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 3mtw_1_A DATA FIRST_RESID 27 DATA SEQUENCE AEIKAVSAAR LLDVASGKYV DNPLVIVTDG RITSIGKKGD AVPAGATAVD DATA SEQUENCE LPGVTLLPGL IDMHVHLDSL AEVGGYNSLE YSDRFWSVVQ TANAKKTLEA DATA SEQUENCE GFTTVRNVGA ADYDDVGLRE AIDAGYVPGP RIVTAAISFG ATGGHcDSTF DATA SEQUENCE FPPSMDQKNP FNSDSPDEAR KAVRTLKKYG AQVIXIcATG GVFSRGNEPG DATA SEQUENCE QQQLTYEEMK AVVDEAHMAG IKVAAHAHGA SGIREAVRAG VDTIEHASLV DATA SEQUENCE DDEGIKLAVQ KGAYFSMDIY NTDYTQAEGK KNGVLEDNLR KDRDIGELQR DATA SEQUENCE ENFRKALKAG VKMVYGTDAG IYPHGDNAKQ FAVMVRYGAT PLQAIQSATL DATA SEQUENCE TAAEALGRSK DVGQVAVGRY GDMIAVAGDP LADVTTLEKP VFVMKGGAVV DATA SEQUENCE KAP 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.589 177.584 0.008 0.000 1.274 27 A CA 0.000 52.041 52.037 0.007 0.000 0.836 27 A CB 0.000 19.005 19.000 0.008 0.000 0.831 28 E N 0.840 121.046 120.200 0.010 0.000 2.115 28 E HA 0.653 5.003 4.350 -0.000 0.000 0.282 28 E C -1.189 175.421 176.600 0.017 0.000 0.987 28 E CA 0.033 56.440 56.400 0.012 0.000 0.797 28 E CB 0.298 30.004 29.700 0.011 0.000 1.086 28 E HN 0.459 nan 8.360 nan 0.000 0.397 29 I N 4.959 125.539 120.570 0.016 0.000 2.466 29 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 29 I C -0.292 175.838 176.117 0.022 0.000 1.026 29 I CA -1.120 60.191 61.300 0.019 0.000 1.078 29 I CB 1.581 39.589 38.000 0.013 0.000 1.249 29 I HN 0.206 nan 8.210 nan 0.000 0.429 30 K N 4.763 125.180 120.400 0.029 0.000 2.259 30 K HA 0.777 5.097 4.320 -0.000 0.000 0.252 30 K C -0.859 175.757 176.600 0.026 0.000 0.936 30 K CA -0.727 55.580 56.287 0.034 0.000 0.810 30 K CB 2.575 35.110 32.500 0.057 0.000 1.143 30 K HN 0.668 nan 8.250 nan 0.000 0.427 31 A N 2.444 125.272 122.820 0.013 0.000 2.293 31 A HA 0.475 4.795 4.320 -0.000 0.000 0.312 31 A C -0.602 176.971 177.584 -0.018 0.000 1.309 31 A CA -0.709 51.328 52.037 -0.000 0.000 0.839 31 A CB 0.444 19.440 19.000 -0.007 0.000 1.155 31 A HN 0.332 nan 8.150 nan 0.000 0.501 32 V N 3.195 123.096 119.914 -0.022 0.000 2.370 32 V HA 0.548 4.668 4.120 -0.000 0.000 0.279 32 V C 0.526 176.566 176.094 -0.090 0.000 1.029 32 V CA -0.153 62.103 62.300 -0.073 0.000 0.870 32 V CB 1.089 32.879 31.823 -0.055 0.000 0.984 32 V HN 0.981 nan 8.190 nan 0.000 0.451 33 S N 3.970 119.598 115.700 -0.121 0.000 2.578 33 S HA 0.983 5.453 4.470 -0.000 0.000 0.301 33 S C -0.380 174.134 174.600 -0.143 0.000 1.091 33 S CA -0.103 58.034 58.200 -0.106 0.000 1.032 33 S CB 2.366 65.519 63.200 -0.079 0.000 1.064 33 S HN 1.375 nan 8.310 nan 0.000 0.508 34 A N 0.893 123.645 122.820 -0.114 0.000 2.568 34 A HA 0.899 5.219 4.320 -0.000 0.000 0.291 34 A C 0.724 178.252 177.584 -0.094 0.000 1.159 34 A CA -0.409 51.555 52.037 -0.122 0.000 0.679 34 A CB 0.187 19.108 19.000 -0.132 0.000 1.285 34 A HN 1.589 nan 8.150 nan 0.000 0.428 35 A N -0.482 122.278 122.820 -0.100 0.000 1.929 35 A HA 0.323 4.643 4.320 -0.000 0.000 0.216 35 A C 1.123 178.642 177.584 -0.108 0.000 1.176 35 A CA 1.309 53.287 52.037 -0.099 0.000 0.628 35 A CB -0.095 18.840 19.000 -0.110 0.000 0.816 35 A HN 0.650 nan 8.150 nan 0.000 0.444 36 R N -2.391 118.037 120.500 -0.120 0.000 2.710 36 R HA 0.582 4.922 4.340 -0.000 0.000 0.270 36 R C -2.114 174.154 176.300 -0.052 0.000 1.021 36 R CA -0.756 55.271 56.100 -0.122 0.000 0.889 36 R CB 1.660 31.776 30.300 -0.306 0.000 1.243 36 R HN 0.244 nan 8.270 nan 0.000 0.464 37 L N 1.932 123.170 121.223 0.026 0.000 2.385 37 L HA 0.486 4.826 4.340 -0.000 0.000 0.273 37 L C -1.643 175.337 176.870 0.182 0.000 0.990 37 L CA -0.778 54.106 54.840 0.073 0.000 0.821 37 L CB 1.789 43.874 42.059 0.043 0.000 1.279 37 L HN 0.543 nan 8.230 nan 0.000 0.412 38 L N 4.482 125.817 121.223 0.187 0.000 2.278 38 L HA 0.402 4.742 4.340 -0.000 0.000 0.287 38 L C -0.417 176.476 176.870 0.038 0.000 1.072 38 L CA 0.263 55.192 54.840 0.148 0.000 0.819 38 L CB 0.493 42.618 42.059 0.109 0.000 1.176 38 L HN 0.706 nan 8.230 nan 0.000 0.435 39 D N 3.902 124.306 120.400 0.007 0.000 2.352 39 D HA 0.028 4.668 4.640 -0.000 0.000 0.245 39 D C 1.165 177.443 176.300 -0.037 0.000 1.224 39 D CA -0.017 53.976 54.000 -0.011 0.000 0.879 39 D CB 1.217 42.011 40.800 -0.009 0.000 1.057 39 D HN 0.486 nan 8.370 nan 0.000 0.491 40 V N 2.773 122.671 119.914 -0.027 0.000 2.970 40 V HA 0.004 4.123 4.120 -0.000 0.000 0.260 40 V C 2.003 178.084 176.094 -0.023 0.000 1.100 40 V CA 1.245 63.525 62.300 -0.034 0.000 1.122 40 V CB -0.734 31.075 31.823 -0.024 0.000 0.721 40 V HN 0.471 nan 8.190 nan 0.000 0.483 41 A N 1.922 124.733 122.820 -0.015 0.000 1.872 41 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 41 A C 2.514 180.087 177.584 -0.018 0.000 1.187 41 A CA 2.135 54.167 52.037 -0.009 0.000 0.614 41 A CB -0.810 18.188 19.000 -0.003 0.000 0.826 41 A HN 0.854 nan 8.150 nan 0.000 0.442 42 S N -2.282 113.402 115.700 -0.027 0.000 2.503 42 S HA 0.370 4.839 4.470 -0.000 0.000 0.217 42 S C 1.500 176.066 174.600 -0.056 0.000 0.999 42 S CA 1.160 59.340 58.200 -0.034 0.000 0.914 42 S CB -0.141 63.041 63.200 -0.029 0.000 0.782 42 S HN 1.945 nan 8.310 nan 0.000 0.520 43 G N 1.154 109.906 108.800 -0.079 0.000 2.148 43 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.254 43 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.254 43 G C -0.135 174.645 174.900 -0.200 0.000 0.981 43 G CA 0.436 45.458 45.100 -0.129 0.000 0.670 43 G HN 0.621 nan 8.290 nan 0.000 0.528 44 K N -0.577 119.730 120.400 -0.155 0.000 2.123 44 K HA 0.604 4.924 4.320 -0.000 0.000 0.259 44 K C -0.515 176.003 176.600 -0.137 0.000 0.960 44 K CA -0.971 55.224 56.287 -0.154 0.000 0.872 44 K CB 1.170 33.636 32.500 -0.056 0.000 1.079 44 K HN 0.070 nan 8.250 nan 0.000 0.440 45 Y N 0.571 120.862 120.300 -0.016 0.000 2.309 45 Y HA 0.181 4.731 4.550 -0.000 0.000 0.327 45 Y C 0.237 176.128 175.900 -0.016 0.000 1.172 45 Y CA -0.753 57.337 58.100 -0.018 0.000 1.280 45 Y CB 1.019 39.468 38.460 -0.019 0.000 1.234 45 Y HN 0.136 nan 8.280 nan 0.000 0.512 46 V N 4.408 124.425 119.914 0.172 0.000 2.417 46 V HA 0.231 4.351 4.120 -0.000 0.000 0.291 46 V C -0.345 175.777 176.094 0.046 0.000 1.024 46 V CA -1.117 61.231 62.300 0.080 0.000 0.861 46 V CB 1.371 33.224 31.823 0.050 0.000 0.985 46 V HN 0.642 nan 8.190 nan 0.000 0.436 47 D N 3.207 123.620 120.400 0.022 0.000 2.304 47 D HA 0.208 4.848 4.640 -0.000 0.000 0.247 47 D C 0.543 176.831 176.300 -0.019 0.000 1.089 47 D CA 0.085 54.078 54.000 -0.012 0.000 0.910 47 D CB 0.513 41.306 40.800 -0.013 0.000 1.199 47 D HN 0.709 nan 8.370 nan 0.000 0.426 48 N N 0.040 118.718 118.700 -0.037 0.000 2.714 48 N HA -0.139 4.601 4.740 -0.000 0.000 0.253 48 N C -2.512 172.980 175.510 -0.030 0.000 1.024 48 N CA -0.070 52.958 53.050 -0.037 0.000 0.726 48 N CB -0.725 37.743 38.487 -0.032 0.000 0.908 48 N HN 0.298 nan 8.380 nan 0.000 0.542 49 P HA 0.107 nan 4.420 nan 0.000 0.272 49 P C -0.577 176.705 177.300 -0.030 0.000 1.223 49 P CA -0.138 62.949 63.100 -0.021 0.000 0.784 49 P CB 1.076 32.767 31.700 -0.015 0.000 0.923 50 L N 3.783 124.993 121.223 -0.021 0.000 2.415 50 L HA 0.338 4.678 4.340 -0.000 0.000 0.268 50 L C -1.136 175.727 176.870 -0.011 0.000 0.984 50 L CA -0.635 54.191 54.840 -0.023 0.000 0.853 50 L CB 1.586 43.632 42.059 -0.021 0.000 1.215 50 L HN 0.021 nan 8.230 nan 0.000 0.419 51 V N 6.558 126.467 119.914 -0.008 0.000 2.347 51 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 51 V C 0.293 176.396 176.094 0.014 0.000 1.021 51 V CA -0.385 61.920 62.300 0.009 0.000 0.847 51 V CB 1.338 33.175 31.823 0.023 0.000 0.990 51 V HN 0.577 nan 8.190 nan 0.000 0.444 52 I N 5.332 125.911 120.570 0.014 0.000 2.331 52 I HA 0.427 4.596 4.170 -0.000 0.000 0.292 52 I C -0.455 175.677 176.117 0.026 0.000 0.998 52 I CA -0.567 60.743 61.300 0.017 0.000 1.267 52 I CB 1.750 39.756 38.000 0.009 0.000 1.386 52 I HN 0.279 nan 8.210 nan 0.000 0.476 53 V N 5.099 125.034 119.914 0.034 0.000 2.409 53 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 53 V C -0.073 176.043 176.094 0.036 0.000 1.020 53 V CA -0.419 61.907 62.300 0.043 0.000 0.848 53 V CB 1.717 33.577 31.823 0.061 0.000 0.990 53 V HN 0.721 nan 8.190 nan 0.000 0.430 54 T N 3.254 117.827 114.554 0.032 0.000 2.815 54 T HA 0.338 4.688 4.350 -0.000 0.000 0.289 54 T C -0.208 174.512 174.700 0.033 0.000 1.000 54 T CA -0.319 61.796 62.100 0.026 0.000 0.958 54 T CB 0.741 69.619 68.868 0.016 0.000 0.944 54 T HN 0.785 nan 8.240 nan 0.000 0.442 55 D N 2.584 123.003 120.400 0.033 0.000 2.701 55 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 55 D C 1.335 177.674 176.300 0.066 0.000 1.155 55 D CA 2.048 56.071 54.000 0.039 0.000 0.649 55 D CB -1.242 39.576 40.800 0.030 0.000 1.050 55 D HN 1.214 nan 8.370 nan 0.000 0.425 56 G N -1.150 107.696 108.800 0.076 0.000 2.195 56 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 56 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 56 G C 0.301 175.313 174.900 0.186 0.000 0.984 56 G CA 0.244 45.420 45.100 0.127 0.000 0.633 56 G HN 0.405 nan 8.290 nan 0.000 0.525 57 R N 0.062 120.625 120.500 0.105 0.000 2.514 57 R HA 0.567 4.907 4.340 -0.000 0.000 0.301 57 R C 0.444 176.765 176.300 0.034 0.000 0.962 57 R CA -0.968 55.162 56.100 0.051 0.000 0.882 57 R CB 1.189 31.476 30.300 -0.021 0.000 1.143 57 R HN 0.295 nan 8.270 nan 0.000 0.452 58 I N 2.429 123.015 120.570 0.026 0.000 2.587 58 I HA -0.080 4.090 4.170 -0.000 0.000 0.284 58 I C 1.583 177.702 176.117 0.004 0.000 1.134 58 I CA 0.611 61.923 61.300 0.021 0.000 1.410 58 I CB 0.684 38.697 38.000 0.022 0.000 1.392 58 I HN 0.707 nan 8.210 nan 0.000 0.545 59 T N 0.138 114.697 114.554 0.007 0.000 2.990 59 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 59 T C 0.514 175.214 174.700 0.000 0.000 1.041 59 T CA -0.261 61.840 62.100 0.000 0.000 1.010 59 T CB 0.437 69.306 68.868 0.002 0.000 1.003 59 T HN 0.494 nan 8.240 nan 0.000 0.499 60 S N -0.069 115.634 115.700 0.004 0.000 2.542 60 S HA 0.633 5.103 4.470 -0.000 0.000 0.276 60 S C -1.995 172.608 174.600 0.005 0.000 1.148 60 S CA -0.901 57.300 58.200 0.002 0.000 0.886 60 S CB 1.080 64.281 63.200 0.001 0.000 1.109 60 S HN 0.358 nan 8.310 nan 0.000 0.458 61 I N 4.247 124.819 120.570 0.003 0.000 2.502 61 I HA 0.479 4.649 4.170 -0.000 0.000 0.276 61 I C 0.800 176.918 176.117 0.001 0.000 1.057 61 I CA -0.394 60.909 61.300 0.004 0.000 1.163 61 I CB 1.070 39.074 38.000 0.007 0.000 1.288 61 I HN 0.711 nan 8.210 nan 0.000 0.479 62 G N 5.040 113.839 108.800 -0.002 0.000 3.039 62 G HA2 0.574 4.533 3.960 -0.000 0.000 0.159 62 G HA3 0.574 4.533 3.960 -0.000 0.000 0.159 62 G C -0.537 174.359 174.900 -0.007 0.000 1.284 62 G CA -0.381 44.717 45.100 -0.004 0.000 0.996 62 G HN 0.195 nan 8.290 nan 0.000 0.592 63 K N 0.384 120.778 120.400 -0.009 0.000 2.318 63 K HA 0.343 4.663 4.320 -0.000 0.000 0.249 63 K C -0.530 176.060 176.600 -0.017 0.000 0.942 63 K CA -0.841 55.438 56.287 -0.013 0.000 0.808 63 K CB 2.443 34.937 32.500 -0.011 0.000 1.189 63 K HN 0.501 nan 8.250 nan 0.000 0.428 64 K N 0.070 120.456 120.400 -0.023 0.000 2.524 64 K HA 0.026 4.346 4.320 -0.000 0.000 0.279 64 K C 0.783 177.370 176.600 -0.021 0.000 0.993 64 K CA 1.693 57.964 56.287 -0.026 0.000 1.030 64 K CB -0.008 32.472 32.500 -0.034 0.000 0.891 64 K HN 0.803 nan 8.250 nan 0.000 0.488 65 G N 2.841 111.629 108.800 -0.020 0.000 2.213 65 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.236 65 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.236 65 G C -0.238 174.654 174.900 -0.013 0.000 0.991 65 G CA 0.108 45.199 45.100 -0.016 0.000 0.629 65 G HN 0.698 nan 8.290 nan 0.000 0.517 66 D N 1.132 121.524 120.400 -0.013 0.000 2.360 66 D HA 0.581 5.221 4.640 -0.000 0.000 0.242 66 D C 1.077 177.372 176.300 -0.009 0.000 1.184 66 D CA 0.700 54.694 54.000 -0.010 0.000 0.930 66 D CB 0.775 41.570 40.800 -0.009 0.000 1.161 66 D HN 0.751 nan 8.370 nan 0.000 0.447 67 A N 0.257 123.073 122.820 -0.007 0.000 2.483 67 A HA 0.436 4.756 4.320 -0.000 0.000 0.238 67 A C 0.062 177.642 177.584 -0.006 0.000 1.070 67 A CA -0.306 51.727 52.037 -0.006 0.000 0.770 67 A CB 0.140 19.137 19.000 -0.005 0.000 1.008 67 A HN 0.399 nan 8.150 nan 0.000 0.497 68 V N -0.064 119.847 119.914 -0.005 0.000 2.914 68 V HA 0.812 4.932 4.120 -0.000 0.000 0.314 68 V C -2.393 173.700 176.094 -0.002 0.000 1.084 68 V CA -1.898 60.400 62.300 -0.004 0.000 0.963 68 V CB 1.226 33.047 31.823 -0.004 0.000 1.025 68 V HN 0.888 nan 8.190 nan 0.000 0.432 69 P HA 0.406 nan 4.420 nan 0.000 0.274 69 P C -0.057 177.243 177.300 0.000 0.000 1.246 69 P CA -0.054 63.046 63.100 -0.000 0.000 0.795 69 P CB 0.763 32.464 31.700 0.001 0.000 1.006 70 A N 0.450 123.270 122.820 -0.000 0.000 2.540 70 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 70 A C 1.411 178.996 177.584 0.001 0.000 1.061 70 A CA 0.753 52.790 52.037 -0.000 0.000 0.758 70 A CB -1.183 17.817 19.000 -0.000 0.000 0.991 70 A HN 1.015 nan 8.150 nan 0.000 0.502 71 G N 0.600 109.400 108.800 0.001 0.000 2.213 71 G HA2 0.149 4.109 3.960 -0.000 0.000 0.236 71 G HA3 0.149 4.109 3.960 -0.000 0.000 0.236 71 G C 0.649 175.551 174.900 0.004 0.000 0.991 71 G CA 0.391 45.492 45.100 0.002 0.000 0.629 71 G HN 2.271 nan 8.290 nan 0.000 0.517 72 A N 0.717 123.539 122.820 0.003 0.000 2.520 72 A HA 0.557 4.877 4.320 -0.000 0.000 0.245 72 A C 0.705 178.292 177.584 0.004 0.000 1.072 72 A CA 1.464 53.503 52.037 0.005 0.000 0.761 72 A CB 0.193 19.194 19.000 0.003 0.000 1.004 72 A HN 0.773 nan 8.150 nan 0.000 0.499 73 T N 2.669 117.228 114.554 0.008 0.000 2.743 73 T HA 0.498 4.848 4.350 -0.000 0.000 0.293 73 T C 0.501 175.205 174.700 0.006 0.000 0.945 73 T CA 0.396 62.501 62.100 0.008 0.000 1.030 73 T CB 0.979 69.855 68.868 0.014 0.000 0.912 73 T HN 0.979 nan 8.240 nan 0.000 0.483 74 A N 3.541 126.359 122.820 -0.002 0.000 2.409 74 A HA 0.554 4.874 4.320 -0.000 0.000 0.262 74 A C -0.106 177.468 177.584 -0.017 0.000 1.113 74 A CA -0.452 51.577 52.037 -0.013 0.000 0.790 74 A CB 0.224 19.213 19.000 -0.018 0.000 1.046 74 A HN 0.684 nan 8.150 nan 0.000 0.496 75 V N 4.605 124.498 119.914 -0.036 0.000 2.380 75 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 75 V C -1.000 175.016 176.094 -0.131 0.000 1.015 75 V CA -0.740 61.522 62.300 -0.065 0.000 0.834 75 V CB 1.365 33.161 31.823 -0.045 0.000 1.009 75 V HN 0.876 nan 8.190 nan 0.000 0.428 76 D N 5.486 125.816 120.400 -0.117 0.000 2.256 76 D HA 0.513 5.153 4.640 -0.000 0.000 0.240 76 D C -0.342 175.864 176.300 -0.156 0.000 1.062 76 D CA -0.168 53.756 54.000 -0.126 0.000 0.832 76 D CB 2.752 43.504 40.800 -0.080 0.000 1.135 76 D HN 0.358 nan 8.370 nan 0.000 0.484 77 L N 4.060 125.166 121.223 -0.193 0.000 2.502 77 L HA 0.268 4.608 4.340 -0.000 0.000 0.247 77 L C -2.282 174.509 176.870 -0.131 0.000 1.180 77 L CA -1.680 53.043 54.840 -0.195 0.000 0.956 77 L CB 1.107 42.975 42.059 -0.319 0.000 1.282 77 L HN 0.011 nan 8.230 nan 0.000 0.470 78 P HA 0.111 nan 4.420 nan 0.000 0.271 78 P C 0.968 178.225 177.300 -0.071 0.000 1.216 78 P CA 0.689 63.744 63.100 -0.076 0.000 0.771 78 P CB 1.447 33.112 31.700 -0.058 0.000 0.864 79 G N 1.168 109.924 108.800 -0.073 0.000 2.205 79 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.261 79 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.261 79 G C 0.062 174.914 174.900 -0.079 0.000 0.980 79 G CA 0.289 45.347 45.100 -0.070 0.000 0.632 79 G HN 0.756 nan 8.290 nan 0.000 0.533 80 V N -2.913 116.950 119.914 -0.085 0.000 3.166 80 V HA 0.967 5.087 4.120 -0.000 0.000 0.317 80 V C 0.098 176.133 176.094 -0.097 0.000 1.136 80 V CA -0.260 61.991 62.300 -0.081 0.000 1.035 80 V CB 1.901 33.691 31.823 -0.055 0.000 1.110 80 V HN 0.375 nan 8.190 nan 0.000 0.450 81 T N 2.908 117.412 114.554 -0.082 0.000 2.786 81 T HA 0.615 4.965 4.350 -0.000 0.000 0.283 81 T C -0.294 174.395 174.700 -0.017 0.000 0.992 81 T CA -0.243 61.808 62.100 -0.081 0.000 0.954 81 T CB 0.935 69.734 68.868 -0.115 0.000 0.934 81 T HN 0.628 nan 8.240 nan 0.000 0.440 82 L N 3.716 124.937 121.223 -0.003 0.000 2.397 82 L HA 0.496 4.836 4.340 -0.000 0.000 0.271 82 L C -0.504 176.393 176.870 0.046 0.000 1.148 82 L CA -0.532 54.332 54.840 0.040 0.000 0.825 82 L CB 0.489 42.569 42.059 0.034 0.000 1.117 82 L HN 0.368 nan 8.230 nan 0.000 0.456 83 L N 4.003 125.248 121.223 0.037 0.000 2.327 83 L HA 0.623 4.963 4.340 -0.000 0.000 0.258 83 L C -2.338 174.530 176.870 -0.003 0.000 1.024 83 L CA -1.637 53.204 54.840 0.001 0.000 0.825 83 L CB 2.036 44.065 42.059 -0.051 0.000 1.386 83 L HN 0.297 nan 8.230 nan 0.000 0.417 84 P HA 0.151 nan 4.420 nan 0.000 0.269 84 P C -0.354 176.911 177.300 -0.059 0.000 1.215 84 P CA -0.324 62.764 63.100 -0.019 0.000 0.780 84 P CB 0.333 32.023 31.700 -0.017 0.000 0.898 85 G N 2.186 110.955 108.800 -0.052 0.000 2.321 85 G HA2 0.142 4.102 3.960 -0.000 0.000 0.237 85 G HA3 0.142 4.102 3.960 -0.000 0.000 0.237 85 G C -0.190 174.629 174.900 -0.135 0.000 1.282 85 G CA -0.355 44.685 45.100 -0.099 0.000 0.886 85 G HN 0.387 nan 8.290 nan 0.000 0.528 86 L N 1.209 122.263 121.223 -0.282 0.000 2.439 86 L HA 0.487 4.827 4.340 -0.000 0.000 0.261 86 L C 0.362 177.159 176.870 -0.122 0.000 1.153 86 L CA -0.489 54.126 54.840 -0.376 0.000 0.808 86 L CB 1.079 42.534 42.059 -1.006 0.000 1.126 86 L HN 0.320 nan 8.230 nan 0.000 0.460 87 I N 0.994 121.631 120.570 0.111 0.000 2.466 87 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 87 I C -0.937 175.485 176.117 0.508 0.000 1.026 87 I CA -0.444 61.027 61.300 0.285 0.000 1.078 87 I CB 2.096 40.193 38.000 0.162 0.000 1.249 87 I HN 0.483 nan 8.210 nan 0.000 0.429 88 D N 7.074 127.766 120.400 0.486 0.000 2.381 88 D HA 0.300 4.940 4.640 -0.000 0.000 0.235 88 D C 0.489 176.886 176.300 0.161 0.000 1.068 88 D CA -0.437 53.764 54.000 0.334 0.000 0.832 88 D CB 1.440 42.297 40.800 0.094 0.000 1.101 88 D HN 0.355 nan 8.370 nan 0.000 0.515 89 M N 2.159 121.842 119.600 0.138 0.000 2.618 89 M HA -0.005 4.475 4.480 -0.000 0.000 0.240 89 M C 0.037 176.361 176.300 0.040 0.000 1.123 89 M CA 0.438 55.781 55.300 0.071 0.000 1.060 89 M CB -0.873 31.769 32.600 0.070 0.000 1.535 89 M HN 0.449 nan 8.290 nan 0.000 0.507 90 H N 0.102 119.122 119.070 -0.083 0.000 2.895 90 H HA 0.452 5.008 4.556 -0.000 0.000 0.282 90 H C -1.384 173.837 175.328 -0.179 0.000 1.338 90 H CA -0.644 55.315 56.048 -0.147 0.000 1.595 90 H CB 0.753 30.434 29.762 -0.135 0.000 1.771 90 H HN -0.028 nan 8.280 nan 0.000 0.573 91 V N 0.985 120.800 119.914 -0.166 0.000 3.040 91 V HA 0.564 4.684 4.120 -0.000 0.000 0.312 91 V C -0.814 175.057 176.094 -0.372 0.000 1.115 91 V CA -0.772 61.449 62.300 -0.133 0.000 0.998 91 V CB 2.492 34.294 31.823 -0.035 0.000 1.042 91 V HN 0.709 nan 8.190 nan 0.000 0.433 92 H N 3.568 122.695 119.070 0.095 0.000 2.675 92 H HA 0.448 5.004 4.556 -0.000 0.000 0.258 92 H C 0.449 175.840 175.328 0.105 0.000 1.271 92 H CA -0.279 55.801 56.048 0.054 0.000 1.462 92 H CB 1.614 31.388 29.762 0.020 0.000 1.467 92 H HN 0.616 nan 8.280 nan 0.000 0.501 93 L N 0.899 122.144 121.223 0.036 0.000 2.275 93 L HA -0.136 4.204 4.340 -0.000 0.000 0.215 93 L C 1.618 178.407 176.870 -0.135 0.000 1.119 93 L CA 1.156 55.876 54.840 -0.201 0.000 0.790 93 L CB 0.034 41.970 42.059 -0.204 0.000 0.919 93 L HN 0.448 nan 8.230 nan 0.000 0.443 94 D N -1.018 119.384 120.400 0.003 0.000 2.370 94 D HA 0.003 4.643 4.640 -0.000 0.000 0.230 94 D C 0.488 176.867 176.300 0.132 0.000 1.143 94 D CA -0.016 54.022 54.000 0.064 0.000 0.834 94 D CB -0.051 40.790 40.800 0.069 0.000 0.944 94 D HN 0.199 nan 8.370 nan 0.000 0.504 95 S N -0.655 115.127 115.700 0.137 0.000 2.638 95 S HA 0.743 5.212 4.470 -0.000 0.000 0.302 95 S C -0.581 174.165 174.600 0.244 0.000 1.096 95 S CA -0.983 57.273 58.200 0.093 0.000 0.953 95 S CB 1.895 65.053 63.200 -0.070 0.000 1.107 95 S HN 0.137 nan 8.310 nan 0.000 0.503 96 L N 1.657 123.013 121.223 0.222 0.000 2.381 96 L HA 0.614 4.954 4.340 -0.000 0.000 0.274 96 L C 1.221 178.121 176.870 0.049 0.000 0.988 96 L CA -0.960 53.987 54.840 0.177 0.000 0.824 96 L CB 1.909 44.118 42.059 0.249 0.000 1.263 96 L HN 0.985 nan 8.230 nan 0.000 0.410 97 A N 2.093 124.880 122.820 -0.054 0.000 1.908 97 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 97 A C 1.754 179.394 177.584 0.094 0.000 1.181 97 A CA 1.647 53.647 52.037 -0.062 0.000 0.627 97 A CB -0.269 18.591 19.000 -0.233 0.000 0.818 97 A HN 0.881 nan 8.150 nan 0.000 0.445 98 E N -0.664 119.607 120.200 0.119 0.000 2.427 98 E HA 0.045 4.395 4.350 -0.000 0.000 0.196 98 E C -0.481 176.197 176.600 0.129 0.000 1.028 98 E CA 0.197 56.685 56.400 0.146 0.000 0.864 98 E CB 0.126 29.910 29.700 0.140 0.000 0.813 98 E HN 0.335 nan 8.360 nan 0.000 0.514 99 V N 1.612 121.610 119.914 0.141 0.000 2.240 99 V HA 0.337 4.457 4.120 -0.000 0.000 0.265 99 V C 0.407 176.553 176.094 0.086 0.000 1.073 99 V CA -0.551 61.857 62.300 0.180 0.000 0.857 99 V CB 0.772 32.793 31.823 0.331 0.000 1.114 99 V HN 0.086 nan 8.190 nan 0.000 0.469 100 G N 1.910 110.725 108.800 0.025 0.000 2.509 100 G HA2 0.698 4.657 3.960 -0.000 0.000 0.328 100 G HA3 0.698 4.657 3.960 -0.000 0.000 0.328 100 G C 0.476 175.305 174.900 -0.118 0.000 1.194 100 G CA 0.106 45.159 45.100 -0.079 0.000 0.967 100 G HN 1.123 nan 8.290 nan 0.000 0.488 101 G N -0.355 108.284 108.800 -0.269 0.000 2.581 101 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.291 101 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.291 101 G C 0.749 175.445 174.900 -0.340 0.000 1.277 101 G CA 1.010 45.835 45.100 -0.459 0.000 0.959 101 G HN 0.778 nan 8.290 nan 0.000 0.554 102 Y N 1.696 121.910 120.300 -0.143 0.000 2.616 102 Y HA 0.001 4.551 4.550 -0.000 0.000 0.296 102 Y C 2.824 178.745 175.900 0.035 0.000 1.154 102 Y CA 1.093 59.163 58.100 -0.050 0.000 1.325 102 Y CB -0.213 38.227 38.460 -0.032 0.000 1.007 102 Y HN 0.369 nan 8.280 nan 0.000 0.542 103 N N -0.234 118.562 118.700 0.160 0.000 2.272 103 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 103 N C 2.006 177.688 175.510 0.286 0.000 1.014 103 N CA 1.573 54.729 53.050 0.176 0.000 0.870 103 N CB -0.455 38.126 38.487 0.155 0.000 0.975 103 N HN 0.455 nan 8.380 nan 0.000 0.433 104 S N 0.596 116.480 115.700 0.306 0.000 2.447 104 S HA -0.001 4.469 4.470 -0.000 0.000 0.233 104 S C 1.955 176.868 174.600 0.522 0.000 1.006 104 S CA 0.397 58.907 58.200 0.517 0.000 0.957 104 S CB -0.507 62.824 63.200 0.218 0.000 0.773 104 S HN 0.261 nan 8.310 nan 0.000 0.507 105 L N 0.928 122.346 121.223 0.325 0.000 2.376 105 L HA 0.047 4.387 4.340 -0.000 0.000 0.219 105 L C 2.575 179.540 176.870 0.159 0.000 1.133 105 L CA 1.007 56.003 54.840 0.259 0.000 0.816 105 L CB -0.530 41.675 42.059 0.243 0.000 0.933 105 L HN 0.404 nan 8.230 nan 0.000 0.449 106 E N -0.707 119.531 120.200 0.063 0.000 2.274 106 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 106 E C -0.177 176.230 176.600 -0.320 0.000 0.996 106 E CA 0.458 56.748 56.400 -0.185 0.000 0.840 106 E CB 0.114 29.593 29.700 -0.368 0.000 0.772 106 E HN 0.385 nan 8.360 nan 0.000 0.491 107 Y N 1.082 121.340 120.300 -0.071 0.000 2.335 107 Y HA 0.070 4.620 4.550 -0.000 0.000 0.323 107 Y C 1.098 176.991 175.900 -0.012 0.000 1.224 107 Y CA -0.957 57.003 58.100 -0.234 0.000 1.241 107 Y CB 0.902 38.978 38.460 -0.639 0.000 1.235 107 Y HN -0.153 nan 8.280 nan 0.000 0.492 108 S N 0.183 115.954 115.700 0.118 0.000 2.589 108 S HA 0.005 4.475 4.470 -0.000 0.000 0.265 108 S C 0.591 175.358 174.600 0.279 0.000 1.342 108 S CA -0.535 57.760 58.200 0.159 0.000 1.005 108 S CB 0.692 63.955 63.200 0.105 0.000 0.909 108 S HN 0.698 nan 8.310 nan 0.000 0.555 109 D N 0.878 121.437 120.400 0.266 0.000 2.144 109 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 109 D C 1.847 178.342 176.300 0.326 0.000 0.984 109 D CA 1.082 55.290 54.000 0.347 0.000 0.834 109 D CB -0.097 40.826 40.800 0.205 0.000 0.955 109 D HN 0.472 nan 8.370 nan 0.000 0.465 110 R N 0.096 120.710 120.500 0.191 0.000 2.275 110 R HA 0.000 4.340 4.340 -0.000 0.000 0.199 110 R C 2.013 178.354 176.300 0.069 0.000 0.989 110 R CA -0.186 55.986 56.100 0.121 0.000 1.016 110 R CB -0.773 29.571 30.300 0.074 0.000 0.918 110 R HN 0.263 nan 8.270 nan 0.000 0.473 111 F N 0.535 120.415 119.950 -0.117 0.000 2.091 111 F HA -0.267 4.260 4.527 -0.000 0.000 0.299 111 F C 1.541 177.108 175.800 -0.387 0.000 1.103 111 F CA 1.543 59.350 58.000 -0.321 0.000 1.228 111 F CB -0.373 38.321 39.000 -0.510 0.000 0.984 111 F HN -0.060 nan 8.300 nan 0.000 0.477 112 W N 0.300 121.560 121.300 -0.066 0.000 2.363 112 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 112 W C 2.701 179.102 176.519 -0.197 0.000 1.212 112 W CA 1.209 58.439 57.345 -0.192 0.000 1.260 112 W CB -1.124 28.324 29.460 -0.019 0.000 1.131 112 W HN -0.124 nan 8.180 nan 0.000 0.530 113 S N 0.341 116.085 115.700 0.073 0.000 2.419 113 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 113 S C 1.789 176.345 174.600 -0.073 0.000 1.016 113 S CA 1.375 59.585 58.200 0.017 0.000 0.974 113 S CB -0.533 62.690 63.200 0.039 0.000 0.786 113 S HN 0.091 nan 8.310 nan 0.000 0.492 114 V N 1.578 121.396 119.914 -0.161 0.000 2.426 114 V HA -0.054 4.066 4.120 -0.000 0.000 0.242 114 V C 2.456 178.387 176.094 -0.272 0.000 1.036 114 V CA 1.309 63.491 62.300 -0.195 0.000 1.044 114 V CB -0.625 31.085 31.823 -0.189 0.000 0.688 114 V HN 0.540 nan 8.190 nan 0.000 0.462 115 V N 0.700 120.331 119.914 -0.472 0.000 2.626 115 V HA -0.290 3.830 4.120 -0.000 0.000 0.252 115 V C 2.337 178.268 176.094 -0.271 0.000 1.067 115 V CA 2.133 64.157 62.300 -0.459 0.000 1.081 115 V CB -1.362 30.005 31.823 -0.760 0.000 0.686 115 V HN 0.785 nan 8.190 nan 0.000 0.468 116 Q N 0.943 120.619 119.800 -0.206 0.000 2.234 116 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 116 Q C 1.968 177.871 176.000 -0.162 0.000 0.980 116 Q CA 2.319 58.021 55.803 -0.169 0.000 0.869 116 Q CB -1.223 27.453 28.738 -0.103 0.000 0.912 116 Q HN 0.604 nan 8.270 nan 0.000 0.436 117 T N 1.244 115.715 114.554 -0.139 0.000 2.708 117 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 117 T C 2.051 176.686 174.700 -0.108 0.000 1.037 117 T CA 1.456 63.493 62.100 -0.105 0.000 1.146 117 T CB -0.397 68.419 68.868 -0.087 0.000 0.865 117 T HN 0.550 nan 8.240 nan 0.000 0.435 118 A N 2.402 125.146 122.820 -0.126 0.000 1.902 118 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 118 A C 2.266 179.780 177.584 -0.116 0.000 1.181 118 A CA 1.423 53.397 52.037 -0.104 0.000 0.623 118 A CB -0.585 18.352 19.000 -0.104 0.000 0.818 118 A HN 0.375 nan 8.150 nan 0.000 0.443 119 N N 0.540 119.129 118.700 -0.185 0.000 2.188 119 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 119 N C 1.876 177.246 175.510 -0.234 0.000 1.018 119 N CA 1.497 54.377 53.050 -0.284 0.000 0.858 119 N CB -0.606 37.506 38.487 -0.624 0.000 0.989 119 N HN 0.463 nan 8.380 nan 0.000 0.426 120 A N 1.340 124.048 122.820 -0.187 0.000 1.902 120 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 120 A C 2.201 179.746 177.584 -0.066 0.000 1.181 120 A CA 1.562 53.529 52.037 -0.116 0.000 0.623 120 A CB -0.482 18.462 19.000 -0.092 0.000 0.818 120 A HN 0.286 nan 8.150 nan 0.000 0.443 121 K N -0.106 120.257 120.400 -0.061 0.000 2.026 121 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 121 K C 2.014 178.604 176.600 -0.016 0.000 1.048 121 K CA 1.710 57.976 56.287 -0.035 0.000 0.929 121 K CB -0.178 32.301 32.500 -0.034 0.000 0.713 121 K HN 0.448 nan 8.250 nan 0.000 0.439 122 K N -0.332 120.057 120.400 -0.019 0.000 2.097 122 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 122 K C 2.069 178.693 176.600 0.039 0.000 1.049 122 K CA 1.840 58.134 56.287 0.011 0.000 0.933 122 K CB -0.085 32.424 32.500 0.014 0.000 0.717 122 K HN 0.198 nan 8.250 nan 0.000 0.442 123 T N 1.810 116.378 114.554 0.023 0.000 2.737 123 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 123 T C 1.726 176.507 174.700 0.136 0.000 1.038 123 T CA 0.924 63.063 62.100 0.064 0.000 1.144 123 T CB -0.187 68.691 68.868 0.017 0.000 0.866 123 T HN 0.083 nan 8.240 nan 0.000 0.434 124 L N 1.468 122.734 121.223 0.072 0.000 2.046 124 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 124 L C 2.201 179.099 176.870 0.046 0.000 1.077 124 L CA 1.805 56.678 54.840 0.056 0.000 0.747 124 L CB -0.571 41.489 42.059 0.003 0.000 0.896 124 L HN 0.248 nan 8.230 nan 0.000 0.432 125 E N -0.705 119.519 120.200 0.040 0.000 2.274 125 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 125 E C 1.923 178.560 176.600 0.062 0.000 0.996 125 E CA 0.718 57.134 56.400 0.027 0.000 0.840 125 E CB -0.169 29.543 29.700 0.020 0.000 0.772 125 E HN 0.629 nan 8.360 nan 0.000 0.491 126 A N 0.154 123.054 122.820 0.133 0.000 2.238 126 A HA 0.230 4.550 4.320 -0.000 0.000 0.208 126 A C 1.663 179.388 177.584 0.235 0.000 1.177 126 A CA 0.847 53.013 52.037 0.215 0.000 0.804 126 A CB -0.137 19.040 19.000 0.295 0.000 0.823 126 A HN 0.325 nan 8.150 nan 0.000 0.482 127 G N -2.285 106.588 108.800 0.121 0.000 2.163 127 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.213 127 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.213 127 G C -0.130 174.655 174.900 -0.192 0.000 0.991 127 G CA -0.119 44.941 45.100 -0.065 0.000 0.653 127 G HN 0.312 nan 8.290 nan 0.000 0.518 128 F N 2.498 122.465 119.950 0.029 0.000 2.334 128 F HA 0.453 4.980 4.527 -0.000 0.000 0.365 128 F C 1.797 177.603 175.800 0.010 0.000 1.124 128 F CA 0.416 58.442 58.000 0.043 0.000 1.166 128 F CB 1.356 40.403 39.000 0.078 0.000 1.355 128 F HN 0.102 nan 8.300 nan 0.000 0.532 129 T N -2.400 112.188 114.554 0.058 0.000 3.057 129 T HA 0.110 4.460 4.350 -0.000 0.000 0.254 129 T C 0.716 175.430 174.700 0.023 0.000 1.094 129 T CA 0.286 62.394 62.100 0.012 0.000 1.088 129 T CB 0.008 68.852 68.868 -0.040 0.000 0.934 129 T HN 0.342 nan 8.240 nan 0.000 0.497 130 T N 2.278 116.874 114.554 0.070 0.000 2.886 130 T HA 0.672 5.022 4.350 -0.000 0.000 0.292 130 T C -0.825 173.944 174.700 0.116 0.000 1.012 130 T CA -0.633 61.507 62.100 0.066 0.000 0.982 130 T CB 2.090 70.992 68.868 0.056 0.000 1.018 130 T HN 0.411 nan 8.240 nan 0.000 0.451 131 V N 1.066 121.025 119.914 0.074 0.000 3.078 131 V HA 0.782 4.902 4.120 -0.000 0.000 0.311 131 V C -0.892 175.212 176.094 0.017 0.000 1.138 131 V CA -1.442 60.899 62.300 0.069 0.000 1.007 131 V CB 2.250 34.103 31.823 0.051 0.000 1.045 131 V HN 0.834 nan 8.190 nan 0.000 0.432 132 R N 2.574 123.070 120.500 -0.007 0.000 2.288 132 R HA 0.404 4.744 4.340 -0.000 0.000 0.326 132 R C -0.646 175.582 176.300 -0.120 0.000 0.959 132 R CA -0.421 55.648 56.100 -0.051 0.000 0.834 132 R CB 0.912 31.183 30.300 -0.049 0.000 1.157 132 R HN 0.971 nan 8.270 nan 0.000 0.470 133 N N 4.076 122.705 118.700 -0.119 0.000 2.408 133 N HA 0.072 4.812 4.740 -0.000 0.000 0.257 133 N C -0.151 175.230 175.510 -0.214 0.000 1.064 133 N CA -0.019 52.928 53.050 -0.172 0.000 0.952 133 N CB 1.530 39.959 38.487 -0.097 0.000 1.093 133 N HN 0.467 nan 8.380 nan 0.000 0.490 134 V N 0.686 120.368 119.914 -0.388 0.000 2.852 134 V HA 0.656 4.776 4.120 -0.000 0.000 0.359 134 V C 0.410 176.422 176.094 -0.136 0.000 1.244 134 V CA -0.524 61.574 62.300 -0.335 0.000 1.371 134 V CB -0.116 31.373 31.823 -0.556 0.000 1.491 134 V HN 0.718 nan 8.190 nan 0.000 0.603 135 G N 0.026 108.807 108.800 -0.032 0.000 2.952 135 G HA2 0.597 4.556 3.960 -0.000 0.000 0.431 135 G HA3 0.597 4.556 3.960 -0.000 0.000 0.431 135 G C -0.727 174.244 174.900 0.118 0.000 1.325 135 G CA 0.080 45.225 45.100 0.074 0.000 1.146 135 G HN 1.609 nan 8.290 nan 0.000 0.581 136 A N 0.979 123.798 122.820 -0.002 0.000 2.569 136 A HA 1.113 5.433 4.320 -0.000 0.000 0.290 136 A C 0.237 177.772 177.584 -0.082 0.000 1.136 136 A CA 0.106 52.130 52.037 -0.022 0.000 0.710 136 A CB 1.370 20.362 19.000 -0.014 0.000 1.303 136 A HN 2.582 nan 8.150 nan 0.000 0.413 137 A N 0.304 123.078 122.820 -0.078 0.000 2.309 137 A HA 0.578 4.898 4.320 -0.000 0.000 0.298 137 A C -0.193 177.350 177.584 -0.068 0.000 1.165 137 A CA 0.184 52.171 52.037 -0.083 0.000 0.821 137 A CB -0.188 18.765 19.000 -0.078 0.000 1.102 137 A HN 1.101 nan 8.150 nan 0.000 0.500 138 D N 0.427 120.758 120.400 -0.115 0.000 2.837 138 D HA -0.249 4.391 4.640 -0.000 0.000 0.230 138 D C -0.334 175.999 176.300 0.053 0.000 1.152 138 D CA 2.112 56.085 54.000 -0.045 0.000 0.736 138 D CB -2.006 38.827 40.800 0.055 0.000 1.084 138 D HN 0.840 nan 8.370 nan 0.000 0.429 139 Y N -2.894 117.416 120.300 0.016 0.000 4.490 139 Y HA -0.312 4.238 4.550 -0.000 0.000 0.233 139 Y C 1.487 177.390 175.900 0.005 0.000 1.101 139 Y CA 0.685 58.790 58.100 0.007 0.000 2.010 139 Y CB -1.704 36.758 38.460 0.004 0.000 1.622 139 Y HN 0.126 nan 8.280 nan 0.000 0.675 140 D N 1.232 121.683 120.400 0.086 0.000 2.116 140 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 140 D C 1.873 178.200 176.300 0.046 0.000 0.998 140 D CA 1.953 55.990 54.000 0.060 0.000 0.836 140 D CB -0.354 40.472 40.800 0.042 0.000 0.951 140 D HN 0.741 nan 8.370 nan 0.000 0.449 141 D N 0.429 120.851 120.400 0.037 0.000 2.144 141 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 141 D C 2.155 178.479 176.300 0.041 0.000 0.978 141 D CA 0.554 54.566 54.000 0.020 0.000 0.833 141 D CB -0.691 40.110 40.800 0.001 0.000 0.961 141 D HN 0.150 nan 8.370 nan 0.000 0.470 142 V N 1.430 121.396 119.914 0.086 0.000 2.295 142 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 142 V C 2.827 178.953 176.094 0.054 0.000 1.049 142 V CA 2.112 64.465 62.300 0.088 0.000 1.024 142 V CB -1.186 30.725 31.823 0.146 0.000 0.648 142 V HN 0.430 nan 8.190 nan 0.000 0.447 143 G N -0.239 108.593 108.800 0.054 0.000 2.418 143 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 143 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 143 G C 1.579 176.485 174.900 0.010 0.000 1.158 143 G CA 1.135 46.249 45.100 0.024 0.000 0.771 143 G HN 0.429 nan 8.290 nan 0.000 0.545 144 L N 0.852 122.080 121.223 0.008 0.000 2.046 144 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 144 L C 2.784 179.655 176.870 0.002 0.000 1.077 144 L CA 2.333 57.169 54.840 -0.006 0.000 0.747 144 L CB -0.662 41.385 42.059 -0.021 0.000 0.896 144 L HN 0.311 nan 8.230 nan 0.000 0.432 145 R N -0.365 120.140 120.500 0.007 0.000 2.083 145 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 145 R C 2.127 178.439 176.300 0.020 0.000 1.137 145 R CA 2.083 58.188 56.100 0.009 0.000 0.951 145 R CB -0.386 29.922 30.300 0.014 0.000 0.851 145 R HN 0.532 nan 8.270 nan 0.000 0.434 146 E N -0.106 120.109 120.200 0.027 0.000 2.077 146 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 146 E C 2.003 178.643 176.600 0.067 0.000 0.989 146 E CA 1.201 57.624 56.400 0.038 0.000 0.800 146 E CB -0.118 29.598 29.700 0.027 0.000 0.746 146 E HN 0.545 nan 8.360 nan 0.000 0.452 147 A N 1.068 123.921 122.820 0.056 0.000 1.898 147 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 147 A C 2.154 179.822 177.584 0.139 0.000 1.181 147 A CA 0.986 53.090 52.037 0.111 0.000 0.620 147 A CB -0.498 18.526 19.000 0.039 0.000 0.819 147 A HN 0.121 nan 8.150 nan 0.000 0.442 148 I N -0.095 120.511 120.570 0.060 0.000 2.202 148 I HA -0.224 3.945 4.170 -0.000 0.000 0.242 148 I C 1.743 177.867 176.117 0.012 0.000 1.091 148 I CA 1.519 62.834 61.300 0.025 0.000 1.368 148 I CB -0.427 37.569 38.000 -0.007 0.000 1.058 148 I HN 0.212 nan 8.210 nan 0.000 0.410 149 D N 0.984 121.394 120.400 0.015 0.000 2.178 149 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 149 D C 2.017 178.322 176.300 0.010 0.000 0.974 149 D CA 1.304 55.303 54.000 -0.002 0.000 0.841 149 D CB -0.081 40.723 40.800 0.007 0.000 0.953 149 D HN 0.343 nan 8.370 nan 0.000 0.478 150 A N -0.646 122.209 122.820 0.058 0.000 2.218 150 A HA 0.443 4.763 4.320 -0.000 0.000 0.209 150 A C 1.771 179.286 177.584 -0.114 0.000 1.168 150 A CA 1.034 53.100 52.037 0.048 0.000 0.804 150 A CB -0.045 19.094 19.000 0.231 0.000 0.834 150 A HN 0.240 nan 8.150 nan 0.000 0.482 151 G N -2.399 106.352 108.800 -0.082 0.000 2.157 151 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.239 151 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.239 151 G C 0.593 175.374 174.900 -0.198 0.000 0.982 151 G CA 0.533 45.536 45.100 -0.161 0.000 0.650 151 G HN 0.457 nan 8.290 nan 0.000 0.527 152 Y N 0.074 120.362 120.300 -0.021 0.000 2.286 152 Y HA 0.326 4.876 4.550 -0.000 0.000 0.293 152 Y C 1.802 177.688 175.900 -0.024 0.000 1.124 152 Y CA 1.534 59.623 58.100 -0.020 0.000 1.178 152 Y CB 0.271 38.721 38.460 -0.018 0.000 1.010 152 Y HN 0.714 nan 8.280 nan 0.000 0.536 153 V N -2.808 117.175 119.914 0.115 0.000 2.925 153 V HA 0.614 4.734 4.120 -0.000 0.000 0.311 153 V C -2.967 173.133 176.094 0.010 0.000 1.104 153 V CA -2.737 59.591 62.300 0.047 0.000 0.954 153 V CB 2.163 34.007 31.823 0.034 0.000 1.022 153 V HN -0.227 nan 8.190 nan 0.000 0.427 154 P HA 0.727 nan 4.420 nan 0.000 0.282 154 P C -0.048 177.235 177.300 -0.028 0.000 1.249 154 P CA 0.335 63.421 63.100 -0.024 0.000 0.806 154 P CB 1.690 33.374 31.700 -0.027 0.000 0.984 155 G N 1.901 110.681 108.800 -0.034 0.000 2.349 155 G HA2 0.447 4.407 3.960 -0.000 0.000 0.294 155 G HA3 0.447 4.407 3.960 -0.000 0.000 0.294 155 G C -3.455 171.424 174.900 -0.035 0.000 1.380 155 G CA -0.914 44.166 45.100 -0.033 0.000 0.811 155 G HN 0.215 nan 8.290 nan 0.000 0.519 156 P HA 0.330 nan 4.420 nan 0.000 0.274 156 P C -0.404 176.874 177.300 -0.037 0.000 1.246 156 P CA -0.412 62.679 63.100 -0.014 0.000 0.795 156 P CB 0.422 32.137 31.700 0.025 0.000 1.006 157 R N 1.564 122.032 120.500 -0.052 0.000 2.404 157 R HA 0.251 4.590 4.340 -0.000 0.000 0.315 157 R C -0.110 176.179 176.300 -0.020 0.000 1.032 157 R CA 0.076 56.141 56.100 -0.058 0.000 0.992 157 R CB -0.574 29.672 30.300 -0.089 0.000 0.959 157 R HN 0.459 nan 8.270 nan 0.000 0.428 158 I N 3.365 123.925 120.570 -0.017 0.000 2.339 158 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 158 I C -0.007 176.107 176.117 -0.004 0.000 0.994 158 I CA -1.025 60.268 61.300 -0.011 0.000 1.191 158 I CB 1.844 39.834 38.000 -0.017 0.000 1.343 158 I HN 0.240 nan 8.210 nan 0.000 0.458 159 V N 5.297 125.209 119.914 -0.004 0.000 2.408 159 V HA 0.157 4.277 4.120 -0.000 0.000 0.267 159 V C 0.584 176.670 176.094 -0.013 0.000 1.047 159 V CA -0.353 61.946 62.300 -0.002 0.000 0.937 159 V CB 0.908 32.730 31.823 -0.001 0.000 0.999 159 V HN 0.833 nan 8.190 nan 0.000 0.472 160 T N 2.163 116.717 114.554 0.000 0.000 2.743 160 T HA 0.566 4.916 4.350 -0.000 0.000 0.292 160 T C 0.847 175.549 174.700 0.002 0.000 0.972 160 T CA -0.032 62.069 62.100 0.001 0.000 0.967 160 T CB 1.683 70.568 68.868 0.028 0.000 0.926 160 T HN 0.689 nan 8.240 nan 0.000 0.459 161 A N 3.034 125.840 122.820 -0.025 0.000 2.208 161 A HA 0.556 4.875 4.320 -0.000 0.000 0.209 161 A C 1.871 179.442 177.584 -0.022 0.000 1.161 161 A CA 0.756 52.778 52.037 -0.025 0.000 0.782 161 A CB -1.238 17.727 19.000 -0.060 0.000 0.816 161 A HN 2.006 nan 8.150 nan 0.000 0.477 162 A N -0.779 122.034 122.820 -0.012 0.000 5.295 162 A HA -0.269 4.051 4.320 -0.000 0.000 0.313 162 A C 0.275 177.759 177.584 -0.166 0.000 1.912 162 A CA 1.380 53.386 52.037 -0.052 0.000 0.714 162 A CB -1.861 17.160 19.000 0.035 0.000 1.319 162 A HN 0.719 nan 8.150 nan 0.000 0.375 163 I N 1.384 121.767 120.570 -0.312 0.000 2.331 163 I HA 0.439 4.608 4.170 -0.000 0.000 0.292 163 I C 0.894 176.923 176.117 -0.146 0.000 0.998 163 I CA 0.394 61.522 61.300 -0.288 0.000 1.267 163 I CB 1.647 39.378 38.000 -0.448 0.000 1.386 163 I HN 0.775 nan 8.210 nan 0.000 0.476 164 S N 6.515 122.191 115.700 -0.039 0.000 2.601 164 S HA 0.693 5.163 4.470 -0.000 0.000 0.271 164 S C -0.553 174.134 174.600 0.145 0.000 1.305 164 S CA -0.479 57.735 58.200 0.024 0.000 1.022 164 S CB 0.989 64.186 63.200 -0.004 0.000 0.940 164 S HN 0.524 nan 8.310 nan 0.000 0.525 165 F N -1.508 118.425 119.950 -0.028 0.000 2.662 165 F HA 0.943 5.470 4.527 -0.000 0.000 0.312 165 F C 0.023 175.846 175.800 0.038 0.000 1.113 165 F CA -0.491 57.525 58.000 0.026 0.000 0.951 165 F CB 1.121 40.171 39.000 0.083 0.000 1.344 165 F HN 0.955 nan 8.300 nan 0.000 0.462 166 G N 0.032 108.931 108.800 0.165 0.000 2.726 166 G HA2 0.632 4.592 3.960 -0.000 0.000 0.198 166 G HA3 0.632 4.592 3.960 -0.000 0.000 0.198 166 G C -1.523 173.481 174.900 0.174 0.000 1.195 166 G CA -0.376 44.763 45.100 0.066 0.000 0.951 166 G HN 1.126 nan 8.290 nan 0.000 0.532 167 A N -0.169 122.714 122.820 0.105 0.000 2.407 167 A HA 0.607 4.927 4.320 -0.000 0.000 0.248 167 A C 0.770 178.405 177.584 0.087 0.000 1.082 167 A CA 0.327 52.422 52.037 0.096 0.000 0.785 167 A CB -0.260 18.781 19.000 0.068 0.000 1.020 167 A HN 0.825 nan 8.150 nan 0.000 0.489 168 T N 1.256 115.856 114.554 0.076 0.000 2.933 168 T HA 0.365 4.715 4.350 -0.000 0.000 0.306 168 T C 1.563 176.289 174.700 0.043 0.000 1.045 168 T CA 1.820 63.955 62.100 0.057 0.000 1.143 168 T CB 0.192 69.087 68.868 0.045 0.000 1.003 168 T HN 2.052 nan 8.240 nan 0.000 0.540 169 G N 2.292 111.113 108.800 0.035 0.000 2.184 169 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.264 169 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.264 169 G C 0.541 175.448 174.900 0.012 0.000 0.975 169 G CA 0.184 45.294 45.100 0.017 0.000 0.642 169 G HN 1.130 nan 8.290 nan 0.000 0.536 170 G N -1.685 107.134 108.800 0.031 0.000 2.525 170 G HA2 0.465 4.424 3.960 -0.000 0.000 0.287 170 G HA3 0.465 4.424 3.960 -0.000 0.000 0.287 170 G C 0.554 175.478 174.900 0.041 0.000 1.350 170 G CA 0.547 45.674 45.100 0.045 0.000 1.039 170 G HN 0.588 nan 8.290 nan 0.000 0.513 171 H N -1.749 117.293 119.070 -0.047 0.000 2.456 171 H HA -0.074 4.482 4.556 -0.000 0.000 0.296 171 H C 1.960 177.234 175.328 -0.090 0.000 1.079 171 H CA 1.833 57.826 56.048 -0.091 0.000 1.322 171 H CB -0.079 29.568 29.762 -0.191 0.000 1.388 171 H HN 0.238 nan 8.280 nan 0.000 0.538 172 c N 0.780 119.314 118.600 -0.109 0.000 2.697 172 c HA 0.143 4.713 4.570 -0.000 0.000 0.267 172 c C 0.673 174.744 174.090 -0.031 0.000 1.278 172 c CA -0.307 55.957 56.329 -0.107 0.000 1.708 172 c CB -0.920 41.578 42.510 -0.019 0.000 1.860 172 c HN 0.555 nan 8.230 nan 0.000 0.589 173 D N 0.038 120.430 120.400 -0.015 0.000 2.387 173 D HA 0.172 4.812 4.640 -0.000 0.000 0.255 173 D C -0.083 176.233 176.300 0.027 0.000 1.081 173 D CA 0.194 54.211 54.000 0.029 0.000 0.994 173 D CB 1.186 42.010 40.800 0.041 0.000 1.127 173 D HN 0.064 nan 8.370 nan 0.000 0.513 174 S N -0.589 115.161 115.700 0.084 0.000 2.474 174 S HA 0.298 4.768 4.470 -0.000 0.000 0.276 174 S C 0.732 175.417 174.600 0.142 0.000 1.227 174 S CA -0.068 58.233 58.200 0.170 0.000 1.050 174 S CB -0.057 63.294 63.200 0.253 0.000 0.939 174 S HN 0.489 nan 8.310 nan 0.000 0.490 175 T N 2.073 116.665 114.554 0.062 0.000 3.091 175 T HA 0.322 4.672 4.350 -0.000 0.000 0.277 175 T C 0.367 174.859 174.700 -0.346 0.000 0.996 175 T CA -0.172 61.840 62.100 -0.146 0.000 0.897 175 T CB -0.389 68.306 68.868 -0.288 0.000 1.109 175 T HN 0.497 nan 8.240 nan 0.000 0.534 176 F N 1.316 121.115 119.950 -0.251 0.000 2.639 176 F HA 0.566 5.093 4.527 -0.000 0.000 0.302 176 F C -0.429 175.002 175.800 -0.614 0.000 1.097 176 F CA -1.361 56.351 58.000 -0.480 0.000 1.294 176 F CB 0.240 38.813 39.000 -0.711 0.000 1.027 176 F HN 0.112 nan 8.300 nan 0.000 0.550 177 F N 0.471 120.547 119.950 0.211 0.000 2.576 177 F HA 0.534 5.061 4.527 -0.000 0.000 0.313 177 F C -2.097 173.750 175.800 0.080 0.000 1.078 177 F CA -2.951 55.143 58.000 0.157 0.000 0.921 177 F CB 0.450 39.532 39.000 0.136 0.000 1.232 177 F HN -0.288 nan 8.300 nan 0.000 0.459 178 P HA 0.243 nan 4.420 nan 0.000 0.274 178 P C -2.392 174.978 177.300 0.117 0.000 1.246 178 P CA -1.314 61.867 63.100 0.134 0.000 0.795 178 P CB 0.713 32.473 31.700 0.101 0.000 1.006 179 P HA -0.146 nan 4.420 nan 0.000 0.220 179 P C 1.706 179.031 177.300 0.042 0.000 1.148 179 P CA 1.465 64.597 63.100 0.054 0.000 0.803 179 P CB -0.331 31.391 31.700 0.036 0.000 0.782 180 S N -0.886 114.838 115.700 0.040 0.000 2.400 180 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 180 S C 1.815 176.425 174.600 0.016 0.000 1.025 180 S CA 1.273 59.487 58.200 0.024 0.000 0.993 180 S CB -1.325 61.889 63.200 0.023 0.000 0.808 180 S HN 0.123 nan 8.310 nan 0.000 0.478 181 M N 0.925 120.541 119.600 0.027 0.000 2.558 181 M HA 0.135 4.614 4.480 -0.000 0.000 0.255 181 M C 0.474 176.758 176.300 -0.027 0.000 1.113 181 M CA 0.589 55.881 55.300 -0.014 0.000 1.097 181 M CB -0.529 32.053 32.600 -0.030 0.000 1.426 181 M HN 0.171 nan 8.290 nan 0.000 0.488 182 D N 2.320 122.725 120.400 0.009 0.000 2.697 182 D HA -0.141 4.499 4.640 -0.000 0.000 0.235 182 D C -0.680 175.617 176.300 -0.005 0.000 1.167 182 D CA 0.595 54.599 54.000 0.007 0.000 0.656 182 D CB -0.249 40.548 40.800 -0.005 0.000 1.025 182 D HN 0.227 nan 8.370 nan 0.000 0.419 183 Q N 1.124 120.932 119.800 0.013 0.000 2.296 183 Q HA 0.380 4.720 4.340 -0.000 0.000 0.257 183 Q C 0.441 176.476 176.000 0.059 0.000 0.942 183 Q CA 0.029 55.836 55.803 0.006 0.000 0.939 183 Q CB 1.346 30.078 28.738 -0.009 0.000 1.198 183 Q HN 0.574 nan 8.270 nan 0.000 0.429 184 K N 0.596 121.017 120.400 0.034 0.000 2.542 184 K HA 0.355 4.675 4.320 -0.000 0.000 0.259 184 K C -0.602 176.019 176.600 0.035 0.000 0.932 184 K CA -0.951 55.361 56.287 0.042 0.000 0.820 184 K CB 1.221 33.737 32.500 0.028 0.000 1.345 184 K HN 0.155 nan 8.250 nan 0.000 0.432 185 N N 3.492 122.227 118.700 0.057 0.000 2.452 185 N HA 0.054 4.794 4.740 -0.000 0.000 0.266 185 N C -1.508 174.029 175.510 0.045 0.000 1.209 185 N CA -1.792 51.306 53.050 0.080 0.000 0.929 185 N CB 0.725 39.286 38.487 0.123 0.000 1.063 185 N HN 0.448 nan 8.380 nan 0.000 0.472 186 P HA -0.100 nan 4.420 nan 0.000 0.225 186 P C 0.475 177.572 177.300 -0.340 0.000 1.148 186 P CA 1.150 64.132 63.100 -0.197 0.000 0.779 186 P CB -0.039 31.479 31.700 -0.304 0.000 0.780 187 F N -0.856 119.068 119.950 -0.042 0.000 2.732 187 F HA 0.150 4.677 4.527 -0.000 0.000 0.303 187 F C 0.965 176.739 175.800 -0.044 0.000 1.110 187 F CA -0.559 57.370 58.000 -0.117 0.000 1.355 187 F CB -0.887 38.005 39.000 -0.181 0.000 1.081 187 F HN -0.216 nan 8.300 nan 0.000 0.565 188 N N 1.261 120.047 118.700 0.144 0.000 2.219 188 N HA -0.067 4.673 4.740 -0.000 0.000 0.263 188 N C -0.305 175.276 175.510 0.118 0.000 1.269 188 N CA 0.514 53.654 53.050 0.149 0.000 0.831 188 N CB 0.439 38.975 38.487 0.083 0.000 1.059 188 N HN -0.046 nan 8.380 nan 0.000 0.475 189 S N 1.182 116.998 115.700 0.192 0.000 2.594 189 S HA 0.320 4.789 4.470 -0.000 0.000 0.296 189 S C -0.494 174.186 174.600 0.133 0.000 1.124 189 S CA -0.813 57.479 58.200 0.153 0.000 1.011 189 S CB 1.557 64.900 63.200 0.238 0.000 1.016 189 S HN 0.398 nan 8.310 nan 0.000 0.485 190 D N 1.796 122.245 120.400 0.082 0.000 2.599 190 D HA 0.215 4.854 4.640 -0.000 0.000 0.249 190 D C -0.087 176.245 176.300 0.053 0.000 1.313 190 D CA 0.113 54.152 54.000 0.065 0.000 0.815 190 D CB 0.715 41.544 40.800 0.049 0.000 1.077 190 D HN 0.550 nan 8.370 nan 0.000 0.492 191 S N -1.391 114.343 115.700 0.057 0.000 2.587 191 S HA 0.427 4.897 4.470 -0.000 0.000 0.269 191 S C -2.647 171.984 174.600 0.050 0.000 1.154 191 S CA -0.960 57.267 58.200 0.045 0.000 0.824 191 S CB 2.588 65.808 63.200 0.032 0.000 1.118 191 S HN -0.351 nan 8.310 nan 0.000 0.462 192 P HA -0.045 nan 4.420 nan 0.000 0.215 192 P C 0.636 177.957 177.300 0.034 0.000 1.153 192 P CA 1.305 64.424 63.100 0.031 0.000 0.853 192 P CB -0.040 31.668 31.700 0.013 0.000 0.788 193 D N -0.908 119.508 120.400 0.026 0.000 2.178 193 D HA -0.147 4.493 4.640 -0.000 0.000 0.202 193 D C 1.938 178.250 176.300 0.020 0.000 0.974 193 D CA 0.933 54.945 54.000 0.020 0.000 0.841 193 D CB -0.323 40.485 40.800 0.014 0.000 0.953 193 D HN 0.335 nan 8.370 nan 0.000 0.478 194 E N 0.571 120.785 120.200 0.023 0.000 2.106 194 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 194 E C 1.992 178.600 176.600 0.014 0.000 0.984 194 E CA 0.841 57.249 56.400 0.012 0.000 0.806 194 E CB 0.092 29.801 29.700 0.016 0.000 0.750 194 E HN 0.138 nan 8.360 nan 0.000 0.458 195 A N 1.385 124.249 122.820 0.073 0.000 1.933 195 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 195 A C 2.176 179.819 177.584 0.098 0.000 1.175 195 A CA 1.545 53.675 52.037 0.155 0.000 0.628 195 A CB -0.542 18.612 19.000 0.256 0.000 0.814 195 A HN 0.215 nan 8.150 nan 0.000 0.444 196 R N -0.104 120.434 120.500 0.063 0.000 2.081 196 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 196 R C 2.271 178.584 176.300 0.022 0.000 1.131 196 R CA 1.929 58.055 56.100 0.045 0.000 0.960 196 R CB -0.264 30.052 30.300 0.028 0.000 0.856 196 R HN 0.543 nan 8.270 nan 0.000 0.436 197 K N -0.130 120.273 120.400 0.005 0.000 2.057 197 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 197 K C 1.915 178.513 176.600 -0.004 0.000 1.049 197 K CA 1.381 57.666 56.287 -0.003 0.000 0.931 197 K CB -0.155 32.337 32.500 -0.013 0.000 0.714 197 K HN 0.261 nan 8.250 nan 0.000 0.440 198 A N 0.685 123.462 122.820 -0.072 0.000 1.908 198 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 198 A C 2.236 179.761 177.584 -0.098 0.000 1.181 198 A CA 1.756 53.710 52.037 -0.138 0.000 0.627 198 A CB -0.733 17.801 19.000 -0.777 0.000 0.818 198 A HN 0.176 nan 8.150 nan 0.000 0.445 199 V N -0.003 119.890 119.914 -0.035 0.000 2.287 199 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 199 V C 2.665 178.785 176.094 0.042 0.000 1.053 199 V CA 2.410 64.747 62.300 0.062 0.000 1.027 199 V CB -0.845 31.042 31.823 0.107 0.000 0.646 199 V HN 0.546 nan 8.190 nan 0.000 0.447 200 R N -0.393 120.126 120.500 0.031 0.000 2.081 200 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 200 R C 2.402 178.709 176.300 0.011 0.000 1.131 200 R CA 1.926 58.035 56.100 0.014 0.000 0.960 200 R CB -0.707 29.596 30.300 0.005 0.000 0.856 200 R HN 0.504 nan 8.270 nan 0.000 0.436 201 T N 1.448 116.047 114.554 0.075 0.000 2.777 201 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 201 T C 1.877 176.702 174.700 0.208 0.000 1.040 201 T CA 0.937 63.132 62.100 0.157 0.000 1.141 201 T CB -0.097 68.982 68.868 0.352 0.000 0.868 201 T HN 0.101 nan 8.240 nan 0.000 0.444 202 L N 0.741 122.059 121.223 0.159 0.000 2.046 202 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 202 L C 2.692 179.628 176.870 0.111 0.000 1.077 202 L CA 1.363 56.272 54.840 0.115 0.000 0.747 202 L CB -0.445 41.572 42.059 -0.071 0.000 0.896 202 L HN 0.195 nan 8.230 nan 0.000 0.432 203 K N 0.843 121.270 120.400 0.045 0.000 2.057 203 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 203 K C 2.234 178.808 176.600 -0.044 0.000 1.049 203 K CA 1.635 57.932 56.287 0.016 0.000 0.931 203 K CB -0.053 32.452 32.500 0.009 0.000 0.714 203 K HN 0.084 nan 8.250 nan 0.000 0.440 204 K N -0.478 119.839 120.400 -0.139 0.000 2.113 204 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 204 K C 0.627 176.977 176.600 -0.418 0.000 1.047 204 K CA 1.575 57.651 56.287 -0.351 0.000 0.928 204 K CB -0.042 32.105 32.500 -0.588 0.000 0.716 204 K HN 0.231 nan 8.250 nan 0.000 0.446 205 Y N -0.928 119.343 120.300 -0.049 0.000 2.681 205 Y HA 0.295 4.845 4.550 -0.000 0.000 0.267 205 Y C 0.964 176.785 175.900 -0.132 0.000 1.166 205 Y CA -0.059 57.916 58.100 -0.209 0.000 1.209 205 Y CB 1.246 39.382 38.460 -0.540 0.000 1.161 205 Y HN 0.308 nan 8.280 nan 0.000 0.534 206 G N -0.611 108.242 108.800 0.089 0.000 2.205 206 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.180 206 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.180 206 G C 0.296 175.257 174.900 0.101 0.000 1.004 206 G CA -0.401 44.752 45.100 0.088 0.000 0.670 206 G HN 0.530 nan 8.290 nan 0.000 0.496 207 A N 0.233 123.122 122.820 0.115 0.000 2.492 207 A HA 0.595 4.915 4.320 -0.000 0.000 0.254 207 A C 1.049 178.665 177.584 0.052 0.000 1.091 207 A CA 1.096 53.181 52.037 0.079 0.000 0.768 207 A CB 0.227 19.268 19.000 0.069 0.000 1.028 207 A HN 0.505 nan 8.150 nan 0.000 0.498 208 Q N 1.184 121.009 119.800 0.041 0.000 2.281 208 Q HA 0.344 4.684 4.340 -0.000 0.000 0.215 208 Q C -0.182 175.838 176.000 0.032 0.000 0.867 208 Q CA 0.220 56.043 55.803 0.034 0.000 0.940 208 Q CB 1.050 29.805 28.738 0.028 0.000 1.111 208 Q HN 0.569 nan 8.270 nan 0.000 0.513 209 V N 0.137 120.069 119.914 0.030 0.000 3.147 209 V HA 0.355 4.475 4.120 -0.000 0.000 0.299 209 V C -1.689 174.423 176.094 0.029 0.000 1.302 209 V CA -0.861 61.457 62.300 0.029 0.000 1.015 209 V CB 2.174 34.001 31.823 0.008 0.000 1.086 209 V HN -0.030 nan 8.190 nan 0.000 0.437 213 c N 3.597 122.114 118.600 -0.139 0.000 2.239 213 c HA 0.731 5.301 4.570 -0.000 0.000 0.323 213 c C 1.399 175.519 174.090 0.049 0.000 1.205 213 c CA 0.353 56.695 56.329 0.022 0.000 1.584 213 c CB 0.185 42.691 42.510 -0.006 0.000 2.201 213 c HN 0.896 nan 8.230 nan 0.000 0.475 214 A N 2.945 125.829 122.820 0.107 0.000 2.147 214 A HA 0.292 4.612 4.320 -0.000 0.000 0.211 214 A C 1.045 178.683 177.584 0.090 0.000 1.160 214 A CA 0.956 53.031 52.037 0.063 0.000 0.781 214 A CB 0.016 19.032 19.000 0.027 0.000 0.842 214 A HN 0.805 nan 8.150 nan 0.000 0.475 215 T N -4.825 109.832 114.554 0.172 0.000 2.812 215 T HA 0.603 4.953 4.350 -0.000 0.000 0.294 215 T C 0.541 175.358 174.700 0.196 0.000 1.159 215 T CA -0.114 62.069 62.100 0.139 0.000 1.008 215 T CB 0.968 69.885 68.868 0.081 0.000 1.289 215 T HN 0.596 nan 8.240 nan 0.000 0.514 216 G N -1.077 107.799 108.800 0.127 0.000 2.583 216 G HA2 0.566 4.526 3.960 -0.000 0.000 0.275 216 G HA3 0.566 4.526 3.960 -0.000 0.000 0.275 216 G C 0.297 175.266 174.900 0.113 0.000 1.342 216 G CA -0.155 45.008 45.100 0.105 0.000 1.030 216 G HN 1.274 nan 8.290 nan 0.000 0.520 217 G N -3.140 105.647 108.800 -0.022 0.000 2.706 217 G HA2 0.425 4.385 3.960 -0.000 0.000 0.307 217 G HA3 0.425 4.385 3.960 -0.000 0.000 0.307 217 G C 0.292 175.095 174.900 -0.163 0.000 1.307 217 G CA 0.389 45.395 45.100 -0.156 0.000 0.790 217 G HN 0.679 nan 8.290 nan 0.000 0.503 218 V N -0.606 119.171 119.914 -0.228 0.000 2.500 218 V HA 0.141 4.261 4.120 -0.000 0.000 0.243 218 V C 1.894 177.776 176.094 -0.353 0.000 1.039 218 V CA 1.384 63.428 62.300 -0.427 0.000 1.053 218 V CB -0.507 30.870 31.823 -0.743 0.000 0.695 218 V HN 0.478 nan 8.190 nan 0.000 0.463 219 F N 0.651 120.700 119.950 0.165 0.000 2.727 219 F HA 0.238 4.765 4.527 -0.000 0.000 0.302 219 F C 1.458 177.401 175.800 0.239 0.000 1.097 219 F CA -0.149 57.946 58.000 0.158 0.000 1.330 219 F CB -0.240 38.818 39.000 0.096 0.000 1.084 219 F HN 0.120 nan 8.300 nan 0.000 0.578 220 S N 0.245 116.150 115.700 0.343 0.000 2.693 220 S HA 0.553 5.023 4.470 -0.000 0.000 0.276 220 S C -0.152 174.387 174.600 -0.102 0.000 1.192 220 S CA -0.886 57.403 58.200 0.149 0.000 0.994 220 S CB 1.954 65.226 63.200 0.120 0.000 1.012 220 S HN 0.269 nan 8.310 nan 0.000 0.550 221 R N -0.885 119.300 120.500 -0.526 0.000 2.664 221 R HA 0.554 4.894 4.340 -0.000 0.000 0.286 221 R C 0.621 176.731 176.300 -0.316 0.000 0.967 221 R CA 0.315 56.080 56.100 -0.558 0.000 0.933 221 R CB 1.008 30.640 30.300 -1.112 0.000 1.146 221 R HN 1.347 nan 8.270 nan 0.000 0.468 222 G N 2.139 110.818 108.800 -0.202 0.000 2.132 222 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.228 222 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.228 222 G C -0.952 173.900 174.900 -0.079 0.000 1.000 222 G CA 0.374 45.397 45.100 -0.129 0.000 0.693 222 G HN 0.899 nan 8.290 nan 0.000 0.515 223 N N -1.668 116.990 118.700 -0.070 0.000 2.934 223 N HA 0.665 5.405 4.740 -0.000 0.000 0.253 223 N C -1.193 174.286 175.510 -0.051 0.000 1.466 223 N CA -1.042 51.984 53.050 -0.040 0.000 0.858 223 N CB 1.088 39.571 38.487 -0.008 0.000 1.459 223 N HN -0.027 nan 8.380 nan 0.000 0.532 224 E N -0.945 119.228 120.200 -0.046 0.000 2.263 224 E HA 0.388 4.738 4.350 -0.000 0.000 0.264 224 E C -1.939 174.621 176.600 -0.066 0.000 0.923 224 E CA -1.999 54.359 56.400 -0.070 0.000 0.802 224 E CB 1.628 31.289 29.700 -0.066 0.000 1.228 224 E HN 0.434 nan 8.360 nan 0.000 0.417 225 P HA -0.097 nan 4.420 nan 0.000 0.218 225 P C 1.130 178.412 177.300 -0.030 0.000 1.148 225 P CA 1.299 64.326 63.100 -0.122 0.000 0.822 225 P CB 0.249 31.733 31.700 -0.360 0.000 0.784 226 G N -1.041 107.732 108.800 -0.046 0.000 2.598 226 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 226 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 226 G C 0.537 175.434 174.900 -0.006 0.000 1.131 226 G CA 0.046 45.132 45.100 -0.023 0.000 0.785 226 G HN 0.329 nan 8.290 nan 0.000 0.539 227 Q N 0.677 120.476 119.800 -0.001 0.000 2.307 227 Q HA 0.222 4.562 4.340 -0.000 0.000 0.259 227 Q C 0.078 176.094 176.000 0.027 0.000 0.998 227 Q CA -0.256 55.552 55.803 0.009 0.000 0.923 227 Q CB 1.039 29.780 28.738 0.006 0.000 1.196 227 Q HN 0.401 nan 8.270 nan 0.000 0.416 228 Q N 2.045 121.860 119.800 0.026 0.000 2.337 228 Q HA -0.068 4.272 4.340 -0.000 0.000 0.270 228 Q C 0.103 176.128 176.000 0.041 0.000 1.002 228 Q CA 0.714 56.538 55.803 0.036 0.000 0.888 228 Q CB 0.633 29.391 28.738 0.033 0.000 1.222 228 Q HN 0.670 nan 8.270 nan 0.000 0.400 229 Q N 2.759 122.590 119.800 0.050 0.000 2.179 229 Q HA 0.299 4.639 4.340 -0.000 0.000 0.244 229 Q C -0.581 175.448 176.000 0.049 0.000 0.808 229 Q CA -0.002 55.831 55.803 0.051 0.000 0.955 229 Q CB 1.053 29.828 28.738 0.062 0.000 1.141 229 Q HN 0.546 nan 8.270 nan 0.000 0.485 230 L N 1.356 122.606 121.223 0.045 0.000 2.362 230 L HA 0.424 4.764 4.340 -0.000 0.000 0.271 230 L C 0.335 177.234 176.870 0.049 0.000 1.002 230 L CA -0.873 53.991 54.840 0.041 0.000 0.818 230 L CB 1.962 44.032 42.059 0.019 0.000 1.298 230 L HN 0.028 nan 8.230 nan 0.000 0.420 231 T N -2.124 112.463 114.554 0.054 0.000 2.813 231 T HA 0.018 4.368 4.350 -0.000 0.000 0.297 231 T C 1.000 175.755 174.700 0.092 0.000 1.036 231 T CA -0.058 62.090 62.100 0.079 0.000 1.044 231 T CB 0.695 69.609 68.868 0.077 0.000 0.993 231 T HN 0.531 nan 8.240 nan 0.000 0.535 232 Y N 1.274 121.584 120.300 0.016 0.000 2.114 232 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 232 Y C 2.433 178.342 175.900 0.016 0.000 1.165 232 Y CA 2.138 60.246 58.100 0.014 0.000 1.148 232 Y CB -0.327 38.141 38.460 0.013 0.000 0.972 232 Y HN 0.713 nan 8.280 nan 0.000 0.504 233 E N 0.439 120.630 120.200 -0.014 0.000 2.150 233 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 233 E C 2.044 178.579 176.600 -0.108 0.000 0.985 233 E CA 1.411 57.748 56.400 -0.105 0.000 0.814 233 E CB -0.182 29.538 29.700 0.034 0.000 0.752 233 E HN 0.711 nan 8.360 nan 0.000 0.466 234 E N 0.197 120.370 120.200 -0.045 0.000 2.077 234 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 234 E C 2.145 178.713 176.600 -0.053 0.000 0.989 234 E CA 1.012 57.403 56.400 -0.015 0.000 0.800 234 E CB -0.074 29.643 29.700 0.029 0.000 0.746 234 E HN 0.216 nan 8.360 nan 0.000 0.452 235 M N 0.447 119.984 119.600 -0.106 0.000 2.175 235 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 235 M C 2.393 178.575 176.300 -0.196 0.000 1.063 235 M CA 1.132 56.355 55.300 -0.128 0.000 1.119 235 M CB -0.125 32.411 32.600 -0.107 0.000 1.377 235 M HN -0.062 nan 8.290 nan 0.000 0.415 236 K N 0.803 121.002 120.400 -0.336 0.000 2.097 236 K HA -0.127 4.192 4.320 -0.000 0.000 0.206 236 K C 1.935 178.423 176.600 -0.186 0.000 1.049 236 K CA 1.452 57.530 56.287 -0.347 0.000 0.933 236 K CB -0.049 32.122 32.500 -0.549 0.000 0.717 236 K HN 0.260 nan 8.250 nan 0.000 0.442 237 A N 0.600 123.342 122.820 -0.129 0.000 1.902 237 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 237 A C 2.219 179.782 177.584 -0.035 0.000 1.181 237 A CA 1.541 53.543 52.037 -0.058 0.000 0.623 237 A CB -0.622 18.365 19.000 -0.021 0.000 0.818 237 A HN 0.166 nan 8.150 nan 0.000 0.443 238 V N -0.321 119.580 119.914 -0.022 0.000 2.287 238 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 238 V C 2.591 178.646 176.094 -0.066 0.000 1.053 238 V CA 2.127 64.436 62.300 0.015 0.000 1.027 238 V CB -0.832 31.006 31.823 0.027 0.000 0.646 238 V HN 0.378 nan 8.190 nan 0.000 0.447 239 V N 0.126 119.945 119.914 -0.158 0.000 2.295 239 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 239 V C 2.294 178.177 176.094 -0.353 0.000 1.049 239 V CA 2.234 64.328 62.300 -0.343 0.000 1.024 239 V CB -0.752 30.856 31.823 -0.358 0.000 0.648 239 V HN 0.544 nan 8.190 nan 0.000 0.447 240 D N -0.389 119.905 120.400 -0.176 0.000 2.123 240 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 240 D C 2.195 178.485 176.300 -0.017 0.000 0.992 240 D CA 1.578 55.534 54.000 -0.073 0.000 0.833 240 D CB -0.127 40.648 40.800 -0.042 0.000 0.954 240 D HN 0.503 nan 8.370 nan 0.000 0.455 241 E N 0.674 120.864 120.200 -0.016 0.000 2.046 241 E HA -0.031 4.319 4.350 -0.000 0.000 0.190 241 E C 1.920 178.547 176.600 0.045 0.000 0.982 241 E CA 1.358 57.770 56.400 0.021 0.000 0.800 241 E CB -0.377 29.339 29.700 0.027 0.000 0.756 241 E HN 0.126 nan 8.360 nan 0.000 0.449 242 A N 0.307 123.149 122.820 0.037 0.000 1.883 242 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 242 A C 2.020 179.720 177.584 0.193 0.000 1.186 242 A CA 2.045 54.138 52.037 0.093 0.000 0.624 242 A CB -1.087 17.962 19.000 0.081 0.000 0.822 242 A HN 0.390 nan 8.150 nan 0.000 0.444 243 H N -0.853 118.234 119.070 0.028 0.000 2.421 243 H HA 0.006 4.562 4.556 -0.000 0.000 0.298 243 H C 2.068 177.409 175.328 0.022 0.000 1.087 243 H CA 1.402 57.466 56.048 0.026 0.000 1.330 243 H CB -0.453 29.325 29.762 0.026 0.000 1.388 243 H HN 0.459 nan 8.280 nan 0.000 0.526 244 M N -0.484 119.202 119.600 0.142 0.000 2.149 244 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 244 M C 2.090 178.427 176.300 0.061 0.000 1.064 244 M CA 1.541 56.889 55.300 0.080 0.000 1.102 244 M CB -0.143 32.490 32.600 0.055 0.000 1.369 244 M HN 0.271 nan 8.290 nan 0.000 0.408 245 A N -0.621 122.240 122.820 0.067 0.000 2.251 245 A HA 0.375 4.694 4.320 -0.000 0.000 0.209 245 A C 1.521 179.133 177.584 0.045 0.000 1.187 245 A CA 0.726 52.791 52.037 0.048 0.000 0.823 245 A CB -0.651 18.375 19.000 0.044 0.000 0.846 245 A HN 0.650 nan 8.150 nan 0.000 0.486 246 G N -0.058 108.773 108.800 0.053 0.000 2.160 246 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 246 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 246 G C 0.207 175.127 174.900 0.033 0.000 1.008 246 G CA 0.561 45.675 45.100 0.024 0.000 0.724 246 G HN 1.368 nan 8.290 nan 0.000 0.514 247 I N -3.381 117.236 120.570 0.078 0.000 2.750 247 I HA 0.853 5.023 4.170 -0.000 0.000 0.308 247 I C 0.156 176.365 176.117 0.153 0.000 1.016 247 I CA -1.531 59.820 61.300 0.085 0.000 1.098 247 I CB 1.449 39.493 38.000 0.072 0.000 1.279 247 I HN -0.081 nan 8.210 nan 0.000 0.454 248 K N 2.520 122.993 120.400 0.121 0.000 2.132 248 K HA 0.725 5.045 4.320 -0.000 0.000 0.241 248 K C -1.187 175.497 176.600 0.140 0.000 1.000 248 K CA -0.909 55.483 56.287 0.175 0.000 0.911 248 K CB 2.188 34.753 32.500 0.108 0.000 1.093 248 K HN 0.448 nan 8.250 nan 0.000 0.460 249 V N 0.945 120.945 119.914 0.143 0.000 2.540 249 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 249 V C -0.816 175.305 176.094 0.046 0.000 1.035 249 V CA -0.962 61.372 62.300 0.056 0.000 0.873 249 V CB 1.495 33.319 31.823 0.002 0.000 0.992 249 V HN 0.880 nan 8.190 nan 0.000 0.428 250 A N 3.583 126.405 122.820 0.004 0.000 2.318 250 A HA 0.935 5.255 4.320 -0.000 0.000 0.324 250 A C -0.060 177.507 177.584 -0.027 0.000 1.170 250 A CA -0.363 51.672 52.037 -0.003 0.000 0.810 250 A CB 1.339 20.319 19.000 -0.033 0.000 1.198 250 A HN 1.376 nan 8.150 nan 0.000 0.484 251 A N 1.946 124.757 122.820 -0.015 0.000 2.304 251 A HA 0.573 4.893 4.320 -0.000 0.000 0.314 251 A C -0.311 177.273 177.584 -0.000 0.000 1.187 251 A CA -0.568 51.459 52.037 -0.017 0.000 0.810 251 A CB -0.020 18.966 19.000 -0.024 0.000 1.183 251 A HN 1.181 nan 8.150 nan 0.000 0.487 252 H N 2.231 121.274 119.070 -0.044 0.000 3.046 252 H HA 0.421 4.977 4.556 -0.000 0.000 0.303 252 H C -0.005 175.287 175.328 -0.061 0.000 1.002 252 H CA 1.112 57.158 56.048 -0.004 0.000 1.460 252 H CB 0.338 30.172 29.762 0.120 0.000 1.493 252 H HN 0.849 nan 8.280 nan 0.000 0.559 253 A N 5.908 128.455 122.820 -0.455 0.000 2.485 253 A HA 0.231 4.551 4.320 -0.000 0.000 0.285 253 A C -0.558 176.742 177.584 -0.473 0.000 1.045 253 A CA -0.748 51.076 52.037 -0.356 0.000 0.792 253 A CB 0.713 19.609 19.000 -0.174 0.000 1.307 253 A HN 0.951 nan 8.150 nan 0.000 0.406 254 H N 2.455 121.349 119.070 -0.294 0.000 2.361 254 H HA 0.124 4.679 4.556 -0.000 0.000 0.308 254 H C 1.711 176.948 175.328 -0.152 0.000 1.053 254 H CA 1.177 57.085 56.048 -0.233 0.000 1.377 254 H CB 0.101 29.709 29.762 -0.256 0.000 1.434 254 H HN 0.764 nan 8.280 nan 0.000 0.548 255 G N 0.213 109.025 108.800 0.020 0.000 2.414 255 G HA2 0.184 4.143 3.960 -0.000 0.000 0.236 255 G HA3 0.184 4.143 3.960 -0.000 0.000 0.236 255 G C 1.152 176.040 174.900 -0.020 0.000 1.293 255 G CA 0.387 45.485 45.100 -0.004 0.000 0.869 255 G HN 0.427 nan 8.290 nan 0.000 0.556 256 A N 1.790 124.602 122.820 -0.014 0.000 1.883 256 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 256 A C 2.762 180.347 177.584 0.000 0.000 1.186 256 A CA 2.756 54.788 52.037 -0.008 0.000 0.624 256 A CB -0.789 18.211 19.000 -0.000 0.000 0.822 256 A HN 1.359 nan 8.150 nan 0.000 0.444 257 S N -0.612 115.090 115.700 0.004 0.000 2.402 257 S HA 0.053 4.523 4.470 -0.000 0.000 0.229 257 S C 2.022 176.635 174.600 0.022 0.000 1.021 257 S CA 1.307 59.515 58.200 0.013 0.000 0.974 257 S CB -1.051 62.157 63.200 0.013 0.000 0.800 257 S HN 0.691 nan 8.310 nan 0.000 0.484 258 G N 1.880 110.689 108.800 0.014 0.000 2.408 258 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.217 258 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.217 258 G C 1.407 176.310 174.900 0.005 0.000 1.150 258 G CA 0.881 45.991 45.100 0.017 0.000 0.776 258 G HN 0.559 nan 8.290 nan 0.000 0.542 259 I N 0.198 120.755 120.570 -0.022 0.000 2.142 259 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 259 I C 3.059 179.195 176.117 0.032 0.000 1.078 259 I CA 1.048 62.327 61.300 -0.035 0.000 1.343 259 I CB -0.233 37.713 38.000 -0.090 0.000 1.046 259 I HN 0.078 nan 8.210 nan 0.000 0.405 260 R N 0.539 121.064 120.500 0.042 0.000 2.083 260 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 260 R C 2.191 178.538 176.300 0.078 0.000 1.137 260 R CA 1.341 57.477 56.100 0.060 0.000 0.951 260 R CB -0.359 29.964 30.300 0.038 0.000 0.851 260 R HN 0.395 nan 8.270 nan 0.000 0.434 261 E N 0.393 120.644 120.200 0.086 0.000 2.152 261 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 261 E C 1.972 178.685 176.600 0.189 0.000 0.983 261 E CA 0.987 57.483 56.400 0.160 0.000 0.818 261 E CB -0.087 29.712 29.700 0.164 0.000 0.758 261 E HN 0.326 nan 8.360 nan 0.000 0.467 262 A N 1.161 124.043 122.820 0.104 0.000 1.873 262 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 262 A C 2.605 180.244 177.584 0.091 0.000 1.186 262 A CA 1.290 53.369 52.037 0.070 0.000 0.616 262 A CB -0.684 18.334 19.000 0.030 0.000 0.823 262 A HN 0.118 nan 8.150 nan 0.000 0.442 263 V N 0.130 120.109 119.914 0.108 0.000 2.295 263 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 263 V C 2.661 178.829 176.094 0.124 0.000 1.049 263 V CA 2.329 64.702 62.300 0.122 0.000 1.024 263 V CB -0.806 31.100 31.823 0.138 0.000 0.648 263 V HN 0.665 nan 8.190 nan 0.000 0.447 264 R N 0.256 120.845 120.500 0.149 0.000 2.105 264 R HA -0.148 4.191 4.340 -0.000 0.000 0.239 264 R C 2.095 178.570 176.300 0.293 0.000 1.135 264 R CA 1.586 57.799 56.100 0.188 0.000 0.967 264 R CB -0.359 30.031 30.300 0.150 0.000 0.861 264 R HN 0.505 nan 8.270 nan 0.000 0.442 265 A N -0.520 122.462 122.820 0.271 0.000 2.168 265 A HA 0.134 4.453 4.320 -0.000 0.000 0.215 265 A C 1.384 178.972 177.584 0.006 0.000 1.152 265 A CA 1.016 53.087 52.037 0.056 0.000 0.716 265 A CB -0.174 18.734 19.000 -0.154 0.000 0.794 265 A HN 0.599 nan 8.150 nan 0.000 0.465 266 G N -1.820 107.018 108.800 0.064 0.000 2.144 266 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 266 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 266 G C 0.158 175.105 174.900 0.078 0.000 0.988 266 G CA -0.053 45.092 45.100 0.074 0.000 0.659 266 G HN 0.720 nan 8.290 nan 0.000 0.522 267 V N 1.383 121.328 119.914 0.052 0.000 2.694 267 V HA 0.087 4.207 4.120 -0.000 0.000 0.306 267 V C 1.531 177.710 176.094 0.141 0.000 1.054 267 V CA 1.045 63.383 62.300 0.063 0.000 1.161 267 V CB 0.963 32.810 31.823 0.041 0.000 0.916 267 V HN 0.397 nan 8.190 nan 0.000 0.490 268 D N 1.988 122.495 120.400 0.178 0.000 2.137 268 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 268 D C 0.916 177.383 176.300 0.279 0.000 0.970 268 D CA 1.504 55.646 54.000 0.237 0.000 0.837 268 D CB 0.337 41.279 40.800 0.238 0.000 0.981 268 D HN 0.738 nan 8.370 nan 0.000 0.475 269 T N -0.873 113.804 114.554 0.206 0.000 2.861 269 T HA 0.509 4.859 4.350 -0.000 0.000 0.287 269 T C -0.485 174.295 174.700 0.134 0.000 1.003 269 T CA -0.895 61.338 62.100 0.220 0.000 0.977 269 T CB 2.224 71.187 68.868 0.158 0.000 0.996 269 T HN -0.217 nan 8.240 nan 0.000 0.448 270 I N 3.058 123.715 120.570 0.145 0.000 2.312 270 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 270 I C 0.222 176.268 176.117 -0.118 0.000 1.008 270 I CA -0.812 60.469 61.300 -0.031 0.000 1.226 270 I CB 1.171 39.062 38.000 -0.182 0.000 1.371 270 I HN 0.718 nan 8.210 nan 0.000 0.468 271 E N 6.624 126.721 120.200 -0.172 0.000 2.283 271 E HA 0.264 4.614 4.350 -0.000 0.000 0.278 271 E C 0.493 176.778 176.600 -0.525 0.000 1.027 271 E CA -0.184 56.026 56.400 -0.316 0.000 0.843 271 E CB 0.974 30.523 29.700 -0.252 0.000 1.062 271 E HN 0.518 nan 8.360 nan 0.000 0.401 272 H N 1.836 120.747 119.070 -0.264 0.000 4.823 272 H HA -0.321 4.235 4.556 -0.000 0.000 0.064 272 H C 0.858 176.007 175.328 -0.298 0.000 0.599 272 H CA 1.682 57.531 56.048 -0.331 0.000 0.956 272 H CB -1.402 27.959 29.762 -0.668 0.000 0.432 272 H HN 0.731 nan 8.280 nan 0.000 0.798 273 A N 0.344 122.986 122.820 -0.298 0.000 2.799 273 A HA -0.263 4.057 4.320 -0.000 0.000 0.287 273 A C 1.806 179.267 177.584 -0.205 0.000 1.484 273 A CA 1.899 53.683 52.037 -0.422 0.000 0.813 273 A CB -2.027 16.438 19.000 -0.891 0.000 1.009 273 A HN 0.686 nan 8.150 nan 0.000 0.545 274 S N -1.000 114.660 115.700 -0.066 0.000 2.383 274 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 274 S C 1.204 175.798 174.600 -0.010 0.000 1.026 274 S CA 1.523 59.734 58.200 0.018 0.000 0.981 274 S CB -0.152 63.131 63.200 0.139 0.000 0.818 274 S HN 0.747 nan 8.310 nan 0.000 0.472 275 L N 1.656 122.866 121.223 -0.021 0.000 3.062 275 L HA 0.385 4.725 4.340 -0.000 0.000 0.255 275 L C 0.124 176.985 176.870 -0.015 0.000 1.274 275 L CA -0.413 54.415 54.840 -0.019 0.000 1.047 275 L CB 0.293 42.338 42.059 -0.024 0.000 1.402 275 L HN 0.053 nan 8.230 nan 0.000 0.550 276 V N 1.890 121.792 119.914 -0.020 0.000 2.788 276 V HA -0.054 4.065 4.120 -0.000 0.000 0.307 276 V C 0.092 176.212 176.094 0.042 0.000 1.069 276 V CA 0.183 62.491 62.300 0.013 0.000 1.173 276 V CB 0.811 32.671 31.823 0.062 0.000 0.925 276 V HN 0.590 nan 8.190 nan 0.000 0.492 277 D N 3.662 124.090 120.400 0.046 0.000 2.494 277 D HA 0.303 4.943 4.640 -0.000 0.000 0.259 277 D C 0.583 176.912 176.300 0.049 0.000 1.109 277 D CA -0.571 53.452 54.000 0.039 0.000 1.040 277 D CB 0.532 41.345 40.800 0.023 0.000 1.175 277 D HN 0.406 nan 8.370 nan 0.000 0.584 278 D N -0.499 119.920 120.400 0.032 0.000 2.123 278 D HA -0.196 4.443 4.640 -0.000 0.000 0.196 278 D C 1.476 177.792 176.300 0.026 0.000 0.992 278 D CA 1.296 55.311 54.000 0.025 0.000 0.833 278 D CB -0.041 40.767 40.800 0.013 0.000 0.954 278 D HN 0.726 nan 8.370 nan 0.000 0.455 279 E N 0.182 120.397 120.200 0.025 0.000 2.106 279 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 279 E C 2.123 178.746 176.600 0.039 0.000 0.984 279 E CA 1.151 57.564 56.400 0.022 0.000 0.806 279 E CB -0.181 29.527 29.700 0.014 0.000 0.750 279 E HN 0.255 nan 8.360 nan 0.000 0.458 280 G N 1.157 109.995 108.800 0.064 0.000 2.402 280 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 280 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 280 G C 1.582 176.573 174.900 0.153 0.000 1.162 280 G CA 0.688 45.856 45.100 0.113 0.000 0.777 280 G HN 0.227 nan 8.290 nan 0.000 0.539 281 I N 0.503 121.147 120.570 0.123 0.000 2.163 281 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 281 I C 2.717 178.815 176.117 -0.032 0.000 1.085 281 I CA 1.627 62.953 61.300 0.044 0.000 1.347 281 I CB -0.176 37.841 38.000 0.028 0.000 1.044 281 I HN 0.164 nan 8.210 nan 0.000 0.408 282 K N 1.346 121.740 120.400 -0.010 0.000 2.032 282 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 282 K C 2.206 178.791 176.600 -0.025 0.000 1.048 282 K CA 1.493 57.765 56.287 -0.025 0.000 0.927 282 K CB -0.133 32.360 32.500 -0.013 0.000 0.712 282 K HN 0.243 nan 8.250 nan 0.000 0.441 283 L N 0.493 121.717 121.223 0.002 0.000 2.046 283 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 283 L C 2.646 179.513 176.870 -0.005 0.000 1.077 283 L CA 1.283 56.129 54.840 0.010 0.000 0.747 283 L CB -0.517 41.565 42.059 0.038 0.000 0.896 283 L HN 0.333 nan 8.230 nan 0.000 0.432 284 A N -0.495 122.318 122.820 -0.013 0.000 1.902 284 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 284 A C 2.304 179.788 177.584 -0.167 0.000 1.181 284 A CA 1.761 53.748 52.037 -0.083 0.000 0.623 284 A CB -0.773 18.094 19.000 -0.221 0.000 0.818 284 A HN 0.206 nan 8.150 nan 0.000 0.443 285 V N 0.054 119.868 119.914 -0.167 0.000 2.295 285 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 285 V C 2.733 178.761 176.094 -0.110 0.000 1.049 285 V CA 2.305 64.511 62.300 -0.157 0.000 1.024 285 V CB -0.862 30.883 31.823 -0.131 0.000 0.648 285 V HN 0.787 nan 8.190 nan 0.000 0.447 286 Q N 0.161 119.917 119.800 -0.073 0.000 2.084 286 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 286 Q C 2.092 178.065 176.000 -0.044 0.000 0.978 286 Q CA 1.766 57.540 55.803 -0.048 0.000 0.844 286 Q CB -0.014 28.707 28.738 -0.028 0.000 0.898 286 Q HN 0.581 nan 8.270 nan 0.000 0.426 287 K N -1.269 119.106 120.400 -0.041 0.000 2.393 287 K HA 0.111 4.431 4.320 -0.000 0.000 0.193 287 K C 0.682 177.248 176.600 -0.056 0.000 1.026 287 K CA 0.513 56.786 56.287 -0.023 0.000 1.064 287 K CB 0.636 33.145 32.500 0.014 0.000 0.833 287 K HN 0.436 nan 8.250 nan 0.000 0.521 288 G N 1.749 110.478 108.800 -0.120 0.000 2.160 288 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 288 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 288 G C 0.129 174.844 174.900 -0.309 0.000 1.022 288 G CA 0.164 45.133 45.100 -0.219 0.000 0.741 288 G HN 0.439 nan 8.290 nan 0.000 0.508 289 A N -0.509 122.200 122.820 -0.186 0.000 2.425 289 A HA 0.679 4.999 4.320 -0.000 0.000 0.249 289 A C 0.055 177.529 177.584 -0.183 0.000 1.084 289 A CA -0.129 51.860 52.037 -0.079 0.000 0.781 289 A CB 0.371 19.427 19.000 0.094 0.000 1.019 289 A HN 0.647 nan 8.150 nan 0.000 0.490 290 Y N 0.741 121.107 120.300 0.109 0.000 2.334 290 Y HA 0.512 5.062 4.550 -0.000 0.000 0.328 290 Y C -0.137 175.977 175.900 0.358 0.000 1.130 290 Y CA -0.224 57.953 58.100 0.128 0.000 1.163 290 Y CB 1.012 39.542 38.460 0.117 0.000 1.207 290 Y HN 0.507 nan 8.280 nan 0.000 0.471 291 F N 0.879 120.942 119.950 0.187 0.000 2.421 291 F HA 0.370 4.897 4.527 -0.000 0.000 0.337 291 F C 0.298 176.185 175.800 0.145 0.000 1.105 291 F CA -1.685 56.392 58.000 0.128 0.000 1.049 291 F CB 1.919 40.977 39.000 0.097 0.000 1.139 291 F HN 0.258 nan 8.300 nan 0.000 0.479 292 S N 5.173 121.011 115.700 0.230 0.000 2.406 292 S HA 0.556 5.026 4.470 -0.000 0.000 0.224 292 S C -0.734 173.866 174.600 0.000 0.000 1.426 292 S CA -0.573 57.698 58.200 0.118 0.000 1.179 292 S CB -0.307 62.940 63.200 0.078 0.000 1.042 292 S HN 0.531 nan 8.310 nan 0.000 0.479 293 M N 4.217 123.849 119.600 0.052 0.000 2.066 293 M HA 0.291 4.771 4.480 -0.000 0.000 0.340 293 M C -0.526 175.698 176.300 -0.126 0.000 1.053 293 M CA -0.711 54.586 55.300 -0.004 0.000 0.983 293 M CB 1.132 33.828 32.600 0.161 0.000 1.520 293 M HN 0.504 nan 8.290 nan 0.000 0.428 294 D N 5.053 125.373 120.400 -0.133 0.000 2.551 294 D HA 0.080 4.720 4.640 -0.000 0.000 0.223 294 D C 0.905 177.127 176.300 -0.130 0.000 1.144 294 D CA -0.243 53.661 54.000 -0.160 0.000 1.025 294 D CB -0.207 40.522 40.800 -0.119 0.000 1.085 294 D HN 0.771 nan 8.370 nan 0.000 0.506 295 I N -2.526 117.928 120.570 -0.194 0.000 3.578 295 I HA 0.039 4.209 4.170 -0.000 0.000 0.295 295 I C 1.450 177.485 176.117 -0.136 0.000 1.280 295 I CA -0.264 60.919 61.300 -0.195 0.000 1.347 295 I CB -0.335 37.479 38.000 -0.310 0.000 1.051 295 I HN 0.076 nan 8.210 nan 0.000 0.460 296 Y N 3.972 124.125 120.300 -0.245 0.000 2.231 296 Y HA -0.099 4.451 4.550 -0.000 0.000 0.294 296 Y C 2.253 178.040 175.900 -0.188 0.000 1.120 296 Y CA 1.712 59.675 58.100 -0.228 0.000 1.141 296 Y CB -0.517 37.744 38.460 -0.331 0.000 1.022 296 Y HN 0.365 nan 8.280 nan 0.000 0.523 297 N N -0.837 117.582 118.700 -0.468 0.000 2.364 297 N HA -0.185 4.554 4.740 -0.000 0.000 0.183 297 N C 1.715 177.043 175.510 -0.302 0.000 1.022 297 N CA 1.575 54.325 53.050 -0.500 0.000 0.883 297 N CB -1.292 37.177 38.487 -0.029 0.000 0.965 297 N HN 0.375 nan 8.380 nan 0.000 0.438 298 T N -0.114 114.302 114.554 -0.231 0.000 2.778 298 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 298 T C 0.945 175.542 174.700 -0.171 0.000 1.050 298 T CA 1.755 63.768 62.100 -0.144 0.000 1.137 298 T CB -0.547 68.241 68.868 -0.133 0.000 0.860 298 T HN 0.195 nan 8.240 nan 0.000 0.468 299 D N -0.432 119.792 120.400 -0.293 0.000 2.104 299 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 299 D C 1.582 177.790 176.300 -0.154 0.000 0.994 299 D CA 1.317 55.182 54.000 -0.225 0.000 0.830 299 D CB -0.570 40.069 40.800 -0.269 0.000 0.959 299 D HN 0.582 nan 8.370 nan 0.000 0.452 300 Y N 1.404 121.514 120.300 -0.317 0.000 2.163 300 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 300 Y C 2.399 178.273 175.900 -0.042 0.000 1.136 300 Y CA 1.783 59.810 58.100 -0.121 0.000 1.147 300 Y CB -0.466 37.963 38.460 -0.051 0.000 0.987 300 Y HN -0.116 nan 8.280 nan 0.000 0.509 301 T N 0.640 115.206 114.554 0.020 0.000 2.720 301 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 301 T C 1.694 176.346 174.700 -0.080 0.000 1.037 301 T CA 1.650 63.765 62.100 0.026 0.000 1.144 301 T CB -0.185 68.794 68.868 0.185 0.000 0.864 301 T HN 0.338 nan 8.240 nan 0.000 0.444 302 Q N 0.418 120.165 119.800 -0.088 0.000 2.230 302 Q HA 0.160 4.500 4.340 -0.000 0.000 0.202 302 Q C 2.556 178.491 176.000 -0.109 0.000 0.963 302 Q CA 1.181 56.932 55.803 -0.086 0.000 0.866 302 Q CB -0.527 28.167 28.738 -0.074 0.000 0.931 302 Q HN 0.585 nan 8.270 nan 0.000 0.452 303 A N 0.743 123.469 122.820 -0.158 0.000 1.898 303 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 303 A C 1.678 179.135 177.584 -0.212 0.000 1.183 303 A CA 1.077 53.017 52.037 -0.161 0.000 0.622 303 A CB 0.158 19.071 19.000 -0.145 0.000 0.824 303 A HN 0.132 nan 8.150 nan 0.000 0.444 304 E N -1.159 118.817 120.200 -0.373 0.000 2.514 304 E HA 0.104 4.454 4.350 -0.000 0.000 0.215 304 E C 1.891 178.347 176.600 -0.241 0.000 0.946 304 E CA 0.643 56.817 56.400 -0.377 0.000 1.038 304 E CB -0.356 28.914 29.700 -0.718 0.000 1.069 304 E HN 0.455 nan 8.360 nan 0.000 0.503 305 G N 2.528 111.215 108.800 -0.189 0.000 2.476 305 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 305 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 305 G C 1.633 176.520 174.900 -0.022 0.000 1.164 305 G CA 1.379 46.450 45.100 -0.048 0.000 0.768 305 G HN 0.244 nan 8.290 nan 0.000 0.560 306 K N 0.640 121.021 120.400 -0.031 0.000 2.026 306 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 306 K C 2.496 179.088 176.600 -0.012 0.000 1.048 306 K CA 1.507 57.785 56.287 -0.015 0.000 0.929 306 K CB -0.200 32.288 32.500 -0.019 0.000 0.713 306 K HN 0.249 nan 8.250 nan 0.000 0.439 307 K N 0.217 120.603 120.400 -0.025 0.000 2.152 307 K HA -0.108 4.211 4.320 -0.000 0.000 0.206 307 K C 1.586 178.190 176.600 0.007 0.000 1.048 307 K CA 1.420 57.701 56.287 -0.011 0.000 0.933 307 K CB -0.125 32.363 32.500 -0.020 0.000 0.721 307 K HN 0.206 nan 8.250 nan 0.000 0.447 308 N N -0.590 118.111 118.700 0.003 0.000 2.467 308 N HA -0.006 4.734 4.740 -0.000 0.000 0.184 308 N C 0.957 176.481 175.510 0.023 0.000 1.106 308 N CA 1.062 54.130 53.050 0.029 0.000 0.892 308 N CB 1.087 39.600 38.487 0.044 0.000 0.969 308 N HN 0.426 nan 8.380 nan 0.000 0.454 309 G N -0.822 107.983 108.800 0.009 0.000 2.192 309 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.193 309 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.193 309 G C -0.146 174.731 174.900 -0.038 0.000 0.999 309 G CA -0.089 45.010 45.100 -0.003 0.000 0.659 309 G HN 0.137 nan 8.290 nan 0.000 0.503 310 V N 2.750 122.655 119.914 -0.015 0.000 2.585 310 V HA 0.346 4.466 4.120 -0.000 0.000 0.296 310 V C 1.478 177.578 176.094 0.011 0.000 1.035 310 V CA -0.080 62.225 62.300 0.009 0.000 1.084 310 V CB 1.057 32.951 31.823 0.118 0.000 0.953 310 V HN 0.359 nan 8.190 nan 0.000 0.483 311 L N 3.099 124.324 121.223 0.003 0.000 2.452 311 L HA 0.168 4.508 4.340 -0.000 0.000 0.267 311 L C 1.741 178.629 176.870 0.030 0.000 1.188 311 L CA -0.166 54.691 54.840 0.029 0.000 0.821 311 L CB 0.270 42.368 42.059 0.065 0.000 1.102 311 L HN 0.709 nan 8.230 nan 0.000 0.470 312 E N 1.374 121.586 120.200 0.021 0.000 2.118 312 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 312 E C 1.452 178.045 176.600 -0.013 0.000 0.992 312 E CA 1.942 58.343 56.400 0.001 0.000 0.804 312 E CB -0.030 29.670 29.700 0.000 0.000 0.741 312 E HN 0.719 nan 8.360 nan 0.000 0.458 313 D N -0.585 119.814 120.400 -0.001 0.000 2.144 313 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 313 D C 1.506 177.775 176.300 -0.052 0.000 0.984 313 D CA 1.498 55.484 54.000 -0.023 0.000 0.834 313 D CB -0.152 40.642 40.800 -0.010 0.000 0.955 313 D HN 0.203 nan 8.370 nan 0.000 0.465 314 N N -0.191 118.492 118.700 -0.029 0.000 2.250 314 N HA -0.054 4.686 4.740 -0.000 0.000 0.181 314 N C 2.046 177.445 175.510 -0.187 0.000 1.017 314 N CA 0.494 53.483 53.050 -0.101 0.000 0.866 314 N CB -0.109 38.389 38.487 0.019 0.000 0.985 314 N HN 0.320 nan 8.380 nan 0.000 0.429 315 L N 1.091 122.258 121.223 -0.092 0.000 2.083 315 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 315 L C 2.735 179.532 176.870 -0.121 0.000 1.083 315 L CA 0.899 55.683 54.840 -0.094 0.000 0.752 315 L CB -0.364 41.671 42.059 -0.041 0.000 0.899 315 L HN 0.125 nan 8.230 nan 0.000 0.433 316 R N 1.255 121.692 120.500 -0.105 0.000 2.073 316 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 316 R C 2.147 178.361 176.300 -0.144 0.000 1.134 316 R CA 1.660 57.698 56.100 -0.104 0.000 0.952 316 R CB -0.179 30.073 30.300 -0.080 0.000 0.850 316 R HN 0.349 nan 8.270 nan 0.000 0.433 317 K N 0.223 120.515 120.400 -0.180 0.000 2.147 317 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 317 K C 1.797 178.225 176.600 -0.287 0.000 1.049 317 K CA 1.687 57.836 56.287 -0.230 0.000 0.936 317 K CB -0.243 32.106 32.500 -0.252 0.000 0.722 317 K HN 0.239 nan 8.250 nan 0.000 0.446 318 D N 0.852 121.062 120.400 -0.316 0.000 2.117 318 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 318 D C 1.855 178.030 176.300 -0.207 0.000 0.987 318 D CA 1.198 55.013 54.000 -0.308 0.000 0.829 318 D CB 0.216 40.839 40.800 -0.294 0.000 0.961 318 D HN 0.057 nan 8.370 nan 0.000 0.460 319 R N -0.011 120.392 120.500 -0.162 0.000 2.115 319 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 319 R C 1.558 177.785 176.300 -0.122 0.000 1.111 319 R CA 1.291 57.318 56.100 -0.122 0.000 0.976 319 R CB -0.157 30.087 30.300 -0.094 0.000 0.870 319 R HN 0.284 nan 8.270 nan 0.000 0.445 320 D N 0.385 120.699 120.400 -0.142 0.000 2.178 320 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 320 D C 1.518 177.732 176.300 -0.145 0.000 0.980 320 D CA 1.143 55.063 54.000 -0.133 0.000 0.842 320 D CB 0.099 40.812 40.800 -0.145 0.000 0.948 320 D HN 0.116 nan 8.370 nan 0.000 0.472 321 I N -0.215 120.243 120.570 -0.187 0.000 3.526 321 I HA 0.123 4.293 4.170 -0.000 0.000 0.294 321 I C 2.247 178.275 176.117 -0.148 0.000 1.229 321 I CA 0.300 61.486 61.300 -0.192 0.000 1.408 321 I CB -0.246 37.569 38.000 -0.310 0.000 1.127 321 I HN -0.066 nan 8.210 nan 0.000 0.439 322 G N 0.414 109.126 108.800 -0.147 0.000 2.586 322 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 322 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 322 G C 1.580 176.401 174.900 -0.132 0.000 1.216 322 G CA 0.883 45.904 45.100 -0.133 0.000 0.786 322 G HN 0.285 nan 8.290 nan 0.000 0.583 323 E N 0.284 120.421 120.200 -0.104 0.000 2.072 323 E HA 0.030 4.380 4.350 -0.000 0.000 0.190 323 E C 2.802 179.342 176.600 -0.099 0.000 0.982 323 E CA 0.288 56.632 56.400 -0.094 0.000 0.803 323 E CB -0.367 29.312 29.700 -0.035 0.000 0.755 323 E HN 0.453 nan 8.360 nan 0.000 0.453 324 L N 0.838 122.016 121.223 -0.076 0.000 2.042 324 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 324 L C 2.829 179.665 176.870 -0.057 0.000 1.076 324 L CA 1.354 56.162 54.840 -0.054 0.000 0.749 324 L CB -0.391 41.638 42.059 -0.050 0.000 0.893 324 L HN 0.194 nan 8.230 nan 0.000 0.432 325 Q N 0.252 120.005 119.800 -0.078 0.000 2.084 325 Q HA -0.240 4.099 4.340 -0.000 0.000 0.202 325 Q C 2.358 178.313 176.000 -0.075 0.000 0.978 325 Q CA 1.624 57.394 55.803 -0.055 0.000 0.844 325 Q CB 0.074 28.776 28.738 -0.060 0.000 0.898 325 Q HN 0.411 nan 8.270 nan 0.000 0.426 326 R N 0.109 120.471 120.500 -0.231 0.000 2.081 326 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 326 R C 2.198 178.333 176.300 -0.276 0.000 1.131 326 R CA 1.799 57.599 56.100 -0.501 0.000 0.960 326 R CB -0.096 29.527 30.300 -1.127 0.000 0.856 326 R HN 0.388 nan 8.270 nan 0.000 0.436 327 E N 0.139 120.263 120.200 -0.126 0.000 2.110 327 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 327 E C 1.504 178.159 176.600 0.093 0.000 0.988 327 E CA 1.191 57.627 56.400 0.060 0.000 0.804 327 E CB -0.106 29.630 29.700 0.060 0.000 0.745 327 E HN 0.439 nan 8.360 nan 0.000 0.458 328 N N -0.175 118.567 118.700 0.071 0.000 2.354 328 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 328 N C 1.521 177.121 175.510 0.149 0.000 1.021 328 N CA 0.217 53.324 53.050 0.095 0.000 0.887 328 N CB -0.058 38.473 38.487 0.073 0.000 0.974 328 N HN 0.072 nan 8.380 nan 0.000 0.437 329 F N 2.405 122.379 119.950 0.039 0.000 2.102 329 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 329 F C 2.475 178.340 175.800 0.108 0.000 1.105 329 F CA 1.306 59.356 58.000 0.083 0.000 1.239 329 F CB -0.105 38.921 39.000 0.043 0.000 0.991 329 F HN -0.155 nan 8.300 nan 0.000 0.474 330 R N 0.793 121.402 120.500 0.182 0.000 2.083 330 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 330 R C 2.490 178.770 176.300 -0.032 0.000 1.137 330 R CA 2.068 58.226 56.100 0.097 0.000 0.951 330 R CB -0.475 29.979 30.300 0.256 0.000 0.851 330 R HN 0.355 nan 8.270 nan 0.000 0.434 331 K N -0.251 120.157 120.400 0.014 0.000 2.026 331 K HA -0.113 4.206 4.320 -0.000 0.000 0.208 331 K C 1.945 178.518 176.600 -0.045 0.000 1.048 331 K CA 1.472 57.759 56.287 -0.000 0.000 0.929 331 K CB -0.181 32.339 32.500 0.032 0.000 0.713 331 K HN 0.258 nan 8.250 nan 0.000 0.439 332 A N 1.257 124.048 122.820 -0.049 0.000 1.930 332 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 332 A C 2.046 179.509 177.584 -0.201 0.000 1.175 332 A CA 1.273 53.258 52.037 -0.086 0.000 0.627 332 A CB -0.585 18.443 19.000 0.047 0.000 0.815 332 A HN 0.401 nan 8.150 nan 0.000 0.443 333 L N 0.066 121.099 121.223 -0.317 0.000 2.017 333 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 333 L C 2.307 179.068 176.870 -0.181 0.000 1.073 333 L CA 2.691 57.330 54.840 -0.335 0.000 0.745 333 L CB -0.543 41.188 42.059 -0.547 0.000 0.894 333 L HN 0.445 nan 8.230 nan 0.000 0.432 334 K N -0.678 119.641 120.400 -0.134 0.000 2.103 334 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 334 K C 1.815 178.371 176.600 -0.073 0.000 1.048 334 K CA 1.302 57.544 56.287 -0.076 0.000 0.930 334 K CB -0.227 32.248 32.500 -0.043 0.000 0.716 334 K HN 0.465 nan 8.250 nan 0.000 0.444 335 A N -0.189 122.579 122.820 -0.086 0.000 2.167 335 A HA 0.143 4.463 4.320 -0.000 0.000 0.214 335 A C 1.377 178.900 177.584 -0.102 0.000 1.151 335 A CA 1.069 53.058 52.037 -0.081 0.000 0.735 335 A CB -0.302 18.653 19.000 -0.076 0.000 0.802 335 A HN 0.586 nan 8.150 nan 0.000 0.467 336 G N -1.956 106.771 108.800 -0.123 0.000 2.163 336 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.213 336 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.213 336 G C 0.129 174.924 174.900 -0.175 0.000 0.991 336 G CA -0.081 44.944 45.100 -0.125 0.000 0.653 336 G HN 0.711 nan 8.290 nan 0.000 0.518 337 V N 1.682 121.449 119.914 -0.246 0.000 2.599 337 V HA 0.157 4.277 4.120 -0.000 0.000 0.300 337 V C 1.148 177.087 176.094 -0.259 0.000 1.034 337 V CA 0.371 62.447 62.300 -0.372 0.000 1.115 337 V CB 0.912 32.341 31.823 -0.657 0.000 0.934 337 V HN 0.345 nan 8.190 nan 0.000 0.485 338 K N 5.809 126.066 120.400 -0.239 0.000 2.412 338 K HA 0.247 4.567 4.320 -0.000 0.000 0.284 338 K C -0.314 176.346 176.600 0.099 0.000 1.046 338 K CA -0.085 56.160 56.287 -0.070 0.000 0.999 338 K CB 0.285 32.681 32.500 -0.173 0.000 0.941 338 K HN 0.460 nan 8.250 nan 0.000 0.474 339 M N 3.571 123.271 119.600 0.167 0.000 2.238 339 M HA 0.221 4.701 4.480 -0.000 0.000 0.350 339 M C -0.096 176.389 176.300 0.308 0.000 1.138 339 M CA -0.881 54.579 55.300 0.267 0.000 1.040 339 M CB 1.149 33.921 32.600 0.287 0.000 1.639 339 M HN 0.408 nan 8.290 nan 0.000 0.451 340 V N 1.424 121.520 119.914 0.303 0.000 2.919 340 V HA 0.530 4.650 4.120 -0.000 0.000 0.316 340 V C -1.206 175.047 176.094 0.266 0.000 1.077 340 V CA -0.959 61.486 62.300 0.243 0.000 0.977 340 V CB 1.956 33.852 31.823 0.122 0.000 1.039 340 V HN 0.736 nan 8.190 nan 0.000 0.441 341 Y N 2.017 122.389 120.300 0.120 0.000 2.504 341 Y HA 0.687 5.237 4.550 -0.000 0.000 0.351 341 Y C 0.601 176.531 175.900 0.049 0.000 0.988 341 Y CA 0.272 58.413 58.100 0.069 0.000 1.239 341 Y CB 0.455 38.965 38.460 0.083 0.000 1.128 341 Y HN 1.083 nan 8.280 nan 0.000 0.525 342 G N 2.784 111.443 108.800 -0.235 0.000 2.723 342 G HA2 0.366 4.325 3.960 -0.000 0.000 0.295 342 G HA3 0.366 4.325 3.960 -0.000 0.000 0.295 342 G C 0.225 174.930 174.900 -0.325 0.000 1.464 342 G CA -0.248 44.753 45.100 -0.164 0.000 1.012 342 G HN 0.620 nan 8.290 nan 0.000 0.522 343 T N -1.054 113.346 114.554 -0.256 0.000 3.001 343 T HA 0.167 4.516 4.350 -0.000 0.000 0.251 343 T C 0.753 175.486 174.700 0.056 0.000 1.040 343 T CA 0.791 62.776 62.100 -0.191 0.000 0.985 343 T CB 0.172 68.954 68.868 -0.143 0.000 1.011 343 T HN 0.470 nan 8.240 nan 0.000 0.509 344 D N 1.459 121.879 120.400 0.033 0.000 2.746 344 D HA -0.121 4.518 4.640 -0.000 0.000 0.236 344 D C 0.286 176.679 176.300 0.154 0.000 1.129 344 D CA 0.699 54.807 54.000 0.180 0.000 0.691 344 D CB -1.576 39.294 40.800 0.116 0.000 1.077 344 D HN 0.938 nan 8.370 nan 0.000 0.432 345 A N -0.568 122.228 122.820 -0.039 0.000 2.565 345 A HA 0.456 4.776 4.320 -0.000 0.000 0.237 345 A C 1.882 179.128 177.584 -0.563 0.000 1.053 345 A CA 1.647 53.266 52.037 -0.696 0.000 0.755 345 A CB 0.177 18.872 19.000 -0.508 0.000 0.980 345 A HN 1.304 nan 8.150 nan 0.000 0.506 346 G N 1.007 109.214 108.800 -0.989 0.000 2.376 346 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.208 346 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.208 346 G C 0.836 175.525 174.900 -0.351 0.000 1.032 346 G CA 0.298 45.084 45.100 -0.523 0.000 0.641 346 G HN 0.606 nan 8.290 nan 0.000 0.503 347 I N 0.983 121.398 120.570 -0.259 0.000 2.353 347 I HA 0.206 4.376 4.170 -0.000 0.000 0.248 347 I C 1.496 177.553 176.117 -0.100 0.000 1.119 347 I CA 1.329 62.528 61.300 -0.168 0.000 1.417 347 I CB -1.235 36.774 38.000 0.015 0.000 1.078 347 I HN 0.562 nan 8.210 nan 0.000 0.421 348 Y N -0.315 119.796 120.300 -0.315 0.000 2.630 348 Y HA 0.712 5.262 4.550 -0.000 0.000 0.337 348 Y C -2.906 172.636 175.900 -0.598 0.000 1.051 348 Y CA -3.432 54.262 58.100 -0.676 0.000 1.121 348 Y CB -0.147 38.064 38.460 -0.414 0.000 1.299 348 Y HN -0.274 nan 8.280 nan 0.000 0.498 349 P HA 0.037 nan 4.420 nan 0.000 0.267 349 P C -0.771 176.218 177.300 -0.518 0.000 1.209 349 P CA 0.449 63.263 63.100 -0.478 0.000 0.763 349 P CB 0.190 31.771 31.700 -0.198 0.000 0.816 350 H N 2.335 121.198 119.070 -0.346 0.000 3.001 350 H HA 0.107 4.663 4.556 -0.000 0.000 0.334 350 H C 1.759 177.003 175.328 -0.140 0.000 1.034 350 H CA 2.006 57.891 56.048 -0.272 0.000 1.420 350 H CB 0.042 29.691 29.762 -0.189 0.000 1.405 350 H HN 0.824 nan 8.280 nan 0.000 0.593 351 G N 3.529 112.336 108.800 0.011 0.000 2.254 351 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.225 351 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.225 351 G C 0.678 175.621 174.900 0.071 0.000 1.003 351 G CA 0.162 45.290 45.100 0.048 0.000 0.622 351 G HN 0.543 nan 8.290 nan 0.000 0.507 352 D N 1.095 121.548 120.400 0.088 0.000 2.325 352 D HA 0.167 4.807 4.640 -0.000 0.000 0.234 352 D C 1.953 178.323 176.300 0.117 0.000 1.122 352 D CA -0.057 54.024 54.000 0.134 0.000 0.850 352 D CB -0.387 40.534 40.800 0.202 0.000 0.921 352 D HN 0.585 nan 8.370 nan 0.000 0.513 353 N N 0.613 119.335 118.700 0.036 0.000 2.272 353 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 353 N C 1.496 176.992 175.510 -0.023 0.000 1.014 353 N CA 0.752 53.705 53.050 -0.162 0.000 0.870 353 N CB 0.229 38.148 38.487 -0.946 0.000 0.975 353 N HN 0.145 nan 8.380 nan 0.000 0.433 354 A N 1.329 124.297 122.820 0.246 0.000 2.206 354 A HA -0.009 4.311 4.320 -0.000 0.000 0.211 354 A C 1.940 179.645 177.584 0.202 0.000 1.158 354 A CA 0.501 52.815 52.037 0.462 0.000 0.761 354 A CB -0.080 19.270 19.000 0.584 0.000 0.801 354 A HN 0.163 nan 8.150 nan 0.000 0.473 355 K N -0.448 119.870 120.400 -0.136 0.000 2.280 355 K HA -0.179 4.141 4.320 -0.000 0.000 0.202 355 K C 2.068 178.450 176.600 -0.362 0.000 1.047 355 K CA 1.383 57.448 56.287 -0.369 0.000 0.942 355 K CB -0.050 31.916 32.500 -0.890 0.000 0.739 355 K HN 0.693 nan 8.250 nan 0.000 0.457 356 Q N 0.031 119.632 119.800 -0.331 0.000 2.230 356 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 356 Q C 1.422 177.443 176.000 0.035 0.000 0.963 356 Q CA 0.924 56.608 55.803 -0.198 0.000 0.866 356 Q CB 0.042 28.547 28.738 -0.389 0.000 0.931 356 Q HN 0.166 nan 8.270 nan 0.000 0.452 357 F N 0.534 120.640 119.950 0.260 0.000 2.091 357 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 357 F C 2.419 178.287 175.800 0.113 0.000 1.103 357 F CA 1.365 59.484 58.000 0.197 0.000 1.228 357 F CB -0.921 38.126 39.000 0.077 0.000 0.984 357 F HN 0.200 nan 8.300 nan 0.000 0.477 358 A N -0.140 122.836 122.820 0.261 0.000 1.933 358 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 358 A C 2.349 180.020 177.584 0.145 0.000 1.175 358 A CA 1.939 54.076 52.037 0.166 0.000 0.628 358 A CB -1.224 17.847 19.000 0.119 0.000 0.814 358 A HN 0.207 nan 8.150 nan 0.000 0.444 359 V N -0.238 119.759 119.914 0.138 0.000 2.427 359 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 359 V C 2.583 178.773 176.094 0.161 0.000 1.051 359 V CA 2.137 64.535 62.300 0.163 0.000 1.048 359 V CB -0.800 31.104 31.823 0.135 0.000 0.666 359 V HN 0.570 nan 8.190 nan 0.000 0.456 360 M N -0.461 119.178 119.600 0.065 0.000 2.117 360 M HA -0.142 4.337 4.480 -0.000 0.000 0.262 360 M C 2.224 178.686 176.300 0.270 0.000 1.065 360 M CA 1.569 56.888 55.300 0.032 0.000 1.114 360 M CB -0.563 32.079 32.600 0.070 0.000 1.361 360 M HN 0.217 nan 8.290 nan 0.000 0.408 361 V N 0.245 120.290 119.914 0.219 0.000 2.343 361 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 361 V C 2.408 178.574 176.094 0.120 0.000 1.051 361 V CA 1.984 64.390 62.300 0.176 0.000 1.036 361 V CB -0.861 31.042 31.823 0.134 0.000 0.654 361 V HN 0.482 nan 8.190 nan 0.000 0.451 362 R N -0.609 119.934 120.500 0.072 0.000 2.105 362 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 362 R C 1.556 177.718 176.300 -0.230 0.000 1.135 362 R CA 1.839 57.880 56.100 -0.098 0.000 0.967 362 R CB -0.206 30.001 30.300 -0.155 0.000 0.861 362 R HN 0.567 nan 8.270 nan 0.000 0.442 363 Y N -0.831 119.563 120.300 0.157 0.000 2.645 363 Y HA 0.262 4.812 4.550 -0.000 0.000 0.307 363 Y C 1.191 177.281 175.900 0.317 0.000 1.151 363 Y CA 0.435 58.676 58.100 0.236 0.000 1.291 363 Y CB 1.093 39.715 38.460 0.269 0.000 1.135 363 Y HN 0.424 nan 8.280 nan 0.000 0.523 364 G N -0.809 108.161 108.800 0.284 0.000 2.380 364 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.197 364 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.197 364 G C 0.381 175.390 174.900 0.182 0.000 1.001 364 G CA -0.397 44.821 45.100 0.197 0.000 0.668 364 G HN 0.521 nan 8.290 nan 0.000 0.483 365 A N 1.196 124.188 122.820 0.286 0.000 2.407 365 A HA 0.683 5.003 4.320 -0.000 0.000 0.248 365 A C 1.036 178.714 177.584 0.157 0.000 1.082 365 A CA 1.126 53.305 52.037 0.237 0.000 0.785 365 A CB 0.126 19.344 19.000 0.363 0.000 1.020 365 A HN 1.718 nan 8.150 nan 0.000 0.489 366 T N 0.211 114.831 114.554 0.111 0.000 2.868 366 T HA 0.352 4.701 4.350 -0.000 0.000 0.292 366 T C -1.906 172.845 174.700 0.085 0.000 1.028 366 T CA -1.129 61.016 62.100 0.075 0.000 1.059 366 T CB 0.567 69.460 68.868 0.042 0.000 0.991 366 T HN 0.334 nan 8.240 nan 0.000 0.531 367 P HA -0.094 nan 4.420 nan 0.000 0.216 367 P C 1.708 179.011 177.300 0.005 0.000 1.153 367 P CA 0.404 63.521 63.100 0.029 0.000 0.858 367 P CB -0.075 31.624 31.700 -0.002 0.000 0.789 368 L N -0.165 121.053 121.223 -0.007 0.000 2.012 368 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 368 L C 2.264 179.148 176.870 0.023 0.000 1.073 368 L CA 1.949 56.776 54.840 -0.023 0.000 0.748 368 L CB -1.506 40.528 42.059 -0.040 0.000 0.891 368 L HN -0.035 nan 8.230 nan 0.000 0.431 369 Q N -0.800 119.037 119.800 0.062 0.000 2.084 369 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 369 Q C 2.255 178.360 176.000 0.175 0.000 0.978 369 Q CA 1.708 57.577 55.803 0.109 0.000 0.844 369 Q CB -0.376 28.434 28.738 0.119 0.000 0.898 369 Q HN 0.714 nan 8.270 nan 0.000 0.426 370 A N 0.818 123.762 122.820 0.206 0.000 1.902 370 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 370 A C 2.020 179.776 177.584 0.285 0.000 1.181 370 A CA 1.226 53.461 52.037 0.330 0.000 0.623 370 A CB -0.623 18.603 19.000 0.378 0.000 0.818 370 A HN 0.310 nan 8.150 nan 0.000 0.443 371 I N -0.634 119.969 120.570 0.056 0.000 2.226 371 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 371 I C 2.774 178.906 176.117 0.025 0.000 1.100 371 I CA 1.520 62.769 61.300 -0.085 0.000 1.374 371 I CB -0.466 37.428 38.000 -0.176 0.000 1.057 371 I HN 0.424 nan 8.210 nan 0.000 0.413 372 Q N 0.385 120.217 119.800 0.053 0.000 2.135 372 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 372 Q C 2.373 178.449 176.000 0.126 0.000 0.981 372 Q CA 2.092 57.938 55.803 0.071 0.000 0.856 372 Q CB -0.251 28.526 28.738 0.066 0.000 0.902 372 Q HN 0.626 nan 8.270 nan 0.000 0.425 373 S N -0.111 115.707 115.700 0.196 0.000 2.419 373 S HA -0.045 4.425 4.470 -0.000 0.000 0.233 373 S C 1.715 176.473 174.600 0.263 0.000 1.016 373 S CA 0.869 59.223 58.200 0.257 0.000 0.974 373 S CB 0.030 63.445 63.200 0.358 0.000 0.786 373 S HN 0.343 nan 8.310 nan 0.000 0.492 374 A N 0.651 123.603 122.820 0.220 0.000 2.430 374 A HA 0.483 4.803 4.320 -0.000 0.000 0.243 374 A C 1.555 179.198 177.584 0.098 0.000 1.254 374 A CA 0.518 52.664 52.037 0.181 0.000 0.914 374 A CB -0.152 18.873 19.000 0.043 0.000 0.998 374 A HN 0.710 nan 8.150 nan 0.000 0.515 375 T N -3.849 110.750 114.554 0.075 0.000 3.236 375 T HA 0.155 4.505 4.350 -0.000 0.000 0.146 375 T C 1.461 176.185 174.700 0.041 0.000 0.898 375 T CA 0.547 62.668 62.100 0.035 0.000 0.882 375 T CB -0.792 68.074 68.868 -0.004 0.000 1.609 375 T HN 0.100 nan 8.240 nan 0.000 0.316 376 L N 2.213 123.459 121.223 0.037 0.000 1.990 376 L HA -0.017 4.323 4.340 -0.000 0.000 0.213 376 L C 2.580 179.480 176.870 0.051 0.000 1.072 376 L CA 2.740 57.604 54.840 0.039 0.000 0.755 376 L CB -1.168 40.913 42.059 0.036 0.000 0.889 376 L HN 0.654 nan 8.230 nan 0.000 0.432 377 T N -0.450 114.149 114.554 0.074 0.000 2.857 377 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 377 T C 1.898 176.597 174.700 -0.001 0.000 1.048 377 T CA 1.011 63.166 62.100 0.092 0.000 1.139 377 T CB -0.522 68.441 68.868 0.158 0.000 0.874 377 T HN 0.501 nan 8.240 nan 0.000 0.455 378 A N 1.758 124.592 122.820 0.025 0.000 1.883 378 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 378 A C 2.668 180.222 177.584 -0.051 0.000 1.186 378 A CA 1.865 53.895 52.037 -0.012 0.000 0.624 378 A CB -1.186 17.861 19.000 0.078 0.000 0.822 378 A HN 0.505 nan 8.150 nan 0.000 0.444 379 A N -0.521 122.295 122.820 -0.007 0.000 1.933 379 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 379 A C 2.035 179.603 177.584 -0.028 0.000 1.175 379 A CA 1.823 53.858 52.037 -0.003 0.000 0.628 379 A CB -0.543 18.469 19.000 0.021 0.000 0.814 379 A HN 0.691 nan 8.150 nan 0.000 0.444 380 E N -0.129 120.052 120.200 -0.031 0.000 2.077 380 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 380 E C 2.039 178.572 176.600 -0.112 0.000 0.989 380 E CA 1.020 57.411 56.400 -0.013 0.000 0.800 380 E CB -0.234 29.509 29.700 0.073 0.000 0.746 380 E HN 0.545 nan 8.360 nan 0.000 0.452 381 A N 0.600 123.192 122.820 -0.381 0.000 2.066 381 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 381 A C 2.033 179.478 177.584 -0.232 0.000 1.157 381 A CA 0.616 52.270 52.037 -0.639 0.000 0.670 381 A CB -0.282 18.080 19.000 -1.063 0.000 0.804 381 A HN 0.294 nan 8.150 nan 0.000 0.453 382 L N -1.367 119.777 121.223 -0.132 0.000 2.492 382 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 382 L C 1.669 178.525 176.870 -0.022 0.000 1.132 382 L CA 0.558 55.367 54.840 -0.052 0.000 0.850 382 L CB -0.264 41.781 42.059 -0.023 0.000 0.966 382 L HN 0.556 nan 8.230 nan 0.000 0.454 383 G N 1.191 109.978 108.800 -0.021 0.000 2.176 383 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 383 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 383 G C 0.565 175.469 174.900 0.006 0.000 1.024 383 G CA 0.129 45.228 45.100 -0.001 0.000 0.755 383 G HN 0.462 nan 8.290 nan 0.000 0.507 384 R N -0.237 120.267 120.500 0.008 0.000 2.690 384 R HA 0.318 4.658 4.340 -0.000 0.000 0.419 384 R C 1.798 178.110 176.300 0.020 0.000 1.090 384 R CA 0.338 56.451 56.100 0.022 0.000 1.064 384 R CB 0.301 30.626 30.300 0.042 0.000 1.391 384 R HN 0.219 nan 8.270 nan 0.000 0.586 385 S N 1.063 116.770 115.700 0.011 0.000 2.419 385 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 385 S C 1.655 176.254 174.600 -0.000 0.000 1.019 385 S CA 1.120 59.326 58.200 0.011 0.000 0.982 385 S CB 0.064 63.272 63.200 0.013 0.000 0.789 385 S HN 0.228 nan 8.310 nan 0.000 0.490 386 K N 1.199 121.592 120.400 -0.012 0.000 2.365 386 K HA 0.053 4.373 4.320 -0.000 0.000 0.199 386 K C 0.751 177.309 176.600 -0.069 0.000 1.045 386 K CA 0.818 57.083 56.287 -0.037 0.000 0.962 386 K CB -0.183 32.292 32.500 -0.042 0.000 0.759 386 K HN 0.386 nan 8.250 nan 0.000 0.469 387 D N -0.379 119.994 120.400 -0.044 0.000 2.514 387 D HA 0.008 4.648 4.640 -0.000 0.000 0.249 387 D C 0.913 177.254 176.300 0.069 0.000 1.036 387 D CA 0.374 54.330 54.000 -0.075 0.000 0.911 387 D CB 0.812 41.618 40.800 0.010 0.000 1.145 387 D HN 0.030 nan 8.370 nan 0.000 0.495 388 V N -4.620 115.347 119.914 0.088 0.000 3.156 388 V HA 0.801 4.921 4.120 -0.000 0.000 0.310 388 V C 0.985 177.112 176.094 0.055 0.000 1.234 388 V CA -0.152 62.211 62.300 0.105 0.000 1.065 388 V CB 1.464 33.362 31.823 0.125 0.000 1.088 388 V HN 0.259 nan 8.190 nan 0.000 0.451 389 G N 0.001 108.829 108.800 0.046 0.000 2.217 389 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.246 389 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.246 389 G C 0.028 174.940 174.900 0.019 0.000 0.990 389 G CA 0.598 45.715 45.100 0.029 0.000 0.627 389 G HN 1.164 nan 8.290 nan 0.000 0.522 390 Q N -0.977 118.836 119.800 0.021 0.000 2.418 390 Q HA 0.569 4.909 4.340 -0.000 0.000 0.282 390 Q C -0.814 175.198 176.000 0.019 0.000 1.044 390 Q CA -0.929 54.882 55.803 0.014 0.000 0.813 390 Q CB 3.044 31.788 28.738 0.010 0.000 1.428 390 Q HN 0.192 nan 8.270 nan 0.000 0.402 391 V N 1.590 121.515 119.914 0.018 0.000 2.322 391 V HA 0.660 4.779 4.120 -0.000 0.000 0.258 391 V C -0.427 175.676 176.094 0.016 0.000 1.074 391 V CA -0.013 62.302 62.300 0.024 0.000 0.909 391 V CB -0.040 31.801 31.823 0.030 0.000 1.090 391 V HN 0.731 nan 8.190 nan 0.000 0.486 392 A N 4.184 127.011 122.820 0.012 0.000 2.594 392 A HA 0.765 5.085 4.320 -0.000 0.000 0.295 392 A C -0.695 176.887 177.584 -0.003 0.000 1.071 392 A CA -0.640 51.399 52.037 0.003 0.000 0.685 392 A CB 1.603 20.603 19.000 -0.000 0.000 1.285 392 A HN 0.366 nan 8.150 nan 0.000 0.405 393 V N 1.605 121.516 119.914 -0.006 0.000 2.617 393 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 393 V C 1.654 177.732 176.094 -0.027 0.000 1.040 393 V CA 2.281 64.574 62.300 -0.013 0.000 1.149 393 V CB 0.346 32.163 31.823 -0.011 0.000 0.914 393 V HN 2.345 nan 8.190 nan 0.000 0.487 394 G N 4.377 113.153 108.800 -0.040 0.000 2.279 394 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.223 394 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.223 394 G C 0.296 175.125 174.900 -0.117 0.000 1.015 394 G CA 0.009 45.067 45.100 -0.071 0.000 0.621 394 G HN 0.620 nan 8.290 nan 0.000 0.506 395 R N 0.019 120.468 120.500 -0.084 0.000 2.637 395 R HA 0.612 4.952 4.340 -0.000 0.000 0.269 395 R C 0.223 176.475 176.300 -0.079 0.000 1.089 395 R CA -0.542 55.499 56.100 -0.098 0.000 1.177 395 R CB -0.173 30.117 30.300 -0.017 0.000 1.091 395 R HN 0.261 nan 8.270 nan 0.000 0.540 396 Y N -0.453 119.849 120.300 0.003 0.000 2.683 396 Y HA 0.089 4.639 4.550 -0.000 0.000 0.340 396 Y C 1.704 177.607 175.900 0.005 0.000 1.245 396 Y CA 0.647 58.748 58.100 0.003 0.000 1.485 396 Y CB 0.436 38.896 38.460 0.000 0.000 1.328 396 Y HN 0.715 nan 8.280 nan 0.000 0.603 397 G N 3.122 112.044 108.800 0.203 0.000 3.102 397 G HA2 0.117 4.076 3.960 -0.000 0.000 0.264 397 G HA3 0.117 4.076 3.960 -0.000 0.000 0.264 397 G C -0.897 174.054 174.900 0.085 0.000 0.788 397 G CA -0.467 44.703 45.100 0.117 0.000 2.029 397 G HN 0.482 nan 8.290 nan 0.000 0.608 398 D N 1.500 121.947 120.400 0.079 0.000 2.381 398 D HA 0.574 5.214 4.640 -0.000 0.000 0.235 398 D C 0.282 176.590 176.300 0.013 0.000 1.068 398 D CA 0.152 54.164 54.000 0.020 0.000 0.832 398 D CB 1.667 42.480 40.800 0.021 0.000 1.101 398 D HN 0.189 nan 8.370 nan 0.000 0.515 399 M N 1.608 121.198 119.600 -0.017 0.000 2.569 399 M HA 0.522 5.002 4.480 -0.000 0.000 0.279 399 M C -0.779 175.492 176.300 -0.047 0.000 1.253 399 M CA -0.955 54.359 55.300 0.024 0.000 0.867 399 M CB 2.895 35.591 32.600 0.160 0.000 1.727 399 M HN 0.289 nan 8.290 nan 0.000 0.467 400 I N -1.012 119.565 120.570 0.012 0.000 3.108 400 I HA 1.065 5.235 4.170 -0.000 0.000 0.312 400 I C -1.126 175.113 176.117 0.203 0.000 1.095 400 I CA -0.880 60.435 61.300 0.026 0.000 1.000 400 I CB 2.251 40.212 38.000 -0.065 0.000 1.229 400 I HN 0.722 nan 8.210 nan 0.000 0.454 401 A N 2.681 125.660 122.820 0.265 0.000 2.401 401 A HA 0.852 5.171 4.320 -0.000 0.000 0.310 401 A C -0.704 176.929 177.584 0.081 0.000 1.075 401 A CA -0.535 51.599 52.037 0.162 0.000 0.746 401 A CB 1.772 20.860 19.000 0.147 0.000 1.277 401 A HN 1.242 nan 8.150 nan 0.000 0.425 402 V N -1.043 118.886 119.914 0.025 0.000 2.914 402 V HA 0.943 5.062 4.120 -0.000 0.000 0.314 402 V C 0.264 176.352 176.094 -0.011 0.000 1.084 402 V CA -0.484 61.819 62.300 0.004 0.000 0.963 402 V CB 1.137 32.947 31.823 -0.021 0.000 1.025 402 V HN 1.849 nan 8.190 nan 0.000 0.432 403 A N 2.165 124.980 122.820 -0.008 0.000 2.351 403 A HA 0.879 5.199 4.320 -0.000 0.000 0.257 403 A C 1.083 178.653 177.584 -0.024 0.000 1.087 403 A CA 0.577 52.603 52.037 -0.019 0.000 0.798 403 A CB -0.030 18.965 19.000 -0.008 0.000 1.033 403 A HN 2.966 nan 8.150 nan 0.000 0.488 404 G N 0.323 109.102 108.800 -0.035 0.000 2.542 404 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.235 404 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.235 404 G C -0.447 174.431 174.900 -0.037 0.000 1.286 404 G CA 0.323 45.405 45.100 -0.031 0.000 0.904 404 G HN 1.224 nan 8.290 nan 0.000 0.577 405 D N 1.184 121.583 120.400 -0.002 0.000 2.408 405 D HA 0.494 5.134 4.640 -0.000 0.000 0.261 405 D C -0.882 175.469 176.300 0.085 0.000 1.190 405 D CA -1.560 52.470 54.000 0.050 0.000 0.910 405 D CB 1.407 42.242 40.800 0.058 0.000 1.097 405 D HN 0.077 nan 8.370 nan 0.000 0.522 406 P HA -0.062 nan 4.420 nan 0.000 0.223 406 P C 1.705 179.014 177.300 0.014 0.000 1.151 406 P CA 0.341 63.455 63.100 0.023 0.000 0.787 406 P CB 0.656 32.350 31.700 -0.010 0.000 0.788 407 L N -1.103 120.160 121.223 0.067 0.000 2.291 407 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 407 L C 2.408 179.284 176.870 0.010 0.000 1.120 407 L CA 1.208 56.039 54.840 -0.015 0.000 0.799 407 L CB -0.604 41.389 42.059 -0.109 0.000 0.925 407 L HN -0.014 nan 8.230 nan 0.000 0.446 408 A N -1.851 120.994 122.820 0.041 0.000 2.085 408 A HA 0.028 4.348 4.320 -0.000 0.000 0.208 408 A C 0.321 177.919 177.584 0.024 0.000 1.191 408 A CA 0.278 52.335 52.037 0.033 0.000 0.799 408 A CB 0.323 19.350 19.000 0.045 0.000 0.877 408 A HN 0.250 nan 8.150 nan 0.000 0.473 409 D N -0.858 119.554 120.400 0.019 0.000 2.323 409 D HA 0.221 4.861 4.640 -0.000 0.000 0.242 409 D C 0.269 176.567 176.300 -0.003 0.000 1.347 409 D CA -0.236 53.773 54.000 0.015 0.000 0.988 409 D CB 1.380 42.190 40.800 0.017 0.000 1.314 409 D HN -0.134 nan 8.370 nan 0.000 0.564 410 V N 3.425 123.335 119.914 -0.005 0.000 2.913 410 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 410 V C 2.179 178.250 176.094 -0.038 0.000 1.098 410 V CA 2.686 64.952 62.300 -0.056 0.000 1.121 410 V CB -0.449 31.358 31.823 -0.026 0.000 0.714 410 V HN 0.790 nan 8.190 nan 0.000 0.487 411 T N -2.397 112.170 114.554 0.021 0.000 3.051 411 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 411 T C 1.797 176.510 174.700 0.022 0.000 1.127 411 T CA 1.510 63.637 62.100 0.045 0.000 1.107 411 T CB -0.827 68.073 68.868 0.053 0.000 0.898 411 T HN 0.684 nan 8.240 nan 0.000 0.517 412 T N 0.621 115.171 114.554 -0.007 0.000 2.897 412 T HA -0.012 4.338 4.350 -0.000 0.000 0.271 412 T C 1.612 176.298 174.700 -0.024 0.000 1.084 412 T CA 0.648 62.741 62.100 -0.012 0.000 1.123 412 T CB -0.699 68.156 68.868 -0.021 0.000 0.865 412 T HN 0.306 nan 8.240 nan 0.000 0.496 413 L N 1.137 122.322 121.223 -0.063 0.000 2.465 413 L HA 0.169 4.509 4.340 -0.000 0.000 0.224 413 L C 2.490 179.396 176.870 0.060 0.000 1.145 413 L CA 1.132 55.926 54.840 -0.076 0.000 0.834 413 L CB -0.665 41.215 42.059 -0.299 0.000 0.944 413 L HN 0.377 nan 8.230 nan 0.000 0.451 414 E N -0.092 120.160 120.200 0.088 0.000 2.274 414 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 414 E C 0.424 177.079 176.600 0.091 0.000 0.996 414 E CA 0.678 57.149 56.400 0.118 0.000 0.840 414 E CB 0.108 29.865 29.700 0.094 0.000 0.772 414 E HN 0.351 nan 8.360 nan 0.000 0.491 415 K N 1.453 121.890 120.400 0.062 0.000 3.029 415 K HA 0.208 4.528 4.320 -0.000 0.000 0.169 415 K C -2.640 173.985 176.600 0.042 0.000 1.090 415 K CA -1.321 54.998 56.287 0.053 0.000 0.883 415 K CB 1.429 33.956 32.500 0.044 0.000 1.080 415 K HN -0.014 nan 8.250 nan 0.000 0.613 416 P HA -0.040 nan 4.420 nan 0.000 0.268 416 P C 0.906 178.237 177.300 0.052 0.000 1.205 416 P CA -0.143 62.978 63.100 0.034 0.000 0.771 416 P CB 1.194 32.903 31.700 0.014 0.000 0.858 417 V N -0.394 119.566 119.914 0.076 0.000 3.590 417 V HA 0.353 4.473 4.120 -0.000 0.000 0.265 417 V C 0.227 176.426 176.094 0.176 0.000 1.239 417 V CA 0.438 62.795 62.300 0.095 0.000 1.117 417 V CB -0.949 30.918 31.823 0.072 0.000 0.818 417 V HN 0.394 nan 8.190 nan 0.000 0.451 418 F N 0.151 120.095 119.950 -0.011 0.000 2.596 418 F HA 0.787 5.313 4.527 -0.000 0.000 0.311 418 F C -1.358 174.433 175.800 -0.014 0.000 1.116 418 F CA -1.015 56.978 58.000 -0.012 0.000 0.957 418 F CB 2.106 41.096 39.000 -0.017 0.000 1.250 418 F HN -0.195 nan 8.300 nan 0.000 0.444 419 V N 7.158 126.630 119.914 -0.737 0.000 2.686 419 V HA 0.559 4.678 4.120 -0.000 0.000 0.306 419 V C -0.772 174.778 176.094 -0.907 0.000 1.065 419 V CA -0.674 61.218 62.300 -0.680 0.000 0.894 419 V CB 1.932 33.581 31.823 -0.291 0.000 1.004 419 V HN 0.922 nan 8.190 nan 0.000 0.424 420 M N 4.823 123.989 119.600 -0.724 0.000 2.393 420 M HA 0.631 5.111 4.480 -0.000 0.000 0.299 420 M C -1.476 174.709 176.300 -0.191 0.000 1.103 420 M CA -0.479 54.574 55.300 -0.412 0.000 0.910 420 M CB 1.993 34.436 32.600 -0.262 0.000 1.659 420 M HN 0.632 nan 8.290 nan 0.000 0.445 421 K N 3.320 123.644 120.400 -0.127 0.000 2.507 421 K HA 0.462 4.782 4.320 -0.000 0.000 0.252 421 K C 0.145 176.702 176.600 -0.072 0.000 0.943 421 K CA 0.356 56.587 56.287 -0.094 0.000 0.808 421 K CB 1.579 34.018 32.500 -0.101 0.000 1.142 421 K HN 1.023 nan 8.250 nan 0.000 0.426 422 G N 2.824 111.592 108.800 -0.054 0.000 2.341 422 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.292 422 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.292 422 G C 0.792 175.702 174.900 0.017 0.000 1.021 422 G CA 0.944 46.033 45.100 -0.018 0.000 0.905 422 G HN 1.440 nan 8.290 nan 0.000 0.508 423 G N -1.955 106.862 108.800 0.029 0.000 2.212 423 G HA2 0.126 4.086 3.960 -0.000 0.000 0.266 423 G HA3 0.126 4.086 3.960 -0.000 0.000 0.266 423 G C 0.825 175.740 174.900 0.025 0.000 0.978 423 G CA 1.306 46.431 45.100 0.042 0.000 0.632 423 G HN 2.344 nan 8.290 nan 0.000 0.537 424 A N 0.248 123.063 122.820 -0.008 0.000 2.366 424 A HA 0.678 4.997 4.320 -0.000 0.000 0.272 424 A C 0.504 178.064 177.584 -0.039 0.000 1.135 424 A CA 0.097 52.123 52.037 -0.018 0.000 0.804 424 A CB 1.125 20.104 19.000 -0.035 0.000 1.064 424 A HN 1.094 nan 8.150 nan 0.000 0.499 425 V N 4.518 124.425 119.914 -0.010 0.000 2.427 425 V HA 0.057 4.177 4.120 -0.000 0.000 0.268 425 V C 1.161 177.215 176.094 -0.065 0.000 1.046 425 V CA 0.093 62.376 62.300 -0.028 0.000 0.970 425 V CB 0.800 32.674 31.823 0.085 0.000 1.001 425 V HN 0.754 nan 8.190 nan 0.000 0.476 426 V N 4.089 123.918 119.914 -0.142 0.000 2.575 426 V HA 0.144 4.264 4.120 -0.000 0.000 0.242 426 V C 0.758 176.804 176.094 -0.080 0.000 1.045 426 V CA 1.112 63.349 62.300 -0.106 0.000 1.065 426 V CB -0.047 31.699 31.823 -0.130 0.000 0.717 426 V HN 0.841 nan 8.190 nan 0.000 0.467 427 K N -0.319 120.011 120.400 -0.116 0.000 2.523 427 K HA 0.678 4.998 4.320 -0.000 0.000 0.257 427 K C -1.565 175.061 176.600 0.044 0.000 0.932 427 K CA -0.116 56.148 56.287 -0.038 0.000 0.812 427 K CB 2.368 34.841 32.500 -0.044 0.000 1.326 427 K HN 0.174 nan 8.250 nan 0.000 0.433 428 A N 3.490 126.382 122.820 0.120 0.000 2.612 428 A HA 0.652 4.972 4.320 -0.000 0.000 0.293 428 A C -2.808 174.849 177.584 0.123 0.000 1.075 428 A CA -1.107 51.066 52.037 0.226 0.000 0.680 428 A CB 0.790 19.953 19.000 0.273 0.000 1.279 428 A HN 0.607 nan 8.150 nan 0.000 0.411 429 P HA 0.000 nan 4.420 nan 0.000 0.216 429 P CA 0.000 63.131 63.100 0.052 0.000 0.800 429 P CB 0.000 31.716 31.700 0.026 0.000 0.726