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 4nos_1_D DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEFTQLCID LGWKPKYGRF DVVPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV IHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.520 176.300 0.367 0.000 0.893 83 R CA 0.000 56.194 56.100 0.156 0.000 0.921 83 R CB 0.000 30.348 30.300 0.080 0.000 0.687 84 H N 1.130 120.356 119.070 0.259 0.000 2.745 84 H HA 0.462 5.019 4.556 0.002 0.000 0.373 84 H C -0.630 174.791 175.328 0.155 0.000 1.226 84 H CA -0.154 56.042 56.048 0.247 0.000 1.435 84 H CB 0.703 30.564 29.762 0.164 0.000 1.461 84 H HN 0.112 nan 8.280 nan 0.000 0.616 85 V N 3.330 123.427 119.914 0.305 0.000 2.448 85 V HA 0.309 4.430 4.120 0.001 0.000 0.295 85 V C 0.380 176.632 176.094 0.262 0.000 1.025 85 V CA -0.934 61.430 62.300 0.108 0.000 0.859 85 V CB 1.185 32.925 31.823 -0.140 0.000 0.988 85 V HN 0.850 nan 8.190 nan 0.000 0.431 86 R N 4.692 125.320 120.500 0.213 0.000 2.459 86 R HA 0.748 5.089 4.340 0.001 0.000 0.281 86 R C -0.843 175.471 176.300 0.024 0.000 1.050 86 R CA -0.333 55.851 56.100 0.139 0.000 1.055 86 R CB 1.090 31.471 30.300 0.135 0.000 1.045 86 R HN 0.834 nan 8.270 nan 0.000 0.495 87 I N -0.783 119.755 120.570 -0.052 0.000 2.894 87 I HA 0.562 4.733 4.170 0.001 0.000 0.302 87 I C -1.424 174.555 176.117 -0.230 0.000 1.188 87 I CA -1.092 60.163 61.300 -0.075 0.000 1.014 87 I CB 2.363 40.369 38.000 0.009 0.000 1.242 87 I HN 0.495 nan 8.210 nan 0.000 0.430 88 K N 2.909 123.121 120.400 -0.313 0.000 2.477 88 K HA 0.382 4.702 4.320 0.001 0.000 0.255 88 K C -1.579 174.690 176.600 -0.553 0.000 0.952 88 K CA -0.749 55.200 56.287 -0.564 0.000 0.826 88 K CB 2.266 34.235 32.500 -0.885 0.000 1.331 88 K HN 0.831 nan 8.250 nan 0.000 0.437 89 N N 3.212 121.629 118.700 -0.472 0.000 2.437 89 N HA 0.108 4.849 4.740 0.001 0.000 0.259 89 N C -0.134 175.235 175.510 -0.235 0.000 0.983 89 N CA -0.315 52.616 53.050 -0.198 0.000 0.937 89 N CB 0.502 38.950 38.487 -0.066 0.000 1.122 89 N HN 0.629 nan 8.380 nan 0.000 0.499 90 W N 2.293 123.650 121.300 0.095 0.000 2.825 90 W HA 0.149 4.810 4.660 0.001 0.000 0.243 90 W C 1.980 178.482 176.519 -0.027 0.000 1.293 90 W CA -0.086 57.289 57.345 0.051 0.000 1.403 90 W CB 0.374 29.895 29.460 0.101 0.000 1.134 90 W HN 0.652 nan 8.180 nan 0.000 0.666 91 G N -0.964 107.909 108.800 0.121 0.000 2.719 91 G HA2 -0.074 3.887 3.960 0.001 0.000 0.211 91 G HA3 -0.074 3.887 3.960 0.001 0.000 0.211 91 G C 1.387 176.291 174.900 0.005 0.000 1.140 91 G CA 0.852 45.937 45.100 -0.024 0.000 0.790 91 G HN 0.243 nan 8.290 nan 0.000 0.529 92 S N -1.720 113.982 115.700 0.002 0.000 2.524 92 S HA 0.390 4.861 4.470 0.001 0.000 0.222 92 S C 1.829 176.387 174.600 -0.070 0.000 1.040 92 S CA 1.125 59.311 58.200 -0.024 0.000 0.915 92 S CB 0.461 63.648 63.200 -0.021 0.000 0.831 92 S HN 1.397 nan 8.310 nan 0.000 0.492 93 G N 1.715 110.444 108.800 -0.117 0.000 2.179 93 G HA2 -0.305 3.656 3.960 0.001 0.000 0.260 93 G HA3 -0.305 3.656 3.960 0.001 0.000 0.260 93 G C 0.002 174.742 174.900 -0.267 0.000 0.977 93 G CA 0.374 45.361 45.100 -0.188 0.000 0.641 93 G HN 0.615 nan 8.290 nan 0.000 0.533 94 M N 1.630 121.062 119.600 -0.279 0.000 2.248 94 M HA 0.463 4.944 4.480 0.001 0.000 0.337 94 M C 0.113 176.057 176.300 -0.594 0.000 1.121 94 M CA 0.873 55.936 55.300 -0.394 0.000 1.155 94 M CB 0.482 32.851 32.600 -0.384 0.000 1.514 94 M HN 0.168 nan 8.290 nan 0.000 0.452 95 T N 3.972 118.137 114.554 -0.649 0.000 2.916 95 T HA 0.754 5.105 4.350 0.001 0.000 0.292 95 T C -1.382 172.842 174.700 -0.793 0.000 1.055 95 T CA -0.407 61.305 62.100 -0.647 0.000 1.009 95 T CB 1.159 69.804 68.868 -0.371 0.000 1.118 95 T HN 0.460 nan 8.240 nan 0.000 0.497 96 F N 0.716 120.464 119.950 -0.336 0.000 2.613 96 F HA 0.600 5.128 4.527 0.001 0.000 0.314 96 F C -0.297 175.274 175.800 -0.382 0.000 1.075 96 F CA -1.217 56.494 58.000 -0.481 0.000 0.945 96 F CB 2.107 40.428 39.000 -1.132 0.000 1.310 96 F HN 0.317 nan 8.300 nan 0.000 0.467 97 Q N 0.871 120.618 119.800 -0.088 0.000 2.327 97 Q HA 0.283 4.624 4.340 0.001 0.000 0.270 97 Q C -1.422 174.660 176.000 0.137 0.000 1.022 97 Q CA -0.561 55.142 55.803 -0.167 0.000 0.773 97 Q CB 2.057 30.372 28.738 -0.706 0.000 1.251 97 Q HN 0.367 nan 8.270 nan 0.000 0.457 98 D N 1.556 122.131 120.400 0.291 0.000 2.359 98 D HA 0.120 4.761 4.640 0.001 0.000 0.230 98 D C 0.209 176.745 176.300 0.394 0.000 1.118 98 D CA 0.021 54.283 54.000 0.437 0.000 0.844 98 D CB 1.303 42.365 40.800 0.437 0.000 1.059 98 D HN 0.720 nan 8.370 nan 0.000 0.493 99 T N 1.006 115.700 114.554 0.234 0.000 2.978 99 T HA -0.061 4.290 4.350 0.001 0.000 0.248 99 T C 1.966 176.588 174.700 -0.130 0.000 1.018 99 T CA -0.241 61.929 62.100 0.117 0.000 1.026 99 T CB 0.037 69.000 68.868 0.158 0.000 1.032 99 T HN 0.238 nan 8.240 nan 0.000 0.485 100 L N 3.579 124.761 121.223 -0.070 0.000 2.051 100 L HA -0.227 4.114 4.340 0.001 0.000 0.214 100 L C 2.642 179.303 176.870 -0.348 0.000 1.076 100 L CA 2.325 57.096 54.840 -0.115 0.000 0.758 100 L CB -1.110 40.949 42.059 -0.000 0.000 0.890 100 L HN 0.641 nan 8.230 nan 0.000 0.433 101 H N -2.249 116.381 119.070 -0.733 0.000 2.518 101 H HA -0.226 4.330 4.556 0.001 0.000 0.294 101 H C 1.737 176.696 175.328 -0.615 0.000 1.083 101 H CA 1.980 57.249 56.048 -1.298 0.000 1.264 101 H CB -1.050 27.920 29.762 -1.320 0.000 1.370 101 H HN 0.613 nan 8.280 nan 0.000 0.560 102 H N 0.913 119.491 119.070 -0.819 0.000 2.524 102 H HA 0.059 4.615 4.556 0.001 0.000 0.282 102 H C 1.714 176.900 175.328 -0.237 0.000 1.016 102 H CA 0.908 56.667 56.048 -0.482 0.000 1.270 102 H CB 0.346 29.857 29.762 -0.419 0.000 1.394 102 H HN 0.402 nan 8.280 nan 0.000 0.568 103 K N 0.362 120.699 120.400 -0.104 0.000 2.393 103 K HA 0.225 4.546 4.320 0.001 0.000 0.193 103 K C 0.794 177.392 176.600 -0.003 0.000 1.026 103 K CA 0.048 56.317 56.287 -0.031 0.000 1.064 103 K CB 0.742 33.234 32.500 -0.012 0.000 0.833 103 K HN 0.126 nan 8.250 nan 0.000 0.521 104 A N 2.064 124.876 122.820 -0.013 0.000 2.406 104 A HA 0.089 4.409 4.320 0.001 0.000 0.243 104 A C -0.196 177.398 177.584 0.017 0.000 1.082 104 A CA -0.008 52.060 52.037 0.051 0.000 0.786 104 A CB 0.241 19.316 19.000 0.124 0.000 1.029 104 A HN 0.123 nan 8.150 nan 0.000 0.495 105 K N 0.549 120.950 120.400 0.001 0.000 2.174 105 K HA 0.346 4.666 4.320 0.001 0.000 0.275 105 K C 0.625 177.229 176.600 0.006 0.000 1.015 105 K CA 0.275 56.562 56.287 -0.001 0.000 0.933 105 K CB 1.033 33.527 32.500 -0.010 0.000 1.025 105 K HN 0.734 nan 8.250 nan 0.000 0.463 106 G N 3.393 112.200 108.800 0.011 0.000 3.008 106 G HA2 0.159 4.119 3.960 0.001 0.000 0.272 106 G HA3 0.159 4.119 3.960 0.001 0.000 0.272 106 G C 0.720 175.628 174.900 0.014 0.000 0.764 106 G CA -0.122 44.987 45.100 0.016 0.000 2.029 106 G HN 0.744 nan 8.290 nan 0.000 0.587 107 I N -1.519 119.058 120.570 0.013 0.000 4.456 107 I HA 0.382 4.553 4.170 0.001 0.000 0.329 107 I C 0.575 176.707 176.117 0.025 0.000 1.313 107 I CA -0.401 60.908 61.300 0.014 0.000 1.205 107 I CB 0.045 38.052 38.000 0.012 0.000 1.179 107 I HN -0.017 nan 8.210 nan 0.000 0.419 108 L N 2.849 124.089 121.223 0.029 0.000 2.483 108 L HA 0.087 4.427 4.340 0.001 0.000 0.276 108 L C 1.560 178.453 176.870 0.039 0.000 1.213 108 L CA 0.338 55.202 54.840 0.040 0.000 0.843 108 L CB 0.862 42.950 42.059 0.049 0.000 1.107 108 L HN 0.336 nan 8.230 nan 0.000 0.487 109 T N -2.542 112.038 114.554 0.044 0.000 3.144 109 T HA 0.083 4.434 4.350 0.001 0.000 0.249 109 T C 0.608 175.330 174.700 0.038 0.000 1.089 109 T CA -0.445 61.679 62.100 0.039 0.000 0.989 109 T CB -0.364 68.528 68.868 0.041 0.000 0.992 109 T HN 0.447 nan 8.240 nan 0.000 0.540 110 C N 3.344 122.669 119.300 0.041 0.000 2.676 110 C HA 0.622 5.083 4.460 0.001 0.000 0.416 110 C C 1.092 176.100 174.990 0.030 0.000 1.299 110 C CA -0.822 58.218 59.018 0.037 0.000 2.048 110 C CB -0.283 27.481 27.740 0.041 0.000 2.713 110 C HN 0.773 nan 8.230 nan 0.000 0.624 111 R N 1.104 121.619 120.500 0.025 0.000 2.846 111 R HA 0.516 4.857 4.340 0.001 0.000 0.263 111 R C 0.760 177.070 176.300 0.016 0.000 1.080 111 R CA -0.016 56.096 56.100 0.020 0.000 0.961 111 R CB 0.669 30.980 30.300 0.019 0.000 1.231 111 R HN 0.558 nan 8.270 nan 0.000 0.465 112 S N -0.108 115.600 115.700 0.013 0.000 2.423 112 S HA -0.095 4.375 4.470 0.001 0.000 0.231 112 S C 1.169 175.775 174.600 0.009 0.000 1.014 112 S CA 0.798 59.004 58.200 0.010 0.000 0.965 112 S CB -0.262 62.944 63.200 0.009 0.000 0.785 112 S HN 0.608 nan 8.310 nan 0.000 0.495 113 K N 1.369 121.775 120.400 0.011 0.000 2.296 113 K HA 0.116 4.436 4.320 0.001 0.000 0.200 113 K C 0.145 176.752 176.600 0.012 0.000 1.048 113 K CA 0.784 57.077 56.287 0.010 0.000 0.966 113 K CB 0.072 32.578 32.500 0.011 0.000 0.754 113 K HN 0.601 nan 8.250 nan 0.000 0.466 114 S N -0.669 115.040 115.700 0.014 0.000 2.548 114 S HA 0.181 4.651 4.470 0.001 0.000 0.278 114 S C -0.997 173.616 174.600 0.021 0.000 1.150 114 S CA -1.292 56.918 58.200 0.017 0.000 0.907 114 S CB 1.084 64.296 63.200 0.019 0.000 1.108 114 S HN 0.176 nan 8.310 nan 0.000 0.459 115 C N 4.854 124.167 119.300 0.021 0.000 2.285 115 C HA 0.619 5.080 4.460 0.001 0.000 0.335 115 C C 0.729 175.741 174.990 0.038 0.000 1.267 115 C CA -0.747 58.288 59.018 0.028 0.000 1.762 115 C CB -1.404 26.348 27.740 0.020 0.000 2.365 115 C HN 0.904 nan 8.230 nan 0.000 0.527 116 L N 5.882 127.134 121.223 0.048 0.000 2.928 116 L HA 0.282 4.623 4.340 0.001 0.000 0.246 116 L C 2.031 178.949 176.870 0.079 0.000 1.239 116 L CA 0.229 55.105 54.840 0.060 0.000 1.035 116 L CB -0.522 41.572 42.059 0.057 0.000 1.360 116 L HN 0.984 nan 8.230 nan 0.000 0.529 117 G N 0.589 109.438 108.800 0.082 0.000 2.586 117 G HA2 -0.222 3.739 3.960 0.001 0.000 0.215 117 G HA3 -0.222 3.739 3.960 0.001 0.000 0.215 117 G C 1.405 176.392 174.900 0.146 0.000 1.128 117 G CA 1.060 46.225 45.100 0.108 0.000 0.774 117 G HN 0.526 nan 8.290 nan 0.000 0.543 118 S N -0.334 115.447 115.700 0.135 0.000 2.557 118 S HA 0.340 4.811 4.470 0.001 0.000 0.223 118 S C 0.583 175.283 174.600 0.167 0.000 0.969 118 S CA -0.618 57.682 58.200 0.166 0.000 0.927 118 S CB 0.172 63.452 63.200 0.132 0.000 0.806 118 S HN -0.034 nan 8.310 nan 0.000 0.489 119 I N 2.621 123.279 120.570 0.146 0.000 2.533 119 I HA 0.182 4.353 4.170 0.001 0.000 0.284 119 I C 1.475 177.702 176.117 0.184 0.000 1.109 119 I CA -0.097 61.284 61.300 0.136 0.000 1.412 119 I CB 0.046 38.110 38.000 0.107 0.000 1.396 119 I HN 0.357 nan 8.210 nan 0.000 0.543 120 M N 4.333 124.051 119.600 0.196 0.000 2.064 120 M HA -0.097 4.384 4.480 0.001 0.000 0.260 120 M C 0.495 176.910 176.300 0.191 0.000 1.073 120 M CA 1.672 57.134 55.300 0.269 0.000 1.124 120 M CB 0.195 32.944 32.600 0.248 0.000 1.326 120 M HN 0.583 nan 8.290 nan 0.000 0.410 121 T N 2.611 117.215 114.554 0.083 0.000 3.331 121 T HA 0.394 4.745 4.350 0.001 0.000 0.381 121 T C -2.361 172.388 174.700 0.082 0.000 1.656 121 T CA -1.151 60.943 62.100 -0.009 0.000 1.453 121 T CB 0.441 69.179 68.868 -0.218 0.000 1.066 121 T HN 0.315 nan 8.240 nan 0.000 0.655 122 P HA 0.412 nan 4.420 nan 0.000 0.278 122 P C 0.513 177.896 177.300 0.139 0.000 1.266 122 P CA -0.694 62.481 63.100 0.124 0.000 0.807 122 P CB 1.727 33.502 31.700 0.124 0.000 1.094 123 K N -0.006 120.450 120.400 0.094 0.000 2.288 123 K HA -0.039 4.282 4.320 0.001 0.000 0.201 123 K C 1.958 178.611 176.600 0.089 0.000 1.048 123 K CA 1.373 57.708 56.287 0.080 0.000 0.956 123 K CB -0.251 32.274 32.500 0.042 0.000 0.746 123 K HN 0.495 nan 8.250 nan 0.000 0.461 124 S N 1.181 116.938 115.700 0.096 0.000 2.419 124 S HA -0.074 4.397 4.470 0.001 0.000 0.233 124 S C 1.695 176.391 174.600 0.160 0.000 1.016 124 S CA 0.821 59.075 58.200 0.092 0.000 0.974 124 S CB -0.263 62.982 63.200 0.075 0.000 0.786 124 S HN 0.225 nan 8.310 nan 0.000 0.492 125 L N 1.144 122.498 121.223 0.218 0.000 2.667 125 L HA 0.280 4.621 4.340 0.001 0.000 0.232 125 L C -0.122 176.997 176.870 0.415 0.000 1.138 125 L CA -0.028 55.008 54.840 0.327 0.000 0.921 125 L CB 0.015 42.212 42.059 0.230 0.000 1.180 125 L HN 0.164 nan 8.230 nan 0.000 0.487 126 T N 0.208 114.935 114.554 0.288 0.000 2.779 126 T HA 0.375 4.725 4.350 0.001 0.000 0.280 126 T C -0.276 174.443 174.700 0.032 0.000 0.987 126 T CA -0.405 61.831 62.100 0.226 0.000 0.966 126 T CB 1.977 70.940 68.868 0.158 0.000 0.933 126 T HN -0.089 nan 8.240 nan 0.000 0.442 127 R N 2.348 122.840 120.500 -0.014 0.000 2.278 127 R HA 0.576 4.917 4.340 0.001 0.000 0.322 127 R C 0.591 176.853 176.300 -0.063 0.000 1.058 127 R CA -0.410 55.575 56.100 -0.191 0.000 0.991 127 R CB 0.037 30.139 30.300 -0.330 0.000 1.140 127 R HN 0.821 nan 8.270 nan 0.000 0.518 128 G N 3.291 112.051 108.800 -0.068 0.000 2.508 128 G HA2 0.386 4.347 3.960 0.001 0.000 0.278 128 G HA3 0.386 4.347 3.960 0.001 0.000 0.278 128 G C -2.105 172.764 174.900 -0.051 0.000 1.389 128 G CA -0.813 44.256 45.100 -0.051 0.000 1.050 128 G HN 0.547 nan 8.290 nan 0.000 0.522 129 P HA 0.421 nan 4.420 nan 0.000 0.287 129 P C -1.057 176.218 177.300 -0.042 0.000 1.270 129 P CA -0.445 62.627 63.100 -0.046 0.000 0.844 129 P CB 1.747 33.412 31.700 -0.057 0.000 1.068 130 R N 0.298 120.777 120.500 -0.035 0.000 2.808 130 R HA 0.529 4.869 4.340 0.001 0.000 0.272 130 R C -0.695 175.588 176.300 -0.029 0.000 0.995 130 R CA -0.799 55.282 56.100 -0.031 0.000 0.917 130 R CB 0.836 31.120 30.300 -0.027 0.000 1.217 130 R HN 0.246 nan 8.270 nan 0.000 0.471 131 D N 0.187 120.571 120.400 -0.026 0.000 2.501 131 D HA 0.246 4.887 4.640 0.001 0.000 0.224 131 D C -0.505 175.790 176.300 -0.009 0.000 1.202 131 D CA -0.319 53.666 54.000 -0.025 0.000 0.829 131 D CB 0.475 41.257 40.800 -0.031 0.000 1.023 131 D HN 0.404 nan 8.370 nan 0.000 0.499 132 K N 0.539 120.937 120.400 -0.003 0.000 2.551 132 K HA 0.392 4.713 4.320 0.001 0.000 0.269 132 K C -2.966 173.638 176.600 0.007 0.000 0.949 132 K CA -1.808 54.483 56.287 0.006 0.000 0.849 132 K CB 3.062 35.563 32.500 0.002 0.000 1.411 132 K HN -0.136 nan 8.250 nan 0.000 0.432 133 P HA 0.031 nan 4.420 nan 0.000 0.274 133 P C -0.565 176.738 177.300 0.006 0.000 1.246 133 P CA -0.194 62.911 63.100 0.010 0.000 0.795 133 P CB 0.380 32.090 31.700 0.016 0.000 1.006 134 T N 3.389 117.945 114.554 0.003 0.000 2.799 134 T HA 0.179 4.530 4.350 0.001 0.000 0.296 134 T C -2.066 172.645 174.700 0.019 0.000 0.947 134 T CA -0.491 61.614 62.100 0.008 0.000 1.141 134 T CB -0.826 68.048 68.868 0.010 0.000 0.891 134 T HN 0.319 nan 8.240 nan 0.000 0.533 135 P HA 0.050 nan 4.420 nan 0.000 0.261 135 P C -1.893 175.423 177.300 0.027 0.000 1.173 135 P CA -1.038 62.073 63.100 0.018 0.000 0.760 135 P CB 0.247 31.954 31.700 0.012 0.000 0.783 136 P HA -0.215 nan 4.420 nan 0.000 0.216 136 P C 1.062 178.378 177.300 0.026 0.000 1.150 136 P CA 1.445 64.566 63.100 0.035 0.000 0.837 136 P CB -0.192 31.526 31.700 0.031 0.000 0.786 137 D N 0.246 120.657 120.400 0.018 0.000 2.158 137 D HA -0.221 4.420 4.640 0.001 0.000 0.197 137 D C 1.434 177.743 176.300 0.015 0.000 0.995 137 D CA 1.330 55.338 54.000 0.013 0.000 0.846 137 D CB -0.773 40.032 40.800 0.009 0.000 0.941 137 D HN 0.338 nan 8.370 nan 0.000 0.456 138 E N -0.113 120.098 120.200 0.019 0.000 2.230 138 E HA -0.003 4.348 4.350 0.001 0.000 0.192 138 E C 2.187 178.807 176.600 0.034 0.000 0.987 138 E CA -0.062 56.351 56.400 0.021 0.000 0.841 138 E CB 0.069 29.779 29.700 0.017 0.000 0.783 138 E HN 0.146 nan 8.360 nan 0.000 0.481 139 L N 1.038 122.287 121.223 0.044 0.000 2.095 139 L HA -0.075 4.266 4.340 0.001 0.000 0.204 139 L C 2.142 179.046 176.870 0.056 0.000 1.080 139 L CA 0.981 55.864 54.840 0.073 0.000 0.759 139 L CB -0.298 41.820 42.059 0.099 0.000 0.914 139 L HN 0.101 nan 8.230 nan 0.000 0.439 140 L N 1.048 122.282 121.223 0.019 0.000 2.013 140 L HA -0.120 4.221 4.340 0.001 0.000 0.212 140 L C -0.582 176.279 176.870 -0.015 0.000 1.073 140 L CA 2.348 57.174 54.840 -0.023 0.000 0.753 140 L CB -1.919 40.129 42.059 -0.019 0.000 0.890 140 L HN 0.245 nan 8.230 nan 0.000 0.432 141 P HA -0.223 nan 4.420 nan 0.000 0.215 141 P C 1.355 178.681 177.300 0.043 0.000 1.157 141 P CA 1.709 64.820 63.100 0.019 0.000 0.868 141 P CB -0.170 31.542 31.700 0.019 0.000 0.788 142 Q N -0.060 119.777 119.800 0.063 0.000 2.124 142 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 142 Q C 2.455 178.545 176.000 0.149 0.000 0.977 142 Q CA 1.593 57.460 55.803 0.106 0.000 0.850 142 Q CB -0.801 28.003 28.738 0.111 0.000 0.901 142 Q HN 0.187 nan 8.270 nan 0.000 0.429 143 A N 1.719 124.596 122.820 0.095 0.000 1.865 143 A HA -0.202 4.119 4.320 0.001 0.000 0.217 143 A C 2.087 179.703 177.584 0.053 0.000 1.191 143 A CA 1.462 53.509 52.037 0.017 0.000 0.623 143 A CB -0.585 18.201 19.000 -0.358 0.000 0.826 143 A HN 0.259 nan 8.150 nan 0.000 0.444 144 I N 0.145 120.719 120.570 0.007 0.000 2.286 144 I HA -0.217 3.954 4.170 0.001 0.000 0.248 144 I C 2.278 178.435 176.117 0.067 0.000 1.115 144 I CA 1.557 62.873 61.300 0.027 0.000 1.392 144 I CB -1.863 36.141 38.000 0.007 0.000 1.065 144 I HN 0.470 nan 8.210 nan 0.000 0.418 145 E N 0.425 120.678 120.200 0.088 0.000 2.058 145 E HA -0.262 4.088 4.350 0.001 0.000 0.194 145 E C 2.155 178.823 176.600 0.115 0.000 0.997 145 E CA 1.357 57.813 56.400 0.093 0.000 0.801 145 E CB -0.334 29.429 29.700 0.106 0.000 0.746 145 E HN 0.386 nan 8.360 nan 0.000 0.450 146 F N 1.199 121.196 119.950 0.078 0.000 2.134 146 F HA -0.212 4.316 4.527 0.001 0.000 0.299 146 F C 2.042 177.887 175.800 0.075 0.000 1.097 146 F CA 1.012 59.078 58.000 0.110 0.000 1.264 146 F CB -0.323 38.773 39.000 0.160 0.000 1.001 146 F HN -0.197 nan 8.300 nan 0.000 0.479 147 V N 1.025 120.867 119.914 -0.120 0.000 2.343 147 V HA -0.343 3.778 4.120 0.001 0.000 0.247 147 V C 2.253 178.222 176.094 -0.208 0.000 1.051 147 V CA 2.172 64.387 62.300 -0.142 0.000 1.036 147 V CB -0.884 30.993 31.823 0.089 0.000 0.654 147 V HN 0.374 nan 8.190 nan 0.000 0.451 148 N N -0.113 118.530 118.700 -0.096 0.000 2.120 148 N HA -0.202 4.539 4.740 0.001 0.000 0.188 148 N C 1.903 177.274 175.510 -0.232 0.000 1.024 148 N CA 1.526 54.533 53.050 -0.072 0.000 0.852 148 N CB -0.338 38.183 38.487 0.057 0.000 1.003 148 N HN 0.626 nan 8.380 nan 0.000 0.424 149 Q N -0.295 119.364 119.800 -0.235 0.000 2.020 149 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 149 Q C 1.980 177.662 176.000 -0.529 0.000 0.982 149 Q CA 1.236 56.907 55.803 -0.220 0.000 0.838 149 Q CB -0.198 28.532 28.738 -0.014 0.000 0.899 149 Q HN 0.380 nan 8.270 nan 0.000 0.423 150 Y N 0.158 119.784 120.300 -1.123 0.000 2.070 150 Y HA -0.304 4.247 4.550 0.001 0.000 0.280 150 Y C 1.736 176.698 175.900 -1.562 0.000 1.148 150 Y CA 1.986 59.034 58.100 -1.753 0.000 1.125 150 Y CB -0.819 36.640 38.460 -1.668 0.000 0.975 150 Y HN 0.206 nan 8.280 nan 0.000 0.492 151 Y N -0.079 119.382 120.300 -1.398 0.000 2.293 151 Y HA -0.037 4.514 4.550 0.001 0.000 0.291 151 Y C 2.709 177.879 175.900 -1.216 0.000 1.137 151 Y CA 1.373 58.452 58.100 -1.702 0.000 1.202 151 Y CB -0.944 36.554 38.460 -1.603 0.000 0.990 151 Y HN 0.235 nan 8.280 nan 0.000 0.537 152 G N -1.288 107.128 108.800 -0.640 0.000 2.509 152 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 152 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 152 G C 1.771 176.467 174.900 -0.341 0.000 1.124 152 G CA 1.075 45.970 45.100 -0.342 0.000 0.776 152 G HN 0.474 nan 8.290 nan 0.000 0.547 153 S N 0.020 115.399 115.700 -0.536 0.000 2.470 153 S HA 0.206 4.677 4.470 0.001 0.000 0.225 153 S C 0.622 175.181 174.600 -0.069 0.000 1.006 153 S CA -0.419 57.634 58.200 -0.245 0.000 0.934 153 S CB -0.273 62.856 63.200 -0.118 0.000 0.778 153 S HN -0.012 nan 8.310 nan 0.000 0.517 154 F N 2.797 122.614 119.950 -0.221 0.000 2.538 154 F HA 0.482 5.010 4.527 0.002 0.000 0.371 154 F C 1.395 177.148 175.800 -0.077 0.000 1.087 154 F CA -1.543 56.364 58.000 -0.156 0.000 1.250 154 F CB 0.576 39.468 39.000 -0.181 0.000 1.110 154 F HN 0.096 nan 8.300 nan 0.000 0.570 155 K N 1.671 122.156 120.400 0.143 0.000 2.211 155 K HA -0.128 4.192 4.320 0.001 0.000 0.203 155 K C 0.398 177.037 176.600 0.066 0.000 1.050 155 K CA 1.121 57.452 56.287 0.075 0.000 0.945 155 K CB -0.002 32.528 32.500 0.049 0.000 0.732 155 K HN 0.575 nan 8.250 nan 0.000 0.451 156 E N 0.697 120.946 120.200 0.082 0.000 2.121 156 E HA 0.318 4.669 4.350 0.001 0.000 0.255 156 E C -1.051 175.623 176.600 0.124 0.000 0.906 156 E CA -0.627 55.810 56.400 0.062 0.000 0.745 156 E CB 0.826 30.536 29.700 0.017 0.000 1.155 156 E HN 0.184 nan 8.360 nan 0.000 0.424 157 A N 4.426 127.316 122.820 0.116 0.000 2.520 157 A HA 0.249 4.570 4.320 0.001 0.000 0.235 157 A C 0.046 177.727 177.584 0.162 0.000 1.065 157 A CA -0.205 51.925 52.037 0.155 0.000 0.764 157 A CB 0.283 19.334 19.000 0.084 0.000 1.002 157 A HN 0.455 nan 8.150 nan 0.000 0.502 158 K N 3.287 123.833 120.400 0.243 0.000 2.624 158 K HA 0.291 4.612 4.320 0.001 0.000 0.200 158 K C 0.078 176.735 176.600 0.096 0.000 1.036 158 K CA -0.284 56.112 56.287 0.181 0.000 1.029 158 K CB 0.580 33.255 32.500 0.292 0.000 1.317 158 K HN 0.577 nan 8.250 nan 0.000 0.555 159 I N 0.725 121.313 120.570 0.031 0.000 2.179 159 I HA -0.286 3.885 4.170 0.001 0.000 0.242 159 I C 2.078 178.136 176.117 -0.099 0.000 1.088 159 I CA 1.541 62.813 61.300 -0.047 0.000 1.357 159 I CB -0.011 37.949 38.000 -0.066 0.000 1.051 159 I HN 0.443 nan 8.210 nan 0.000 0.409 160 E N 0.355 120.517 120.200 -0.064 0.000 2.047 160 E HA -0.238 4.113 4.350 0.001 0.000 0.191 160 E C 2.195 178.746 176.600 -0.082 0.000 0.987 160 E CA 1.169 57.527 56.400 -0.070 0.000 0.799 160 E CB -0.150 29.527 29.700 -0.039 0.000 0.752 160 E HN 0.443 nan 8.360 nan 0.000 0.449 161 E N -0.473 119.693 120.200 -0.057 0.000 2.118 161 E HA -0.287 4.064 4.350 0.001 0.000 0.195 161 E C 1.976 178.392 176.600 -0.307 0.000 0.992 161 E CA 1.264 57.636 56.400 -0.048 0.000 0.804 161 E CB -0.109 29.650 29.700 0.098 0.000 0.741 161 E HN 0.485 nan 8.360 nan 0.000 0.458 162 H N -0.145 118.471 119.070 -0.758 0.000 2.293 162 H HA -0.103 4.453 4.556 0.001 0.000 0.300 162 H C 2.308 177.273 175.328 -0.605 0.000 1.082 162 H CA 1.451 56.697 56.048 -1.338 0.000 1.308 162 H CB 0.032 29.265 29.762 -0.881 0.000 1.375 162 H HN 0.137 nan 8.280 nan 0.000 0.495 163 L N 0.343 121.428 121.223 -0.230 0.000 2.083 163 L HA -0.161 4.180 4.340 0.001 0.000 0.209 163 L C 2.957 179.768 176.870 -0.098 0.000 1.083 163 L CA 0.903 55.632 54.840 -0.186 0.000 0.752 163 L CB -0.411 41.539 42.059 -0.181 0.000 0.899 163 L HN 0.430 nan 8.230 nan 0.000 0.433 164 A N -0.018 122.750 122.820 -0.086 0.000 1.858 164 A HA -0.251 4.069 4.320 0.001 0.000 0.216 164 A C 2.350 179.936 177.584 0.003 0.000 1.190 164 A CA 1.761 53.779 52.037 -0.032 0.000 0.617 164 A CB -0.504 18.488 19.000 -0.013 0.000 0.827 164 A HN 0.260 nan 8.150 nan 0.000 0.443 165 R N -0.049 120.458 120.500 0.011 0.000 2.117 165 R HA -0.109 4.232 4.340 0.001 0.000 0.243 165 R C 1.822 178.172 176.300 0.084 0.000 1.143 165 R CA 1.988 58.155 56.100 0.112 0.000 0.968 165 R CB -1.200 29.278 30.300 0.296 0.000 0.863 165 R HN 0.296 nan 8.270 nan 0.000 0.444 166 V N 0.913 120.856 119.914 0.049 0.000 2.343 166 V HA -0.183 3.937 4.120 0.001 0.000 0.247 166 V C 2.079 178.172 176.094 -0.001 0.000 1.051 166 V CA 2.025 64.342 62.300 0.029 0.000 1.036 166 V CB -0.440 31.390 31.823 0.012 0.000 0.654 166 V HN 0.311 nan 8.190 nan 0.000 0.451 167 E N 0.146 120.342 120.200 -0.006 0.000 2.158 167 E HA -0.037 4.314 4.350 0.001 0.000 0.191 167 E C 2.333 178.936 176.600 0.005 0.000 0.982 167 E CA 1.234 57.629 56.400 -0.008 0.000 0.823 167 E CB -0.524 29.169 29.700 -0.013 0.000 0.766 167 E HN 0.550 nan 8.360 nan 0.000 0.468 168 A N 1.133 123.967 122.820 0.022 0.000 1.865 168 A HA -0.162 4.158 4.320 0.001 0.000 0.217 168 A C 2.598 180.203 177.584 0.035 0.000 1.191 168 A CA 1.726 53.787 52.037 0.040 0.000 0.623 168 A CB -0.824 18.216 19.000 0.068 0.000 0.826 168 A HN 0.141 nan 8.150 nan 0.000 0.444 169 V N -0.115 119.809 119.914 0.017 0.000 2.407 169 V HA -0.218 3.902 4.120 0.001 0.000 0.248 169 V C 2.745 178.796 176.094 -0.071 0.000 1.055 169 V CA 2.424 64.694 62.300 -0.051 0.000 1.049 169 V CB -1.240 30.474 31.823 -0.181 0.000 0.662 169 V HN 0.644 nan 8.190 nan 0.000 0.455 170 T N -0.553 113.971 114.554 -0.050 0.000 2.708 170 T HA -0.225 4.126 4.350 0.001 0.000 0.266 170 T C 2.017 176.709 174.700 -0.012 0.000 1.037 170 T CA 1.732 63.809 62.100 -0.038 0.000 1.146 170 T CB -0.203 68.648 68.868 -0.028 0.000 0.865 170 T HN 0.250 nan 8.240 nan 0.000 0.435 171 K N 1.324 121.725 120.400 0.001 0.000 2.002 171 K HA -0.077 4.244 4.320 0.001 0.000 0.209 171 K C 2.289 178.904 176.600 0.025 0.000 1.048 171 K CA 1.602 57.897 56.287 0.013 0.000 0.930 171 K CB -0.349 32.161 32.500 0.016 0.000 0.714 171 K HN 0.450 nan 8.250 nan 0.000 0.438 172 E N -0.066 120.157 120.200 0.038 0.000 2.058 172 E HA -0.190 4.161 4.350 0.001 0.000 0.194 172 E C 1.930 178.572 176.600 0.071 0.000 0.997 172 E CA 1.615 58.054 56.400 0.065 0.000 0.801 172 E CB -0.127 29.636 29.700 0.104 0.000 0.746 172 E HN 0.344 nan 8.360 nan 0.000 0.450 173 I N 1.072 121.676 120.570 0.057 0.000 2.315 173 I HA -0.221 3.949 4.170 0.001 0.000 0.248 173 I C 2.722 178.864 176.117 0.041 0.000 1.117 173 I CA 0.995 62.333 61.300 0.063 0.000 1.404 173 I CB -0.419 37.599 38.000 0.029 0.000 1.071 173 I HN 0.273 nan 8.210 nan 0.000 0.419 174 E N 1.154 121.369 120.200 0.025 0.000 2.058 174 E HA -0.256 4.095 4.350 0.001 0.000 0.194 174 E C 2.159 178.773 176.600 0.023 0.000 0.997 174 E CA 2.555 58.967 56.400 0.019 0.000 0.801 174 E CB -0.012 29.695 29.700 0.012 0.000 0.746 174 E HN 0.572 nan 8.360 nan 0.000 0.450 175 T N -2.004 112.567 114.554 0.027 0.000 2.809 175 T HA -0.083 4.267 4.350 0.001 0.000 0.260 175 T C 2.160 176.878 174.700 0.030 0.000 1.039 175 T CA 1.950 64.066 62.100 0.027 0.000 1.141 175 T CB -0.684 68.201 68.868 0.027 0.000 0.869 175 T HN 0.229 nan 8.240 nan 0.000 0.437 176 T N -2.095 112.484 114.554 0.040 0.000 3.037 176 T HA 0.454 4.805 4.350 0.001 0.000 0.251 176 T C 1.928 176.653 174.700 0.042 0.000 1.079 176 T CA 0.820 62.944 62.100 0.040 0.000 1.067 176 T CB -0.360 68.537 68.868 0.048 0.000 0.948 176 T HN 1.064 nan 8.240 nan 0.000 0.496 177 G N 0.043 108.873 108.800 0.050 0.000 2.157 177 G HA2 -0.166 3.795 3.960 0.001 0.000 0.248 177 G HA3 -0.166 3.795 3.960 0.001 0.000 0.248 177 G C 0.212 175.154 174.900 0.071 0.000 0.979 177 G CA 0.590 45.720 45.100 0.050 0.000 0.650 177 G HN 1.062 nan 8.290 nan 0.000 0.529 178 T N -1.661 112.955 114.554 0.103 0.000 2.658 178 T HA 0.656 5.006 4.350 0.001 0.000 0.306 178 T C -1.516 173.333 174.700 0.249 0.000 1.544 178 T CA 0.511 62.702 62.100 0.153 0.000 0.991 178 T CB 1.072 69.968 68.868 0.047 0.000 1.774 178 T HN 1.670 nan 8.240 nan 0.000 0.479 179 Y N -0.550 119.759 120.300 0.015 0.000 2.705 179 Y HA 0.849 5.400 4.550 0.001 0.000 0.332 179 Y C -1.525 174.397 175.900 0.036 0.000 1.221 179 Y CA -1.120 57.000 58.100 0.033 0.000 1.059 179 Y CB 0.896 39.389 38.460 0.054 0.000 1.298 179 Y HN 0.488 nan 8.280 nan 0.000 0.459 180 Q N 1.388 121.213 119.800 0.042 0.000 2.375 180 Q HA 0.465 4.806 4.340 0.001 0.000 0.271 180 Q C -1.529 174.493 176.000 0.038 0.000 1.074 180 Q CA -0.994 54.778 55.803 -0.050 0.000 0.808 180 Q CB 3.175 31.927 28.738 0.022 0.000 1.327 180 Q HN 0.673 nan 8.270 nan 0.000 0.441 181 L N 1.445 122.664 121.223 -0.007 0.000 2.399 181 L HA 0.350 4.691 4.340 0.001 0.000 0.266 181 L C 1.115 178.013 176.870 0.047 0.000 1.114 181 L CA 0.107 54.984 54.840 0.063 0.000 0.804 181 L CB 0.840 42.902 42.059 0.006 0.000 1.146 181 L HN 0.760 nan 8.230 nan 0.000 0.451 182 T N -1.439 113.141 114.554 0.043 0.000 2.788 182 T HA 0.328 4.679 4.350 0.001 0.000 0.287 182 T C 1.303 175.989 174.700 -0.024 0.000 1.007 182 T CA -0.108 62.004 62.100 0.019 0.000 1.005 182 T CB 0.754 69.638 68.868 0.028 0.000 1.012 182 T HN 0.667 nan 8.240 nan 0.000 0.530 183 G N -0.193 108.595 108.800 -0.020 0.000 2.422 183 G HA2 -0.121 3.840 3.960 0.001 0.000 0.218 183 G HA3 -0.121 3.840 3.960 0.001 0.000 0.218 183 G C 1.247 176.121 174.900 -0.043 0.000 1.140 183 G CA 0.436 45.512 45.100 -0.040 0.000 0.775 183 G HN 0.789 nan 8.290 nan 0.000 0.545 184 D N 0.571 120.955 120.400 -0.027 0.000 2.149 184 D HA -0.042 4.599 4.640 0.001 0.000 0.201 184 D C 2.426 178.670 176.300 -0.093 0.000 0.972 184 D CA 0.641 54.645 54.000 0.007 0.000 0.835 184 D CB -0.058 40.803 40.800 0.103 0.000 0.966 184 D HN 0.433 nan 8.370 nan 0.000 0.476 185 E N 0.171 120.190 120.200 -0.301 0.000 2.153 185 E HA -0.162 4.188 4.350 0.001 0.000 0.194 185 E C 2.045 178.661 176.600 0.026 0.000 0.988 185 E CA 0.319 56.484 56.400 -0.392 0.000 0.811 185 E CB 0.045 29.584 29.700 -0.269 0.000 0.746 185 E HN 0.124 nan 8.360 nan 0.000 0.466 186 L N 0.846 122.038 121.223 -0.050 0.000 2.072 186 L HA -0.094 4.247 4.340 0.001 0.000 0.205 186 L C 2.035 178.864 176.870 -0.068 0.000 1.079 186 L CA 1.252 56.023 54.840 -0.116 0.000 0.752 186 L CB -0.084 41.860 42.059 -0.192 0.000 0.906 186 L HN 0.089 nan 8.230 nan 0.000 0.436 187 I N -1.228 119.331 120.570 -0.017 0.000 2.163 187 I HA -0.342 3.829 4.170 0.001 0.000 0.243 187 I C 2.365 178.542 176.117 0.101 0.000 1.085 187 I CA 1.743 63.050 61.300 0.013 0.000 1.347 187 I CB -0.448 37.575 38.000 0.037 0.000 1.044 187 I HN 0.319 nan 8.210 nan 0.000 0.408 188 F N 1.916 121.906 119.950 0.067 0.000 2.075 188 F HA -0.237 4.291 4.527 0.001 0.000 0.297 188 F C 2.506 178.391 175.800 0.142 0.000 1.113 188 F CA 1.647 59.745 58.000 0.164 0.000 1.218 188 F CB -0.431 38.717 39.000 0.247 0.000 0.984 188 F HN -0.008 nan 8.300 nan 0.000 0.472 189 A N -0.203 122.713 122.820 0.160 0.000 1.978 189 A HA -0.199 4.122 4.320 0.001 0.000 0.220 189 A C 2.202 179.647 177.584 -0.232 0.000 1.170 189 A CA 2.451 54.456 52.037 -0.053 0.000 0.636 189 A CB -1.609 17.306 19.000 -0.143 0.000 0.810 189 A HN 0.591 nan 8.150 nan 0.000 0.448 190 T N -2.531 111.923 114.554 -0.168 0.000 2.937 190 T HA 0.007 4.358 4.350 0.001 0.000 0.260 190 T C 1.792 176.481 174.700 -0.017 0.000 1.051 190 T CA 1.266 63.293 62.100 -0.122 0.000 1.141 190 T CB -0.188 68.632 68.868 -0.079 0.000 0.879 190 T HN 0.491 nan 8.240 nan 0.000 0.459 191 K N 0.444 120.856 120.400 0.019 0.000 2.155 191 K HA 0.017 4.337 4.320 0.001 0.000 0.203 191 K C 2.568 179.190 176.600 0.036 0.000 1.052 191 K CA 0.969 57.376 56.287 0.201 0.000 0.948 191 K CB -0.119 32.546 32.500 0.274 0.000 0.728 191 K HN 0.224 nan 8.250 nan 0.000 0.448 192 Q N 0.804 120.437 119.800 -0.278 0.000 2.049 192 Q HA -0.011 4.329 4.340 0.001 0.000 0.198 192 Q C 1.866 177.651 176.000 -0.359 0.000 0.971 192 Q CA 1.735 57.257 55.803 -0.470 0.000 0.833 192 Q CB -0.223 28.085 28.738 -0.718 0.000 0.896 192 Q HN 0.294 nan 8.270 nan 0.000 0.434 193 A N -0.641 121.944 122.820 -0.392 0.000 2.019 193 A HA -0.165 4.155 4.320 0.001 0.000 0.219 193 A C 1.781 179.125 177.584 -0.400 0.000 1.164 193 A CA 1.336 53.019 52.037 -0.590 0.000 0.644 193 A CB -1.035 17.259 19.000 -1.177 0.000 0.805 193 A HN 0.679 nan 8.150 nan 0.000 0.449 194 W N 0.867 121.986 121.300 -0.302 0.000 2.378 194 W HA -0.077 4.583 4.660 0.001 0.000 0.313 194 W C 2.249 178.645 176.519 -0.204 0.000 1.197 194 W CA 1.426 58.700 57.345 -0.119 0.000 1.304 194 W CB -0.764 28.658 29.460 -0.063 0.000 1.148 194 W HN 0.310 nan 8.180 nan 0.000 0.494 195 R N 0.225 120.605 120.500 -0.200 0.000 2.139 195 R HA -0.184 4.157 4.340 0.001 0.000 0.243 195 R C 0.799 176.938 176.300 -0.268 0.000 1.145 195 R CA 1.598 57.428 56.100 -0.451 0.000 0.976 195 R CB -0.466 29.357 30.300 -0.795 0.000 0.866 195 R HN 0.099 nan 8.270 nan 0.000 0.449 196 N N -0.299 118.267 118.700 -0.224 0.000 2.295 196 N HA 0.098 4.839 4.740 0.001 0.000 0.221 196 N C -1.060 174.370 175.510 -0.134 0.000 1.129 196 N CA 0.150 53.112 53.050 -0.147 0.000 0.836 196 N CB 1.362 39.799 38.487 -0.084 0.000 1.040 196 N HN 0.113 nan 8.380 nan 0.000 0.494 197 A N 1.014 123.745 122.820 -0.147 0.000 2.294 197 A HA 0.464 4.785 4.320 0.001 0.000 0.316 197 A C -1.525 176.015 177.584 -0.073 0.000 1.359 197 A CA -1.239 50.678 52.037 -0.200 0.000 0.956 197 A CB 0.958 19.908 19.000 -0.083 0.000 1.155 197 A HN -0.034 nan 8.150 nan 0.000 0.544 198 P HA -0.114 nan 4.420 nan 0.000 0.217 198 P C 1.040 178.345 177.300 0.010 0.000 1.150 198 P CA 1.094 64.189 63.100 -0.008 0.000 0.832 198 P CB 0.155 31.844 31.700 -0.018 0.000 0.787 199 R N -1.648 118.808 120.500 -0.074 0.000 2.328 199 R HA 0.116 4.457 4.340 0.001 0.000 0.200 199 R C 0.289 176.646 176.300 0.096 0.000 0.983 199 R CA -0.063 56.026 56.100 -0.018 0.000 1.062 199 R CB -0.857 29.209 30.300 -0.390 0.000 0.956 199 R HN 0.216 nan 8.270 nan 0.000 0.479 200 C N 0.336 119.674 119.300 0.064 0.000 2.295 200 C HA 0.357 4.817 4.460 0.001 0.000 0.331 200 C C 1.583 176.615 174.990 0.069 0.000 1.280 200 C CA -0.873 58.208 59.018 0.105 0.000 1.746 200 C CB -0.021 27.822 27.740 0.173 0.000 2.328 200 C HN 0.558 nan 8.230 nan 0.000 0.521 201 I N 4.004 124.581 120.570 0.012 0.000 3.603 201 I HA 0.236 4.407 4.170 0.001 0.000 0.297 201 I C 1.881 178.086 176.117 0.147 0.000 1.269 201 I CA 0.972 62.231 61.300 -0.069 0.000 1.361 201 I CB 0.173 38.087 38.000 -0.145 0.000 1.063 201 I HN 0.908 nan 8.210 nan 0.000 0.448 202 G N 0.081 108.954 108.800 0.121 0.000 3.314 202 G HA2 0.010 3.971 3.960 0.001 0.000 0.238 202 G HA3 0.010 3.971 3.960 0.001 0.000 0.238 202 G C 1.267 176.143 174.900 -0.039 0.000 1.184 202 G CA -0.336 44.816 45.100 0.086 0.000 0.806 202 G HN 0.253 nan 8.290 nan 0.000 0.536 203 R N -0.196 120.155 120.500 -0.248 0.000 2.341 203 R HA 0.073 4.413 4.340 0.001 0.000 0.213 203 R C 1.988 177.695 176.300 -0.988 0.000 1.082 203 R CA 0.272 55.825 56.100 -0.912 0.000 1.017 203 R CB -0.186 29.381 30.300 -1.221 0.000 0.860 203 R HN 0.458 nan 8.270 nan 0.000 0.473 204 I N 0.768 121.026 120.570 -0.520 0.000 2.614 204 I HA -0.227 3.943 4.170 0.001 0.000 0.258 204 I C 1.391 177.339 176.117 -0.281 0.000 1.189 204 I CA 1.171 62.348 61.300 -0.204 0.000 1.462 204 I CB 0.164 38.164 38.000 0.001 0.000 1.092 204 I HN 0.186 nan 8.210 nan 0.000 0.442 205 Q N 0.660 120.227 119.800 -0.389 0.000 2.451 205 Q HA -0.135 4.206 4.340 0.001 0.000 0.206 205 Q C 1.709 177.253 176.000 -0.760 0.000 0.947 205 Q CA 0.663 56.247 55.803 -0.365 0.000 0.937 205 Q CB -0.321 28.379 28.738 -0.064 0.000 1.025 205 Q HN 0.793 nan 8.270 nan 0.000 0.511 206 W N 1.334 121.800 121.300 -1.389 0.000 2.285 206 W HA -0.278 4.383 4.660 0.002 0.000 0.290 206 W C 1.009 177.285 176.519 -0.406 0.000 1.217 206 W CA 1.562 58.036 57.345 -1.452 0.000 1.207 206 W CB -1.266 27.527 29.460 -1.112 0.000 1.136 206 W HN 0.158 nan 8.180 nan 0.000 0.546 207 S N -0.034 115.053 115.700 -1.021 0.000 2.548 207 S HA 0.032 4.503 4.470 0.001 0.000 0.215 207 S C 0.222 174.653 174.600 -0.282 0.000 0.976 207 S CA 0.084 57.810 58.200 -0.790 0.000 0.908 207 S CB -0.665 61.831 63.200 -1.174 0.000 0.781 207 S HN 0.326 nan 8.310 nan 0.000 0.519 208 N N 1.517 120.138 118.700 -0.132 0.000 3.091 208 N HA 0.544 5.285 4.740 0.001 0.000 0.255 208 N C -1.486 174.117 175.510 0.155 0.000 1.204 208 N CA -0.289 52.771 53.050 0.016 0.000 0.990 208 N CB 1.006 39.520 38.487 0.045 0.000 1.260 208 N HN 0.196 nan 8.380 nan 0.000 0.502 209 L N 1.638 122.926 121.223 0.109 0.000 2.439 209 L HA 0.371 4.712 4.340 0.001 0.000 0.270 209 L C -1.016 175.819 176.870 -0.058 0.000 0.972 209 L CA -0.795 54.093 54.840 0.080 0.000 0.836 209 L CB 1.795 43.950 42.059 0.160 0.000 1.255 209 L HN 0.218 nan 8.230 nan 0.000 0.404 210 Q N 3.668 123.389 119.800 -0.132 0.000 2.307 210 Q HA 0.499 4.840 4.340 0.001 0.000 0.259 210 Q C -1.580 174.084 176.000 -0.560 0.000 0.998 210 Q CA -0.168 55.392 55.803 -0.405 0.000 0.923 210 Q CB 1.183 29.558 28.738 -0.605 0.000 1.196 210 Q HN 0.512 nan 8.270 nan 0.000 0.416 211 V N 6.050 125.649 119.914 -0.525 0.000 2.350 211 V HA 0.387 4.507 4.120 0.001 0.000 0.276 211 V C -0.563 175.185 176.094 -0.576 0.000 1.028 211 V CA -0.533 61.499 62.300 -0.446 0.000 0.860 211 V CB 0.157 31.822 31.823 -0.264 0.000 0.990 211 V HN 0.646 nan 8.190 nan 0.000 0.453 212 F N 2.791 122.544 119.950 -0.328 0.000 2.391 212 F HA 0.369 4.897 4.527 0.001 0.000 0.359 212 F C 0.533 176.147 175.800 -0.310 0.000 1.122 212 F CA -0.798 57.017 58.000 -0.309 0.000 1.120 212 F CB 1.039 39.838 39.000 -0.335 0.000 1.142 212 F HN 0.435 nan 8.300 nan 0.000 0.483 213 D N 3.378 123.731 120.400 -0.080 0.000 2.339 213 D HA 0.411 5.052 4.640 0.001 0.000 0.241 213 D C -0.092 176.116 176.300 -0.154 0.000 1.183 213 D CA 0.092 54.014 54.000 -0.131 0.000 0.859 213 D CB 1.229 41.975 40.800 -0.089 0.000 1.067 213 D HN 0.620 nan 8.370 nan 0.000 0.484 214 A N 4.423 127.079 122.820 -0.274 0.000 2.643 214 A HA 0.191 4.512 4.320 0.001 0.000 0.295 214 A C 1.370 178.903 177.584 -0.085 0.000 1.065 214 A CA -0.429 51.399 52.037 -0.350 0.000 0.986 214 A CB 0.127 18.615 19.000 -0.853 0.000 1.212 214 A HN 0.500 nan 8.150 nan 0.000 0.516 215 R N 0.313 120.780 120.500 -0.055 0.000 2.280 215 R HA -0.058 4.283 4.340 0.001 0.000 0.207 215 R C 1.895 178.160 176.300 -0.058 0.000 1.043 215 R CA 1.353 57.439 56.100 -0.023 0.000 1.006 215 R CB -0.069 30.251 30.300 0.034 0.000 0.885 215 R HN 0.573 nan 8.270 nan 0.000 0.467 216 S N -0.492 115.202 115.700 -0.010 0.000 2.522 216 S HA -0.030 4.441 4.470 0.001 0.000 0.227 216 S C 1.159 175.772 174.600 0.023 0.000 0.986 216 S CA -0.363 57.845 58.200 0.012 0.000 0.929 216 S CB -0.396 62.836 63.200 0.054 0.000 0.769 216 S HN 0.361 nan 8.310 nan 0.000 0.529 217 C N 3.183 122.502 119.300 0.033 0.000 2.692 217 C HA 0.357 4.818 4.460 0.001 0.000 0.409 217 C C 1.866 176.885 174.990 0.048 0.000 1.284 217 C CA 0.674 59.745 59.018 0.088 0.000 1.909 217 C CB 0.186 28.002 27.740 0.126 0.000 2.713 217 C HN 0.732 nan 8.230 nan 0.000 0.649 218 S N 0.966 116.827 115.700 0.269 0.000 2.617 218 S HA 0.208 4.679 4.470 0.001 0.000 0.278 218 S C 0.134 174.940 174.600 0.343 0.000 1.082 218 S CA 0.423 58.862 58.200 0.400 0.000 1.228 218 S CB -0.101 63.225 63.200 0.209 0.000 1.130 218 S HN 1.090 nan 8.310 nan 0.000 0.621 219 T N -1.349 113.349 114.554 0.240 0.000 2.916 219 T HA 0.855 5.205 4.350 0.001 0.000 0.292 219 T C 1.194 175.922 174.700 0.047 0.000 1.064 219 T CA -0.197 61.969 62.100 0.110 0.000 1.011 219 T CB 1.480 70.402 68.868 0.090 0.000 1.152 219 T HN 0.256 nan 8.240 nan 0.000 0.510 220 A N 1.052 123.874 122.820 0.003 0.000 1.902 220 A HA -0.030 4.291 4.320 0.001 0.000 0.217 220 A C 2.408 179.825 177.584 -0.279 0.000 1.181 220 A CA 1.063 53.056 52.037 -0.073 0.000 0.623 220 A CB -0.779 18.323 19.000 0.171 0.000 0.818 220 A HN 0.752 nan 8.150 nan 0.000 0.443 221 R N 0.108 120.594 120.500 -0.024 0.000 2.091 221 R HA -0.146 4.194 4.340 0.001 0.000 0.238 221 R C 1.928 178.199 176.300 -0.048 0.000 1.136 221 R CA 2.002 58.094 56.100 -0.013 0.000 0.959 221 R CB -0.554 29.859 30.300 0.190 0.000 0.856 221 R HN 0.760 nan 8.270 nan 0.000 0.437 222 E N -0.356 119.833 120.200 -0.018 0.000 2.077 222 E HA -0.165 4.186 4.350 0.001 0.000 0.193 222 E C 2.169 178.778 176.600 0.015 0.000 0.989 222 E CA 1.485 57.870 56.400 -0.026 0.000 0.800 222 E CB -0.089 29.643 29.700 0.055 0.000 0.746 222 E HN 0.298 nan 8.360 nan 0.000 0.452 223 M N -0.035 119.557 119.600 -0.013 0.000 2.065 223 M HA -0.173 4.308 4.480 0.001 0.000 0.259 223 M C 2.232 178.529 176.300 -0.005 0.000 1.069 223 M CA 1.323 56.578 55.300 -0.075 0.000 1.110 223 M CB -0.396 31.963 32.600 -0.400 0.000 1.328 223 M HN 0.135 nan 8.290 nan 0.000 0.405 224 F N 1.611 121.321 119.950 -0.400 0.000 2.120 224 F HA -0.249 4.279 4.527 0.001 0.000 0.300 224 F C 2.057 177.749 175.800 -0.179 0.000 1.095 224 F CA 1.943 59.685 58.000 -0.430 0.000 1.249 224 F CB -0.418 38.045 39.000 -0.895 0.000 0.995 224 F HN 0.189 nan 8.300 nan 0.000 0.480 225 E N -1.395 118.568 120.200 -0.395 0.000 2.107 225 E HA -0.182 4.168 4.350 0.001 0.000 0.191 225 E C 2.030 178.451 176.600 -0.297 0.000 0.982 225 E CA 1.230 57.357 56.400 -0.454 0.000 0.809 225 E CB -0.388 29.140 29.700 -0.287 0.000 0.756 225 E HN 0.619 nan 8.360 nan 0.000 0.459 226 H N 0.538 119.535 119.070 -0.122 0.000 2.353 226 H HA -0.065 4.491 4.556 0.001 0.000 0.300 226 H C 2.177 177.432 175.328 -0.121 0.000 1.090 226 H CA 1.221 57.228 56.048 -0.068 0.000 1.327 226 H CB 0.108 29.981 29.762 0.185 0.000 1.383 226 H HN 0.070 nan 8.280 nan 0.000 0.508 227 I N -0.279 120.347 120.570 0.094 0.000 2.163 227 I HA -0.351 3.820 4.170 0.001 0.000 0.243 227 I C 2.264 178.294 176.117 -0.144 0.000 1.085 227 I CA 0.872 62.173 61.300 0.002 0.000 1.347 227 I CB -0.279 37.740 38.000 0.033 0.000 1.044 227 I HN 0.430 nan 8.210 nan 0.000 0.408 228 C N 0.237 119.358 119.300 -0.299 0.000 2.413 228 C HA -0.167 4.294 4.460 0.001 0.000 0.277 228 C C 2.980 177.847 174.990 -0.205 0.000 1.265 228 C CA 0.962 59.793 59.018 -0.311 0.000 1.752 228 C CB -1.242 26.188 27.740 -0.516 0.000 1.998 228 C HN 0.457 nan 8.230 nan 0.000 0.489 229 R N -0.277 120.085 120.500 -0.229 0.000 2.092 229 R HA -0.142 4.199 4.340 0.001 0.000 0.231 229 R C 2.175 178.309 176.300 -0.276 0.000 1.119 229 R CA 1.689 57.640 56.100 -0.249 0.000 0.970 229 R CB -0.572 29.528 30.300 -0.333 0.000 0.864 229 R HN 0.774 nan 8.270 nan 0.000 0.440 230 H N -0.479 118.311 119.070 -0.466 0.000 2.256 230 H HA -0.108 4.449 4.556 0.001 0.000 0.299 230 H C 1.963 177.275 175.328 -0.026 0.000 1.071 230 H CA 1.865 57.715 56.048 -0.330 0.000 1.280 230 H CB 0.065 29.688 29.762 -0.231 0.000 1.370 230 H HN 0.042 nan 8.280 nan 0.000 0.490 231 V N 1.277 121.220 119.914 0.048 0.000 2.370 231 V HA -0.324 3.797 4.120 0.001 0.000 0.252 231 V C 2.647 178.774 176.094 0.054 0.000 1.068 231 V CA 2.327 64.627 62.300 -0.000 0.000 1.061 231 V CB -0.660 31.117 31.823 -0.077 0.000 0.656 231 V HN 0.450 nan 8.190 nan 0.000 0.455 232 R N -1.247 119.280 120.500 0.046 0.000 2.062 232 R HA -0.180 4.161 4.340 0.001 0.000 0.229 232 R C 2.439 178.797 176.300 0.097 0.000 1.128 232 R CA 1.931 58.060 56.100 0.050 0.000 0.960 232 R CB -0.457 29.857 30.300 0.024 0.000 0.855 232 R HN 0.597 nan 8.270 nan 0.000 0.432 233 Y N 1.202 121.548 120.300 0.076 0.000 2.097 233 Y HA -0.217 4.333 4.550 0.001 0.000 0.282 233 Y C 2.322 178.319 175.900 0.161 0.000 1.152 233 Y CA 2.251 60.443 58.100 0.152 0.000 1.136 233 Y CB -0.463 38.185 38.460 0.314 0.000 0.975 233 Y HN 0.027 nan 8.280 nan 0.000 0.498 234 S N -0.563 115.210 115.700 0.122 0.000 2.368 234 S HA -0.181 4.290 4.470 0.001 0.000 0.224 234 S C 1.895 176.494 174.600 -0.001 0.000 1.029 234 S CA 1.709 59.944 58.200 0.058 0.000 0.988 234 S CB -0.686 62.705 63.200 0.318 0.000 0.838 234 S HN 0.598 nan 8.310 nan 0.000 0.462 235 T N 1.919 116.489 114.554 0.027 0.000 2.833 235 T HA -0.078 4.273 4.350 0.001 0.000 0.269 235 T C 1.003 175.692 174.700 -0.019 0.000 1.054 235 T CA 0.951 63.063 62.100 0.020 0.000 1.135 235 T CB -0.654 68.227 68.868 0.022 0.000 0.869 235 T HN 0.464 nan 8.240 nan 0.000 0.466 236 N N 2.078 120.740 118.700 -0.063 0.000 2.701 236 N HA -0.263 4.478 4.740 0.001 0.000 0.257 236 N C -0.625 174.858 175.510 -0.045 0.000 0.969 236 N CA 0.709 53.710 53.050 -0.082 0.000 0.786 236 N CB -1.831 36.565 38.487 -0.152 0.000 0.917 236 N HN 0.395 nan 8.380 nan 0.000 0.541 237 N N -1.867 116.818 118.700 -0.026 0.000 2.735 237 N HA -0.199 4.541 4.740 0.001 0.000 0.248 237 N C 1.180 176.673 175.510 -0.028 0.000 1.083 237 N CA 1.964 55.000 53.050 -0.023 0.000 0.703 237 N CB -1.479 36.995 38.487 -0.022 0.000 1.005 237 N HN 1.040 nan 8.380 nan 0.000 0.550 238 G N -0.468 108.320 108.800 -0.020 0.000 2.284 238 G HA2 -0.343 3.618 3.960 0.001 0.000 0.230 238 G HA3 -0.343 3.618 3.960 0.001 0.000 0.230 238 G C 0.087 174.975 174.900 -0.019 0.000 1.021 238 G CA 0.240 45.328 45.100 -0.020 0.000 0.619 238 G HN 0.557 nan 8.290 nan 0.000 0.510 239 N N 2.274 120.951 118.700 -0.037 0.000 3.124 239 N HA 0.291 5.032 4.740 0.001 0.000 0.284 239 N C 0.958 176.445 175.510 -0.039 0.000 1.209 239 N CA -0.491 52.524 53.050 -0.059 0.000 1.149 239 N CB -0.566 37.883 38.487 -0.064 0.000 1.434 239 N HN 0.396 nan 8.380 nan 0.000 0.529 240 I N 1.520 122.095 120.570 0.009 0.000 2.948 240 I HA -0.136 4.034 4.170 0.001 0.000 0.303 240 I C 0.826 177.063 176.117 0.199 0.000 1.224 240 I CA 0.915 62.285 61.300 0.117 0.000 1.442 240 I CB -0.204 37.947 38.000 0.252 0.000 1.328 240 I HN 0.296 nan 8.210 nan 0.000 0.578 241 R N 3.485 124.082 120.500 0.161 0.000 2.673 241 R HA 0.421 4.762 4.340 0.001 0.000 0.281 241 R C -0.705 175.709 176.300 0.190 0.000 0.991 241 R CA -0.711 55.488 56.100 0.165 0.000 0.896 241 R CB 2.186 32.413 30.300 -0.121 0.000 1.201 241 R HN 0.605 nan 8.270 nan 0.000 0.457 242 S N 1.030 116.833 115.700 0.172 0.000 2.565 242 S HA 0.723 5.194 4.470 0.001 0.000 0.274 242 S C -0.422 174.238 174.600 0.101 0.000 1.309 242 S CA -0.610 57.614 58.200 0.040 0.000 1.043 242 S CB 1.619 64.725 63.200 -0.157 0.000 0.939 242 S HN 0.720 nan 8.310 nan 0.000 0.504 243 A N 1.940 124.792 122.820 0.053 0.000 2.605 243 A HA 0.759 5.080 4.320 0.001 0.000 0.294 243 A C -1.305 176.196 177.584 -0.139 0.000 1.062 243 A CA -0.678 51.315 52.037 -0.074 0.000 0.682 243 A CB 0.983 19.992 19.000 0.015 0.000 1.278 243 A HN 0.833 nan 8.150 nan 0.000 0.410 244 I N 0.123 120.554 120.570 -0.233 0.000 2.934 244 I HA 0.776 4.946 4.170 0.001 0.000 0.306 244 I C -1.054 174.973 176.117 -0.149 0.000 1.110 244 I CA -0.405 60.848 61.300 -0.078 0.000 1.019 244 I CB 2.520 40.474 38.000 -0.076 0.000 1.227 244 I HN 0.596 nan 8.210 nan 0.000 0.434 245 T N 5.224 119.728 114.554 -0.085 0.000 2.847 245 T HA 0.411 4.761 4.350 0.001 0.000 0.291 245 T C -0.895 173.512 174.700 -0.488 0.000 0.998 245 T CA -0.313 61.628 62.100 -0.266 0.000 0.967 245 T CB 1.327 70.022 68.868 -0.288 0.000 0.954 245 T HN 0.269 nan 8.240 nan 0.000 0.441 246 V N 5.380 125.022 119.914 -0.453 0.000 2.333 246 V HA 0.483 4.604 4.120 0.001 0.000 0.274 246 V C -0.278 175.611 176.094 -0.341 0.000 1.028 246 V CA -0.754 61.322 62.300 -0.373 0.000 0.851 246 V CB -0.226 31.370 31.823 -0.378 0.000 1.000 246 V HN 0.668 nan 8.190 nan 0.000 0.456 247 F N 5.327 125.298 119.950 0.034 0.000 2.348 247 F HA 0.531 5.059 4.527 0.001 0.000 0.308 247 F C -1.907 173.913 175.800 0.033 0.000 1.175 247 F CA -2.595 55.394 58.000 -0.019 0.000 1.080 247 F CB 0.103 39.144 39.000 0.068 0.000 1.341 247 F HN 0.271 nan 8.300 nan 0.000 0.518 248 P HA 0.060 nan 4.420 nan 0.000 0.268 248 P C -0.980 176.277 177.300 -0.072 0.000 1.204 248 P CA -0.291 62.727 63.100 -0.138 0.000 0.768 248 P CB 0.250 31.609 31.700 -0.568 0.000 0.842 249 Q N 3.177 122.790 119.800 -0.312 0.000 2.540 249 Q HA 0.041 4.382 4.340 0.001 0.000 0.256 249 Q C 0.119 175.926 176.000 -0.321 0.000 1.084 249 Q CA -0.290 55.032 55.803 -0.801 0.000 0.956 249 Q CB 0.662 28.635 28.738 -1.275 0.000 1.303 249 Q HN 0.333 nan 8.270 nan 0.000 0.509 250 R N 0.677 121.011 120.500 -0.278 0.000 2.590 250 R HA 0.036 4.377 4.340 0.001 0.000 0.274 250 R C 0.204 176.453 176.300 -0.085 0.000 1.061 250 R CA 0.699 56.746 56.100 -0.089 0.000 1.081 250 R CB 0.633 30.893 30.300 -0.066 0.000 0.984 250 R HN 0.951 nan 8.270 nan 0.000 0.448 251 S N 1.837 117.541 115.700 0.007 0.000 2.885 251 S HA -0.015 4.456 4.470 0.001 0.000 0.172 251 S C 0.729 175.350 174.600 0.034 0.000 0.703 251 S CA 0.192 58.401 58.200 0.013 0.000 0.820 251 S CB -0.092 63.137 63.200 0.048 0.000 0.766 251 S HN 0.814 nan 8.310 nan 0.000 0.605 252 D N 0.154 120.608 120.400 0.089 0.000 2.369 252 D HA 0.311 4.951 4.640 0.001 0.000 0.211 252 D C 1.365 177.690 176.300 0.042 0.000 1.077 252 D CA 0.666 54.708 54.000 0.070 0.000 0.842 252 D CB -0.099 40.765 40.800 0.106 0.000 0.947 252 D HN 0.880 nan 8.370 nan 0.000 0.509 253 G N 1.093 109.918 108.800 0.042 0.000 2.179 253 G HA2 -0.351 3.609 3.960 0.001 0.000 0.260 253 G HA3 -0.351 3.609 3.960 0.001 0.000 0.260 253 G C 0.966 175.845 174.900 -0.035 0.000 0.977 253 G CA 0.418 45.522 45.100 0.006 0.000 0.641 253 G HN 0.450 nan 8.290 nan 0.000 0.533 254 K N -0.494 119.862 120.400 -0.075 0.000 2.358 254 K HA 0.270 4.591 4.320 0.001 0.000 0.197 254 K C 0.523 176.757 176.600 -0.610 0.000 1.025 254 K CA 0.245 56.356 56.287 -0.294 0.000 1.104 254 K CB 0.344 32.648 32.500 -0.327 0.000 0.855 254 K HN 0.556 nan 8.250 nan 0.000 0.531 255 H N 0.258 119.346 119.070 0.031 0.000 2.651 255 H HA 0.161 4.718 4.556 0.001 0.000 0.241 255 H C -1.059 174.327 175.328 0.096 0.000 1.225 255 H CA -0.714 55.360 56.048 0.045 0.000 0.942 255 H CB 0.345 30.161 29.762 0.091 0.000 1.996 255 H HN -0.010 nan 8.280 nan 0.000 0.600 256 D N 0.512 120.973 120.400 0.102 0.000 2.414 256 D HA 0.002 4.643 4.640 0.001 0.000 0.242 256 D C -0.197 176.178 176.300 0.126 0.000 1.129 256 D CA 0.441 54.543 54.000 0.170 0.000 0.885 256 D CB 0.687 41.556 40.800 0.115 0.000 1.198 256 D HN 0.175 nan 8.370 nan 0.000 0.437 257 F N 2.370 122.372 119.950 0.086 0.000 2.313 257 F HA 0.346 4.873 4.527 0.001 0.000 0.369 257 F C 0.803 176.668 175.800 0.108 0.000 1.109 257 F CA -0.464 57.565 58.000 0.048 0.000 1.132 257 F CB 0.667 39.685 39.000 0.030 0.000 1.291 257 F HN -0.095 nan 8.300 nan 0.000 0.496 258 R N 1.696 122.319 120.500 0.205 0.000 2.725 258 R HA 0.690 5.031 4.340 0.001 0.000 0.277 258 R C -1.544 174.929 176.300 0.288 0.000 0.987 258 R CA -1.156 55.105 56.100 0.268 0.000 0.901 258 R CB 2.618 33.079 30.300 0.268 0.000 1.207 258 R HN 0.210 nan 8.270 nan 0.000 0.463 259 V N 2.180 122.272 119.914 0.297 0.000 2.432 259 V HA 0.088 4.208 4.120 0.001 0.000 0.275 259 V C 0.158 176.516 176.094 0.440 0.000 1.043 259 V CA -0.340 62.136 62.300 0.293 0.000 0.925 259 V CB 0.992 32.943 31.823 0.213 0.000 0.985 259 V HN 0.795 nan 8.190 nan 0.000 0.466 260 W N 2.049 123.468 121.300 0.198 0.000 2.467 260 W HA 0.025 4.686 4.660 0.002 0.000 0.275 260 W C 1.025 177.777 176.519 0.389 0.000 1.239 260 W CA -0.344 57.224 57.345 0.372 0.000 1.266 260 W CB -0.761 28.996 29.460 0.495 0.000 1.112 260 W HN 0.524 nan 8.180 nan 0.000 0.576 261 N N 0.190 119.117 118.700 0.378 0.000 2.454 261 N HA 0.190 4.930 4.740 0.001 0.000 0.254 261 N C 1.147 176.592 175.510 -0.109 0.000 1.228 261 N CA 0.821 53.791 53.050 -0.134 0.000 0.900 261 N CB 0.595 39.011 38.487 -0.117 0.000 1.089 261 N HN -0.044 nan 8.380 nan 0.000 0.449 262 A N 1.799 124.479 122.820 -0.233 0.000 1.898 262 A HA -0.089 4.232 4.320 0.001 0.000 0.216 262 A C 0.380 177.879 177.584 -0.143 0.000 1.181 262 A CA 1.407 53.371 52.037 -0.121 0.000 0.620 262 A CB -0.107 18.834 19.000 -0.099 0.000 0.819 262 A HN 0.744 nan 8.150 nan 0.000 0.442 263 Q N -2.391 117.296 119.800 -0.188 0.000 2.484 263 Q HA 0.550 4.890 4.340 0.001 0.000 0.285 263 Q C 0.217 176.080 176.000 -0.228 0.000 1.097 263 Q CA -0.852 54.829 55.803 -0.204 0.000 0.802 263 Q CB 1.331 29.971 28.738 -0.164 0.000 1.444 263 Q HN 0.079 nan 8.270 nan 0.000 0.429 264 L N 0.361 121.435 121.223 -0.248 0.000 2.005 264 L HA 0.096 4.437 4.340 0.001 0.000 0.207 264 L C 0.293 176.992 176.870 -0.285 0.000 1.072 264 L CA 1.715 56.417 54.840 -0.231 0.000 0.744 264 L CB -0.064 41.838 42.059 -0.262 0.000 0.895 264 L HN 0.571 nan 8.230 nan 0.000 0.433 265 I N -0.313 119.992 120.570 -0.443 0.000 2.404 265 I HA 0.409 4.580 4.170 0.001 0.000 0.293 265 I C -0.103 175.409 176.117 -1.008 0.000 0.992 265 I CA -0.563 60.321 61.300 -0.694 0.000 1.149 265 I CB 1.426 38.906 38.000 -0.867 0.000 1.315 265 I HN 0.008 nan 8.210 nan 0.000 0.446 266 R N 4.575 124.605 120.500 -0.784 0.000 2.604 266 R HA 0.342 4.683 4.340 0.001 0.000 0.261 266 R C -1.696 174.401 176.300 -0.338 0.000 1.080 266 R CA -0.971 54.787 56.100 -0.570 0.000 0.917 266 R CB 1.799 31.937 30.300 -0.270 0.000 1.252 266 R HN 0.331 nan 8.270 nan 0.000 0.456 267 Y N 0.668 120.983 120.300 0.026 0.000 2.336 267 Y HA 0.474 5.024 4.550 0.001 0.000 0.331 267 Y C 1.223 177.151 175.900 0.047 0.000 1.211 267 Y CA -0.259 57.897 58.100 0.092 0.000 1.346 267 Y CB 0.562 39.167 38.460 0.242 0.000 1.271 267 Y HN 0.631 nan 8.280 nan 0.000 0.538 268 A N 1.161 124.095 122.820 0.190 0.000 2.313 268 A HA 0.675 4.995 4.320 0.001 0.000 0.261 268 A C 0.451 177.940 177.584 -0.158 0.000 1.090 268 A CA 0.197 52.173 52.037 -0.101 0.000 0.807 268 A CB -0.153 18.689 19.000 -0.263 0.000 1.055 268 A HN 0.928 nan 8.150 nan 0.000 0.492 269 G N -0.554 108.046 108.800 -0.334 0.000 2.707 269 G HA2 0.578 4.539 3.960 0.001 0.000 0.299 269 G HA3 0.578 4.539 3.960 0.001 0.000 0.299 269 G C -1.402 173.330 174.900 -0.279 0.000 1.442 269 G CA -0.261 44.725 45.100 -0.190 0.000 1.009 269 G HN 0.509 nan 8.290 nan 0.000 0.515 270 Y N 0.170 120.536 120.300 0.111 0.000 2.485 270 Y HA 0.533 5.084 4.550 0.001 0.000 0.345 270 Y C 0.362 176.330 175.900 0.114 0.000 0.998 270 Y CA -0.944 57.244 58.100 0.146 0.000 1.059 270 Y CB 2.569 41.176 38.460 0.245 0.000 1.234 270 Y HN 0.475 nan 8.280 nan 0.000 0.461 271 Q N 3.826 123.789 119.800 0.271 0.000 2.398 271 Q HA 0.353 4.694 4.340 0.001 0.000 0.251 271 Q C -0.827 175.260 176.000 0.145 0.000 0.999 271 Q CA -0.833 55.066 55.803 0.161 0.000 0.874 271 Q CB 0.648 29.451 28.738 0.108 0.000 1.215 271 Q HN 0.607 nan 8.270 nan 0.000 0.470 272 M N 4.439 124.095 119.600 0.094 0.000 2.240 272 M HA 0.083 4.564 4.480 0.001 0.000 0.317 272 M C -1.631 174.666 176.300 -0.005 0.000 1.087 272 M CA -1.895 53.414 55.300 0.015 0.000 1.176 272 M CB -0.290 32.304 32.600 -0.011 0.000 1.439 272 M HN 0.454 nan 8.290 nan 0.000 0.452 273 P HA -0.165 nan 4.420 nan 0.000 0.218 273 P C 0.390 177.676 177.300 -0.023 0.000 1.146 273 P CA 1.322 64.398 63.100 -0.040 0.000 0.813 273 P CB -0.017 31.639 31.700 -0.072 0.000 0.778 274 D N -2.423 117.963 120.400 -0.022 0.000 2.328 274 D HA 0.119 4.760 4.640 0.001 0.000 0.221 274 D C 1.413 177.712 176.300 -0.001 0.000 1.072 274 D CA 0.374 54.366 54.000 -0.014 0.000 0.850 274 D CB -0.749 40.040 40.800 -0.019 0.000 0.922 274 D HN 0.206 nan 8.370 nan 0.000 0.516 275 G N 0.391 109.196 108.800 0.008 0.000 2.225 275 G HA2 -0.312 3.649 3.960 0.001 0.000 0.254 275 G HA3 -0.312 3.649 3.960 0.001 0.000 0.254 275 G C 0.521 175.435 174.900 0.024 0.000 0.988 275 G CA 0.420 45.531 45.100 0.019 0.000 0.625 275 G HN 0.809 nan 8.290 nan 0.000 0.527 276 S N 0.482 116.193 115.700 0.018 0.000 2.589 276 S HA 0.660 5.131 4.470 0.001 0.000 0.265 276 S C 0.235 174.858 174.600 0.039 0.000 1.342 276 S CA -0.206 58.006 58.200 0.020 0.000 1.005 276 S CB 1.432 64.638 63.200 0.009 0.000 0.909 276 S HN 0.578 nan 8.310 nan 0.000 0.555 277 I N 1.400 121.992 120.570 0.037 0.000 2.436 277 I HA 0.467 4.638 4.170 0.001 0.000 0.289 277 I C 0.093 176.240 176.117 0.050 0.000 1.010 277 I CA -0.455 60.878 61.300 0.055 0.000 1.098 277 I CB 1.731 39.748 38.000 0.029 0.000 1.266 277 I HN 0.817 nan 8.210 nan 0.000 0.434 278 R N 3.554 124.123 120.500 0.115 0.000 2.604 278 R HA 0.773 5.114 4.340 0.001 0.000 0.287 278 R C 0.403 176.781 176.300 0.129 0.000 0.970 278 R CA 0.636 56.806 56.100 0.116 0.000 0.946 278 R CB 1.545 31.946 30.300 0.168 0.000 1.127 278 R HN 0.893 nan 8.270 nan 0.000 0.473 279 G N 2.252 111.062 108.800 0.016 0.000 2.498 279 G HA2 -0.261 3.700 3.960 0.001 0.000 0.245 279 G HA3 -0.261 3.700 3.960 0.001 0.000 0.245 279 G C -1.210 173.502 174.900 -0.313 0.000 1.204 279 G CA 0.124 45.201 45.100 -0.037 0.000 0.933 279 G HN 0.724 nan 8.290 nan 0.000 0.574 280 D N 1.708 122.033 120.400 -0.124 0.000 2.347 280 D HA 0.537 5.178 4.640 0.001 0.000 0.235 280 D C -1.153 175.103 176.300 -0.073 0.000 1.149 280 D CA -1.909 51.996 54.000 -0.158 0.000 0.850 280 D CB 1.386 42.367 40.800 0.301 0.000 1.061 280 D HN 0.002 nan 8.370 nan 0.000 0.487 281 P HA 0.018 nan 4.420 nan 0.000 0.230 281 P C 0.757 178.070 177.300 0.021 0.000 1.158 281 P CA 0.506 63.586 63.100 -0.034 0.000 0.769 281 P CB 0.356 32.031 31.700 -0.042 0.000 0.807 282 A N -0.336 122.515 122.820 0.052 0.000 2.014 282 A HA -0.087 4.233 4.320 0.001 0.000 0.218 282 A C 1.631 179.267 177.584 0.086 0.000 1.163 282 A CA 1.371 53.458 52.037 0.083 0.000 0.652 282 A CB -1.106 17.965 19.000 0.118 0.000 0.808 282 A HN 0.165 nan 8.150 nan 0.000 0.449 283 N N -0.824 117.920 118.700 0.074 0.000 2.235 283 N HA 0.197 4.938 4.740 0.001 0.000 0.209 283 N C 0.981 176.518 175.510 0.044 0.000 1.122 283 N CA 0.123 53.215 53.050 0.069 0.000 0.845 283 N CB 0.579 39.100 38.487 0.057 0.000 1.004 283 N HN 0.161 nan 8.380 nan 0.000 0.499 284 V N 0.747 120.678 119.914 0.028 0.000 2.255 284 V HA -0.270 3.851 4.120 0.001 0.000 0.247 284 V C 2.343 178.442 176.094 0.007 0.000 1.051 284 V CA 1.762 64.067 62.300 0.009 0.000 1.018 284 V CB -0.355 31.487 31.823 0.032 0.000 0.641 284 V HN 0.488 nan 8.190 nan 0.000 0.445 285 E N -0.520 119.697 120.200 0.029 0.000 2.085 285 E HA -0.271 4.079 4.350 0.001 0.000 0.194 285 E C 2.133 178.665 176.600 -0.113 0.000 0.994 285 E CA 1.791 58.185 56.400 -0.010 0.000 0.801 285 E CB -0.178 29.552 29.700 0.050 0.000 0.743 285 E HN 0.585 nan 8.360 nan 0.000 0.453 286 F N 1.152 120.962 119.950 -0.233 0.000 2.186 286 F HA -0.126 4.402 4.527 0.001 0.000 0.299 286 F C 2.371 178.009 175.800 -0.269 0.000 1.090 286 F CA 1.667 59.451 58.000 -0.360 0.000 1.307 286 F CB -0.292 38.535 39.000 -0.287 0.000 1.019 286 F HN -0.043 nan 8.300 nan 0.000 0.489 287 T N -0.364 114.139 114.554 -0.084 0.000 2.821 287 T HA -0.233 4.118 4.350 0.001 0.000 0.267 287 T C 1.747 176.371 174.700 -0.126 0.000 1.046 287 T CA 1.552 63.558 62.100 -0.157 0.000 1.139 287 T CB -0.276 68.474 68.868 -0.196 0.000 0.871 287 T HN 0.220 nan 8.240 nan 0.000 0.454 288 Q N 0.759 120.494 119.800 -0.107 0.000 2.084 288 Q HA -0.035 4.306 4.340 0.001 0.000 0.202 288 Q C 2.097 178.006 176.000 -0.151 0.000 0.978 288 Q CA 1.156 56.918 55.803 -0.069 0.000 0.844 288 Q CB -0.692 28.017 28.738 -0.048 0.000 0.898 288 Q HN 0.452 nan 8.270 nan 0.000 0.426 289 L N -0.346 120.698 121.223 -0.298 0.000 1.989 289 L HA -0.199 4.142 4.340 0.001 0.000 0.211 289 L C 2.211 178.883 176.870 -0.330 0.000 1.071 289 L CA 2.032 56.656 54.840 -0.361 0.000 0.749 289 L CB -1.137 40.567 42.059 -0.591 0.000 0.890 289 L HN 0.383 nan 8.230 nan 0.000 0.431 290 C N -0.109 118.926 119.300 -0.442 0.000 2.391 290 C HA -0.223 4.238 4.460 0.001 0.000 0.276 290 C C 2.751 177.729 174.990 -0.021 0.000 1.217 290 C CA 1.293 60.127 59.018 -0.307 0.000 1.766 290 C CB -1.104 26.376 27.740 -0.433 0.000 2.046 290 C HN 0.629 nan 8.230 nan 0.000 0.475 291 I N 0.811 121.422 120.570 0.068 0.000 2.286 291 I HA -0.178 3.993 4.170 0.001 0.000 0.248 291 I C 1.931 178.048 176.117 0.000 0.000 1.115 291 I CA 1.524 62.900 61.300 0.126 0.000 1.392 291 I CB -0.578 37.498 38.000 0.127 0.000 1.065 291 I HN 0.346 nan 8.210 nan 0.000 0.418 292 D N 0.757 121.115 120.400 -0.071 0.000 2.264 292 D HA -0.043 4.598 4.640 0.001 0.000 0.208 292 D C 1.689 177.901 176.300 -0.146 0.000 0.966 292 D CA 1.015 54.944 54.000 -0.117 0.000 0.864 292 D CB -0.026 40.677 40.800 -0.161 0.000 0.933 292 D HN 0.331 nan 8.370 nan 0.000 0.499 293 L N -0.395 120.746 121.223 -0.137 0.000 2.783 293 L HA 0.275 4.616 4.340 0.001 0.000 0.236 293 L C 1.315 178.135 176.870 -0.083 0.000 1.225 293 L CA -0.030 54.727 54.840 -0.139 0.000 1.026 293 L CB -0.048 41.917 42.059 -0.157 0.000 1.314 293 L HN 0.070 nan 8.230 nan 0.000 0.489 294 G N -0.828 107.941 108.800 -0.052 0.000 2.179 294 G HA2 -0.327 3.633 3.960 0.001 0.000 0.260 294 G HA3 -0.327 3.633 3.960 0.001 0.000 0.260 294 G C -0.015 174.906 174.900 0.035 0.000 0.977 294 G CA -0.094 44.988 45.100 -0.030 0.000 0.641 294 G HN 0.446 nan 8.290 nan 0.000 0.533 295 W N 2.088 123.309 121.300 -0.132 0.000 2.190 295 W HA 0.566 5.227 4.660 0.001 0.000 0.330 295 W C 0.669 177.134 176.519 -0.091 0.000 1.299 295 W CA -0.299 56.979 57.345 -0.112 0.000 1.215 295 W CB 0.608 30.002 29.460 -0.110 0.000 1.147 295 W HN 0.121 nan 8.180 nan 0.000 0.563 296 K N 8.744 128.707 120.400 -0.729 0.000 2.284 296 K HA 0.218 4.539 4.320 0.001 0.000 0.287 296 K C -2.113 173.672 176.600 -1.358 0.000 1.081 296 K CA -1.679 54.155 56.287 -0.755 0.000 0.910 296 K CB 0.517 32.718 32.500 -0.499 0.000 1.088 296 K HN 0.221 nan 8.250 nan 0.000 0.478 297 P HA 0.018 nan 4.420 nan 0.000 0.267 297 P C -0.877 175.827 177.300 -0.993 0.000 1.205 297 P CA 0.078 62.524 63.100 -1.090 0.000 0.765 297 P CB 0.842 31.971 31.700 -0.951 0.000 0.828 298 K N 1.785 121.737 120.400 -0.745 0.000 2.353 298 K HA 0.076 4.396 4.320 0.001 0.000 0.195 298 K C -0.150 176.218 176.600 -0.388 0.000 1.031 298 K CA -0.109 55.938 56.287 -0.400 0.000 1.079 298 K CB -0.274 32.154 32.500 -0.121 0.000 0.857 298 K HN 0.271 nan 8.250 nan 0.000 0.535 299 Y N -0.034 119.751 120.300 -0.858 0.000 3.978 299 Y HA -0.281 4.270 4.550 0.001 0.000 0.219 299 Y C 0.821 176.456 175.900 -0.441 0.000 1.153 299 Y CA 0.613 58.059 58.100 -1.090 0.000 1.718 299 Y CB -2.266 35.841 38.460 -0.588 0.000 1.541 299 Y HN 0.211 nan 8.280 nan 0.000 0.640 300 G N -0.528 108.258 108.800 -0.025 0.000 2.557 300 G HA2 0.537 4.498 3.960 0.001 0.000 0.302 300 G HA3 0.537 4.498 3.960 0.001 0.000 0.302 300 G C 0.721 175.747 174.900 0.210 0.000 1.311 300 G CA -0.674 44.505 45.100 0.130 0.000 1.030 300 G HN 0.259 nan 8.290 nan 0.000 0.509 301 R N -1.383 119.145 120.500 0.047 0.000 2.140 301 R HA 0.126 4.466 4.340 0.001 0.000 0.213 301 R C -0.043 175.984 176.300 -0.454 0.000 1.059 301 R CA 0.778 56.752 56.100 -0.209 0.000 1.000 301 R CB 0.085 30.110 30.300 -0.459 0.000 0.910 301 R HN 0.375 nan 8.270 nan 0.000 0.455 302 F N 1.097 121.027 119.950 -0.033 0.000 2.542 302 F HA 0.269 4.796 4.527 0.001 0.000 0.323 302 F C -0.866 174.856 175.800 -0.129 0.000 1.411 302 F CA -1.131 56.557 58.000 -0.520 0.000 1.124 302 F CB 0.690 39.205 39.000 -0.810 0.000 1.331 302 F HN -0.296 nan 8.300 nan 0.000 0.560 303 D N 1.554 122.145 120.400 0.318 0.000 2.359 303 D HA 0.215 4.856 4.640 0.001 0.000 0.230 303 D C 0.093 176.666 176.300 0.454 0.000 1.118 303 D CA -0.089 54.162 54.000 0.419 0.000 0.844 303 D CB 2.314 43.434 40.800 0.533 0.000 1.059 303 D HN -0.046 nan 8.370 nan 0.000 0.493 304 V N 3.200 123.353 119.914 0.397 0.000 2.458 304 V HA -0.023 4.097 4.120 0.001 0.000 0.287 304 V C 1.054 177.167 176.094 0.032 0.000 1.009 304 V CA -0.333 62.073 62.300 0.176 0.000 1.091 304 V CB 0.395 32.267 31.823 0.082 0.000 0.960 304 V HN 0.337 nan 8.190 nan 0.000 0.476 305 V N 5.464 125.296 119.914 -0.136 0.000 2.924 305 V HA 0.455 4.576 4.120 0.001 0.000 0.305 305 V C -1.691 174.193 176.094 -0.351 0.000 1.073 305 V CA -1.606 60.438 62.300 -0.425 0.000 1.098 305 V CB 0.564 32.191 31.823 -0.327 0.000 1.000 305 V HN 0.758 nan 8.190 nan 0.000 0.484 306 P HA 0.320 nan 4.420 nan 0.000 0.278 306 P C -0.420 176.823 177.300 -0.094 0.000 1.238 306 P CA -0.514 62.413 63.100 -0.288 0.000 0.794 306 P CB 0.914 32.361 31.700 -0.423 0.000 0.955 307 L N 2.155 123.390 121.223 0.021 0.000 2.455 307 L HA 0.112 4.452 4.340 0.001 0.000 0.272 307 L C 0.434 177.372 176.870 0.114 0.000 1.174 307 L CA -0.221 54.682 54.840 0.106 0.000 0.869 307 L CB 0.347 42.511 42.059 0.174 0.000 1.130 307 L HN 0.144 nan 8.230 nan 0.000 0.474 308 V N 5.985 125.984 119.914 0.140 0.000 2.275 308 V HA 0.313 4.434 4.120 0.001 0.000 0.272 308 V C 0.157 176.233 176.094 -0.030 0.000 1.028 308 V CA -0.339 61.971 62.300 0.018 0.000 0.810 308 V CB 0.975 32.815 31.823 0.029 0.000 1.043 308 V HN 0.482 nan 8.190 nan 0.000 0.453 309 L N 4.345 125.553 121.223 -0.024 0.000 2.289 309 L HA 0.603 4.944 4.340 0.001 0.000 0.285 309 L C 0.007 176.753 176.870 -0.207 0.000 1.049 309 L CA -0.267 54.532 54.840 -0.070 0.000 0.804 309 L CB 1.492 43.519 42.059 -0.054 0.000 1.195 309 L HN 0.570 nan 8.230 nan 0.000 0.428 310 Q N 2.643 122.319 119.800 -0.206 0.000 2.333 310 Q HA 0.701 5.042 4.340 0.001 0.000 0.265 310 Q C -1.334 174.475 176.000 -0.318 0.000 0.989 310 Q CA -0.597 55.061 55.803 -0.242 0.000 0.842 310 Q CB 2.045 30.750 28.738 -0.055 0.000 1.262 310 Q HN 0.785 nan 8.270 nan 0.000 0.451 311 A N 4.142 126.706 122.820 -0.426 0.000 2.343 311 A HA 0.463 4.784 4.320 0.001 0.000 0.316 311 A C -0.034 177.080 177.584 -0.784 0.000 1.104 311 A CA -0.473 51.044 52.037 -0.866 0.000 0.768 311 A CB 0.939 19.640 19.000 -0.497 0.000 1.213 311 A HN 0.992 nan 8.150 nan 0.000 0.456 312 N N 0.636 118.586 118.700 -1.250 0.000 2.708 312 N HA -0.210 4.531 4.740 0.001 0.000 0.251 312 N C 0.957 176.381 175.510 -0.143 0.000 1.123 312 N CA 2.447 55.284 53.050 -0.355 0.000 0.739 312 N CB -0.955 37.490 38.487 -0.071 0.000 1.113 312 N HN 2.239 nan 8.380 nan 0.000 0.561 313 G N -0.696 107.978 108.800 -0.210 0.000 2.153 313 G HA2 -0.366 3.595 3.960 0.001 0.000 0.252 313 G HA3 -0.366 3.595 3.960 0.001 0.000 0.252 313 G C 0.322 175.189 174.900 -0.055 0.000 0.994 313 G CA 0.853 45.889 45.100 -0.106 0.000 0.698 313 G HN 0.599 nan 8.290 nan 0.000 0.521 314 R N 0.078 120.522 120.500 -0.093 0.000 2.583 314 R HA 0.395 4.736 4.340 0.001 0.000 0.268 314 R C -0.147 176.116 176.300 -0.062 0.000 1.101 314 R CA -0.753 55.315 56.100 -0.053 0.000 1.180 314 R CB 0.335 30.589 30.300 -0.077 0.000 1.128 314 R HN 0.164 nan 8.270 nan 0.000 0.568 315 D N 2.777 123.147 120.400 -0.050 0.000 2.472 315 D HA 0.028 4.668 4.640 0.001 0.000 0.237 315 D C -1.965 174.113 176.300 -0.370 0.000 1.141 315 D CA -0.727 53.121 54.000 -0.253 0.000 0.875 315 D CB 0.222 41.051 40.800 0.049 0.000 1.192 315 D HN 0.211 nan 8.370 nan 0.000 0.450 316 P HA 0.144 nan 4.420 nan 0.000 0.274 316 P C -0.676 176.430 177.300 -0.324 0.000 1.246 316 P CA -0.282 62.440 63.100 -0.631 0.000 0.795 316 P CB 1.088 32.013 31.700 -1.290 0.000 1.006 317 E N 0.300 120.384 120.200 -0.193 0.000 2.266 317 E HA 0.417 4.768 4.350 0.001 0.000 0.268 317 E C -0.816 175.666 176.600 -0.196 0.000 0.879 317 E CA -1.020 55.273 56.400 -0.179 0.000 0.762 317 E CB 1.303 30.937 29.700 -0.110 0.000 1.199 317 E HN 0.236 nan 8.360 nan 0.000 0.422 318 L N 2.426 123.431 121.223 -0.363 0.000 2.371 318 L HA 0.405 4.745 4.340 0.001 0.000 0.272 318 L C -0.855 175.640 176.870 -0.624 0.000 1.124 318 L CA 0.493 55.145 54.840 -0.313 0.000 0.816 318 L CB -0.069 41.852 42.059 -0.229 0.000 1.129 318 L HN 0.450 nan 8.230 nan 0.000 0.448 319 F N 0.684 120.473 119.950 -0.269 0.000 2.588 319 F HA 0.371 4.899 4.527 0.001 0.000 0.314 319 F C 0.024 175.637 175.800 -0.311 0.000 1.134 319 F CA -0.759 56.947 58.000 -0.490 0.000 0.961 319 F CB 1.707 40.217 39.000 -0.816 0.000 1.239 319 F HN 0.356 nan 8.300 nan 0.000 0.448 320 E N 2.665 122.807 120.200 -0.096 0.000 2.231 320 E HA 0.582 4.933 4.350 0.001 0.000 0.277 320 E C -0.825 175.901 176.600 0.210 0.000 0.999 320 E CA -0.606 55.830 56.400 0.060 0.000 0.827 320 E CB 1.299 31.059 29.700 0.100 0.000 1.101 320 E HN 0.454 nan 8.360 nan 0.000 0.393 321 I N 5.533 126.242 120.570 0.231 0.000 2.441 321 I HA 0.160 4.331 4.170 0.001 0.000 0.287 321 I C -1.979 174.253 176.117 0.192 0.000 1.049 321 I CA -1.991 59.472 61.300 0.272 0.000 1.381 321 I CB 0.700 38.777 38.000 0.127 0.000 1.409 321 I HN 0.372 nan 8.210 nan 0.000 0.523 322 P HA -0.015 nan 4.420 nan 0.000 0.258 322 P C -2.057 175.297 177.300 0.090 0.000 1.172 322 P CA -0.614 62.565 63.100 0.132 0.000 0.762 322 P CB 0.048 31.809 31.700 0.101 0.000 0.764 323 P HA -0.175 nan 4.420 nan 0.000 0.219 323 P C 0.771 178.103 177.300 0.054 0.000 1.146 323 P CA 1.299 64.444 63.100 0.074 0.000 0.808 323 P CB 0.055 31.802 31.700 0.078 0.000 0.779 324 D N -1.488 118.941 120.400 0.048 0.000 2.351 324 D HA -0.053 4.588 4.640 0.001 0.000 0.216 324 D C 1.584 177.898 176.300 0.024 0.000 0.968 324 D CA 0.798 54.818 54.000 0.033 0.000 0.899 324 D CB -0.328 40.490 40.800 0.031 0.000 0.907 324 D HN 0.219 nan 8.370 nan 0.000 0.514 325 L N -0.397 120.841 121.223 0.025 0.000 2.513 325 L HA 0.105 4.446 4.340 0.001 0.000 0.222 325 L C 0.299 177.172 176.870 0.005 0.000 1.096 325 L CA 0.078 54.924 54.840 0.009 0.000 0.857 325 L CB 0.784 42.842 42.059 -0.002 0.000 1.026 325 L HN -0.217 nan 8.230 nan 0.000 0.469 326 V N 2.374 122.297 119.914 0.015 0.000 2.299 326 V HA 0.095 4.216 4.120 0.001 0.000 0.255 326 V C 0.151 176.261 176.094 0.026 0.000 1.100 326 V CA -0.449 61.856 62.300 0.010 0.000 0.938 326 V CB 0.713 32.544 31.823 0.015 0.000 1.139 326 V HN 0.070 nan 8.190 nan 0.000 0.490 327 L N 5.193 126.430 121.223 0.023 0.000 2.410 327 L HA 0.408 4.749 4.340 0.001 0.000 0.273 327 L C 0.166 177.051 176.870 0.026 0.000 1.152 327 L CA 0.827 55.674 54.840 0.013 0.000 0.855 327 L CB 0.393 42.453 42.059 0.002 0.000 1.129 327 L HN 0.638 nan 8.230 nan 0.000 0.463 328 E N 3.046 123.241 120.200 -0.007 0.000 2.369 328 E HA 0.610 4.960 4.350 0.001 0.000 0.270 328 E C -1.521 175.006 176.600 -0.122 0.000 0.909 328 E CA -1.018 55.373 56.400 -0.015 0.000 0.775 328 E CB 2.443 32.165 29.700 0.037 0.000 1.270 328 E HN 0.391 nan 8.360 nan 0.000 0.445 329 V N 1.447 121.259 119.914 -0.170 0.000 2.448 329 V HA 0.494 4.615 4.120 0.001 0.000 0.295 329 V C -0.388 175.659 176.094 -0.078 0.000 1.025 329 V CA -0.793 61.363 62.300 -0.240 0.000 0.859 329 V CB 1.457 32.908 31.823 -0.620 0.000 0.988 329 V HN 0.787 nan 8.190 nan 0.000 0.431 330 A N 6.848 129.634 122.820 -0.056 0.000 2.354 330 A HA 0.634 4.955 4.320 0.001 0.000 0.281 330 A C 0.102 177.725 177.584 0.065 0.000 1.174 330 A CA -0.397 51.636 52.037 -0.006 0.000 0.828 330 A CB 0.082 19.078 19.000 -0.006 0.000 1.099 330 A HN 0.701 nan 8.150 nan 0.000 0.516 331 M N 3.482 123.165 119.600 0.138 0.000 2.220 331 M HA 0.215 4.696 4.480 0.001 0.000 0.343 331 M C 0.321 176.828 176.300 0.345 0.000 1.470 331 M CA 0.449 55.909 55.300 0.268 0.000 1.161 331 M CB -0.483 32.368 32.600 0.418 0.000 1.737 331 M HN 0.835 nan 8.290 nan 0.000 0.464 332 E N 1.746 122.100 120.200 0.257 0.000 2.317 332 E HA 0.488 4.838 4.350 0.001 0.000 0.270 332 E C -1.489 175.143 176.600 0.054 0.000 0.885 332 E CA -0.881 55.675 56.400 0.258 0.000 0.760 332 E CB 1.973 31.792 29.700 0.199 0.000 1.227 332 E HN 0.669 nan 8.360 nan 0.000 0.434 333 H N 1.902 120.837 119.070 -0.226 0.000 2.467 333 H HA 0.231 4.788 4.556 0.001 0.000 0.331 333 H C -1.590 173.385 175.328 -0.589 0.000 1.120 333 H CA -2.194 53.509 56.048 -0.576 0.000 1.270 333 H CB 1.641 30.978 29.762 -0.708 0.000 1.466 333 H HN 0.376 nan 8.280 nan 0.000 0.504 334 P HA -0.090 nan 4.420 nan 0.000 0.230 334 P C -0.164 176.981 177.300 -0.259 0.000 1.158 334 P CA 1.149 63.831 63.100 -0.697 0.000 0.769 334 P CB 0.385 31.570 31.700 -0.859 0.000 0.807 335 K N -2.876 117.442 120.400 -0.136 0.000 2.550 335 K HA 0.120 4.441 4.320 0.001 0.000 0.205 335 K C 0.042 176.548 176.600 -0.155 0.000 1.429 335 K CA -0.195 55.972 56.287 -0.199 0.000 0.997 335 K CB 0.055 32.392 32.500 -0.271 0.000 1.328 335 K HN -0.113 nan 8.250 nan 0.000 0.546 336 Y N 3.514 123.575 120.300 -0.398 0.000 2.452 336 Y HA 0.229 4.779 4.550 0.001 0.000 0.348 336 Y C 1.243 176.837 175.900 -0.510 0.000 0.985 336 Y CA -1.336 56.353 58.100 -0.685 0.000 1.214 336 Y CB 0.742 38.333 38.460 -1.448 0.000 1.136 336 Y HN 0.051 nan 8.280 nan 0.000 0.523 337 E N 3.444 123.567 120.200 -0.128 0.000 2.072 337 E HA -0.186 4.165 4.350 0.001 0.000 0.191 337 E C 1.996 178.612 176.600 0.027 0.000 0.985 337 E CA 1.117 57.513 56.400 -0.007 0.000 0.801 337 E CB -0.314 29.433 29.700 0.079 0.000 0.750 337 E HN 0.925 nan 8.360 nan 0.000 0.452 338 W N 0.197 121.582 121.300 0.141 0.000 2.560 338 W HA -0.096 4.564 4.660 0.001 0.000 0.252 338 W C 1.513 178.092 176.519 0.101 0.000 1.242 338 W CA -0.040 57.356 57.345 0.086 0.000 1.242 338 W CB -1.091 28.379 29.460 0.018 0.000 1.136 338 W HN -0.089 nan 8.180 nan 0.000 0.625 339 F N 2.608 122.404 119.950 -0.256 0.000 2.146 339 F HA -0.106 4.422 4.527 0.001 0.000 0.298 339 F C 2.717 178.554 175.800 0.061 0.000 1.096 339 F CA 2.190 60.114 58.000 -0.126 0.000 1.275 339 F CB -0.368 38.485 39.000 -0.245 0.000 1.008 339 F HN -0.283 nan 8.300 nan 0.000 0.480 340 R N 0.303 120.922 120.500 0.198 0.000 2.139 340 R HA -0.196 4.145 4.340 0.001 0.000 0.243 340 R C 1.925 178.275 176.300 0.083 0.000 1.145 340 R CA 1.771 57.957 56.100 0.144 0.000 0.976 340 R CB -0.541 29.834 30.300 0.125 0.000 0.866 340 R HN 0.428 nan 8.270 nan 0.000 0.449 341 E N 0.526 120.787 120.200 0.102 0.000 2.268 341 E HA -0.140 4.211 4.350 0.001 0.000 0.195 341 E C 1.730 178.353 176.600 0.038 0.000 0.995 341 E CA 0.638 57.092 56.400 0.089 0.000 0.836 341 E CB -0.017 29.766 29.700 0.139 0.000 0.763 341 E HN 0.378 nan 8.360 nan 0.000 0.491 342 L N 0.639 121.842 121.223 -0.034 0.000 2.201 342 L HA -0.085 4.256 4.340 0.001 0.000 0.212 342 L C 0.388 177.243 176.870 -0.025 0.000 1.105 342 L CA 0.629 55.410 54.840 -0.098 0.000 0.775 342 L CB -0.312 41.543 42.059 -0.340 0.000 0.913 342 L HN 0.131 nan 8.230 nan 0.000 0.440 343 E N 0.741 120.940 120.200 -0.001 0.000 2.287 343 E HA -0.195 4.155 4.350 0.001 0.000 0.229 343 E C -0.600 176.049 176.600 0.081 0.000 1.194 343 E CA 0.111 56.544 56.400 0.054 0.000 0.704 343 E CB -1.657 28.100 29.700 0.095 0.000 1.216 343 E HN 0.399 nan 8.360 nan 0.000 0.381 344 L N 0.436 121.652 121.223 -0.012 0.000 2.331 344 L HA 0.674 5.015 4.340 0.001 0.000 0.268 344 L C 0.389 177.146 176.870 -0.188 0.000 1.015 344 L CA -0.585 54.203 54.840 -0.087 0.000 0.807 344 L CB 1.484 43.428 42.059 -0.192 0.000 1.293 344 L HN 0.181 nan 8.230 nan 0.000 0.451 345 K N -0.658 119.507 120.400 -0.393 0.000 2.658 345 K HA 0.432 4.753 4.320 0.001 0.000 0.293 345 K C -2.210 174.414 176.600 0.041 0.000 1.026 345 K CA -1.032 55.150 56.287 -0.174 0.000 0.871 345 K CB 2.044 34.349 32.500 -0.324 0.000 1.524 345 K HN 0.595 nan 8.250 nan 0.000 0.400 346 W N 2.104 123.388 121.300 -0.028 0.000 3.118 346 W HA 0.361 5.021 4.660 0.001 0.000 0.328 346 W C -1.269 175.306 176.519 0.094 0.000 1.239 346 W CA -0.835 56.542 57.345 0.053 0.000 1.176 346 W CB 1.623 30.995 29.460 -0.146 0.000 1.433 346 W HN 0.697 nan 8.180 nan 0.000 0.562 347 Y N 1.085 121.235 120.300 -0.250 0.000 2.336 347 Y HA 0.511 5.062 4.550 0.001 0.000 0.331 347 Y C 0.761 176.836 175.900 0.292 0.000 1.211 347 Y CA 0.161 58.218 58.100 -0.071 0.000 1.346 347 Y CB 0.334 38.624 38.460 -0.282 0.000 1.271 347 Y HN 0.344 nan 8.280 nan 0.000 0.538 348 A N 2.660 125.702 122.820 0.371 0.000 2.169 348 A HA 0.156 4.477 4.320 0.001 0.000 0.212 348 A C 0.210 178.092 177.584 0.497 0.000 1.153 348 A CA 0.093 52.401 52.037 0.453 0.000 0.756 348 A CB -0.258 18.823 19.000 0.136 0.000 0.813 348 A HN 0.679 nan 8.150 nan 0.000 0.471 349 L N 1.889 123.363 121.223 0.418 0.000 2.295 349 L HA 0.410 4.751 4.340 0.001 0.000 0.281 349 L C -2.549 174.399 176.870 0.130 0.000 1.018 349 L CA -2.103 52.860 54.840 0.205 0.000 0.841 349 L CB 1.869 43.977 42.059 0.080 0.000 1.218 349 L HN -0.048 nan 8.230 nan 0.000 0.424 350 P HA 0.348 nan 4.420 nan 0.000 0.286 350 P C -1.420 175.748 177.300 -0.221 0.000 1.321 350 P CA -0.274 62.609 63.100 -0.362 0.000 0.790 350 P CB 1.396 32.565 31.700 -0.884 0.000 0.897 351 A N 4.337 127.037 122.820 -0.200 0.000 2.385 351 A HA 0.465 4.786 4.320 0.001 0.000 0.290 351 A C -0.560 176.793 177.584 -0.385 0.000 1.094 351 A CA -0.654 51.201 52.037 -0.303 0.000 0.729 351 A CB 1.284 20.102 19.000 -0.305 0.000 1.194 351 A HN 0.295 nan 8.150 nan 0.000 0.442 352 V N 1.957 121.484 119.914 -0.644 0.000 2.498 352 V HA 0.498 4.619 4.120 0.001 0.000 0.279 352 V C 1.074 176.748 176.094 -0.700 0.000 1.048 352 V CA 0.855 62.744 62.300 -0.685 0.000 0.967 352 V CB 1.310 32.581 31.823 -0.919 0.000 0.988 352 V HN 1.229 nan 8.190 nan 0.000 0.473 353 A N 3.826 126.430 122.820 -0.360 0.000 2.551 353 A HA 0.202 4.523 4.320 0.001 0.000 0.252 353 A C 1.111 178.668 177.584 -0.046 0.000 1.199 353 A CA 0.144 52.065 52.037 -0.195 0.000 0.972 353 A CB 0.036 18.964 19.000 -0.120 0.000 1.153 353 A HN 0.792 nan 8.150 nan 0.000 0.559 354 N N -0.585 118.089 118.700 -0.044 0.000 2.204 354 N HA 0.244 4.984 4.740 0.001 0.000 0.219 354 N C 0.071 175.630 175.510 0.082 0.000 1.151 354 N CA -0.124 52.950 53.050 0.040 0.000 0.867 354 N CB -0.235 38.266 38.487 0.024 0.000 1.043 354 N HN 0.374 nan 8.380 nan 0.000 0.516 355 M N 0.464 120.119 119.600 0.091 0.000 2.371 355 M HA 0.367 4.847 4.480 0.001 0.000 0.301 355 M C -0.446 175.994 176.300 0.234 0.000 1.173 355 M CA -0.823 54.586 55.300 0.181 0.000 1.020 355 M CB 1.927 34.647 32.600 0.200 0.000 1.490 355 M HN 0.029 nan 8.290 nan 0.000 0.485 356 L N 1.940 123.328 121.223 0.275 0.000 2.313 356 L HA 0.509 4.850 4.340 0.001 0.000 0.283 356 L C -1.375 175.712 176.870 0.361 0.000 1.013 356 L CA -0.616 54.406 54.840 0.303 0.000 0.816 356 L CB 1.042 43.251 42.059 0.250 0.000 1.236 356 L HN 0.601 nan 8.230 nan 0.000 0.419 357 L N 5.090 126.531 121.223 0.363 0.000 2.290 357 L HA 0.380 4.721 4.340 0.001 0.000 0.284 357 L C -0.339 176.688 176.870 0.262 0.000 1.078 357 L CA -0.073 54.914 54.840 0.246 0.000 0.815 357 L CB 1.039 43.201 42.059 0.172 0.000 1.162 357 L HN 0.682 nan 8.230 nan 0.000 0.435 358 E N 4.757 125.063 120.200 0.176 0.000 2.187 358 E HA 0.478 4.829 4.350 0.001 0.000 0.268 358 E C -1.878 174.759 176.600 0.062 0.000 0.896 358 E CA -0.563 55.962 56.400 0.208 0.000 0.766 358 E CB 2.081 32.023 29.700 0.403 0.000 1.142 358 E HN 0.369 nan 8.360 nan 0.000 0.408 359 V N 2.292 122.216 119.914 0.016 0.000 2.711 359 V HA 0.362 4.483 4.120 0.001 0.000 0.304 359 V C 0.688 176.692 176.094 -0.149 0.000 1.097 359 V CA -0.332 61.843 62.300 -0.208 0.000 0.906 359 V CB 1.660 33.216 31.823 -0.445 0.000 1.015 359 V HN 0.889 nan 8.190 nan 0.000 0.427 360 G N 2.897 111.665 108.800 -0.053 0.000 2.361 360 G HA2 0.056 4.017 3.960 0.001 0.000 0.294 360 G HA3 0.056 4.017 3.960 0.001 0.000 0.294 360 G C 1.327 176.360 174.900 0.222 0.000 1.004 360 G CA 1.408 46.628 45.100 0.200 0.000 0.870 360 G HN 2.527 nan 8.290 nan 0.000 0.510 361 G N -2.659 106.221 108.800 0.134 0.000 2.217 361 G HA2 -0.126 3.835 3.960 0.001 0.000 0.246 361 G HA3 -0.126 3.835 3.960 0.001 0.000 0.246 361 G C 0.325 175.262 174.900 0.061 0.000 0.990 361 G CA 0.426 45.592 45.100 0.110 0.000 0.627 361 G HN 1.196 nan 8.290 nan 0.000 0.522 362 L N 1.767 123.007 121.223 0.028 0.000 2.331 362 L HA 0.538 4.878 4.340 0.001 0.000 0.278 362 L C 0.446 177.278 176.870 -0.064 0.000 1.106 362 L CA -0.199 54.578 54.840 -0.105 0.000 0.824 362 L CB 1.048 42.996 42.059 -0.186 0.000 1.142 362 L HN 0.316 nan 8.230 nan 0.000 0.443 363 E N 3.875 123.976 120.200 -0.165 0.000 2.133 363 E HA 0.311 4.661 4.350 0.001 0.000 0.274 363 E C -1.262 175.199 176.600 -0.231 0.000 0.930 363 E CA -0.216 56.142 56.400 -0.070 0.000 0.770 363 E CB 1.130 30.803 29.700 -0.044 0.000 1.104 363 E HN 0.255 nan 8.360 nan 0.000 0.403 364 F N 4.433 124.411 119.950 0.047 0.000 2.310 364 F HA 0.241 4.769 4.527 0.001 0.000 0.365 364 F C -1.461 174.417 175.800 0.130 0.000 1.080 364 F CA -2.124 55.917 58.000 0.070 0.000 1.187 364 F CB 1.343 40.367 39.000 0.040 0.000 1.465 364 F HN 0.378 nan 8.300 nan 0.000 0.496 365 P HA 0.030 nan 4.420 nan 0.000 0.242 365 P C 0.404 177.873 177.300 0.282 0.000 1.197 365 P CA 0.587 63.820 63.100 0.222 0.000 0.765 365 P CB 0.506 32.302 31.700 0.161 0.000 0.936 366 G N 0.108 109.130 108.800 0.371 0.000 2.760 366 G HA2 0.448 4.409 3.960 0.001 0.000 0.285 366 G HA3 0.448 4.409 3.960 0.001 0.000 0.285 366 G C -0.534 174.597 174.900 0.385 0.000 1.496 366 G CA -0.425 44.956 45.100 0.467 0.000 1.026 366 G HN 0.207 nan 8.290 nan 0.000 0.536 367 C N 0.777 120.226 119.300 0.249 0.000 2.996 367 C HA 0.424 4.885 4.460 0.001 0.000 0.221 367 C C -2.891 172.164 174.990 0.108 0.000 1.122 367 C CA -1.922 57.163 59.018 0.111 0.000 1.040 367 C CB 0.022 27.869 27.740 0.179 0.000 1.804 367 C HN 0.428 nan 8.230 nan 0.000 0.659 368 P HA 0.385 nan 4.420 nan 0.000 0.268 368 P C -0.359 176.990 177.300 0.082 0.000 1.204 368 P CA 0.737 63.805 63.100 -0.054 0.000 0.768 368 P CB 0.161 31.832 31.700 -0.048 0.000 0.842 369 F N 0.696 120.576 119.950 -0.117 0.000 2.629 369 F HA 0.741 5.268 4.527 0.001 0.000 0.316 369 F C -0.602 175.093 175.800 -0.175 0.000 1.081 369 F CA -1.054 56.867 58.000 -0.132 0.000 0.954 369 F CB 1.769 40.525 39.000 -0.406 0.000 1.337 369 F HN 0.267 nan 8.300 nan 0.000 0.474 370 N N -0.129 118.617 118.700 0.077 0.000 2.591 370 N HA 0.706 5.447 4.740 0.001 0.000 0.263 370 N C -1.335 174.098 175.510 -0.129 0.000 1.308 370 N CA -0.477 52.540 53.050 -0.055 0.000 0.837 370 N CB 1.920 40.401 38.487 -0.011 0.000 1.548 370 N HN 1.096 nan 8.380 nan 0.000 0.493 371 G N -0.876 107.814 108.800 -0.184 0.000 3.195 371 G HA2 0.683 4.644 3.960 0.001 0.000 0.217 371 G HA3 0.683 4.644 3.960 0.001 0.000 0.217 371 G C -1.721 173.120 174.900 -0.098 0.000 1.166 371 G CA -0.787 44.131 45.100 -0.304 0.000 0.812 371 G HN 0.691 nan 8.290 nan 0.000 0.617 372 W N -1.715 119.579 121.300 -0.010 0.000 2.762 372 W HA 0.818 5.479 4.660 0.001 0.000 0.355 372 W C -1.338 175.166 176.519 -0.026 0.000 1.124 372 W CA -2.140 55.206 57.345 0.001 0.000 1.141 372 W CB 0.296 29.798 29.460 0.070 0.000 1.432 372 W HN 0.374 nan 8.180 nan 0.000 0.586 373 Y N 2.112 122.621 120.300 0.348 0.000 2.336 373 Y HA 0.246 4.796 4.550 0.001 0.000 0.331 373 Y C 0.697 176.656 175.900 0.098 0.000 1.211 373 Y CA -0.825 57.344 58.100 0.116 0.000 1.346 373 Y CB 1.100 39.512 38.460 -0.079 0.000 1.271 373 Y HN 0.370 nan 8.280 nan 0.000 0.538 374 M N 2.765 122.523 119.600 0.262 0.000 2.180 374 M HA 0.335 4.815 4.480 0.001 0.000 0.350 374 M C 1.176 177.452 176.300 -0.041 0.000 1.125 374 M CA -0.074 55.295 55.300 0.115 0.000 1.031 374 M CB 1.182 33.832 32.600 0.083 0.000 1.623 374 M HN 0.877 nan 8.290 nan 0.000 0.451 375 G N 1.870 110.599 108.800 -0.118 0.000 2.606 375 G HA2 -0.358 3.603 3.960 0.001 0.000 0.221 375 G HA3 -0.358 3.603 3.960 0.001 0.000 0.221 375 G C 1.145 175.873 174.900 -0.287 0.000 1.152 375 G CA 1.984 46.938 45.100 -0.243 0.000 0.765 375 G HN 0.885 nan 8.290 nan 0.000 0.595 376 T N -0.650 113.759 114.554 -0.242 0.000 2.897 376 T HA -0.076 4.275 4.350 0.001 0.000 0.271 376 T C 1.928 176.442 174.700 -0.310 0.000 1.084 376 T CA 1.727 63.640 62.100 -0.312 0.000 1.123 376 T CB -0.330 68.294 68.868 -0.406 0.000 0.865 376 T HN 0.590 nan 8.240 nan 0.000 0.496 377 E N 0.990 121.022 120.200 -0.281 0.000 2.077 377 E HA -0.047 4.304 4.350 0.001 0.000 0.193 377 E C 2.112 178.403 176.600 -0.515 0.000 0.989 377 E CA 1.417 57.654 56.400 -0.271 0.000 0.800 377 E CB -0.304 29.370 29.700 -0.042 0.000 0.746 377 E HN 0.600 nan 8.360 nan 0.000 0.452 378 I N 0.445 120.544 120.570 -0.786 0.000 2.364 378 I HA -0.036 4.134 4.170 0.001 0.000 0.241 378 I C 2.645 178.193 176.117 -0.947 0.000 1.082 378 I CA 0.876 61.432 61.300 -1.241 0.000 1.401 378 I CB -0.579 36.516 38.000 -1.509 0.000 1.126 378 I HN 0.087 nan 8.210 nan 0.000 0.429 379 G N 0.804 109.276 108.800 -0.547 0.000 2.418 379 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 379 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 379 G C 1.597 176.440 174.900 -0.094 0.000 1.158 379 G CA 1.271 46.267 45.100 -0.174 0.000 0.771 379 G HN 0.241 nan 8.290 nan 0.000 0.545 380 V N 0.130 119.927 119.914 -0.195 0.000 2.436 380 V HA 0.076 4.197 4.120 0.001 0.000 0.240 380 V C 2.798 178.811 176.094 -0.135 0.000 1.040 380 V CA 0.955 63.170 62.300 -0.141 0.000 1.052 380 V CB -0.338 31.370 31.823 -0.192 0.000 0.707 380 V HN 0.120 nan 8.190 nan 0.000 0.469 381 R N 0.713 121.086 120.500 -0.210 0.000 2.052 381 R HA -0.039 4.302 4.340 0.001 0.000 0.226 381 R C 1.979 178.190 176.300 -0.149 0.000 1.145 381 R CA 1.554 57.550 56.100 -0.173 0.000 0.952 381 R CB -0.914 29.273 30.300 -0.188 0.000 0.847 381 R HN 0.510 nan 8.270 nan 0.000 0.431 382 D N 0.204 120.399 120.400 -0.341 0.000 2.117 382 D HA -0.098 4.542 4.640 0.001 0.000 0.198 382 D C 1.886 178.197 176.300 0.018 0.000 0.982 382 D CA 1.039 54.832 54.000 -0.345 0.000 0.828 382 D CB -0.111 39.956 40.800 -1.222 0.000 0.967 382 D HN 0.076 nan 8.370 nan 0.000 0.464 383 F N 0.573 120.445 119.950 -0.131 0.000 2.270 383 F HA 0.008 4.535 4.527 0.001 0.000 0.295 383 F C 2.408 178.264 175.800 0.092 0.000 1.087 383 F CA -0.123 57.900 58.000 0.037 0.000 1.365 383 F CB -0.714 38.284 39.000 -0.003 0.000 1.056 383 F HN 0.026 nan 8.300 nan 0.000 0.506 384 C N -1.238 118.190 119.300 0.214 0.000 2.912 384 C HA 0.179 4.639 4.460 0.001 0.000 0.274 384 C C 0.471 175.511 174.990 0.083 0.000 1.248 384 C CA -0.770 58.329 59.018 0.135 0.000 1.694 384 C CB -0.754 27.034 27.740 0.080 0.000 2.024 384 C HN 0.085 nan 8.230 nan 0.000 0.605 385 D N 0.950 121.390 120.400 0.067 0.000 2.455 385 D HA 0.082 4.723 4.640 0.001 0.000 0.241 385 D C 1.149 177.489 176.300 0.066 0.000 1.138 385 D CA 0.284 54.310 54.000 0.042 0.000 0.877 385 D CB 1.036 41.856 40.800 0.034 0.000 1.187 385 D HN -0.045 nan 8.370 nan 0.000 0.451 386 V N 2.606 122.548 119.914 0.046 0.000 2.515 386 V HA -0.190 3.931 4.120 0.001 0.000 0.250 386 V C 1.821 177.942 176.094 0.046 0.000 1.058 386 V CA 1.367 63.697 62.300 0.050 0.000 1.064 386 V CB -0.278 31.569 31.823 0.040 0.000 0.675 386 V HN 0.533 nan 8.190 nan 0.000 0.461 387 Q N -0.524 119.301 119.800 0.041 0.000 2.280 387 Q HA 0.167 4.508 4.340 0.001 0.000 0.202 387 Q C 1.087 177.110 176.000 0.038 0.000 0.903 387 Q CA 0.256 56.080 55.803 0.036 0.000 0.948 387 Q CB 0.306 29.066 28.738 0.037 0.000 1.058 387 Q HN 0.533 nan 8.270 nan 0.000 0.493 388 R N -1.140 119.396 120.500 0.061 0.000 2.769 388 R HA 0.237 4.578 4.340 0.001 0.000 0.117 388 R C 1.481 177.805 176.300 0.039 0.000 1.152 388 R CA -0.516 55.640 56.100 0.093 0.000 0.887 388 R CB -1.034 29.385 30.300 0.199 0.000 1.099 388 R HN 0.016 nan 8.270 nan 0.000 0.398 389 Y N 1.608 122.039 120.300 0.219 0.000 2.421 389 Y HA -0.008 4.543 4.550 0.001 0.000 0.292 389 Y C 0.698 176.692 175.900 0.156 0.000 1.136 389 Y CA 1.164 59.403 58.100 0.232 0.000 1.255 389 Y CB -0.287 38.417 38.460 0.406 0.000 0.991 389 Y HN 0.543 nan 8.280 nan 0.000 0.552 390 N N 1.000 119.844 118.700 0.240 0.000 2.688 390 N HA -0.222 4.518 4.740 0.001 0.000 0.258 390 N C 0.576 176.181 175.510 0.159 0.000 1.016 390 N CA 0.338 53.484 53.050 0.161 0.000 0.747 390 N CB -0.942 37.606 38.487 0.101 0.000 0.895 390 N HN 0.633 nan 8.380 nan 0.000 0.543 391 I N -2.739 117.939 120.570 0.180 0.000 3.728 391 I HA 0.005 4.176 4.170 0.001 0.000 0.307 391 I C 1.878 178.087 176.117 0.154 0.000 1.276 391 I CA -0.300 61.079 61.300 0.131 0.000 1.285 391 I CB -0.033 38.003 38.000 0.060 0.000 1.038 391 I HN 0.168 nan 8.210 nan 0.000 0.445 392 L N 1.982 123.316 121.223 0.184 0.000 1.978 392 L HA -0.273 4.068 4.340 0.001 0.000 0.218 392 L C 2.632 179.729 176.870 0.378 0.000 1.075 392 L CA 2.370 57.353 54.840 0.240 0.000 0.767 392 L CB -0.859 41.291 42.059 0.152 0.000 0.890 392 L HN 0.485 nan 8.230 nan 0.000 0.434 393 E N -0.947 119.466 120.200 0.355 0.000 2.085 393 E HA -0.308 4.042 4.350 0.001 0.000 0.194 393 E C 2.133 178.774 176.600 0.068 0.000 0.994 393 E CA 1.552 58.116 56.400 0.273 0.000 0.801 393 E CB -0.124 29.676 29.700 0.166 0.000 0.743 393 E HN 0.654 nan 8.360 nan 0.000 0.453 394 E N -0.293 119.942 120.200 0.059 0.000 2.077 394 E HA -0.161 4.189 4.350 0.001 0.000 0.193 394 E C 2.039 178.610 176.600 -0.049 0.000 0.989 394 E CA 1.398 57.785 56.400 -0.022 0.000 0.800 394 E CB 0.187 29.883 29.700 -0.008 0.000 0.746 394 E HN 0.165 nan 8.360 nan 0.000 0.452 395 V N 0.443 120.401 119.914 0.073 0.000 2.548 395 V HA -0.112 4.008 4.120 0.001 0.000 0.249 395 V C 2.352 178.508 176.094 0.102 0.000 1.055 395 V CA 1.629 64.022 62.300 0.155 0.000 1.065 395 V CB -0.737 31.302 31.823 0.360 0.000 0.681 395 V HN 0.476 nan 8.190 nan 0.000 0.462 396 G N 0.068 108.966 108.800 0.164 0.000 2.418 396 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 396 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 396 G C 1.769 176.592 174.900 -0.129 0.000 1.158 396 G CA 0.662 45.847 45.100 0.142 0.000 0.771 396 G HN 0.416 nan 8.290 nan 0.000 0.545 397 R N -0.039 120.331 120.500 -0.217 0.000 2.070 397 R HA 0.004 4.344 4.340 0.001 0.000 0.233 397 R C 2.810 178.896 176.300 -0.356 0.000 1.137 397 R CA 1.296 57.229 56.100 -0.277 0.000 0.945 397 R CB -0.305 29.848 30.300 -0.245 0.000 0.845 397 R HN 0.240 nan 8.270 nan 0.000 0.430 398 R N 0.109 120.299 120.500 -0.516 0.000 2.127 398 R HA -0.071 4.269 4.340 0.001 0.000 0.238 398 R C 2.108 177.883 176.300 -0.876 0.000 1.134 398 R CA 1.404 56.937 56.100 -0.945 0.000 0.975 398 R CB -0.151 29.114 30.300 -1.725 0.000 0.865 398 R HN 0.252 nan 8.270 nan 0.000 0.447 399 M N -0.718 118.585 119.600 -0.494 0.000 2.562 399 M HA 0.100 4.581 4.480 0.001 0.000 0.257 399 M C 0.809 177.003 176.300 -0.176 0.000 1.099 399 M CA 0.809 55.962 55.300 -0.244 0.000 1.099 399 M CB 0.570 33.157 32.600 -0.021 0.000 1.427 399 M HN 0.389 nan 8.290 nan 0.000 0.489 400 G N 2.038 110.715 108.800 -0.207 0.000 2.256 400 G HA2 -0.216 3.745 3.960 0.001 0.000 0.272 400 G HA3 -0.216 3.745 3.960 0.001 0.000 0.272 400 G C -0.188 174.657 174.900 -0.092 0.000 1.076 400 G CA -0.253 44.758 45.100 -0.149 0.000 0.882 400 G HN 0.383 nan 8.290 nan 0.000 0.497 401 L N -1.123 120.042 121.223 -0.096 0.000 2.431 401 L HA 0.497 4.838 4.340 0.001 0.000 0.260 401 L C 0.959 177.745 176.870 -0.140 0.000 1.098 401 L CA -0.891 53.918 54.840 -0.052 0.000 0.800 401 L CB 0.684 42.776 42.059 0.054 0.000 1.210 401 L HN 0.157 nan 8.230 nan 0.000 0.465 402 E N 0.069 120.204 120.200 -0.109 0.000 2.148 402 E HA -0.007 4.343 4.350 0.001 0.000 0.308 402 E C 0.863 177.154 176.600 -0.516 0.000 1.278 402 E CA -0.068 56.221 56.400 -0.186 0.000 1.368 402 E CB 0.072 29.677 29.700 -0.159 0.000 1.229 402 E HN 0.649 nan 8.360 nan 0.000 0.494 403 T N -1.668 112.422 114.554 -0.774 0.000 3.077 403 T HA -0.200 4.151 4.350 0.001 0.000 0.269 403 T C 1.603 175.909 174.700 -0.657 0.000 1.146 403 T CA 0.995 62.164 62.100 -1.551 0.000 1.091 403 T CB -0.303 67.626 68.868 -1.564 0.000 0.892 403 T HN 0.539 nan 8.240 nan 0.000 0.533 404 H N 1.705 120.595 119.070 -0.301 0.000 2.529 404 H HA 0.195 4.751 4.556 0.001 0.000 0.277 404 H C 0.569 175.906 175.328 0.015 0.000 0.999 404 H CA 0.311 56.293 56.048 -0.110 0.000 1.256 404 H CB -0.104 29.604 29.762 -0.090 0.000 1.402 404 H HN 0.629 nan 8.280 nan 0.000 0.566 405 K N 0.294 120.483 120.400 -0.351 0.000 2.482 405 K HA 0.309 4.629 4.320 0.001 0.000 0.251 405 K C 0.045 176.735 176.600 0.150 0.000 0.936 405 K CA -0.731 55.505 56.287 -0.085 0.000 0.791 405 K CB 2.094 34.491 32.500 -0.173 0.000 1.213 405 K HN -0.040 nan 8.250 nan 0.000 0.428 406 L N 1.670 122.988 121.223 0.159 0.000 2.083 406 L HA -0.150 4.191 4.340 0.001 0.000 0.209 406 L C 2.459 179.359 176.870 0.050 0.000 1.083 406 L CA 1.758 56.662 54.840 0.108 0.000 0.752 406 L CB -0.509 41.572 42.059 0.037 0.000 0.899 406 L HN 0.996 nan 8.230 nan 0.000 0.433 407 A N 0.167 123.013 122.820 0.044 0.000 2.076 407 A HA -0.188 4.133 4.320 0.001 0.000 0.220 407 A C 2.448 180.054 177.584 0.037 0.000 1.160 407 A CA 1.727 53.780 52.037 0.027 0.000 0.653 407 A CB -0.564 18.450 19.000 0.024 0.000 0.801 407 A HN 0.547 nan 8.150 nan 0.000 0.455 408 S N -0.686 115.055 115.700 0.069 0.000 2.481 408 S HA 0.094 4.565 4.470 0.001 0.000 0.231 408 S C 0.859 175.517 174.600 0.096 0.000 0.996 408 S CA 0.688 58.938 58.200 0.084 0.000 0.942 408 S CB -0.647 62.613 63.200 0.100 0.000 0.768 408 S HN 0.833 nan 8.310 nan 0.000 0.520 409 L N 0.578 121.837 121.223 0.060 0.000 3.865 409 L HA -0.169 4.171 4.340 0.001 0.000 0.408 409 L C 1.626 178.504 176.870 0.013 0.000 1.209 409 L CA 0.673 55.500 54.840 -0.021 0.000 0.940 409 L CB -2.478 39.578 42.059 -0.004 0.000 1.971 409 L HN 0.745 nan 8.230 nan 0.000 0.899 410 W N 0.223 121.517 121.300 -0.010 0.000 2.358 410 W HA -0.156 4.504 4.660 0.001 0.000 0.303 410 W C 1.715 178.250 176.519 0.026 0.000 1.208 410 W CA 1.400 58.748 57.345 0.004 0.000 1.274 410 W CB -0.740 28.709 29.460 -0.020 0.000 1.138 410 W HN 0.249 nan 8.180 nan 0.000 0.515 411 K N 0.849 120.733 120.400 -0.861 0.000 2.103 411 K HA -0.172 4.148 4.320 0.001 0.000 0.207 411 K C 1.668 178.103 176.600 -0.276 0.000 1.048 411 K CA 2.162 57.962 56.287 -0.811 0.000 0.930 411 K CB -0.361 31.546 32.500 -0.989 0.000 0.716 411 K HN 0.178 nan 8.250 nan 0.000 0.444 412 D N 0.672 120.956 120.400 -0.192 0.000 2.144 412 D HA -0.145 4.496 4.640 0.001 0.000 0.200 412 D C 1.972 178.280 176.300 0.013 0.000 0.978 412 D CA 1.097 55.052 54.000 -0.075 0.000 0.833 412 D CB 0.035 40.800 40.800 -0.058 0.000 0.961 412 D HN 0.360 nan 8.370 nan 0.000 0.470 413 Q N 0.886 120.723 119.800 0.061 0.000 2.079 413 Q HA -0.053 4.288 4.340 0.001 0.000 0.200 413 Q C 2.333 178.440 176.000 0.178 0.000 0.974 413 Q CA 1.118 56.998 55.803 0.128 0.000 0.840 413 Q CB -0.096 28.738 28.738 0.161 0.000 0.898 413 Q HN 0.175 nan 8.270 nan 0.000 0.430 414 A N 0.860 123.801 122.820 0.201 0.000 1.845 414 A HA -0.159 4.161 4.320 0.001 0.000 0.215 414 A C 2.292 180.005 177.584 0.215 0.000 1.195 414 A CA 1.538 53.733 52.037 0.264 0.000 0.616 414 A CB -1.160 18.026 19.000 0.311 0.000 0.832 414 A HN 0.271 nan 8.150 nan 0.000 0.443 415 V N -0.005 119.981 119.914 0.120 0.000 2.453 415 V HA -0.203 3.917 4.120 0.001 0.000 0.252 415 V C 2.324 178.466 176.094 0.080 0.000 1.068 415 V CA 2.460 64.811 62.300 0.086 0.000 1.070 415 V CB -0.421 31.406 31.823 0.006 0.000 0.664 415 V HN 0.316 nan 8.190 nan 0.000 0.461 416 V N -0.045 119.922 119.914 0.088 0.000 2.453 416 V HA -0.108 4.013 4.120 0.001 0.000 0.247 416 V C 2.641 178.794 176.094 0.098 0.000 1.048 416 V CA 1.996 64.346 62.300 0.083 0.000 1.049 416 V CB -0.630 31.247 31.823 0.089 0.000 0.672 416 V HN 0.559 nan 8.190 nan 0.000 0.457 417 E N 0.001 120.306 120.200 0.175 0.000 2.107 417 E HA -0.067 4.284 4.350 0.001 0.000 0.191 417 E C 2.184 178.869 176.600 0.141 0.000 0.982 417 E CA 1.022 57.569 56.400 0.246 0.000 0.809 417 E CB -0.177 29.792 29.700 0.449 0.000 0.756 417 E HN 0.547 nan 8.360 nan 0.000 0.459 418 I N 1.648 122.339 120.570 0.201 0.000 2.226 418 I HA -0.252 3.918 4.170 0.001 0.000 0.245 418 I C 2.074 178.223 176.117 0.053 0.000 1.100 418 I CA 0.879 62.301 61.300 0.205 0.000 1.374 418 I CB -0.252 37.943 38.000 0.324 0.000 1.057 418 I HN 0.072 nan 8.210 nan 0.000 0.413 419 N N 0.656 119.372 118.700 0.027 0.000 2.396 419 N HA -0.038 4.703 4.740 0.001 0.000 0.180 419 N C 1.924 177.383 175.510 -0.084 0.000 1.028 419 N CA 1.041 54.069 53.050 -0.037 0.000 0.893 419 N CB 0.205 38.668 38.487 -0.040 0.000 0.967 419 N HN 0.383 nan 8.380 nan 0.000 0.440 420 I N 0.991 121.482 120.570 -0.132 0.000 2.406 420 I HA -0.152 4.018 4.170 0.001 0.000 0.249 420 I C 2.387 178.290 176.117 -0.358 0.000 1.122 420 I CA 0.330 61.494 61.300 -0.227 0.000 1.431 420 I CB -0.135 37.693 38.000 -0.286 0.000 1.087 420 I HN 0.025 nan 8.210 nan 0.000 0.424 421 A N 0.601 123.116 122.820 -0.508 0.000 1.883 421 A HA -0.170 4.151 4.320 0.001 0.000 0.217 421 A C 2.393 179.881 177.584 -0.161 0.000 1.186 421 A CA 1.819 53.516 52.037 -0.567 0.000 0.624 421 A CB -0.980 17.408 19.000 -1.020 0.000 0.822 421 A HN 0.224 nan 8.150 nan 0.000 0.444 422 V N 0.669 120.539 119.914 -0.072 0.000 2.255 422 V HA -0.267 3.854 4.120 0.001 0.000 0.247 422 V C 2.442 178.536 176.094 -0.001 0.000 1.051 422 V CA 1.916 64.228 62.300 0.019 0.000 1.018 422 V CB -0.700 31.068 31.823 -0.092 0.000 0.641 422 V HN 0.529 nan 8.190 nan 0.000 0.445 423 I N 0.090 120.619 120.570 -0.069 0.000 2.286 423 I HA -0.224 3.947 4.170 0.001 0.000 0.248 423 I C 2.428 178.555 176.117 0.016 0.000 1.115 423 I CA 2.169 63.437 61.300 -0.054 0.000 1.392 423 I CB -1.422 36.544 38.000 -0.056 0.000 1.065 423 I HN 0.518 nan 8.210 nan 0.000 0.418 424 H N 1.174 120.183 119.070 -0.101 0.000 2.321 424 H HA -0.094 4.463 4.556 0.001 0.000 0.300 424 H C 2.367 177.675 175.328 -0.034 0.000 1.087 424 H CA 2.218 58.201 56.048 -0.108 0.000 1.319 424 H CB 0.069 29.695 29.762 -0.227 0.000 1.379 424 H HN 0.114 nan 8.280 nan 0.000 0.501 425 S N -0.119 115.519 115.700 -0.104 0.000 2.348 425 S HA -0.122 4.349 4.470 0.001 0.000 0.221 425 S C 1.947 176.533 174.600 -0.022 0.000 1.033 425 S CA 1.322 59.460 58.200 -0.104 0.000 1.010 425 S CB -0.563 62.687 63.200 0.083 0.000 0.891 425 S HN 0.316 nan 8.310 nan 0.000 0.442 426 F N 1.919 121.808 119.950 -0.102 0.000 2.069 426 F HA -0.174 4.353 4.527 0.001 0.000 0.298 426 F C 2.792 178.531 175.800 -0.102 0.000 1.113 426 F CA 1.567 59.524 58.000 -0.071 0.000 1.214 426 F CB -1.050 37.927 39.000 -0.037 0.000 0.978 426 F HN 0.165 nan 8.300 nan 0.000 0.474 427 Q N 1.065 120.912 119.800 0.078 0.000 2.096 427 Q HA -0.241 4.100 4.340 0.001 0.000 0.204 427 Q C 2.155 178.104 176.000 -0.086 0.000 0.982 427 Q CA 2.131 57.923 55.803 -0.019 0.000 0.850 427 Q CB -0.463 28.253 28.738 -0.037 0.000 0.901 427 Q HN 0.393 nan 8.270 nan 0.000 0.422 428 K N -0.813 119.480 120.400 -0.177 0.000 2.026 428 K HA -0.161 4.160 4.320 0.001 0.000 0.208 428 K C 1.539 178.058 176.600 -0.134 0.000 1.048 428 K CA 1.483 57.645 56.287 -0.209 0.000 0.929 428 K CB 0.050 32.321 32.500 -0.381 0.000 0.713 428 K HN 0.227 nan 8.250 nan 0.000 0.439 429 Q N 0.896 120.617 119.800 -0.132 0.000 2.466 429 Q HA 0.022 4.363 4.340 0.001 0.000 0.210 429 Q C -0.239 175.703 176.000 -0.096 0.000 0.961 429 Q CA 0.197 55.928 55.803 -0.121 0.000 0.953 429 Q CB -0.136 28.499 28.738 -0.172 0.000 1.011 429 Q HN 0.349 nan 8.270 nan 0.000 0.516 430 N N -0.067 118.589 118.700 -0.073 0.000 2.727 430 N HA -0.153 4.588 4.740 0.001 0.000 0.249 430 N C -1.012 174.472 175.510 -0.043 0.000 1.048 430 N CA 0.481 53.499 53.050 -0.053 0.000 0.714 430 N CB -1.190 37.265 38.487 -0.053 0.000 0.959 430 N HN 0.033 nan 8.380 nan 0.000 0.544 431 V N 0.559 120.462 119.914 -0.018 0.000 2.547 431 V HA 0.290 4.410 4.120 0.001 0.000 0.299 431 V C 0.942 177.122 176.094 0.143 0.000 1.040 431 V CA -0.567 61.751 62.300 0.030 0.000 0.913 431 V CB 2.089 33.863 31.823 -0.081 0.000 0.992 431 V HN 0.103 nan 8.190 nan 0.000 0.449 432 T N 5.776 120.376 114.554 0.075 0.000 2.834 432 T HA 0.516 4.867 4.350 0.001 0.000 0.298 432 T C -0.319 174.411 174.700 0.051 0.000 0.966 432 T CA 0.642 62.693 62.100 -0.081 0.000 1.141 432 T CB -0.016 68.649 68.868 -0.338 0.000 0.905 432 T HN 0.531 nan 8.240 nan 0.000 0.535 433 I N 2.918 123.433 120.570 -0.093 0.000 2.908 433 I HA 0.542 4.713 4.170 0.001 0.000 0.300 433 I C -1.599 174.467 176.117 -0.084 0.000 1.385 433 I CA -1.042 60.208 61.300 -0.083 0.000 1.004 433 I CB 2.151 39.955 38.000 -0.327 0.000 1.309 433 I HN 0.576 nan 8.210 nan 0.000 0.449 434 M N 5.286 124.912 119.600 0.044 0.000 2.326 434 M HA 0.366 4.847 4.480 0.001 0.000 0.306 434 M C -1.579 174.753 176.300 0.053 0.000 1.054 434 M CA -0.597 54.748 55.300 0.075 0.000 0.922 434 M CB 1.741 34.481 32.600 0.232 0.000 1.632 434 M HN 0.615 nan 8.290 nan 0.000 0.436 435 D N 1.405 121.821 120.400 0.026 0.000 2.382 435 D HA 0.054 4.695 4.640 0.001 0.000 0.245 435 D C 0.980 177.280 176.300 0.000 0.000 1.120 435 D CA 0.094 54.104 54.000 0.017 0.000 0.890 435 D CB 0.588 41.384 40.800 -0.007 0.000 1.201 435 D HN 0.779 nan 8.370 nan 0.000 0.433 436 H N 0.297 119.264 119.070 -0.172 0.000 2.460 436 H HA -0.238 4.319 4.556 0.001 0.000 0.297 436 H C 1.070 176.291 175.328 -0.178 0.000 1.103 436 H CA 1.474 57.399 56.048 -0.205 0.000 1.292 436 H CB -0.300 29.290 29.762 -0.287 0.000 1.376 436 H HN 0.484 nan 8.280 nan 0.000 0.531 437 H N 0.820 119.706 119.070 -0.306 0.000 2.299 437 H HA -0.011 4.546 4.556 0.001 0.000 0.302 437 H C 2.513 177.821 175.328 -0.034 0.000 1.078 437 H CA 1.386 57.325 56.048 -0.181 0.000 1.323 437 H CB -0.277 29.348 29.762 -0.228 0.000 1.381 437 H HN 0.417 nan 8.280 nan 0.000 0.498 438 S N 0.854 116.613 115.700 0.098 0.000 2.370 438 S HA -0.131 4.340 4.470 0.001 0.000 0.226 438 S C 2.463 177.137 174.600 0.123 0.000 1.033 438 S CA 0.959 59.219 58.200 0.100 0.000 1.011 438 S CB -0.319 62.929 63.200 0.080 0.000 0.852 438 S HN 0.541 nan 8.310 nan 0.000 0.457 439 A N 1.731 124.621 122.820 0.117 0.000 1.877 439 A HA 0.077 4.398 4.320 0.001 0.000 0.216 439 A C 2.391 180.073 177.584 0.163 0.000 1.186 439 A CA 1.791 53.916 52.037 0.146 0.000 0.620 439 A CB -1.220 17.852 19.000 0.121 0.000 0.822 439 A HN 0.520 nan 8.150 nan 0.000 0.443 440 A N -0.092 122.805 122.820 0.129 0.000 1.877 440 A HA -0.203 4.118 4.320 0.001 0.000 0.216 440 A C 1.926 179.644 177.584 0.223 0.000 1.186 440 A CA 1.702 53.833 52.037 0.157 0.000 0.620 440 A CB -0.663 18.407 19.000 0.118 0.000 0.822 440 A HN 0.642 nan 8.150 nan 0.000 0.443 441 E N 0.185 120.494 120.200 0.182 0.000 2.085 441 E HA -0.201 4.150 4.350 0.001 0.000 0.194 441 E C 2.401 179.114 176.600 0.188 0.000 0.994 441 E CA 1.660 58.164 56.400 0.173 0.000 0.801 441 E CB -0.306 29.472 29.700 0.130 0.000 0.743 441 E HN 0.792 nan 8.360 nan 0.000 0.453 442 S N 0.816 116.630 115.700 0.190 0.000 2.383 442 S HA -0.186 4.285 4.470 0.001 0.000 0.227 442 S C 1.932 176.677 174.600 0.241 0.000 1.026 442 S CA 0.714 59.025 58.200 0.186 0.000 0.981 442 S CB -0.541 62.763 63.200 0.172 0.000 0.818 442 S HN 0.325 nan 8.310 nan 0.000 0.472 443 F N 2.015 122.050 119.950 0.141 0.000 2.216 443 F HA 0.025 4.553 4.527 0.001 0.000 0.300 443 F C 2.191 178.132 175.800 0.235 0.000 1.085 443 F CA 1.317 59.430 58.000 0.189 0.000 1.326 443 F CB -0.242 38.844 39.000 0.144 0.000 1.027 443 F HN 0.134 nan 8.300 nan 0.000 0.497 444 M N 0.388 120.174 119.600 0.310 0.000 2.175 444 M HA -0.143 4.338 4.480 0.001 0.000 0.264 444 M C 1.892 178.261 176.300 0.114 0.000 1.063 444 M CA 1.511 56.945 55.300 0.224 0.000 1.119 444 M CB -1.134 31.613 32.600 0.245 0.000 1.377 444 M HN 0.150 nan 8.290 nan 0.000 0.415 445 K N -0.674 119.792 120.400 0.109 0.000 2.025 445 K HA -0.185 4.135 4.320 0.001 0.000 0.207 445 K C 2.048 178.655 176.600 0.011 0.000 1.049 445 K CA 1.412 57.743 56.287 0.074 0.000 0.933 445 K CB -0.771 31.781 32.500 0.086 0.000 0.714 445 K HN 0.168 nan 8.250 nan 0.000 0.438 446 Y N 1.908 122.129 120.300 -0.133 0.000 2.081 446 Y HA -0.292 4.259 4.550 0.001 0.000 0.280 446 Y C 2.320 178.024 175.900 -0.326 0.000 1.163 446 Y CA 1.668 59.628 58.100 -0.233 0.000 1.135 446 Y CB -0.401 37.842 38.460 -0.362 0.000 0.970 446 Y HN -0.031 nan 8.280 nan 0.000 0.498 447 M N 0.058 119.256 119.600 -0.669 0.000 2.082 447 M HA -0.350 4.131 4.480 0.001 0.000 0.258 447 M C 2.544 178.541 176.300 -0.506 0.000 1.069 447 M CA 2.470 57.377 55.300 -0.654 0.000 1.102 447 M CB -0.372 32.057 32.600 -0.286 0.000 1.336 447 M HN 0.558 nan 8.290 nan 0.000 0.404 448 Q N 0.156 119.824 119.800 -0.219 0.000 2.061 448 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 448 Q C 1.457 177.361 176.000 -0.161 0.000 0.984 448 Q CA 2.353 58.111 55.803 -0.074 0.000 0.846 448 Q CB -0.196 28.630 28.738 0.147 0.000 0.902 448 Q HN 0.676 nan 8.270 nan 0.000 0.421 449 N N -0.455 118.135 118.700 -0.184 0.000 2.149 449 N HA -0.169 4.572 4.740 0.001 0.000 0.188 449 N C 1.646 177.000 175.510 -0.260 0.000 1.019 449 N CA 1.079 54.035 53.050 -0.157 0.000 0.857 449 N CB 0.055 38.486 38.487 -0.092 0.000 0.997 449 N HN 0.245 nan 8.380 nan 0.000 0.426 450 E N 0.418 120.319 120.200 -0.497 0.000 2.047 450 E HA -0.135 4.216 4.350 0.001 0.000 0.191 450 E C 1.649 177.914 176.600 -0.559 0.000 0.987 450 E CA 1.026 57.060 56.400 -0.610 0.000 0.799 450 E CB -0.370 28.755 29.700 -0.958 0.000 0.752 450 E HN 0.501 nan 8.360 nan 0.000 0.449 451 Y N 1.163 121.159 120.300 -0.507 0.000 2.224 451 Y HA -0.138 4.412 4.550 0.001 0.000 0.289 451 Y C 2.650 178.418 175.900 -0.220 0.000 1.146 451 Y CA 1.465 59.317 58.100 -0.413 0.000 1.182 451 Y CB -0.166 37.860 38.460 -0.724 0.000 0.983 451 Y HN -0.023 nan 8.280 nan 0.000 0.524 452 R N -0.026 120.430 120.500 -0.074 0.000 2.073 452 R HA -0.172 4.169 4.340 0.001 0.000 0.234 452 R C 2.527 178.792 176.300 -0.057 0.000 1.134 452 R CA 1.836 57.919 56.100 -0.028 0.000 0.952 452 R CB -0.370 29.921 30.300 -0.016 0.000 0.850 452 R HN 0.419 nan 8.270 nan 0.000 0.433 453 S N 0.339 115.977 115.700 -0.105 0.000 2.377 453 S HA -0.117 4.354 4.470 0.001 0.000 0.223 453 S C 1.642 176.178 174.600 -0.106 0.000 1.030 453 S CA 0.864 59.011 58.200 -0.088 0.000 0.970 453 S CB -0.048 63.103 63.200 -0.083 0.000 0.830 453 S HN 0.610 nan 8.310 nan 0.000 0.473 454 R N -0.219 120.178 120.500 -0.171 0.000 2.566 454 R HA 0.474 4.814 4.340 0.001 0.000 0.388 454 R C 0.962 177.169 176.300 -0.155 0.000 0.989 454 R CA 0.034 56.041 56.100 -0.155 0.000 1.164 454 R CB -0.489 29.703 30.300 -0.180 0.000 1.459 454 R HN 0.399 nan 8.270 nan 0.000 0.553 455 G N 0.304 109.016 108.800 -0.147 0.000 2.356 455 G HA2 -0.104 3.857 3.960 0.001 0.000 0.296 455 G HA3 -0.104 3.857 3.960 0.001 0.000 0.296 455 G C 0.177 174.980 174.900 -0.162 0.000 1.022 455 G CA 0.358 45.434 45.100 -0.039 0.000 0.961 455 G HN 0.879 nan 8.290 nan 0.000 0.510 456 G N -2.615 105.772 108.800 -0.689 0.000 2.387 456 G HA2 0.607 4.567 3.960 0.001 0.000 0.294 456 G HA3 0.607 4.567 3.960 0.001 0.000 0.294 456 G C -0.825 173.532 174.900 -0.905 0.000 1.509 456 G CA 0.230 44.928 45.100 -0.671 0.000 0.806 456 G HN 1.842 nan 8.290 nan 0.000 0.546 457 C N 2.385 121.374 119.300 -0.518 0.000 3.033 457 C HA 0.449 4.909 4.460 0.001 0.000 0.385 457 C C -2.654 172.198 174.990 -0.229 0.000 0.945 457 C CA -1.011 57.750 59.018 -0.428 0.000 1.252 457 C CB 0.324 27.711 27.740 -0.587 0.000 1.553 457 C HN 0.689 nan 8.230 nan 0.000 0.563 458 P HA 0.356 nan 4.420 nan 0.000 0.262 458 P C -0.432 176.780 177.300 -0.146 0.000 1.182 458 P CA 0.892 63.585 63.100 -0.678 0.000 0.761 458 P CB 0.924 32.105 31.700 -0.866 0.000 0.795 459 A N 2.600 125.419 122.820 -0.002 0.000 2.488 459 A HA 0.423 4.743 4.320 0.001 0.000 0.298 459 A C -1.162 176.515 177.584 0.155 0.000 1.044 459 A CA -0.543 51.593 52.037 0.164 0.000 0.693 459 A CB 1.327 20.530 19.000 0.339 0.000 1.272 459 A HN 0.434 nan 8.150 nan 0.000 0.402 460 D N 1.872 122.354 120.400 0.136 0.000 2.427 460 D HA 0.201 4.841 4.640 0.001 0.000 0.226 460 D C 0.745 177.179 176.300 0.223 0.000 1.076 460 D CA -0.465 53.644 54.000 0.182 0.000 0.849 460 D CB 0.551 41.430 40.800 0.132 0.000 1.052 460 D HN 0.589 nan 8.370 nan 0.000 0.515 461 W N 4.577 125.938 121.300 0.102 0.000 2.318 461 W HA -0.208 4.453 4.660 0.002 0.000 0.313 461 W C 1.791 178.360 176.519 0.082 0.000 1.221 461 W CA 1.270 58.657 57.345 0.070 0.000 1.266 461 W CB -0.105 29.380 29.460 0.043 0.000 1.150 461 W HN 0.491 nan 8.180 nan 0.000 0.496 462 I N -1.165 119.681 120.570 0.461 0.000 2.264 462 I HA -0.321 3.850 4.170 0.001 0.000 0.248 462 I C 1.867 178.081 176.117 0.162 0.000 1.111 462 I CA 1.598 63.116 61.300 0.364 0.000 1.382 462 I CB -0.694 37.545 38.000 0.399 0.000 1.060 462 I HN 0.099 nan 8.210 nan 0.000 0.418 463 W N -0.468 120.831 121.300 -0.002 0.000 2.576 463 W HA 0.024 4.685 4.660 0.001 0.000 0.275 463 W C 2.141 178.572 176.519 -0.145 0.000 1.241 463 W CA 0.063 57.382 57.345 -0.045 0.000 1.328 463 W CB -0.271 29.190 29.460 0.001 0.000 1.092 463 W HN -0.033 nan 8.180 nan 0.000 0.586 464 L N -0.271 120.941 121.223 -0.018 0.000 2.156 464 L HA 0.008 4.349 4.340 0.001 0.000 0.208 464 L C 0.747 177.408 176.870 -0.349 0.000 1.095 464 L CA 0.909 55.596 54.840 -0.255 0.000 0.770 464 L CB -1.364 40.461 42.059 -0.390 0.000 0.914 464 L HN -0.393 nan 8.230 nan 0.000 0.439 465 V N 1.470 121.107 119.914 -0.461 0.000 2.470 465 V HA 0.139 4.259 4.120 0.001 0.000 0.276 465 V C -1.796 174.129 176.094 -0.281 0.000 1.040 465 V CA -1.463 60.553 62.300 -0.473 0.000 1.008 465 V CB 0.410 31.713 31.823 -0.867 0.000 0.990 465 V HN 0.150 nan 8.190 nan 0.000 0.477 466 P HA 0.046 nan 4.420 nan 0.000 0.266 466 P C -1.822 175.356 177.300 -0.202 0.000 1.193 466 P CA -0.741 62.243 63.100 -0.192 0.000 0.770 466 P CB 0.113 31.731 31.700 -0.136 0.000 0.836 467 P HA 0.014 nan 4.420 nan 0.000 0.245 467 P C -0.075 177.115 177.300 -0.183 0.000 1.212 467 P CA 1.031 64.013 63.100 -0.197 0.000 0.774 467 P CB 0.081 31.652 31.700 -0.215 0.000 0.999 468 M N -4.049 115.412 119.600 -0.232 0.000 2.421 468 M HA 0.521 5.002 4.480 0.001 0.000 0.287 468 M C -0.446 175.776 176.300 -0.130 0.000 1.183 468 M CA -0.499 54.687 55.300 -0.190 0.000 0.916 468 M CB 2.047 34.510 32.600 -0.228 0.000 1.701 468 M HN -0.344 nan 8.290 nan 0.000 0.470 469 S N 1.425 117.103 115.700 -0.037 0.000 3.587 469 S HA -0.171 4.300 4.470 0.001 0.000 0.337 469 S C 1.138 175.737 174.600 -0.002 0.000 1.119 469 S CA 0.975 59.196 58.200 0.034 0.000 0.976 469 S CB -1.820 61.501 63.200 0.202 0.000 0.922 469 S HN 1.289 nan 8.310 nan 0.000 0.503 470 G N 2.344 111.105 108.800 -0.065 0.000 2.766 470 G HA2 -0.394 3.566 3.960 0.001 0.000 0.222 470 G HA3 -0.394 3.566 3.960 0.001 0.000 0.222 470 G C 1.469 176.221 174.900 -0.247 0.000 1.225 470 G CA 1.898 46.950 45.100 -0.080 0.000 0.784 470 G HN 1.397 nan 8.290 nan 0.000 0.631 471 S N 0.262 115.503 115.700 -0.766 0.000 2.537 471 S HA 0.035 4.506 4.470 0.001 0.000 0.240 471 S C 2.044 176.552 174.600 -0.153 0.000 0.981 471 S CA 0.902 58.541 58.200 -0.935 0.000 0.948 471 S CB -0.106 62.393 63.200 -1.168 0.000 0.759 471 S HN 0.248 nan 8.310 nan 0.000 0.531 472 I N 2.762 123.304 120.570 -0.047 0.000 2.928 472 I HA 0.035 4.206 4.170 0.001 0.000 0.266 472 I C 1.395 177.611 176.117 0.164 0.000 1.234 472 I CA 0.681 62.033 61.300 0.086 0.000 1.483 472 I CB -1.980 36.088 38.000 0.113 0.000 1.097 472 I HN 0.507 nan 8.210 nan 0.000 0.455 473 T N -2.169 112.481 114.554 0.161 0.000 2.929 473 T HA 0.372 4.723 4.350 0.001 0.000 0.284 473 T C -1.861 172.989 174.700 0.250 0.000 1.014 473 T CA -1.785 60.434 62.100 0.198 0.000 1.051 473 T CB 2.375 71.329 68.868 0.143 0.000 1.028 473 T HN -0.215 nan 8.240 nan 0.000 0.485 474 P HA -0.046 nan 4.420 nan 0.000 0.218 474 P C 1.660 179.151 177.300 0.318 0.000 1.149 474 P CA 0.409 63.700 63.100 0.319 0.000 0.817 474 P CB -0.061 31.788 31.700 0.249 0.000 0.785 475 V N -1.003 119.040 119.914 0.214 0.000 2.490 475 V HA -0.233 3.888 4.120 0.001 0.000 0.250 475 V C 2.095 178.236 176.094 0.079 0.000 1.061 475 V CA 1.473 63.849 62.300 0.127 0.000 1.064 475 V CB -1.343 30.446 31.823 -0.056 0.000 0.670 475 V HN 0.045 nan 8.190 nan 0.000 0.461 476 F N 1.460 121.356 119.950 -0.090 0.000 2.120 476 F HA -0.259 4.269 4.527 0.002 0.000 0.300 476 F C 2.152 178.154 175.800 0.336 0.000 1.095 476 F CA 2.258 60.246 58.000 -0.020 0.000 1.249 476 F CB -0.339 38.516 39.000 -0.242 0.000 0.995 476 F HN 0.333 nan 8.300 nan 0.000 0.480 477 H N -1.747 117.654 119.070 0.551 0.000 2.533 477 H HA 0.133 4.690 4.556 0.001 0.000 0.271 477 H C 0.155 175.733 175.328 0.416 0.000 1.000 477 H CA -0.033 56.303 56.048 0.481 0.000 1.149 477 H CB -0.063 29.971 29.762 0.453 0.000 1.375 477 H HN 0.136 nan 8.280 nan 0.000 0.582 478 Q N 1.866 121.960 119.800 0.489 0.000 2.314 478 Q HA 0.161 4.502 4.340 0.001 0.000 0.259 478 Q C -0.776 175.482 176.000 0.430 0.000 0.951 478 Q CA -0.468 55.572 55.803 0.394 0.000 0.909 478 Q CB 0.735 29.700 28.738 0.378 0.000 1.236 478 Q HN 0.339 nan 8.270 nan 0.000 0.444 479 E N 3.670 124.035 120.200 0.275 0.000 2.331 479 E HA 0.423 4.774 4.350 0.001 0.000 0.272 479 E C -0.558 176.191 176.600 0.248 0.000 1.036 479 E CA 0.016 56.545 56.400 0.215 0.000 0.864 479 E CB 0.981 30.764 29.700 0.139 0.000 1.035 479 E HN 0.607 nan 8.360 nan 0.000 0.408 480 M N 2.075 121.824 119.600 0.248 0.000 2.569 480 M HA 0.415 4.896 4.480 0.001 0.000 0.279 480 M C -1.171 175.264 176.300 0.226 0.000 1.253 480 M CA -0.690 54.778 55.300 0.280 0.000 0.867 480 M CB 1.835 34.645 32.600 0.350 0.000 1.727 480 M HN 0.199 nan 8.290 nan 0.000 0.467 481 L N 1.704 123.088 121.223 0.269 0.000 2.322 481 L HA 0.531 4.871 4.340 0.001 0.000 0.281 481 L C -0.839 176.199 176.870 0.281 0.000 1.014 481 L CA -0.677 54.331 54.840 0.279 0.000 0.815 481 L CB 1.735 43.995 42.059 0.334 0.000 1.247 481 L HN 0.679 nan 8.230 nan 0.000 0.421 482 N N 3.346 122.187 118.700 0.235 0.000 2.476 482 N HA 0.470 5.211 4.740 0.001 0.000 0.257 482 N C -1.456 174.162 175.510 0.179 0.000 0.970 482 N CA -0.243 52.873 53.050 0.110 0.000 0.938 482 N CB 0.726 39.279 38.487 0.109 0.000 1.144 482 N HN 0.371 nan 8.380 nan 0.000 0.500 483 Y N 0.022 120.344 120.300 0.036 0.000 2.625 483 Y HA 0.665 5.215 4.550 0.001 0.000 0.338 483 Y C -1.183 174.672 175.900 -0.076 0.000 1.123 483 Y CA -1.369 56.724 58.100 -0.011 0.000 1.046 483 Y CB 0.724 39.192 38.460 0.013 0.000 1.299 483 Y HN -0.016 nan 8.280 nan 0.000 0.464 484 V N 3.887 123.762 119.914 -0.065 0.000 2.311 484 V HA 0.346 4.467 4.120 0.001 0.000 0.275 484 V C 0.178 176.101 176.094 -0.284 0.000 1.022 484 V CA -0.468 61.557 62.300 -0.458 0.000 0.830 484 V CB 0.178 31.562 31.823 -0.731 0.000 1.012 484 V HN 0.735 nan 8.190 nan 0.000 0.452 485 L N 2.582 123.695 121.223 -0.184 0.000 2.855 485 L HA 0.651 4.992 4.340 0.001 0.000 0.204 485 L C 0.542 177.378 176.870 -0.057 0.000 1.206 485 L CA -0.271 54.546 54.840 -0.038 0.000 0.942 485 L CB 0.880 42.960 42.059 0.035 0.000 1.832 485 L HN 0.595 nan 8.230 nan 0.000 0.522 486 S N -0.804 114.912 115.700 0.028 0.000 2.603 486 S HA 0.483 4.953 4.470 0.001 0.000 0.274 486 S C -2.667 171.988 174.600 0.091 0.000 1.168 486 S CA -1.071 57.169 58.200 0.066 0.000 0.963 486 S CB 1.718 64.977 63.200 0.098 0.000 1.078 486 S HN 0.122 nan 8.310 nan 0.000 0.477 487 P HA 0.457 nan 4.420 nan 0.000 0.270 487 P C -1.293 175.948 177.300 -0.099 0.000 1.223 487 P CA -0.097 62.961 63.100 -0.069 0.000 0.785 487 P CB 0.248 31.836 31.700 -0.187 0.000 0.923 488 F N 0.905 120.611 119.950 -0.407 0.000 2.650 488 F HA 0.380 4.908 4.527 0.002 0.000 0.310 488 F C -1.585 173.841 175.800 -0.624 0.000 1.112 488 F CA -0.771 56.883 58.000 -0.576 0.000 0.986 488 F CB 1.147 39.757 39.000 -0.650 0.000 1.285 488 F HN 0.161 nan 8.300 nan 0.000 0.440 489 Y N 5.332 125.070 120.300 -0.935 0.000 2.477 489 Y HA 0.374 4.925 4.550 0.001 0.000 0.349 489 Y C -0.657 174.848 175.900 -0.658 0.000 0.977 489 Y CA -0.651 57.092 58.100 -0.595 0.000 1.214 489 Y CB -0.108 38.020 38.460 -0.553 0.000 1.124 489 Y HN 0.383 nan 8.280 nan 0.000 0.521 490 Y N 1.141 121.449 120.300 0.014 0.000 2.392 490 Y HA 0.323 4.874 4.550 0.001 0.000 0.323 490 Y C -0.005 175.876 175.900 -0.031 0.000 1.291 490 Y CA -0.817 57.304 58.100 0.035 0.000 1.345 490 Y CB 0.602 39.154 38.460 0.154 0.000 1.320 490 Y HN 0.395 nan 8.280 nan 0.000 0.518 491 Y N 0.185 120.651 120.300 0.278 0.000 2.344 491 Y HA 0.413 4.963 4.550 0.001 0.000 0.330 491 Y C -0.060 175.904 175.900 0.108 0.000 1.330 491 Y CA -1.155 57.024 58.100 0.132 0.000 1.479 491 Y CB 0.644 39.153 38.460 0.081 0.000 1.428 491 Y HN 0.413 nan 8.280 nan 0.000 0.544 492 Q N -0.557 119.376 119.800 0.222 0.000 2.456 492 Q HA 0.495 4.836 4.340 0.001 0.000 0.284 492 Q C -1.611 174.367 176.000 -0.037 0.000 1.061 492 Q CA -1.179 54.665 55.803 0.067 0.000 0.799 492 Q CB 2.784 31.540 28.738 0.030 0.000 1.445 492 Q HN 0.303 nan 8.270 nan 0.000 0.411 493 V N 1.538 121.391 119.914 -0.101 0.000 2.637 493 V HA 0.013 4.133 4.120 0.001 0.000 0.296 493 V C 0.128 176.013 176.094 -0.350 0.000 1.046 493 V CA 0.008 62.193 62.300 -0.191 0.000 1.066 493 V CB 0.624 32.347 31.823 -0.166 0.000 0.968 493 V HN 0.677 nan 8.190 nan 0.000 0.483 494 E N 2.910 122.788 120.200 -0.536 0.000 2.558 494 E HA 0.075 4.426 4.350 0.001 0.000 0.255 494 E C 1.305 177.261 176.600 -1.074 0.000 0.968 494 E CA 0.447 56.244 56.400 -1.005 0.000 0.939 494 E CB 0.622 29.373 29.700 -1.582 0.000 0.921 494 E HN 0.817 nan 8.360 nan 0.000 0.477 495 A N 4.528 126.727 122.820 -1.036 0.000 1.927 495 A HA -0.224 4.096 4.320 0.001 0.000 0.220 495 A C 1.696 178.685 177.584 -0.991 0.000 1.185 495 A CA 2.022 53.441 52.037 -1.030 0.000 0.639 495 A CB -0.936 17.125 19.000 -1.564 0.000 0.820 495 A HN 0.960 nan 8.150 nan 0.000 0.451 496 W N -0.321 120.387 121.300 -0.987 0.000 2.611 496 W HA 0.080 4.741 4.660 0.002 0.000 0.251 496 W C 1.334 177.811 176.519 -0.069 0.000 1.265 496 W CA 0.962 58.046 57.345 -0.434 0.000 1.295 496 W CB -0.147 29.277 29.460 -0.061 0.000 1.129 496 W HN 0.183 nan 8.180 nan 0.000 0.630 497 K N 0.346 120.578 120.400 -0.280 0.000 2.361 497 K HA 0.050 4.371 4.320 0.001 0.000 0.196 497 K C 1.876 178.438 176.600 -0.063 0.000 1.039 497 K CA 1.562 57.780 56.287 -0.116 0.000 1.001 497 K CB -0.076 32.281 32.500 -0.238 0.000 0.795 497 K HN 0.307 nan 8.250 nan 0.000 0.495 498 T N -3.146 111.339 114.554 -0.114 0.000 2.978 498 T HA 0.022 4.373 4.350 0.001 0.000 0.248 498 T C 0.544 175.229 174.700 -0.024 0.000 1.018 498 T CA -0.271 61.786 62.100 -0.072 0.000 1.026 498 T CB -0.326 68.472 68.868 -0.116 0.000 1.032 498 T HN 0.099 nan 8.240 nan 0.000 0.485 499 H N 1.789 120.794 119.070 -0.108 0.000 3.070 499 H HA 0.365 4.922 4.556 0.001 0.000 0.313 499 H C -0.621 174.646 175.328 -0.103 0.000 0.997 499 H CA 0.150 56.125 56.048 -0.122 0.000 1.438 499 H CB 0.328 30.017 29.762 -0.122 0.000 1.455 499 H HN 0.060 nan 8.280 nan 0.000 0.575 500 V N 7.062 126.622 119.914 -0.589 0.000 2.348 500 V HA 0.042 4.162 4.120 0.001 0.000 0.270 500 V C -0.294 175.488 176.094 -0.520 0.000 1.037 500 V CA -0.734 61.375 62.300 -0.318 0.000 0.872 500 V CB -0.160 31.533 31.823 -0.216 0.000 1.002 500 V HN 0.741 nan 8.190 nan 0.000 0.464 501 W N 3.674 124.957 121.300 -0.028 0.000 2.210 501 W HA 0.240 4.900 4.660 0.001 0.000 0.330 501 W C 1.489 178.022 176.519 0.023 0.000 1.334 501 W CA 0.060 57.472 57.345 0.113 0.000 1.227 501 W CB 0.289 29.855 29.460 0.177 0.000 1.178 501 W HN 0.624 nan 8.180 nan 0.000 0.560 502 Q N 2.287 122.204 119.800 0.194 0.000 1.916 502 Q HA 0.103 4.444 4.340 0.001 0.000 0.203 502 Q C 0.772 176.857 176.000 0.140 0.000 0.983 502 Q CA 1.931 57.799 55.803 0.109 0.000 0.846 502 Q CB -0.250 28.536 28.738 0.079 0.000 0.909 502 Q HN 0.699 nan 8.270 nan 0.000 0.427 503 D N 0.000 120.498 120.400 0.163 0.000 6.856 503 D HA 0.000 4.641 4.640 0.001 0.000 0.175 503 D CA 0.000 nan 54.000 nan 0.000 0.868 503 D CB 0.000 nan 40.800 nan 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683