 178.265 176.300 0.074 0.000 0.987 18 D CA 1.034 55.104 54.000 0.116 0.000 0.829 18 D CB -0.555 40.302 40.800 0.095 0.000 0.961 18 D HN 0.263 nan 8.370 nan 0.000 0.460 19 L N -1.278 119.971 121.223 0.042 0.000 2.093 19 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 19 L C 2.687 179.464 176.870 -0.155 0.000 1.085 19 L CA 0.988 55.772 54.840 -0.093 0.000 0.755 19 L CB -0.584 41.370 42.059 -0.175 0.000 0.904 19 L HN 0.054 nan 8.230 nan 0.000 0.435 20 W N 0.427 121.708 121.300 -0.032 0.000 2.388 20 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 20 W C 2.790 179.267 176.519 -0.069 0.000 1.212 20 W CA 0.672 57.993 57.345 -0.040 0.000 1.271 20 W CB -0.240 29.208 29.460 -0.020 0.000 1.126 20 W HN -0.033 nan 8.180 nan 0.000 0.535 21 R N -0.039 120.537 120.500 0.127 0.000 2.096 21 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 21 R C 2.303 178.436 176.300 -0.278 0.000 1.127 21 R CA 1.438 57.545 56.100 0.013 0.000 0.968 21 R CB -0.834 29.526 30.300 0.099 0.000 0.861 21 R HN 0.183 nan 8.270 nan 0.000 0.440 22 A N 1.272 123.870 122.820 -0.371 0.000 1.855 22 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 22 A C 2.387 179.758 177.584 -0.355 0.000 1.191 22 A CA 1.525 53.195 52.037 -0.611 0.000 0.613 22 A CB -0.667 18.122 19.000 -0.351 0.000 0.829 22 A HN 0.369 nan 8.150 nan 0.000 0.442 23 A N -0.722 121.964 122.820 -0.222 0.000 1.940 23 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 23 A C 2.208 179.742 177.584 -0.084 0.000 1.176 23 A CA 1.943 53.885 52.037 -0.159 0.000 0.631 23 A CB -0.597 18.272 19.000 -0.219 0.000 0.814 23 A HN 0.699 nan 8.150 nan 0.000 0.446 24 Q N -0.633 119.138 119.800 -0.049 0.000 2.046 24 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 24 Q C 2.205 178.188 176.000 -0.029 0.000 0.975 24 Q CA 1.545 57.349 55.803 0.002 0.000 0.836 24 Q CB -0.341 28.424 28.738 0.045 0.000 0.896 24 Q HN 0.591 nan 8.270 nan 0.000 0.428 25 A N 1.299 124.057 122.820 -0.103 0.000 1.902 25 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 25 A C 2.070 179.639 177.584 -0.026 0.000 1.181 25 A CA 1.221 53.229 52.037 -0.048 0.000 0.623 25 A CB -0.886 18.056 19.000 -0.096 0.000 0.818 25 A HN 0.578 nan 8.150 nan 0.000 0.443 26 L N -0.353 120.825 121.223 -0.075 0.000 1.990 26 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 26 L C 2.535 179.401 176.870 -0.007 0.000 1.072 26 L CA 2.506 57.327 54.840 -0.033 0.000 0.755 26 L CB -0.642 41.382 42.059 -0.058 0.000 0.889 26 L HN 0.424 nan 8.230 nan 0.000 0.432 27 T N -0.544 114.005 114.554 -0.009 0.000 2.737 27 T HA -0.184 4.166 4.350 -0.000 0.000 0.265 27 T C 1.657 176.367 174.700 0.016 0.000 1.038 27 T CA 1.777 63.881 62.100 0.007 0.000 1.144 27 T CB -0.256 68.621 68.868 0.015 0.000 0.866 27 T HN 0.477 nan 8.240 nan 0.000 0.434 28 E N 0.775 120.987 120.200 0.020 0.000 2.152 28 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 28 E C 1.881 178.498 176.600 0.029 0.000 0.983 28 E CA 0.538 56.954 56.400 0.027 0.000 0.818 28 E CB 0.010 29.730 29.700 0.033 0.000 0.758 28 E HN 0.335 nan 8.360 nan 0.000 0.467 29 R N 0.190 120.711 120.500 0.034 0.000 2.480 29 R HA 0.130 4.470 4.340 -0.000 0.000 0.277 29 R C 0.396 176.715 176.300 0.030 0.000 1.008 29 R CA 0.314 56.437 56.100 0.038 0.000 1.090 29 R CB 0.502 30.837 30.300 0.059 0.000 1.234 29 R HN 0.126 nan 8.270 nan 0.000 0.549 30 G N 1.375 110.189 108.800 0.024 0.000 2.338 30 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.296 30 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.296 30 G C 0.128 175.044 174.900 0.026 0.000 1.040 30 G CA -0.031 45.081 45.100 0.020 0.000 1.004 30 G HN 0.172 nan 8.290 nan 0.000 0.509 31 V N 0.461 120.393 119.914 0.030 0.000 2.614 31 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 31 V C 1.707 177.818 176.094 0.030 0.000 1.049 31 V CA 0.967 63.291 62.300 0.040 0.000 1.038 31 V CB 1.373 33.219 31.823 0.038 0.000 0.980 31 V HN 0.848 nan 8.190 nan 0.000 0.481 32 T N 1.954 116.530 114.554 0.037 0.000 3.001 32 T HA 0.249 4.599 4.350 -0.000 0.000 0.251 32 T C 0.444 175.154 174.700 0.016 0.000 1.040 32 T CA -0.222 61.892 62.100 0.023 0.000 0.985 32 T CB 0.142 69.026 68.868 0.026 0.000 1.011 32 T HN 0.753 nan 8.240 nan 0.000 0.509 33 R N -0.217 120.296 120.500 0.021 0.000 2.664 33 R HA 0.646 4.986 4.340 -0.000 0.000 0.266 33 R C -2.263 174.040 176.300 0.005 0.000 1.046 33 R CA -1.004 55.100 56.100 0.006 0.000 0.885 33 R CB 0.619 30.920 30.300 0.000 0.000 1.254 33 R HN 0.031 nan 8.270 nan 0.000 0.465 34 I N 2.531 123.097 120.570 -0.006 0.000 2.377 34 I HA 0.412 4.582 4.170 -0.000 0.000 0.293 34 I C -0.203 175.902 176.117 -0.021 0.000 0.987 34 I CA -0.697 60.599 61.300 -0.007 0.000 1.185 34 I CB 1.711 39.709 38.000 -0.004 0.000 1.341 34 I HN 0.478 nan 8.210 nan 0.000 0.455 35 I N 6.996 127.550 120.570 -0.027 0.000 2.382 35 I HA 0.372 4.542 4.170 -0.000 0.000 0.286 35 I C -0.843 175.258 176.117 -0.027 0.000 1.002 35 I CA -0.558 60.716 61.300 -0.042 0.000 1.135 35 I CB 1.009 38.963 38.000 -0.076 0.000 1.288 35 I HN 0.240 nan 8.210 nan 0.000 0.448 36 L N 5.724 126.934 121.223 -0.023 0.000 2.282 36 L HA 0.570 4.910 4.340 -0.000 0.000 0.288 36 L C 0.071 176.940 176.870 -0.001 0.000 1.033 36 L CA -0.209 54.627 54.840 -0.006 0.000 0.807 36 L CB 1.635 43.691 42.059 -0.005 0.000 1.209 36 L HN 0.521 nan 8.230 nan 0.000 0.423 37 T N 1.805 116.369 114.554 0.016 0.000 2.893 37 T HA 0.872 5.222 4.350 -0.000 0.000 0.293 37 T C -0.291 174.449 174.700 0.067 0.000 1.027 37 T CA -0.033 62.084 62.100 0.028 0.000 0.988 37 T CB 1.872 70.743 68.868 0.004 0.000 1.043 37 T HN 0.915 nan 8.240 nan 0.000 0.461 38 G N 1.749 110.613 108.800 0.107 0.000 2.323 38 G HA2 0.511 4.471 3.960 -0.000 0.000 0.291 38 G HA3 0.511 4.471 3.960 -0.000 0.000 0.291 38 G C -1.549 173.472 174.900 0.201 0.000 1.278 38 G CA -0.514 44.665 45.100 0.132 0.000 0.860 38 G HN 0.848 nan 8.290 nan 0.000 0.504 39 S N -1.278 114.527 115.700 0.175 0.000 2.632 39 S HA 0.825 5.295 4.470 -0.000 0.000 0.289 39 S C 0.923 175.581 174.600 0.097 0.000 1.115 39 S CA 0.703 59.007 58.200 0.174 0.000 0.889 39 S CB 1.166 64.427 63.200 0.102 0.000 1.116 39 S HN 2.536 nan 8.310 nan 0.000 0.486 40 G N 1.859 110.677 108.800 0.031 0.000 2.672 40 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.324 40 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.324 40 G C 1.017 175.695 174.900 -0.370 0.000 1.286 40 G CA 1.167 46.191 45.100 -0.127 0.000 1.004 40 G HN 0.783 nan 8.290 nan 0.000 0.548 41 T N 0.848 115.370 114.554 -0.053 0.000 2.685 41 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 41 T C 2.774 177.544 174.700 0.118 0.000 1.034 41 T CA 2.562 64.733 62.100 0.118 0.000 1.149 41 T CB -0.537 68.439 68.868 0.180 0.000 0.860 41 T HN 0.552 nan 8.240 nan 0.000 0.449 42 S N 0.331 116.079 115.700 0.079 0.000 2.356 42 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 42 S C 1.730 176.381 174.600 0.085 0.000 1.032 42 S CA 1.285 59.537 58.200 0.086 0.000 1.005 42 S CB -0.548 62.703 63.200 0.085 0.000 0.867 42 S HN 0.656 nan 8.310 nan 0.000 0.449 43 Y N 2.193 122.450 120.300 -0.071 0.000 2.181 43 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 43 Y C 2.072 177.963 175.900 -0.014 0.000 1.146 43 Y CA 1.783 59.836 58.100 -0.077 0.000 1.164 43 Y CB -0.782 37.640 38.460 -0.062 0.000 0.982 43 Y HN 0.447 nan 8.280 nan 0.000 0.515 44 H N -1.327 117.731 119.070 -0.020 0.000 2.389 44 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 44 H C 2.421 177.769 175.328 0.033 0.000 1.081 44 H CA 0.572 56.565 56.048 -0.092 0.000 1.345 44 H CB -0.412 29.363 29.762 0.021 0.000 1.393 44 H HN 0.488 nan 8.280 nan 0.000 0.520 45 G N 0.764 109.674 108.800 0.183 0.000 2.421 45 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 45 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 45 G C 1.943 176.797 174.900 -0.076 0.000 1.171 45 G CA 0.809 45.886 45.100 -0.037 0.000 0.775 45 G HN 0.487 nan 8.290 nan 0.000 0.543 46 A N 0.603 123.387 122.820 -0.061 0.000 1.883 46 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 46 A C 2.465 179.990 177.584 -0.099 0.000 1.186 46 A CA 1.430 53.425 52.037 -0.070 0.000 0.624 46 A CB -0.490 18.476 19.000 -0.057 0.000 0.822 46 A HN 0.359 nan 8.150 nan 0.000 0.444 47 L N -0.886 120.233 121.223 -0.174 0.000 2.012 47 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 47 L C 2.794 179.634 176.870 -0.049 0.000 1.073 47 L CA 1.879 56.637 54.840 -0.137 0.000 0.748 47 L CB -0.816 41.127 42.059 -0.193 0.000 0.891 47 L HN 0.352 nan 8.230 nan 0.000 0.431 48 T N -0.538 113.988 114.554 -0.046 0.000 2.867 48 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 48 T C 1.663 176.318 174.700 -0.075 0.000 1.057 48 T CA 1.270 63.337 62.100 -0.055 0.000 1.136 48 T CB -0.080 68.743 68.868 -0.074 0.000 0.874 48 T HN 0.442 nan 8.240 nan 0.000 0.466 49 A N 0.672 123.455 122.820 -0.061 0.000 2.238 49 A HA 0.265 4.585 4.320 -0.000 0.000 0.210 49 A C 2.084 179.712 177.584 0.075 0.000 1.179 49 A CA 0.239 52.279 52.037 0.005 0.000 0.827 49 A CB -0.316 18.685 19.000 0.002 0.000 0.856 49 A HN 0.350 nan 8.150 nan 0.000 0.488 50 R N 0.023 120.539 120.500 0.026 0.000 2.122 50 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 50 R C 2.040 178.368 176.300 0.047 0.000 1.129 50 R CA 2.582 58.696 56.100 0.024 0.000 0.925 50 R CB -0.739 29.553 30.300 -0.012 0.000 0.850 50 R HN 0.419 nan 8.270 nan 0.000 0.431 51 T N 0.748 115.328 114.554 0.044 0.000 2.665 51 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 51 T C 0.861 175.605 174.700 0.074 0.000 1.035 51 T CA 1.332 63.451 62.100 0.032 0.000 1.151 51 T CB -0.402 68.478 68.868 0.020 0.000 0.862 51 T HN 0.177 nan 8.240 nan 0.000 0.438 55 R N 0.716 121.078 120.500 -0.230 0.000 2.088 55 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 55 R C 1.358 177.350 176.300 -0.513 0.000 1.136 55 R CA 2.292 58.127 56.100 -0.442 0.000 0.926 55 R CB -0.171 29.745 30.300 -0.639 0.000 0.837 55 R HN 0.267 nan 8.270 nan 0.000 0.429 56 W N -0.727 120.386 121.300 -0.311 0.000 2.519 56 W HA -0.025 4.635 4.660 -0.000 0.000 0.266 56 W C 2.224 178.644 176.519 -0.164 0.000 1.253 56 W CA -0.103 57.078 57.345 -0.272 0.000 1.274 56 W CB -0.028 29.188 29.460 -0.406 0.000 1.114 56 W HN 0.223 nan 8.180 nan 0.000 0.596 57 C N -0.446 118.879 119.300 0.041 0.000 2.563 57 C HA 0.445 4.905 4.460 -0.000 0.000 0.268 57 C C 1.782 176.761 174.990 -0.019 0.000 1.365 57 C CA 0.455 59.482 59.018 0.015 0.000 1.754 57 C CB -1.395 26.347 27.740 0.004 0.000 1.932 57 C HN 0.400 nan 8.230 nan 0.000 0.536 58 A N 0.138 122.922 122.820 -0.061 0.000 2.791 58 A HA -0.164 4.156 4.320 -0.000 0.000 0.292 58 A C -0.107 177.448 177.584 -0.050 0.000 1.487 58 A CA 0.873 52.866 52.037 -0.074 0.000 0.760 58 A CB -2.027 16.938 19.000 -0.059 0.000 1.031 58 A HN 0.645 nan 8.150 nan 0.000 0.503 59 L N -2.023 119.172 121.223 -0.046 0.000 2.540 59 L HA 0.551 4.891 4.340 -0.000 0.000 0.256 59 L C -2.603 174.246 176.870 -0.035 0.000 1.001 59 L CA -2.444 52.376 54.840 -0.032 0.000 0.843 59 L CB 2.247 44.295 42.059 -0.019 0.000 1.436 59 L HN 0.020 nan 8.230 nan 0.000 0.410 60 P HA 0.164 nan 4.420 nan 0.000 0.271 60 P C -1.177 176.107 177.300 -0.027 0.000 1.218 60 P CA -0.182 62.900 63.100 -0.031 0.000 0.780 60 P CB 0.817 32.500 31.700 -0.027 0.000 0.901 61 V N 3.601 123.497 119.914 -0.030 0.000 2.409 61 V HA 0.240 4.360 4.120 -0.000 0.000 0.290 61 V C -0.313 175.760 176.094 -0.035 0.000 1.017 61 V CA -0.576 61.708 62.300 -0.025 0.000 0.841 61 V CB 1.570 33.385 31.823 -0.015 0.000 1.003 61 V HN 0.455 nan 8.190 nan 0.000 0.426 62 D N 3.077 123.453 120.400 -0.040 0.000 2.225 62 D HA 0.621 5.261 4.640 -0.000 0.000 0.249 62 D C -0.528 175.739 176.300 -0.056 0.000 1.052 62 D CA -0.120 53.848 54.000 -0.053 0.000 0.909 62 D CB 2.616 43.380 40.800 -0.060 0.000 1.186 62 D HN 0.274 nan 8.370 nan 0.000 0.431 63 V N 1.480 121.352 119.914 -0.070 0.000 2.569 63 V HA 0.466 4.586 4.120 -0.000 0.000 0.301 63 V C 0.056 176.091 176.094 -0.097 0.000 1.044 63 V CA -0.657 61.604 62.300 -0.065 0.000 0.874 63 V CB 1.359 33.134 31.823 -0.081 0.000 1.002 63 V HN 0.944 nan 8.190 nan 0.000 0.424 64 C N 2.069 121.293 119.300 -0.126 0.000 3.320 64 C HA 0.751 5.211 4.460 -0.000 0.000 0.335 64 C C -1.206 173.581 174.990 -0.339 0.000 1.430 64 C CA -1.017 57.802 59.018 -0.332 0.000 1.271 64 C CB 1.590 29.172 27.740 -0.264 0.000 1.609 64 C HN 0.761 nan 8.230 nan 0.000 0.457 65 W N 1.010 122.117 121.300 -0.322 0.000 2.251 65 W HA 0.367 5.027 4.660 -0.000 0.000 0.329 65 W C -1.796 174.506 176.519 -0.361 0.000 1.234 65 W CA -1.930 55.187 57.345 -0.380 0.000 1.228 65 W CB -0.192 28.960 29.460 -0.515 0.000 1.135 65 W HN 0.568 nan 8.180 nan 0.000 0.576 66 P HA -0.211 nan 4.420 nan 0.000 0.216 66 P C 0.594 177.915 177.300 0.035 0.000 1.150 66 P CA 1.452 64.580 63.100 0.047 0.000 0.843 66 P CB -0.129 31.638 31.700 0.112 0.000 0.787 70 D N -2.374 118.046 120.400 0.033 0.000 2.423 70 D HA 0.183 4.823 4.640 -0.000 0.000 0.255 70 D C 0.744 177.070 176.300 0.043 0.000 1.174 70 D CA -0.512 53.519 54.000 0.052 0.000 1.008 70 D CB 1.084 41.924 40.800 0.067 0.000 1.101 70 D HN 0.023 nan 8.370 nan 0.000 0.516 71 D N -0.295 120.134 120.400 0.048 0.000 2.133 71 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 71 D C 1.605 177.936 176.300 0.051 0.000 0.997 71 D CA 1.318 55.349 54.000 0.050 0.000 0.840 71 D CB -0.079 40.748 40.800 0.045 0.000 0.947 71 D HN 0.596 nan 8.370 nan 0.000 0.452 72 E N -0.146 120.080 120.200 0.044 0.000 2.077 72 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 72 E C 2.093 178.717 176.600 0.040 0.000 0.989 72 E CA 1.234 57.658 56.400 0.041 0.000 0.800 72 E CB -0.013 29.709 29.700 0.036 0.000 0.746 72 E HN 0.189 nan 8.360 nan 0.000 0.452 73 T N 1.488 116.062 114.554 0.033 0.000 2.746 73 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 73 T C 1.924 176.638 174.700 0.024 0.000 1.039 73 T CA 0.836 62.947 62.100 0.019 0.000 1.142 73 T CB -0.159 68.710 68.868 0.000 0.000 0.866 73 T HN 0.082 nan 8.240 nan 0.000 0.444 74 L N 0.508 121.751 121.223 0.035 0.000 2.201 74 L HA 0.000 4.340 4.340 -0.000 0.000 0.212 74 L C 2.892 179.901 176.870 0.231 0.000 1.105 74 L CA 0.933 55.818 54.840 0.076 0.000 0.775 74 L CB -0.503 41.600 42.059 0.074 0.000 0.913 74 L HN 0.242 nan 8.230 nan 0.000 0.440 75 A N -0.420 122.479 122.820 0.131 0.000 1.930 75 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 75 A C 2.363 179.996 177.584 0.082 0.000 1.176 75 A CA 0.668 52.766 52.037 0.102 0.000 0.632 75 A CB -0.203 18.834 19.000 0.061 0.000 0.819 75 A HN 0.206 nan 8.150 nan 0.000 0.445 76 R N 0.324 120.865 120.500 0.069 0.000 2.115 76 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 76 R C 1.167 177.504 176.300 0.061 0.000 1.100 76 R CA 0.759 56.889 56.100 0.050 0.000 0.980 76 R CB -0.766 29.555 30.300 0.035 0.000 0.875 76 R HN 0.463 nan 8.270 nan 0.000 0.445 77 S N 0.237 115.989 115.700 0.086 0.000 2.572 77 S HA 0.251 4.721 4.470 -0.000 0.000 0.279 77 S C 0.457 175.146 174.600 0.149 0.000 1.341 77 S CA -0.339 57.919 58.200 0.097 0.000 1.043 77 S CB 0.971 64.212 63.200 0.069 0.000 0.887 77 S HN 0.344 nan 8.310 nan 0.000 0.516 78 G N 2.392 111.257 108.800 0.108 0.000 2.606 78 G HA2 0.230 4.190 3.960 -0.000 0.000 0.252 78 G HA3 0.230 4.190 3.960 -0.000 0.000 0.252 78 G C -0.417 174.591 174.900 0.180 0.000 1.206 78 G CA -0.646 44.512 45.100 0.098 0.000 0.861 78 G HN 0.893 nan 8.290 nan 0.000 0.561 79 K N -0.099 120.363 120.400 0.104 0.000 2.511 79 K HA 0.353 4.673 4.320 -0.000 0.000 0.280 79 K C 0.218 176.946 176.600 0.212 0.000 1.008 79 K CA 0.437 56.798 56.287 0.123 0.000 1.050 79 K CB 0.074 32.587 32.500 0.022 0.000 0.889 79 K HN 0.601 nan 8.250 nan 0.000 0.484 80 A N 3.895 126.948 122.820 0.389 0.000 2.527 80 A HA 0.528 4.848 4.320 -0.000 0.000 0.293 80 A C -1.745 175.927 177.584 0.147 0.000 1.117 80 A CA -0.892 51.251 52.037 0.177 0.000 0.723 80 A CB 1.245 20.268 19.000 0.038 0.000 1.313 80 A HN 0.631 nan 8.150 nan 0.000 0.411 81 L N 1.708 122.974 121.223 0.073 0.000 2.264 81 L HA 0.584 4.924 4.340 -0.000 0.000 0.287 81 L C -0.953 175.938 176.870 0.036 0.000 1.039 81 L CA -0.151 54.731 54.840 0.069 0.000 0.829 81 L CB 0.769 42.855 42.059 0.044 0.000 1.211 81 L HN 0.355 nan 8.230 nan 0.000 0.427 82 V N 6.188 126.125 119.914 0.038 0.000 2.406 82 V HA 0.358 4.478 4.120 -0.000 0.000 0.272 82 V C -0.094 176.019 176.094 0.032 0.000 1.043 82 V CA -0.467 61.835 62.300 0.004 0.000 0.915 82 V CB 1.437 33.245 31.823 -0.026 0.000 0.988 82 V HN 0.504 nan 8.190 nan 0.000 0.466 83 V N 4.563 124.491 119.914 0.023 0.000 2.350 83 V HA 0.581 4.701 4.120 -0.000 0.000 0.285 83 V C 0.734 176.847 176.094 0.032 0.000 1.014 83 V CA -0.488 61.833 62.300 0.035 0.000 0.831 83 V CB 1.537 33.378 31.823 0.031 0.000 1.000 83 V HN 0.917 nan 8.190 nan 0.000 0.433 84 G N 5.461 114.284 108.800 0.039 0.000 2.339 84 G HA2 0.665 4.625 3.960 -0.000 0.000 0.287 84 G HA3 0.665 4.625 3.960 -0.000 0.000 0.287 84 G C -0.580 174.347 174.900 0.044 0.000 1.163 84 G CA -0.317 44.807 45.100 0.041 0.000 0.872 84 G HN 0.623 nan 8.290 nan 0.000 0.464 85 I N 1.168 121.768 120.570 0.049 0.000 2.493 85 I HA 0.599 4.769 4.170 -0.000 0.000 0.298 85 I C 0.131 176.281 176.117 0.056 0.000 0.998 85 I CA -0.654 60.676 61.300 0.050 0.000 1.137 85 I CB 2.283 40.312 38.000 0.049 0.000 1.310 85 I HN 0.478 nan 8.210 nan 0.000 0.445 86 S N 2.756 118.487 115.700 0.051 0.000 2.535 86 S HA 0.247 4.717 4.470 -0.000 0.000 0.272 86 S C 0.029 174.659 174.600 0.050 0.000 1.149 86 S CA -0.585 57.646 58.200 0.052 0.000 0.888 86 S CB 1.790 65.017 63.200 0.046 0.000 1.110 86 S HN 0.574 nan 8.310 nan 0.000 0.463 87 Q N 1.899 121.733 119.800 0.055 0.000 2.378 87 Q HA 0.183 4.523 4.340 -0.000 0.000 0.205 87 Q C 1.173 177.198 176.000 0.042 0.000 0.954 87 Q CA 1.161 56.996 55.803 0.055 0.000 0.901 87 Q CB -0.156 28.623 28.738 0.067 0.000 0.981 87 Q HN 0.748 nan 8.270 nan 0.000 0.483 88 G N -0.857 107.966 108.800 0.038 0.000 3.194 88 G HA2 0.392 4.352 3.960 -0.000 0.000 0.160 88 G HA3 0.392 4.352 3.960 -0.000 0.000 0.160 88 G C 0.568 175.485 174.900 0.028 0.000 1.267 88 G CA 0.056 45.174 45.100 0.030 0.000 0.962 88 G HN 0.211 nan 8.290 nan 0.000 0.612 89 G N -1.183 107.633 108.800 0.025 0.000 3.042 89 G HA2 0.518 4.478 3.960 -0.000 0.000 0.212 89 G HA3 0.518 4.478 3.960 -0.000 0.000 0.212 89 G C 0.733 175.649 174.900 0.027 0.000 1.166 89 G CA 0.874 45.988 45.100 0.024 0.000 0.767 89 G HN 1.881 nan 8.290 nan 0.000 0.546 90 G N -0.515 108.303 108.800 0.031 0.000 2.674 90 G HA2 0.329 4.289 3.960 -0.000 0.000 0.686 90 G HA3 0.329 4.289 3.960 -0.000 0.000 0.686 90 G C -0.170 174.750 174.900 0.033 0.000 1.195 90 G CA -0.251 44.869 45.100 0.034 0.000 0.776 90 G HN 1.174 nan 8.290 nan 0.000 0.654 91 S N 0.421 116.143 115.700 0.038 0.000 2.687 91 S HA 0.729 5.199 4.470 -0.000 0.000 0.283 91 S C 1.661 176.282 174.600 0.036 0.000 1.170 91 S CA -0.350 57.871 58.200 0.036 0.000 1.008 91 S CB 1.828 65.054 63.200 0.043 0.000 1.026 91 S HN 0.935 nan 8.310 nan 0.000 0.541 92 L N 1.029 122.270 121.223 0.031 0.000 2.046 92 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 92 L C 2.850 179.744 176.870 0.041 0.000 1.077 92 L CA 1.337 56.195 54.840 0.030 0.000 0.747 92 L CB -0.835 41.236 42.059 0.022 0.000 0.896 92 L HN 0.757 nan 8.230 nan 0.000 0.432 93 S N -0.729 115.002 115.700 0.051 0.000 2.359 93 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 93 S C 2.016 176.660 174.600 0.074 0.000 1.035 93 S CA 1.962 60.207 58.200 0.075 0.000 1.018 93 S CB -0.367 62.895 63.200 0.104 0.000 0.876 93 S HN 0.445 nan 8.310 nan 0.000 0.448 94 T N 2.667 117.262 114.554 0.067 0.000 2.746 94 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 94 T C 1.779 176.508 174.700 0.047 0.000 1.039 94 T CA 1.121 63.257 62.100 0.059 0.000 1.142 94 T CB -0.473 68.430 68.868 0.058 0.000 0.866 94 T HN 0.181 nan 8.240 nan 0.000 0.444 95 L N 1.725 122.974 121.223 0.042 0.000 1.970 95 L HA -0.026 4.314 4.340 -0.000 0.000 0.212 95 L C 2.673 179.565 176.870 0.036 0.000 1.071 95 L CA 2.196 57.058 54.840 0.035 0.000 0.751 95 L CB -1.211 40.866 42.059 0.030 0.000 0.889 95 L HN 0.231 nan 8.230 nan 0.000 0.432 96 A N -0.030 122.814 122.820 0.039 0.000 1.917 96 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 96 A C 1.692 179.302 177.584 0.043 0.000 1.182 96 A CA 1.429 53.491 52.037 0.041 0.000 0.633 96 A CB -1.466 17.561 19.000 0.045 0.000 0.819 96 A HN 0.656 nan 8.150 nan 0.000 0.448 100 R N 1.245 121.774 120.500 0.048 0.000 2.096 100 R HA 0.021 4.361 4.340 -0.000 0.000 0.235 100 R C 2.262 178.612 176.300 0.084 0.000 1.127 100 R CA 1.453 57.587 56.100 0.056 0.000 0.968 100 R CB -0.138 30.192 30.300 0.051 0.000 0.861 100 R HN 0.109 nan 8.270 nan 0.000 0.440 101 A N 1.008 123.882 122.820 0.089 0.000 1.898 101 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 101 A C 2.134 179.829 177.584 0.185 0.000 1.181 101 A CA 1.068 53.202 52.037 0.162 0.000 0.620 101 A CB -0.406 18.635 19.000 0.068 0.000 0.819 101 A HN 0.180 nan 8.150 nan 0.000 0.442 102 R N -0.273 120.290 120.500 0.106 0.000 2.096 102 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 102 R C 1.710 178.042 176.300 0.052 0.000 1.127 102 R CA 1.497 57.641 56.100 0.074 0.000 0.968 102 R CB -0.236 30.091 30.300 0.045 0.000 0.861 102 R HN 0.531 nan 8.270 nan 0.000 0.440 103 N N -0.087 118.644 118.700 0.052 0.000 2.188 103 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 103 N C 1.580 177.107 175.510 0.028 0.000 1.018 103 N CA 1.074 54.145 53.050 0.035 0.000 0.858 103 N CB -0.009 38.499 38.487 0.036 0.000 0.989 103 N HN 0.073 nan 8.380 nan 0.000 0.426 104 V N -0.291 119.653 119.914 0.049 0.000 3.217 104 V HA 0.085 4.205 4.120 -0.000 0.000 0.264 104 V C 1.536 177.577 176.094 -0.088 0.000 1.135 104 V CA 1.213 63.520 62.300 0.010 0.000 1.142 104 V CB -0.188 31.683 31.823 0.079 0.000 0.754 104 V HN 0.529 nan 8.190 nan 0.000 0.484 105 G N -1.314 107.447 108.800 -0.065 0.000 2.192 105 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.193 105 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.193 105 G C 0.088 174.915 174.900 -0.122 0.000 0.999 105 G CA -0.277 44.762 45.100 -0.101 0.000 0.659 105 G HN 0.519 nan 8.290 nan 0.000 0.503 106 H N -0.051 119.035 119.070 0.026 0.000 2.690 106 H HA 0.424 4.980 4.556 -0.000 0.000 0.365 106 H C 0.485 175.840 175.328 0.045 0.000 1.142 106 H CA 0.199 56.267 56.048 0.033 0.000 1.417 106 H CB 0.996 30.775 29.762 0.029 0.000 1.446 106 H HN 0.126 nan 8.280 nan 0.000 0.599 107 I N 1.836 122.519 120.570 0.188 0.000 2.441 107 I HA 0.018 4.188 4.170 -0.000 0.000 0.287 107 I C 1.064 177.278 176.117 0.162 0.000 1.049 107 I CA 0.094 61.495 61.300 0.170 0.000 1.381 107 I CB 0.987 39.108 38.000 0.201 0.000 1.409 107 I HN 0.555 nan 8.210 nan 0.000 0.523 108 T N 2.870 117.509 114.554 0.142 0.000 2.940 108 T HA 0.962 5.312 4.350 -0.000 0.000 0.288 108 T C -0.550 174.239 174.700 0.149 0.000 1.033 108 T CA -0.830 61.338 62.100 0.114 0.000 1.033 108 T CB 1.937 70.847 68.868 0.070 0.000 1.079 108 T HN 0.789 nan 8.240 nan 0.000 0.496 109 A N 1.300 124.193 122.820 0.121 0.000 2.572 109 A HA 0.852 5.172 4.320 -0.000 0.000 0.295 109 A C -0.031 177.603 177.584 0.084 0.000 1.072 109 A CA -0.663 51.456 52.037 0.136 0.000 0.691 109 A CB 1.470 20.559 19.000 0.149 0.000 1.291 109 A HN 1.504 nan 8.150 nan 0.000 0.404 113 G N -0.777 108.041 108.800 0.030 0.000 2.985 113 G HA2 0.488 4.448 3.960 -0.000 0.000 0.209 113 G HA3 0.488 4.448 3.960 -0.000 0.000 0.209 113 G C 0.495 175.406 174.900 0.019 0.000 1.165 113 G CA 1.158 46.273 45.100 0.026 0.000 0.776 113 G HN 2.084 nan 8.290 nan 0.000 0.541 114 V N -4.072 115.854 119.914 0.020 0.000 3.114 114 V HA 0.927 5.047 4.120 -0.000 0.000 0.308 114 V C -0.995 175.110 176.094 0.017 0.000 1.168 114 V CA -1.129 61.180 62.300 0.016 0.000 1.015 114 V CB 1.667 33.498 31.823 0.014 0.000 1.050 114 V HN 0.510 nan 8.190 nan 0.000 0.433 115 A N 2.887 125.716 122.820 0.015 0.000 2.398 115 A HA 0.964 5.284 4.320 -0.000 0.000 0.301 115 A C -2.289 175.302 177.584 0.013 0.000 1.041 115 A CA -1.178 50.868 52.037 0.016 0.000 0.711 115 A CB 1.012 20.022 19.000 0.017 0.000 1.240 115 A HN 1.012 nan 8.150 nan 0.000 0.420 116 P HA 0.671 nan 4.420 nan 0.000 0.277 116 P C -0.381 176.927 177.300 0.015 0.000 1.240 116 P CA -0.144 62.964 63.100 0.014 0.000 0.798 116 P CB 1.596 33.303 31.700 0.011 0.000 0.979 117 A N 0.859 123.690 122.820 0.017 0.000 2.330 117 A HA 0.519 4.839 4.320 -0.000 0.000 0.329 117 A C 1.251 178.846 177.584 0.018 0.000 1.135 117 A CA -0.424 51.624 52.037 0.019 0.000 0.817 117 A CB 0.717 19.731 19.000 0.023 0.000 1.269 117 A HN 0.537 nan 8.150 nan 0.000 0.469 118 T N 1.312 115.877 114.554 0.018 0.000 2.777 118 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 118 T C 1.718 176.429 174.700 0.019 0.000 1.040 118 T CA 1.998 64.108 62.100 0.017 0.000 1.141 118 T CB -0.688 68.191 68.868 0.017 0.000 0.868 118 T HN 0.690 nan 8.240 nan 0.000 0.444 119 I N 0.223 120.807 120.570 0.023 0.000 2.916 119 I HA -0.060 4.110 4.170 -0.000 0.000 0.267 119 I C 1.306 177.436 176.117 0.023 0.000 1.263 119 I CA 1.133 62.448 61.300 0.025 0.000 1.471 119 I CB -0.517 37.502 38.000 0.031 0.000 1.089 119 I HN -0.065 nan 8.210 nan 0.000 0.468 120 D N 2.050 122.462 120.400 0.020 0.000 2.219 120 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 120 D C 2.224 178.528 176.300 0.006 0.000 0.970 120 D CA 0.944 54.954 54.000 0.016 0.000 0.851 120 D CB -0.221 40.588 40.800 0.016 0.000 0.943 120 D HN 0.485 nan 8.370 nan 0.000 0.488 121 R N 0.403 120.907 120.500 0.007 0.000 2.152 121 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 121 R C 1.645 177.944 176.300 -0.000 0.000 1.117 121 R CA 1.205 57.306 56.100 0.002 0.000 0.981 121 R CB 0.009 30.313 30.300 0.006 0.000 0.870 121 R HN 0.059 nan 8.270 nan 0.000 0.451 122 A N 0.004 122.827 122.820 0.006 0.000 2.430 122 A HA 0.461 4.781 4.320 -0.000 0.000 0.243 122 A C 0.318 177.905 177.584 0.004 0.000 1.254 122 A CA -0.194 51.847 52.037 0.007 0.000 0.914 122 A CB 0.534 19.545 19.000 0.018 0.000 0.998 122 A HN 0.209 nan 8.150 nan 0.000 0.515 123 A N 0.020 122.837 122.820 -0.004 0.000 2.274 123 A HA 0.524 4.844 4.320 -0.000 0.000 0.309 123 A C 0.177 177.713 177.584 -0.080 0.000 1.226 123 A CA -0.419 51.613 52.037 -0.007 0.000 0.853 123 A CB 0.425 19.436 19.000 0.019 0.000 1.146 123 A HN 0.190 nan 8.150 nan 0.000 0.518 124 D N 0.377 120.693 120.400 -0.139 0.000 2.234 124 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 124 D C -0.726 175.100 176.300 -0.790 0.000 0.962 124 D CA 1.898 55.634 54.000 -0.440 0.000 0.855 124 D CB 0.063 40.584 40.800 -0.464 0.000 0.951 124 D HN 0.610 nan 8.370 nan 0.000 0.500 125 Y N -0.230 120.087 120.300 0.028 0.000 2.331 125 Y HA 0.342 4.892 4.550 -0.000 0.000 0.326 125 Y C -0.462 175.454 175.900 0.025 0.000 1.020 125 Y CA -1.024 57.092 58.100 0.028 0.000 1.136 125 Y CB 1.232 39.709 38.460 0.028 0.000 1.157 125 Y HN -0.332 nan 8.280 nan 0.000 0.444 126 I N 4.928 125.580 120.570 0.137 0.000 2.308 126 I HA 0.140 4.310 4.170 -0.000 0.000 0.293 126 I C 0.050 176.225 176.117 0.097 0.000 1.078 126 I CA 0.138 61.493 61.300 0.091 0.000 1.292 126 I CB 0.233 38.267 38.000 0.057 0.000 1.423 126 I HN 0.539 nan 8.210 nan 0.000 0.493 127 L N 6.128 127.402 121.223 0.083 0.000 3.084 127 L HA 0.257 4.597 4.340 -0.000 0.000 0.238 127 L C 0.302 177.198 176.870 0.045 0.000 1.327 127 L CA -0.395 54.482 54.840 0.062 0.000 1.094 127 L CB -0.741 41.349 42.059 0.052 0.000 1.477 127 L HN 0.525 nan 8.230 nan 0.000 0.514 128 T N 0.388 114.968 114.554 0.043 0.000 2.891 128 T HA 0.018 4.368 4.350 -0.000 0.000 0.296 128 T C 0.654 175.369 174.700 0.026 0.000 1.025 128 T CA -0.138 61.982 62.100 0.033 0.000 1.149 128 T CB 1.119 70.005 68.868 0.030 0.000 1.007 128 T HN -0.002 nan 8.240 nan 0.000 0.528 129 V N 7.577 127.505 119.914 0.023 0.000 2.479 129 V HA 0.146 4.266 4.120 -0.000 0.000 0.281 129 V C -1.505 174.595 176.094 0.010 0.000 1.031 129 V CA -1.454 60.855 62.300 0.016 0.000 1.038 129 V CB 0.088 31.922 31.823 0.018 0.000 0.981 129 V HN 0.746 nan 8.190 nan 0.000 0.478 130 P HA 0.166 nan 4.420 nan 0.000 0.268 130 P C 0.027 177.319 177.300 -0.013 0.000 1.485 130 P CA -0.035 63.063 63.100 -0.004 0.000 1.102 130 P CB 0.220 31.916 31.700 -0.007 0.000 1.501 131 C N 2.288 121.583 119.300 -0.008 0.000 3.255 131 C HA 0.385 4.845 4.460 -0.000 0.000 0.282 131 C C 1.280 176.261 174.990 -0.015 0.000 1.441 131 C CA 0.049 59.059 59.018 -0.014 0.000 1.785 131 C CB -0.755 26.981 27.740 -0.006 0.000 2.583 131 C HN 0.723 nan 8.230 nan 0.000 0.615 132 G N 2.796 111.589 108.800 -0.011 0.000 2.764 132 G HA2 0.041 4.001 3.960 -0.000 0.000 0.343 132 G HA3 0.041 4.001 3.960 -0.000 0.000 0.343 132 G C 0.036 174.930 174.900 -0.010 0.000 0.084 132 G CA 1.245 46.339 45.100 -0.010 0.000 1.234 132 G HN 0.905 nan 8.290 nan 0.000 0.578 141 K N 2.067 122.472 120.400 0.007 0.000 2.209 141 K HA 0.100 4.420 4.320 -0.000 0.000 0.204 141 K C 2.239 178.933 176.600 0.156 0.000 1.048 141 K CA 1.609 57.928 56.287 0.053 0.000 0.940 141 K CB -0.793 31.688 32.500 -0.031 0.000 0.729 141 K HN 0.339 nan 8.250 nan 0.000 0.451 142 G N 1.869 110.741 108.800 0.119 0.000 2.808 142 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.225 142 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.225 142 G C 1.338 176.348 174.900 0.184 0.000 1.210 142 G CA 1.683 46.861 45.100 0.129 0.000 0.777 142 G HN 0.538 nan 8.290 nan 0.000 0.640 143 Y N 1.297 121.668 120.300 0.118 0.000 2.081 143 Y HA -0.244 4.306 4.550 -0.000 0.000 0.280 143 Y C 2.937 178.897 175.900 0.100 0.000 1.163 143 Y CA 2.541 60.692 58.100 0.086 0.000 1.135 143 Y CB -0.660 37.834 38.460 0.057 0.000 0.970 143 Y HN 0.457 nan 8.280 nan 0.000 0.498 144 H N -1.439 117.705 119.070 0.124 0.000 2.319 144 H HA -0.239 4.317 4.556 -0.000 0.000 0.299 144 H C 2.440 177.815 175.328 0.079 0.000 1.092 144 H CA 1.951 58.080 56.048 0.134 0.000 1.302 144 H CB -0.745 29.127 29.762 0.183 0.000 1.373 144 H HN 0.432 nan 8.280 nan 0.000 0.497 145 C N 0.381 119.766 119.300 0.142 0.000 2.429 145 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 145 C C 2.981 177.989 174.990 0.029 0.000 1.262 145 C CA 1.272 60.315 59.018 0.041 0.000 1.733 145 C CB -0.940 26.808 27.740 0.013 0.000 2.010 145 C HN 0.603 nan 8.230 nan 0.000 0.483 146 T N 1.053 115.611 114.554 0.007 0.000 2.720 146 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 146 T C 1.839 176.509 174.700 -0.050 0.000 1.037 146 T CA 1.737 63.825 62.100 -0.020 0.000 1.144 146 T CB -0.337 68.519 68.868 -0.021 0.000 0.864 146 T HN 0.378 nan 8.240 nan 0.000 0.444 147 V N 1.376 121.212 119.914 -0.130 0.000 2.295 147 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 147 V C 2.395 178.539 176.094 0.083 0.000 1.049 147 V CA 1.341 63.560 62.300 -0.136 0.000 1.024 147 V CB -0.685 30.886 31.823 -0.419 0.000 0.648 147 V HN 0.319 nan 8.190 nan 0.000 0.447 148 L N 0.816 122.191 121.223 0.255 0.000 2.083 148 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 148 L C 2.113 179.032 176.870 0.083 0.000 1.083 148 L CA 2.189 57.164 54.840 0.225 0.000 0.752 148 L CB -1.011 41.095 42.059 0.077 0.000 0.899 148 L HN 0.380 nan 8.230 nan 0.000 0.433 149 N N -0.793 117.935 118.700 0.046 0.000 2.069 149 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 149 N C 0.830 176.357 175.510 0.029 0.000 1.031 149 N CA 1.073 54.137 53.050 0.024 0.000 0.852 149 N CB -0.271 38.225 38.487 0.015 0.000 1.018 149 N HN 0.326 nan 8.380 nan 0.000 0.423 153 L N 1.771 122.967 121.223 -0.045 0.000 2.017 153 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 153 L C 2.554 179.364 176.870 -0.100 0.000 1.073 153 L CA 2.555 57.333 54.840 -0.103 0.000 0.745 153 L CB -0.536 41.494 42.059 -0.048 0.000 0.894 153 L HN 0.250 nan 8.230 nan 0.000 0.432 154 A N -0.585 122.249 122.820 0.024 0.000 1.892 154 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 154 A C 2.131 179.701 177.584 -0.024 0.000 1.188 154 A CA 2.173 54.248 52.037 0.064 0.000 0.631 154 A CB -0.951 18.188 19.000 0.231 0.000 0.822 154 A HN 0.442 nan 8.150 nan 0.000 0.447 155 L N -0.584 120.593 121.223 -0.077 0.000 2.141 155 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 155 L C 2.951 179.616 176.870 -0.342 0.000 1.094 155 L CA 1.694 56.405 54.840 -0.214 0.000 0.763 155 L CB -1.157 40.796 42.059 -0.177 0.000 0.908 155 L HN 0.412 nan 8.230 nan 0.000 0.437 156 A N -0.922 121.577 122.820 -0.536 0.000 1.902 156 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 156 A C 2.386 179.540 177.584 -0.717 0.000 1.181 156 A CA 1.848 53.191 52.037 -1.157 0.000 0.623 156 A CB -0.859 17.436 19.000 -1.175 0.000 0.818 156 A HN 0.200 nan 8.150 nan 0.000 0.443 157 V N -0.052 119.650 119.914 -0.353 0.000 2.343 157 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 157 V C 3.054 179.104 176.094 -0.072 0.000 1.051 157 V CA 1.886 64.086 62.300 -0.167 0.000 1.036 157 V CB -1.345 30.424 31.823 -0.090 0.000 0.654 157 V HN 0.617 nan 8.190 nan 0.000 0.451 158 A N 0.708 123.504 122.820 -0.039 0.000 1.883 158 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 158 A C 2.433 180.064 177.584 0.078 0.000 1.186 158 A CA 2.173 54.255 52.037 0.074 0.000 0.624 158 A CB -1.310 17.785 19.000 0.158 0.000 0.822 158 A HN 0.531 nan 8.150 nan 0.000 0.444 159 G N -1.329 107.504 108.800 0.055 0.000 2.402 159 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 159 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 159 G C 1.604 176.680 174.900 0.293 0.000 1.162 159 G CA 1.239 46.480 45.100 0.235 0.000 0.777 159 G HN 0.539 nan 8.290 nan 0.000 0.539 160 Q N 0.274 120.233 119.800 0.264 0.000 2.170 160 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 160 Q C 2.247 178.326 176.000 0.131 0.000 0.976 160 Q CA 1.270 57.220 55.803 0.246 0.000 0.858 160 Q CB -0.147 28.691 28.738 0.167 0.000 0.907 160 Q HN 0.589 nan 8.270 nan 0.000 0.433 161 Q N -0.216 119.639 119.800 0.092 0.000 2.247 161 Q HA 0.092 4.432 4.340 -0.000 0.000 0.205 161 Q C -0.711 175.334 176.000 0.074 0.000 0.896 161 Q CA -0.059 55.785 55.803 0.068 0.000 0.950 161 Q CB 0.462 29.229 28.738 0.047 0.000 1.054 161 Q HN 0.352 nan 8.270 nan 0.000 0.482 162 Q N 0.112 119.969 119.800 0.096 0.000 2.435 162 Q HA -0.245 4.095 4.340 -0.000 0.000 0.312 162 Q C -0.111 175.942 176.000 0.088 0.000 1.333 162 Q CA 0.573 56.430 55.803 0.089 0.000 0.883 162 Q CB -1.074 27.703 28.738 0.066 0.000 1.170 162 Q HN 0.402 nan 8.270 nan 0.000 0.443 163 R N 0.134 120.701 120.500 0.111 0.000 2.629 163 R HA 0.306 4.646 4.340 -0.000 0.000 0.386 163 R C -0.566 175.853 176.300 0.199 0.000 1.071 163 R CA -0.256 55.925 56.100 0.135 0.000 1.104 163 R CB 0.835 31.211 30.300 0.127 0.000 1.370 163 R HN 0.092 nan 8.270 nan 0.000 0.574 164 L N 1.957 123.270 121.223 0.150 0.000 2.529 164 L HA 0.257 4.597 4.340 -0.000 0.000 0.260 164 L C -1.054 175.871 176.870 0.091 0.000 0.997 164 L CA -0.697 54.213 54.840 0.117 0.000 0.885 164 L CB 0.997 43.083 42.059 0.045 0.000 1.185 164 L HN 0.051 nan 8.230 nan 0.000 0.442 165 D N 2.068 122.518 120.400 0.084 0.000 2.506 165 D HA 0.376 5.016 4.640 -0.000 0.000 0.272 165 D C 1.239 177.568 176.300 0.048 0.000 1.214 165 D CA -0.001 54.037 54.000 0.063 0.000 1.067 165 D CB 0.517 41.352 40.800 0.059 0.000 1.117 165 D HN 0.365 nan 8.370 nan 0.000 0.578 166 G N -0.884 107.938 108.800 0.037 0.000 2.440 166 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 166 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 166 G C 1.360 176.277 174.900 0.029 0.000 1.154 166 G CA 1.135 46.252 45.100 0.028 0.000 0.767 166 G HN 0.594 nan 8.290 nan 0.000 0.552 167 E N 0.526 120.748 120.200 0.036 0.000 2.072 167 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 167 E C 2.590 179.220 176.600 0.050 0.000 0.985 167 E CA 1.328 57.752 56.400 0.040 0.000 0.801 167 E CB -0.275 29.451 29.700 0.043 0.000 0.750 167 E HN 0.601 nan 8.360 nan 0.000 0.452 168 Q N -0.497 119.339 119.800 0.060 0.000 2.046 168 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 168 Q C 2.331 178.334 176.000 0.005 0.000 0.975 168 Q CA 1.473 57.318 55.803 0.069 0.000 0.836 168 Q CB -0.192 28.612 28.738 0.111 0.000 0.896 168 Q HN 0.041 nan 8.270 nan 0.000 0.428 169 R N 1.277 121.771 120.500 -0.010 0.000 2.083 169 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 169 R C 2.116 178.410 176.300 -0.010 0.000 1.137 169 R CA 1.995 58.078 56.100 -0.028 0.000 0.951 169 R CB -0.206 30.100 30.300 0.010 0.000 0.851 169 R HN 0.117 nan 8.270 nan 0.000 0.434 170 R N -0.613 119.892 120.500 0.009 0.000 2.062 170 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 170 R C 2.324 178.635 176.300 0.018 0.000 1.128 170 R CA 1.768 57.874 56.100 0.010 0.000 0.960 170 R CB -0.721 29.587 30.300 0.013 0.000 0.855 170 R HN 0.255 nan 8.270 nan 0.000 0.432 171 S N 0.301 116.025 115.700 0.039 0.000 2.372 171 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 171 S C 1.889 176.539 174.600 0.083 0.000 1.044 171 S CA 1.700 59.938 58.200 0.063 0.000 1.050 171 S CB -0.331 62.922 63.200 0.088 0.000 0.901 171 S HN 0.388 nan 8.310 nan 0.000 0.447 172 L N 0.823 122.098 121.223 0.086 0.000 1.989 172 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 172 L C 2.523 179.392 176.870 -0.002 0.000 1.071 172 L CA 1.466 56.383 54.840 0.129 0.000 0.749 172 L CB -0.573 41.521 42.059 0.059 0.000 0.890 172 L HN 0.353 nan 8.230 nan 0.000 0.431 173 L N -0.751 120.442 121.223 -0.050 0.000 2.083 173 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 173 L C 2.535 179.330 176.870 -0.124 0.000 1.083 173 L CA 1.155 55.930 54.840 -0.109 0.000 0.752 173 L CB -0.461 41.564 42.059 -0.057 0.000 0.899 173 L HN 0.291 nan 8.230 nan 0.000 0.433 174 L N -0.771 120.418 121.223 -0.057 0.000 2.017 174 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 174 L C 1.836 178.662 176.870 -0.072 0.000 1.073 174 L CA 0.901 55.713 54.840 -0.046 0.000 0.745 174 L CB -0.381 41.676 42.059 -0.002 0.000 0.894 174 L HN 0.231 nan 8.230 nan 0.000 0.432 178 K N 0.848 121.168 120.400 -0.133 0.000 2.063 178 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 178 K C 1.715 178.339 176.600 0.040 0.000 1.048 178 K CA 2.193 58.481 56.287 0.001 0.000 0.928 178 K CB -0.066 32.426 32.500 -0.012 0.000 0.713 178 K HN 0.073 nan 8.250 nan 0.000 0.442 179 T N 0.829 115.319 114.554 -0.106 0.000 2.737 179 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 179 T C 1.490 176.269 174.700 0.133 0.000 1.038 179 T CA 1.392 63.491 62.100 -0.003 0.000 1.144 179 T CB -0.288 68.572 68.868 -0.014 0.000 0.866 179 T HN 0.125 nan 8.240 nan 0.000 0.434 180 F N 2.373 122.318 119.950 -0.008 0.000 2.095 180 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 180 F C 2.340 178.146 175.800 0.011 0.000 1.104 180 F CA 0.301 58.272 58.000 -0.048 0.000 1.232 180 F CB -1.298 37.614 39.000 -0.147 0.000 0.987 180 F HN 0.138 nan 8.300 nan 0.000 0.475 181 N N -0.697 118.131 118.700 0.214 0.000 2.289 181 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 181 N C 1.630 177.190 175.510 0.082 0.000 1.016 181 N CA 1.015 54.137 53.050 0.120 0.000 0.872 181 N CB -0.576 37.963 38.487 0.087 0.000 0.973 181 N HN 0.457 nan 8.380 nan 0.000 0.433 182 H N -0.096 119.028 119.070 0.089 0.000 2.548 182 H HA 0.174 4.730 4.556 -0.000 0.000 0.265 182 H C 1.830 177.233 175.328 0.126 0.000 0.969 182 H CA 0.021 56.134 56.048 0.108 0.000 1.155 182 H CB 0.570 30.403 29.762 0.119 0.000 1.394 182 H HN 0.166 nan 8.280 nan 0.000 0.570 183 L N 0.753 122.097 121.223 0.202 0.000 2.017 183 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 183 L C -0.439 176.460 176.870 0.048 0.000 1.073 183 L CA 1.046 55.961 54.840 0.125 0.000 0.745 183 L CB -1.657 40.475 42.059 0.122 0.000 0.894 183 L HN 0.185 nan 8.230 nan 0.000 0.432 184 P HA -0.216 nan 4.420 nan 0.000 0.216 184 P C 1.501 178.805 177.300 0.007 0.000 1.153 184 P CA 1.976 65.077 63.100 0.001 0.000 0.858 184 P CB -0.032 31.661 31.700 -0.012 0.000 0.789 185 A N -0.776 122.073 122.820 0.047 0.000 1.933 185 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 185 A C 2.114 179.770 177.584 0.119 0.000 1.175 185 A CA 1.495 53.601 52.037 0.115 0.000 0.628 185 A CB -1.613 17.489 19.000 0.169 0.000 0.814 185 A HN 0.177 nan 8.150 nan 0.000 0.444 186 L N -0.282 120.908 121.223 -0.056 0.000 2.156 186 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 186 L C 2.296 178.961 176.870 -0.342 0.000 1.095 186 L CA 1.520 55.962 54.840 -0.664 0.000 0.770 186 L CB -0.501 41.129 42.059 -0.716 0.000 0.914 186 L HN 0.133 nan 8.230 nan 0.000 0.439 187 V N -0.582 119.254 119.914 -0.129 0.000 2.295 187 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 187 V C 2.468 178.536 176.094 -0.043 0.000 1.049 187 V CA 2.243 64.513 62.300 -0.050 0.000 1.024 187 V CB -0.961 30.856 31.823 -0.010 0.000 0.648 187 V HN 0.517 nan 8.190 nan 0.000 0.447 188 T N 0.393 114.921 114.554 -0.043 0.000 2.708 188 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 188 T C 2.047 176.749 174.700 0.004 0.000 1.037 188 T CA 1.673 63.755 62.100 -0.029 0.000 1.146 188 T CB -0.455 68.405 68.868 -0.014 0.000 0.865 188 T HN 0.567 nan 8.240 nan 0.000 0.435 189 A N 1.352 124.173 122.820 0.002 0.000 1.902 189 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 189 A C 2.614 180.231 177.584 0.055 0.000 1.181 189 A CA 1.948 54.009 52.037 0.040 0.000 0.623 189 A CB -0.878 18.158 19.000 0.061 0.000 0.818 189 A HN 0.444 nan 8.150 nan 0.000 0.443 190 S N -0.708 114.983 115.700 -0.015 0.000 2.382 190 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 190 S C 2.112 176.864 174.600 0.254 0.000 1.027 190 S CA 1.475 59.758 58.200 0.139 0.000 0.991 190 S CB -0.304 62.940 63.200 0.073 0.000 0.823 190 S HN 0.731 nan 8.310 nan 0.000 0.469 191 Q N 0.889 120.772 119.800 0.139 0.000 2.079 191 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 191 Q C 2.278 178.348 176.000 0.117 0.000 0.974 191 Q CA 1.314 57.190 55.803 0.122 0.000 0.840 191 Q CB -0.336 28.415 28.738 0.021 0.000 0.898 191 Q HN 0.550 nan 8.270 nan 0.000 0.430 192 A N 0.414 123.305 122.820 0.118 0.000 1.865 192 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 192 A C 1.726 179.412 177.584 0.169 0.000 1.191 192 A CA 1.516 53.624 52.037 0.119 0.000 0.623 192 A CB -1.448 17.622 19.000 0.118 0.000 0.826 192 A HN 0.784 nan 8.150 nan 0.000 0.444 193 W N 0.713 122.036 121.300 0.039 0.000 2.335 193 W HA -0.133 4.527 4.660 -0.000 0.000 0.311 193 W C 2.395 178.944 176.519 0.049 0.000 1.213 193 W CA 2.312 59.692 57.345 0.058 0.000 1.274 193 W CB -0.362 29.138 29.460 0.066 0.000 1.148 193 W HN 0.359 nan 8.180 nan 0.000 0.498 194 A N 0.171 122.967 122.820 -0.039 0.000 1.940 194 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 194 A C 1.924 179.362 177.584 -0.243 0.000 1.176 194 A CA 2.056 53.905 52.037 -0.313 0.000 0.631 194 A CB -0.856 18.124 19.000 -0.033 0.000 0.814 194 A HN 0.588 nan 8.150 nan 0.000 0.446 195 Q N -1.280 118.466 119.800 -0.091 0.000 2.123 195 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 195 Q C 2.124 178.079 176.000 -0.076 0.000 0.966 195 Q CA 1.650 57.418 55.803 -0.059 0.000 0.845 195 Q CB -0.275 28.465 28.738 0.003 0.000 0.907 195 Q HN 0.646 nan 8.270 nan 0.000 0.439 196 T N 1.442 115.952 114.554 -0.072 0.000 2.788 196 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 196 T C 1.186 175.837 174.700 -0.081 0.000 1.044 196 T CA 1.096 63.169 62.100 -0.045 0.000 1.139 196 T CB -0.065 68.810 68.868 0.011 0.000 0.867 196 T HN 0.233 nan 8.240 nan 0.000 0.454 197 N N 0.385 118.961 118.700 -0.206 0.000 2.238 197 N HA 0.360 5.100 4.740 -0.000 0.000 0.222 197 N C 1.535 176.907 175.510 -0.229 0.000 1.133 197 N CA 0.242 53.178 53.050 -0.189 0.000 0.854 197 N CB 0.330 38.637 38.487 -0.299 0.000 1.041 197 N HN 0.312 nan 8.380 nan 0.000 0.510 198 A N 1.323 124.026 122.820 -0.194 0.000 1.865 198 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 198 A C 2.225 179.743 177.584 -0.109 0.000 1.191 198 A CA 0.965 52.903 52.037 -0.165 0.000 0.623 198 A CB -0.677 18.252 19.000 -0.118 0.000 0.826 198 A HN 0.223 nan 8.150 nan 0.000 0.444 199 L N -0.825 120.359 121.223 -0.064 0.000 2.013 199 L HA -0.281 4.058 4.340 -0.000 0.000 0.212 199 L C 3.142 180.002 176.870 -0.016 0.000 1.073 199 L CA 1.348 56.169 54.840 -0.032 0.000 0.753 199 L CB -0.586 41.467 42.059 -0.011 0.000 0.890 199 L HN 0.486 nan 8.230 nan 0.000 0.432 200 A N -0.031 122.793 122.820 0.007 0.000 1.858 200 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 200 A C 2.208 179.810 177.584 0.030 0.000 1.190 200 A CA 1.485 53.563 52.037 0.069 0.000 0.617 200 A CB -0.805 18.315 19.000 0.199 0.000 0.827 200 A HN 0.363 nan 8.150 nan 0.000 0.443 201 L N -1.074 120.097 121.223 -0.086 0.000 2.131 201 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 201 L C 2.867 179.683 176.870 -0.090 0.000 1.092 201 L CA 1.371 56.116 54.840 -0.158 0.000 0.759 201 L CB -0.437 41.419 42.059 -0.337 0.000 0.903 201 L HN 0.372 nan 8.230 nan 0.000 0.435 202 R N 0.106 120.560 120.500 -0.077 0.000 2.073 202 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 202 R C 1.957 178.239 176.300 -0.029 0.000 1.120 202 R CA 1.411 57.478 56.100 -0.055 0.000 0.967 202 R CB -0.805 29.463 30.300 -0.054 0.000 0.862 202 R HN 0.489 nan 8.270 nan 0.000 0.436 203 D N 0.614 121.006 120.400 -0.013 0.000 2.390 203 D HA 0.039 4.679 4.640 -0.000 0.000 0.235 203 D C 0.291 176.598 176.300 0.011 0.000 1.040 203 D CA 0.435 54.437 54.000 0.004 0.000 0.923 203 D CB 0.094 40.904 40.800 0.017 0.000 0.886 203 D HN 0.111 nan 8.370 nan 0.000 0.532 204 S N -1.308 114.395 115.700 0.006 0.000 2.578 204 S HA 0.605 5.075 4.470 -0.000 0.000 0.283 204 S C 1.731 176.322 174.600 -0.016 0.000 1.195 204 S CA -0.064 58.139 58.200 0.005 0.000 1.050 204 S CB 1.811 65.023 63.200 0.019 0.000 1.012 204 S HN 0.517 nan 8.310 nan 0.000 0.511 205 A N 2.133 124.936 122.820 -0.028 0.000 1.873 205 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 205 A C 0.579 178.143 177.584 -0.032 0.000 1.186 205 A CA 1.645 53.662 52.037 -0.032 0.000 0.616 205 A CB -0.539 18.436 19.000 -0.042 0.000 0.823 205 A HN 0.893 nan 8.150 nan 0.000 0.442 206 D N -3.387 116.987 120.400 -0.044 0.000 2.596 206 D HA 0.615 5.255 4.640 -0.000 0.000 0.262 206 D C -0.888 175.402 176.300 -0.016 0.000 1.210 206 D CA -0.567 53.418 54.000 -0.025 0.000 0.873 206 D CB 0.893 41.683 40.800 -0.016 0.000 1.408 206 D HN 0.109 nan 8.370 nan 0.000 0.441 207 I N -0.325 120.260 120.570 0.024 0.000 2.582 207 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 207 I C -0.622 175.574 176.117 0.132 0.000 1.066 207 I CA -1.077 60.261 61.300 0.065 0.000 1.053 207 I CB 1.785 39.805 38.000 0.034 0.000 1.241 207 I HN 0.096 nan 8.210 nan 0.000 0.421 208 R N 6.658 127.285 120.500 0.211 0.000 2.494 208 R HA 0.687 5.027 4.340 -0.000 0.000 0.305 208 R C -1.164 175.234 176.300 0.164 0.000 0.959 208 R CA -0.800 55.468 56.100 0.281 0.000 0.864 208 R CB 1.863 32.428 30.300 0.442 0.000 1.159 208 R HN 0.553 nan 8.270 nan 0.000 0.446 209 L N 0.865 122.166 121.223 0.129 0.000 2.334 209 L HA 0.667 5.007 4.340 -0.000 0.000 0.273 209 L C 0.541 177.423 176.870 0.021 0.000 1.013 209 L CA -0.632 54.238 54.840 0.050 0.000 0.816 209 L CB 2.075 44.145 42.059 0.017 0.000 1.278 209 L HN 0.549 nan 8.230 nan 0.000 0.431 210 T N 0.543 115.077 114.554 -0.033 0.000 2.792 210 T HA 0.847 5.197 4.350 -0.000 0.000 0.303 210 T C -0.831 173.881 174.700 0.020 0.000 1.310 210 T CA 0.039 62.132 62.100 -0.013 0.000 1.007 210 T CB 2.121 70.855 68.868 -0.223 0.000 1.335 210 T HN 0.967 nan 8.240 nan 0.000 0.504 211 G N 1.553 110.407 108.800 0.089 0.000 2.342 211 G HA2 0.573 4.533 3.960 -0.000 0.000 0.297 211 G HA3 0.573 4.533 3.960 -0.000 0.000 0.297 211 G C -3.358 171.580 174.900 0.064 0.000 1.313 211 G CA -0.740 44.365 45.100 0.009 0.000 0.830 211 G HN 0.648 nan 8.290 nan 0.000 0.506 212 P HA 0.340 nan 4.420 nan 0.000 0.272 212 P C 1.020 178.340 177.300 0.034 0.000 1.240 212 P CA 0.671 63.761 63.100 -0.017 0.000 0.791 212 P CB 1.141 32.777 31.700 -0.107 0.000 0.978 213 A N 1.571 124.412 122.820 0.034 0.000 2.024 213 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 213 A C 1.942 179.546 177.584 0.033 0.000 1.164 213 A CA 2.447 54.502 52.037 0.030 0.000 0.643 213 A CB -2.080 16.905 19.000 -0.025 0.000 0.806 213 A HN 0.687 nan 8.150 nan 0.000 0.451 214 T N -2.246 112.301 114.554 -0.013 0.000 2.977 214 T HA 0.051 4.401 4.350 -0.000 0.000 0.271 214 T C 0.971 175.653 174.700 -0.031 0.000 1.105 214 T CA 1.251 63.332 62.100 -0.031 0.000 1.116 214 T CB -0.313 68.515 68.868 -0.067 0.000 0.878 214 T HN 0.312 nan 8.240 nan 0.000 0.509 215 L N -0.233 120.975 121.223 -0.026 0.000 3.218 215 L HA 0.446 4.786 4.340 -0.000 0.000 0.279 215 L C 1.135 178.016 176.870 0.018 0.000 1.287 215 L CA -0.456 54.356 54.840 -0.047 0.000 1.024 215 L CB -0.070 41.895 42.059 -0.157 0.000 1.409 215 L HN 0.059 nan 8.230 nan 0.000 0.580 216 F N 1.642 121.551 119.950 -0.069 0.000 2.102 216 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 216 F C 2.140 177.889 175.800 -0.085 0.000 1.105 216 F CA 1.927 59.892 58.000 -0.057 0.000 1.239 216 F CB -0.224 38.753 39.000 -0.039 0.000 0.991 216 F HN 0.139 nan 8.300 nan 0.000 0.474 217 G N -0.993 107.717 108.800 -0.150 0.000 2.450 217 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 217 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 217 G C 1.626 176.380 174.900 -0.242 0.000 1.130 217 G CA 1.396 46.362 45.100 -0.224 0.000 0.760 217 G HN 0.411 nan 8.290 nan 0.000 0.557 218 T N 1.074 115.538 114.554 -0.150 0.000 2.674 218 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 218 T C 2.715 177.261 174.700 -0.255 0.000 1.039 218 T CA 2.137 64.143 62.100 -0.156 0.000 1.150 218 T CB -0.570 68.259 68.868 -0.065 0.000 0.864 218 T HN 0.339 nan 8.240 nan 0.000 0.427 219 V N 0.426 120.189 119.914 -0.251 0.000 2.515 219 V HA -0.147 3.973 4.120 -0.000 0.000 0.250 219 V C 2.356 178.222 176.094 -0.381 0.000 1.058 219 V CA 1.278 63.432 62.300 -0.243 0.000 1.064 219 V CB -0.849 30.884 31.823 -0.150 0.000 0.675 219 V HN 0.295 nan 8.190 nan 0.000 0.461 220 Q N 0.526 119.957 119.800 -0.615 0.000 2.050 220 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 220 Q C 2.354 177.829 176.000 -0.876 0.000 0.980 220 Q CA 2.273 57.594 55.803 -0.803 0.000 0.840 220 Q CB -0.289 27.804 28.738 -1.074 0.000 0.898 220 Q HN 0.809 nan 8.270 nan 0.000 0.424 221 E N 0.267 119.967 120.200 -0.833 0.000 2.077 221 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 221 E C 1.938 178.342 176.600 -0.326 0.000 0.989 221 E CA 1.512 57.598 56.400 -0.523 0.000 0.800 221 E CB -0.682 28.617 29.700 -0.668 0.000 0.746 221 E HN 0.363 nan 8.360 nan 0.000 0.452 222 G N 0.424 109.042 108.800 -0.303 0.000 2.446 222 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 222 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 222 G C 1.741 176.567 174.900 -0.123 0.000 1.168 222 G CA 1.396 46.396 45.100 -0.166 0.000 0.771 222 G HN 0.465 nan 8.290 nan 0.000 0.551 223 A N 0.278 123.004 122.820 -0.156 0.000 1.902 223 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 223 A C 2.373 179.915 177.584 -0.069 0.000 1.181 223 A CA 1.792 53.765 52.037 -0.106 0.000 0.623 223 A CB -0.460 18.457 19.000 -0.138 0.000 0.818 223 A HN 0.457 nan 8.150 nan 0.000 0.443 224 L N -0.349 120.831 121.223 -0.073 0.000 2.017 224 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 224 L C 1.065 177.946 176.870 0.019 0.000 1.073 224 L CA 1.470 56.322 54.840 0.020 0.000 0.745 224 L CB -0.533 41.617 42.059 0.151 0.000 0.894 224 L HN 0.122 nan 8.230 nan 0.000 0.432 228 E N -0.412 119.792 120.200 0.007 0.000 2.110 228 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 228 E C 1.048 177.654 176.600 0.009 0.000 0.988 228 E CA 2.132 58.541 56.400 0.016 0.000 0.804 228 E CB 0.151 29.872 29.700 0.036 0.000 0.745 228 E HN 0.663 nan 8.360 nan 0.000 0.458 229 T N 0.268 114.820 114.554 -0.004 0.000 3.004 229 T HA 0.095 4.445 4.350 -0.000 0.000 0.243 229 T C 1.769 176.442 174.700 -0.045 0.000 1.020 229 T CA 0.392 62.478 62.100 -0.023 0.000 1.145 229 T CB 0.041 68.875 68.868 -0.057 0.000 0.876 229 T HN 0.104 nan 8.240 nan 0.000 0.449 230 L N 0.386 121.578 121.223 -0.052 0.000 2.341 230 L HA 0.203 4.543 4.340 -0.000 0.000 0.214 230 L C 0.721 177.568 176.870 -0.038 0.000 1.115 230 L CA 0.216 55.023 54.840 -0.056 0.000 0.820 230 L CB -0.243 41.778 42.059 -0.064 0.000 0.944 230 L HN 0.129 nan 8.230 nan 0.000 0.452 231 R N -0.662 119.822 120.500 -0.027 0.000 3.774 231 R HA -0.149 4.191 4.340 -0.000 0.000 0.320 231 R C -0.393 175.896 176.300 -0.018 0.000 1.175 231 R CA 0.851 56.940 56.100 -0.019 0.000 0.849 231 R CB -3.152 27.137 30.300 -0.018 0.000 1.365 231 R HN 0.590 nan 8.270 nan 0.000 0.502 232 C N -3.300 115.988 119.300 -0.019 0.000 2.889 232 C HA 0.814 5.274 4.460 -0.000 0.000 0.307 232 C C -2.511 172.473 174.990 -0.009 0.000 1.251 232 C CA -2.665 56.343 59.018 -0.016 0.000 1.593 232 C CB 2.007 29.734 27.740 -0.021 0.000 2.104 232 C HN 0.014 nan 8.230 nan 0.000 0.476 233 P HA 0.370 nan 4.420 nan 0.000 0.264 233 P C -0.800 176.510 177.300 0.017 0.000 1.193 233 P CA 0.238 63.344 63.100 0.010 0.000 0.763 233 P CB 0.396 32.106 31.700 0.016 0.000 0.810 234 V N 2.722 122.648 119.914 0.020 0.000 2.711 234 V HA 0.422 4.542 4.120 -0.000 0.000 0.304 234 V C -0.386 175.718 176.094 0.017 0.000 1.097 234 V CA -0.434 61.882 62.300 0.026 0.000 0.906 234 V CB 2.226 34.050 31.823 0.001 0.000 1.015 234 V HN 0.449 nan 8.190 nan 0.000 0.427 235 S N 1.844 117.573 115.700 0.048 0.000 2.548 235 S HA 0.866 5.336 4.470 -0.000 0.000 0.286 235 S C 0.037 174.567 174.600 -0.116 0.000 1.098 235 S CA -0.524 57.635 58.200 -0.068 0.000 0.930 235 S CB 2.175 65.342 63.200 -0.056 0.000 1.070 235 S HN 1.179 nan 8.310 nan 0.000 0.480 236 G N 1.348 109.955 108.800 -0.322 0.000 2.478 236 G HA2 0.668 4.628 3.960 -0.000 0.000 0.317 236 G HA3 0.668 4.628 3.960 -0.000 0.000 0.317 236 G C -1.760 172.968 174.900 -0.287 0.000 1.259 236 G CA -0.356 44.608 45.100 -0.226 0.000 0.933 236 G HN 0.493 nan 8.290 nan 0.000 0.478 237 Y N 0.301 120.668 120.300 0.112 0.000 2.536 237 Y HA 0.436 4.986 4.550 -0.000 0.000 0.347 237 Y C 0.394 176.478 175.900 0.306 0.000 1.000 237 Y CA -1.190 57.075 58.100 0.275 0.000 1.051 237 Y CB 1.886 40.520 38.460 0.291 0.000 1.259 237 Y HN 0.451 nan 8.280 nan 0.000 0.468 238 E N 2.036 122.564 120.200 0.547 0.000 2.373 238 E HA -0.026 4.324 4.350 -0.000 0.000 0.267 238 E C 0.457 177.246 176.600 0.314 0.000 1.032 238 E CA -0.024 56.588 56.400 0.353 0.000 0.889 238 E CB 0.592 30.338 29.700 0.075 0.000 0.984 238 E HN 0.734 nan 8.360 nan 0.000 0.425 239 F N 4.723 124.753 119.950 0.134 0.000 2.043 239 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 239 F C 1.815 177.710 175.800 0.159 0.000 1.118 239 F CA 2.032 60.105 58.000 0.122 0.000 1.202 239 F CB 0.158 39.187 39.000 0.048 0.000 0.965 239 F HN 0.548 nan 8.300 nan 0.000 0.482 240 E N 0.208 120.431 120.200 0.039 0.000 2.150 240 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 240 E C 2.131 178.694 176.600 -0.062 0.000 0.985 240 E CA 1.158 57.507 56.400 -0.085 0.000 0.814 240 E CB -0.440 29.284 29.700 0.041 0.000 0.752 240 E HN 0.566 nan 8.360 nan 0.000 0.466 241 E N 0.211 120.430 120.200 0.031 0.000 2.106 241 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 241 E C 1.905 178.556 176.600 0.085 0.000 0.984 241 E CA 0.375 56.828 56.400 0.088 0.000 0.806 241 E CB -0.406 29.384 29.700 0.151 0.000 0.750 241 E HN 0.247 nan 8.360 nan 0.000 0.458 242 F N 1.652 121.533 119.950 -0.116 0.000 2.102 242 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 242 F C 2.053 177.637 175.800 -0.360 0.000 1.105 242 F CA 1.020 58.831 58.000 -0.316 0.000 1.239 242 F CB -0.075 38.736 39.000 -0.314 0.000 0.991 242 F HN -0.104 nan 8.300 nan 0.000 0.474 243 I N 0.266 120.591 120.570 -0.409 0.000 2.179 243 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 243 I C 2.634 178.550 176.117 -0.334 0.000 1.088 243 I CA 1.872 62.889 61.300 -0.472 0.000 1.357 243 I CB -1.773 35.972 38.000 -0.424 0.000 1.051 243 I HN 0.349 nan 8.210 nan 0.000 0.409 244 H N 0.833 119.743 119.070 -0.267 0.000 2.387 244 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 244 H C 1.483 176.703 175.328 -0.179 0.000 1.099 244 H CA 1.679 57.624 56.048 -0.172 0.000 1.315 244 H CB 0.207 29.910 29.762 -0.100 0.000 1.380 244 H HN 0.340 nan 8.280 nan 0.000 0.513 245 G N 0.181 108.848 108.800 -0.222 0.000 4.044 245 G HA2 0.096 4.056 3.960 -0.000 0.000 0.297 245 G HA3 0.096 4.056 3.960 -0.000 0.000 0.297 245 G C 1.202 175.861 174.900 -0.402 0.000 1.101 245 G CA -0.037 44.914 45.100 -0.248 0.000 0.884 245 G HN 0.312 nan 8.290 nan 0.000 0.538 246 I N 0.167 120.360 120.570 -0.629 0.000 2.185 246 I HA -0.228 3.942 4.170 -0.000 0.000 0.246 246 I C 2.002 177.733 176.117 -0.644 0.000 1.088 246 I CA 1.534 62.280 61.300 -0.924 0.000 1.347 246 I CB -0.090 37.279 38.000 -1.051 0.000 1.041 246 I HN 0.329 nan 8.210 nan 0.000 0.415 247 Y N 0.208 120.351 120.300 -0.261 0.000 2.571 247 Y HA -0.007 4.543 4.550 -0.000 0.000 0.294 247 Y C 2.036 177.868 175.900 -0.113 0.000 1.141 247 Y CA 0.721 58.723 58.100 -0.164 0.000 1.308 247 Y CB -0.724 37.646 38.460 -0.150 0.000 1.002 247 Y HN 0.285 nan 8.280 nan 0.000 0.551 248 N N -0.961 117.731 118.700 -0.014 0.000 2.299 248 N HA 0.167 4.907 4.740 -0.000 0.000 0.187 248 N C 1.222 176.743 175.510 0.019 0.000 1.099 248 N CA 0.757 53.815 53.050 0.014 0.000 0.867 248 N CB 0.452 38.952 38.487 0.021 0.000 0.974 248 N HN 0.238 nan 8.380 nan 0.000 0.477 249 A N -0.866 121.913 122.820 -0.069 0.000 2.469 249 A HA 0.396 4.716 4.320 -0.000 0.000 0.245 249 A C -0.267 177.410 177.584 0.156 0.000 1.221 249 A CA -0.155 51.865 52.037 -0.027 0.000 0.946 249 A CB 0.443 19.196 19.000 -0.413 0.000 1.049 249 A HN 0.128 nan 8.150 nan 0.000 0.529 250 F N 0.024 119.921 119.950 -0.088 0.000 2.704 250 F HA 0.418 4.945 4.527 -0.000 0.000 0.312 250 F C -1.480 174.305 175.800 -0.024 0.000 1.108 250 F CA -0.926 57.065 58.000 -0.016 0.000 1.005 250 F CB 1.125 40.115 39.000 -0.017 0.000 1.277 250 F HN 0.284 nan 8.300 nan 0.000 0.445 251 N N 2.527 121.124 118.700 -0.173 0.000 2.902 251 N HA 0.634 5.374 4.740 -0.000 0.000 0.268 251 N C -0.113 175.334 175.510 -0.104 0.000 1.450 251 N CA -0.326 52.700 53.050 -0.040 0.000 0.819 251 N CB 0.913 39.363 38.487 -0.061 0.000 1.540 251 N HN 0.571 nan 8.380 nan 0.000 0.545 252 A N -0.924 121.892 122.820 -0.006 0.000 2.024 252 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 252 A C 1.392 178.975 177.584 -0.003 0.000 1.164 252 A CA 1.317 53.391 52.037 0.060 0.000 0.643 252 A CB -0.713 18.334 19.000 0.079 0.000 0.806 252 A HN 0.610 nan 8.150 nan 0.000 0.451 253 Q N 0.416 120.165 119.800 -0.085 0.000 2.432 253 Q HA 0.106 4.446 4.340 -0.000 0.000 0.205 253 Q C 0.409 176.314 176.000 -0.159 0.000 0.945 253 Q CA 0.321 56.074 55.803 -0.083 0.000 0.924 253 Q CB -0.240 28.457 28.738 -0.068 0.000 1.016 253 Q HN 0.570 nan 8.270 nan 0.000 0.503 254 S N 0.554 116.017 115.700 -0.395 0.000 2.617 254 S HA 0.592 5.062 4.470 -0.000 0.000 0.269 254 S C -0.133 174.310 174.600 -0.261 0.000 1.292 254 S CA -0.558 57.313 58.200 -0.549 0.000 1.010 254 S CB 1.411 63.813 63.200 -1.330 0.000 0.944 254 S HN 0.310 nan 8.310 nan 0.000 0.536 255 A N 1.250 124.070 122.820 -0.001 0.000 2.350 255 A HA 0.767 5.087 4.320 -0.000 0.000 0.324 255 A C -1.195 176.650 177.584 0.434 0.000 1.118 255 A CA -0.602 51.606 52.037 0.285 0.000 0.783 255 A CB 0.808 19.946 19.000 0.230 0.000 1.236 255 A HN 0.622 nan 8.150 nan 0.000 0.457 256 L N 2.949 124.489 121.223 0.529 0.000 2.333 256 L HA 0.733 5.073 4.340 -0.000 0.000 0.280 256 L C -0.747 176.338 176.870 0.358 0.000 1.004 256 L CA -0.185 54.896 54.840 0.402 0.000 0.820 256 L CB 0.913 43.134 42.059 0.269 0.000 1.247 256 L HN 0.679 nan 8.230 nan 0.000 0.416 260 D N 4.441 124.728 120.400 -0.189 0.000 2.517 260 D HA 0.207 4.846 4.640 -0.000 0.000 0.301 260 D C -1.726 174.468 176.300 -0.178 0.000 1.202 260 D CA -1.036 52.862 54.000 -0.171 0.000 0.910 260 D CB 1.741 42.492 40.800 -0.082 0.000 1.021 260 D HN 0.281 nan 8.370 nan 0.000 0.499 261 P HA -0.130 nan 4.420 nan 0.000 0.223 261 P C 0.269 177.520 177.300 -0.082 0.000 1.151 261 P CA 1.017 63.970 63.100 -0.244 0.000 0.787 261 P CB 0.587 32.023 31.700 -0.440 0.000 0.788 262 Q N -1.580 118.159 119.800 -0.101 0.000 2.482 262 Q HA 0.587 4.927 4.340 -0.000 0.000 0.286 262 Q C -3.224 172.734 176.000 -0.070 0.000 1.007 262 Q CA -2.563 53.204 55.803 -0.059 0.000 0.801 262 Q CB 0.509 29.211 28.738 -0.059 0.000 1.455 262 Q HN -0.247 nan 8.270 nan 0.000 0.398 263 P HA 0.083 nan 4.420 nan 0.000 0.265 263 P C -1.205 176.049 177.300 -0.077 0.000 1.193 263 P CA 0.490 63.560 63.100 -0.051 0.000 0.765 263 P CB 0.392 32.073 31.700 -0.031 0.000 0.823 264 D N 1.495 121.838 120.400 -0.095 0.000 2.764 264 D HA 0.279 4.919 4.640 -0.000 0.000 0.227 264 D C 0.601 176.838 176.300 -0.105 0.000 1.347 264 D CA -0.534 53.393 54.000 -0.122 0.000 0.953 264 D CB 1.852 42.528 40.800 -0.207 0.000 1.476 264 D HN 0.205 nan 8.370 nan 0.000 0.585 265 A N 4.498 127.279 122.820 -0.064 0.000 1.883 265 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 265 A C 1.988 179.559 177.584 -0.022 0.000 1.186 265 A CA 1.282 53.300 52.037 -0.032 0.000 0.624 265 A CB -0.168 18.824 19.000 -0.013 0.000 0.822 265 A HN 0.667 nan 8.150 nan 0.000 0.444 266 R N -0.665 119.820 120.500 -0.025 0.000 2.081 266 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 266 R C 2.508 178.831 176.300 0.038 0.000 1.131 266 R CA 1.662 57.798 56.100 0.061 0.000 0.960 266 R CB -0.338 30.055 30.300 0.155 0.000 0.856 266 R HN 0.697 nan 8.270 nan 0.000 0.436 267 Q N 0.309 119.928 119.800 -0.302 0.000 2.079 267 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 267 Q C 1.540 177.499 176.000 -0.068 0.000 0.974 267 Q CA 1.117 56.692 55.803 -0.379 0.000 0.840 267 Q CB -0.010 28.368 28.738 -0.601 0.000 0.898 267 Q HN 0.325 nan 8.270 nan 0.000 0.430 268 D N 0.533 120.895 120.400 -0.063 0.000 2.123 268 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 268 D C 1.901 178.217 176.300 0.026 0.000 0.992 268 D CA 1.114 55.106 54.000 -0.014 0.000 0.833 268 D CB -0.117 40.673 40.800 -0.017 0.000 0.954 268 D HN 0.023 nan 8.370 nan 0.000 0.455 269 R N 0.870 121.397 120.500 0.045 0.000 2.073 269 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 269 R C 2.170 178.525 176.300 0.090 0.000 1.134 269 R CA 0.823 56.962 56.100 0.065 0.000 0.952 269 R CB -1.055 29.289 30.300 0.073 0.000 0.850 269 R HN 0.192 nan 8.270 nan 0.000 0.433 270 L N 0.323 121.635 121.223 0.148 0.000 2.017 270 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 270 L C 2.133 179.063 176.870 0.098 0.000 1.073 270 L CA 2.316 57.247 54.840 0.152 0.000 0.745 270 L CB -1.111 41.132 42.059 0.307 0.000 0.894 270 L HN 0.269 nan 8.230 nan 0.000 0.432 271 A N -1.063 121.811 122.820 0.090 0.000 1.908 271 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 271 A C 2.182 179.795 177.584 0.048 0.000 1.181 271 A CA 1.987 54.059 52.037 0.057 0.000 0.627 271 A CB -0.648 18.377 19.000 0.042 0.000 0.818 271 A HN 0.679 nan 8.150 nan 0.000 0.445 272 Q N -0.607 119.220 119.800 0.044 0.000 2.084 272 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 272 Q C 2.037 178.062 176.000 0.041 0.000 0.978 272 Q CA 1.600 57.423 55.803 0.033 0.000 0.844 272 Q CB -0.311 28.444 28.738 0.027 0.000 0.898 272 Q HN 0.762 nan 8.270 nan 0.000 0.426 273 I N 0.242 120.854 120.570 0.069 0.000 2.193 273 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 273 I C 2.127 178.362 176.117 0.197 0.000 1.084 273 I CA 0.927 62.296 61.300 0.115 0.000 1.365 273 I CB -0.205 37.870 38.000 0.126 0.000 1.064 273 I HN 0.186 nan 8.210 nan 0.000 0.410 274 L N 0.611 121.925 121.223 0.151 0.000 2.083 274 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 274 L C 2.683 179.671 176.870 0.197 0.000 1.083 274 L CA 1.485 56.435 54.840 0.184 0.000 0.752 274 L CB -1.154 40.897 42.059 -0.013 0.000 0.899 274 L HN 0.338 nan 8.230 nan 0.000 0.433 275 G N -0.499 108.362 108.800 0.102 0.000 2.469 275 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 275 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 275 G C 1.448 176.363 174.900 0.025 0.000 1.136 275 G CA 0.476 45.611 45.100 0.059 0.000 0.759 275 G HN 0.319 nan 8.290 nan 0.000 0.562 276 E N -0.256 119.921 120.200 -0.038 0.000 2.204 276 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 276 E C 2.051 178.474 176.600 -0.295 0.000 0.989 276 E CA 0.748 57.016 56.400 -0.219 0.000 0.824 276 E CB -0.127 29.348 29.700 -0.374 0.000 0.756 276 E HN 0.812 nan 8.360 nan 0.000 0.477 277 W N 0.209 121.544 121.300 0.059 0.000 2.683 277 W HA 0.086 4.746 4.660 -0.000 0.000 0.267 277 W C 1.082 177.659 176.519 0.097 0.000 1.243 277 W CA 0.179 57.574 57.345 0.082 0.000 1.380 277 W CB 0.525 30.051 29.460 0.111 0.000 1.063 277 W HN -0.227 nan 8.180 nan 0.000 0.599 278 T N 0.083 114.824 114.554 0.313 0.000 2.956 278 T HA 0.239 4.589 4.350 -0.000 0.000 0.312 278 T C -2.287 172.501 174.700 0.146 0.000 1.151 278 T CA -1.834 60.408 62.100 0.236 0.000 1.024 278 T CB 1.927 70.979 68.868 0.307 0.000 1.140 278 T HN -0.330 nan 8.240 nan 0.000 0.473 279 P HA 0.219 nan 4.420 nan 0.000 0.255 279 P C 0.218 177.499 177.300 -0.031 0.000 1.248 279 P CA -0.112 63.004 63.100 0.026 0.000 0.807 279 P CB 0.205 31.919 31.700 0.022 0.000 1.150 280 S N 0.974 116.714 115.700 0.067 0.000 3.983 280 S HA 0.282 4.751 4.470 -0.000 0.000 0.194 280 S C 0.480 175.143 174.600 0.104 0.000 1.464 280 S CA -0.094 58.177 58.200 0.117 0.000 1.021 280 S CB -1.035 62.339 63.200 0.291 0.000 1.424 280 S HN 0.142 nan 8.310 nan 0.000 0.473 281 I N 1.944 122.374 120.570 -0.232 0.000 2.466 281 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 281 I C -1.342 174.595 176.117 -0.301 0.000 1.026 281 I CA -0.875 60.388 61.300 -0.062 0.000 1.078 281 I CB 1.683 39.688 38.000 0.009 0.000 1.249 281 I HN 0.222 nan 8.210 nan 0.000 0.429 282 Y N 4.873 125.288 120.300 0.192 0.000 2.329 282 Y HA 0.553 5.103 4.550 -0.000 0.000 0.328 282 Y C -0.197 175.836 175.900 0.220 0.000 0.992 282 Y CA -0.763 57.496 58.100 0.267 0.000 1.151 282 Y CB 1.566 40.250 38.460 0.373 0.000 1.150 282 Y HN 0.394 nan 8.280 nan 0.000 0.450 283 R N 3.462 124.125 120.500 0.272 0.000 2.589 283 R HA 0.761 5.101 4.340 -0.000 0.000 0.293 283 R C -1.214 175.147 176.300 0.102 0.000 0.963 283 R CA -0.760 55.431 56.100 0.152 0.000 0.905 283 R CB 1.969 32.323 30.300 0.090 0.000 1.144 283 R HN 0.619 nan 8.270 nan 0.000 0.459 284 I N 1.691 122.292 120.570 0.052 0.000 2.418 284 I HA 0.641 4.811 4.170 -0.000 0.000 0.287 284 I C 0.175 176.372 176.117 0.133 0.000 1.008 284 I CA -0.384 60.942 61.300 0.043 0.000 1.104 284 I CB 2.127 40.124 38.000 -0.005 0.000 1.264 284 I HN 0.817 nan 8.210 nan 0.000 0.438 285 G N 6.363 115.337 108.800 0.290 0.000 2.338 285 G HA2 0.263 4.223 3.960 -0.000 0.000 0.295 285 G HA3 0.263 4.223 3.960 -0.000 0.000 0.295 285 G C -2.887 172.269 174.900 0.426 0.000 1.461 285 G CA -0.498 44.783 45.100 0.301 0.000 0.817 285 G HN 0.254 nan 8.290 nan 0.000 0.556 286 P HA -0.019 nan 4.420 nan 0.000 0.221 286 P C 0.699 178.084 177.300 0.142 0.000 1.150 286 P CA 1.206 64.477 63.100 0.286 0.000 0.800 286 P CB 0.477 32.326 31.700 0.248 0.000 0.787 287 Q N -0.128 119.739 119.800 0.112 0.000 2.135 287 Q HA 0.174 4.514 4.340 -0.000 0.000 0.231 287 Q C 0.230 176.264 176.000 0.056 0.000 0.817 287 Q CA -0.325 55.517 55.803 0.065 0.000 1.073 287 Q CB 1.080 29.843 28.738 0.042 0.000 1.176 287 Q HN 0.075 nan 8.270 nan 0.000 0.478 288 V N -1.861 118.098 119.914 0.075 0.000 3.051 288 V HA 0.211 4.331 4.120 -0.000 0.000 0.306 288 V C 0.265 176.394 176.094 0.059 0.000 1.083 288 V CA -0.812 61.525 62.300 0.062 0.000 1.104 288 V CB 1.115 32.985 31.823 0.078 0.000 1.027 288 V HN 0.234 nan 8.190 nan 0.000 0.483 289 E N 2.024 122.254 120.200 0.050 0.000 2.384 289 E HA -0.006 4.344 4.350 -0.000 0.000 0.266 289 E C 0.072 176.709 176.600 0.062 0.000 1.012 289 E CA -0.142 56.286 56.400 0.047 0.000 0.901 289 E CB 0.403 30.125 29.700 0.037 0.000 0.967 289 E HN 0.810 nan 8.360 nan 0.000 0.435 290 N N 3.749 122.484 118.700 0.058 0.000 3.091 290 N HA -0.014 4.726 4.740 -0.000 0.000 0.301 290 N C -1.023 174.531 175.510 0.074 0.000 1.325 290 N CA -0.380 52.712 53.050 0.070 0.000 1.143 290 N CB -0.422 38.100 38.487 0.058 0.000 1.450 290 N HN 0.418 nan 8.380 nan 0.000 0.542 291 N N -1.701 117.046 118.700 0.077 0.000 2.327 291 N HA 0.184 4.924 4.740 -0.000 0.000 0.257 291 N C 1.485 177.061 175.510 0.109 0.000 1.281 291 N CA -0.074 53.020 53.050 0.073 0.000 0.942 291 N CB -0.317 38.202 38.487 0.053 0.000 1.199 291 N HN 0.006 nan 8.380 nan 0.000 0.532 292 G N -0.828 108.033 108.800 0.101 0.000 2.448 292 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 292 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 292 G C 1.283 176.308 174.900 0.208 0.000 1.127 292 G CA 0.572 45.753 45.100 0.135 0.000 0.766 292 G HN 0.472 nan 8.290 nan 0.000 0.552 293 L N 0.173 121.506 121.223 0.183 0.000 2.072 293 L HA 0.095 4.435 4.340 -0.000 0.000 0.205 293 L C 1.027 178.230 176.870 0.554 0.000 1.079 293 L CA 0.127 55.124 54.840 0.261 0.000 0.752 293 L CB -0.602 41.417 42.059 -0.067 0.000 0.906 293 L HN 0.045 nan 8.230 nan 0.000 0.436 294 N N 0.895 119.814 118.700 0.366 0.000 2.399 294 N HA 0.199 4.939 4.740 -0.000 0.000 0.250 294 N C -0.558 175.103 175.510 0.251 0.000 1.272 294 N CA -0.249 53.001 53.050 0.334 0.000 0.928 294 N CB 0.859 39.447 38.487 0.169 0.000 1.158 294 N HN -0.132 nan 8.380 nan 0.000 0.463 295 L N 1.613 122.778 121.223 -0.098 0.000 2.356 295 L HA 0.323 4.663 4.340 -0.000 0.000 0.264 295 L C -0.469 176.387 176.870 -0.024 0.000 1.029 295 L CA -0.404 54.229 54.840 -0.344 0.000 0.897 295 L CB -0.280 41.144 42.059 -1.058 0.000 1.256 295 L HN 0.398 nan 8.230 nan 0.000 0.444 296 N N 4.907 123.648 118.700 0.068 0.000 2.420 296 N HA 0.219 4.959 4.740 -0.000 0.000 0.249 296 N C -1.746 173.837 175.510 0.122 0.000 1.033 296 N CA -0.044 53.075 53.050 0.116 0.000 0.944 296 N CB 0.484 39.023 38.487 0.087 0.000 1.113 296 N HN 0.516 nan 8.380 nan 0.000 0.502 297 F N 5.651 125.553 119.950 -0.081 0.000 2.581 297 F HA 0.472 4.999 4.527 -0.000 0.000 0.311 297 F C -2.270 173.359 175.800 -0.284 0.000 1.113 297 F CA -1.981 55.836 58.000 -0.305 0.000 0.935 297 F CB 2.294 40.888 39.000 -0.676 0.000 1.232 297 F HN 0.321 nan 8.300 nan 0.000 0.445 298 P HA 0.093 nan 4.420 nan 0.000 0.256 298 P C -0.688 176.395 177.300 -0.362 0.000 1.688 298 P CA 0.354 63.183 63.100 -0.451 0.000 1.162 298 P CB -0.706 30.727 31.700 -0.445 0.000 1.870 299 F N 0.889 120.876 119.950 0.060 0.000 2.506 299 F HA -0.058 4.469 4.527 -0.000 0.000 0.351 299 F C 2.230 178.048 175.800 0.029 0.000 1.136 299 F CA -0.106 57.983 58.000 0.148 0.000 1.298 299 F CB 0.375 39.396 39.000 0.035 0.000 1.145 299 F HN -0.013 nan 8.300 nan 0.000 0.593 300 V N 1.284 121.305 119.914 0.179 0.000 2.490 300 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 300 V C 0.936 177.093 176.094 0.105 0.000 1.061 300 V CA 1.531 63.842 62.300 0.018 0.000 1.064 300 V CB -0.933 30.848 31.823 -0.070 0.000 0.670 300 V HN 0.949 nan 8.190 nan 0.000 0.461 301 N N 0.590 119.411 118.700 0.203 0.000 2.740 301 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 301 N C -0.046 175.537 175.510 0.122 0.000 1.062 301 N CA 1.000 54.166 53.050 0.194 0.000 0.704 301 N CB -1.301 37.291 38.487 0.176 0.000 0.968 301 N HN 0.709 nan 8.380 nan 0.000 0.547 302 D N 0.640 121.116 120.400 0.126 0.000 2.424 302 D HA 0.006 4.646 4.640 -0.000 0.000 0.244 302 D C 1.042 177.350 176.300 0.014 0.000 1.134 302 D CA 0.143 54.190 54.000 0.079 0.000 0.881 302 D CB 0.650 41.547 40.800 0.160 0.000 1.191 302 D HN 0.296 nan 8.370 nan 0.000 0.445 303 E N 2.028 122.204 120.200 -0.039 0.000 2.160 303 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 303 E C 0.654 177.179 176.600 -0.126 0.000 0.991 303 E CA 1.097 57.459 56.400 -0.064 0.000 0.810 303 E CB 0.340 30.007 29.700 -0.055 0.000 0.742 303 E HN 0.518 nan 8.360 nan 0.000 0.466 304 D N -0.892 119.324 120.400 -0.307 0.000 2.324 304 D HA -0.010 4.630 4.640 -0.000 0.000 0.212 304 D C 1.082 177.118 176.300 -0.441 0.000 0.984 304 D CA 0.589 54.313 54.000 -0.459 0.000 0.885 304 D CB 0.165 40.508 40.800 -0.762 0.000 0.996 304 D HN 0.151 nan 8.370 nan 0.000 0.505 305 F N 0.838 120.834 119.950 0.077 0.000 2.695 305 F HA 0.389 4.916 4.527 -0.000 0.000 0.303 305 F C 2.045 177.971 175.800 0.209 0.000 1.091 305 F CA -0.643 57.453 58.000 0.160 0.000 1.300 305 F CB -0.491 38.618 39.000 0.180 0.000 1.071 305 F HN -0.156 nan 8.300 nan 0.000 0.578 306 A N 0.608 123.577 122.820 0.250 0.000 2.125 306 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 306 A C 2.336 180.092 177.584 0.288 0.000 1.156 306 A CA 1.725 53.936 52.037 0.291 0.000 0.671 306 A CB -1.178 18.009 19.000 0.312 0.000 0.794 306 A HN 0.283 nan 8.150 nan 0.000 0.459 307 V N -3.827 116.151 119.914 0.107 0.000 2.469 307 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 307 V C 2.081 178.164 176.094 -0.018 0.000 1.064 307 V CA 1.974 64.258 62.300 -0.026 0.000 1.066 307 V CB -1.385 30.288 31.823 -0.250 0.000 0.667 307 V HN 0.385 nan 8.190 nan 0.000 0.461 308 F N 1.344 121.433 119.950 0.232 0.000 2.407 308 F HA 0.109 4.636 4.527 -0.000 0.000 0.299 308 F C 2.431 178.433 175.800 0.336 0.000 1.097 308 F CA 1.438 59.613 58.000 0.291 0.000 1.422 308 F CB -0.420 38.840 39.000 0.433 0.000 1.067 308 F HN 0.250 nan 8.300 nan 0.000 0.539 309 E N -1.110 119.325 120.200 0.392 0.000 2.057 309 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 309 E C 1.759 178.445 176.600 0.143 0.000 0.969 309 E CA 0.852 57.402 56.400 0.249 0.000 0.812 309 E CB -0.456 29.353 29.700 0.182 0.000 0.777 309 E HN 0.355 nan 8.360 nan 0.000 0.455 310 Y N 0.531 120.918 120.300 0.144 0.000 2.483 310 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 310 Y C 2.084 178.005 175.900 0.034 0.000 1.143 310 Y CA 0.471 58.580 58.100 0.015 0.000 1.289 310 Y CB -0.043 38.335 38.460 -0.136 0.000 0.983 310 Y HN 0.120 nan 8.280 nan 0.000 0.556 311 I N -0.553 120.130 120.570 0.188 0.000 2.876 311 I HA -0.127 4.043 4.170 -0.000 0.000 0.264 311 I C 1.870 178.081 176.117 0.157 0.000 1.204 311 I CA 0.832 62.196 61.300 0.106 0.000 1.485 311 I CB -0.359 37.655 38.000 0.025 0.000 1.103 311 I HN 0.120 nan 8.210 nan 0.000 0.446 312 I N 1.781 122.477 120.570 0.211 0.000 2.208 312 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 312 I C -0.355 175.852 176.117 0.149 0.000 1.097 312 I CA 1.320 62.738 61.300 0.198 0.000 1.363 312 I CB -1.829 36.264 38.000 0.155 0.000 1.051 312 I HN 0.214 nan 8.210 nan 0.000 0.413 313 P HA -0.125 nan 4.420 nan 0.000 0.218 313 P C 1.904 179.356 177.300 0.254 0.000 1.149 313 P CA 1.361 64.555 63.100 0.156 0.000 0.817 313 P CB -0.014 31.668 31.700 -0.031 0.000 0.785 314 L N -1.566 119.760 121.223 0.172 0.000 2.093 314 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 314 L C 1.687 178.615 176.870 0.095 0.000 1.085 314 L CA 1.065 55.983 54.840 0.131 0.000 0.755 314 L CB -0.857 41.238 42.059 0.060 0.000 0.904 314 L HN 0.094 nan 8.230 nan 0.000 0.435 318 C N 1.239 120.435 119.300 -0.174 0.000 2.425 318 C HA -0.019 4.441 4.460 -0.000 0.000 0.277 318 C C 2.825 177.501 174.990 -0.522 0.000 1.280 318 C CA 1.491 60.328 59.018 -0.301 0.000 1.744 318 C CB -0.724 26.836 27.740 -0.300 0.000 1.989 318 C HN 0.620 nan 8.230 nan 0.000 0.491 319 A N 0.534 122.994 122.820 -0.601 0.000 1.975 319 A HA 0.092 4.412 4.320 -0.000 0.000 0.215 319 A C 1.807 179.176 177.584 -0.358 0.000 1.170 319 A CA 1.515 53.151 52.037 -0.669 0.000 0.656 319 A CB -0.316 18.361 19.000 -0.537 0.000 0.821 319 A HN 0.647 nan 8.150 nan 0.000 0.449 320 I N -3.001 117.453 120.570 -0.193 0.000 3.708 320 I HA 0.324 4.494 4.170 -0.000 0.000 0.302 320 I C 0.600 176.651 176.117 -0.111 0.000 1.255 320 I CA 0.084 61.324 61.300 -0.101 0.000 1.362 320 I CB -0.305 37.699 38.000 0.007 0.000 1.100 320 I HN 0.050 nan 8.210 nan 0.000 0.434 321 L N 0.000 121.141 121.223 -0.137 0.000 2.949 321 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 321 L CA 0.000 54.766 54.840 -0.123 0.000 0.813 321 L CB 0.000 41.979 42.059 -0.134 0.000 0.961 321 L HN 0.000 nan 8.230 nan 0.000 0.502