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 2gga_1_A DATA FIRST_RESID 6 DATA SEQUENCE SSRPATARKS SGLSGTVRIP GDKSISHRSF MFGGLASGET RITGLLEGED DATA SEQUENCE VINTGKAMQA MGARIRKEGD TWIIDGVGNG GLLAPEAPLD FGNAATGCRL DATA SEQUENCE TMGLVGVYDF DSTFIGDASL TKRPMGRVLN PLREMGVQVK SEDGDRLPVT DATA SEQUENCE LRGPKTPTPI TYRVPMASAQ VKSAVLLAGL NTPGITTVIE PIMTRDHTEK DATA SEQUENCE MLQGFGANLT VETDADGVRT IRLEGRGKLT GQVIDVPGDP SSTAFPLVAA DATA SEQUENCE LLVPGSDVTI LNVLMNPTRT GLILTLQEMG ADIEVINPRL AGGEDVADLR DATA SEQUENCE VRSSTLKGVT VPEDRAPSMI DEYPILAVAA AFAEGATVMN GLEELRVKES DATA SEQUENCE DRLSAVANGL KLNGVDCDEG ETSLVVRGRP DGKGLGNASG AAVATHLDHR DATA SEQUENCE IAMSFLVMGL VSENPVTVDD ATMIATSFPE FMDLMAGLGA KIELS 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.597 174.600 -0.004 0.000 1.055 6 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 6 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 7 S N 1.218 116.913 115.700 -0.008 0.000 2.537 7 S HA 0.806 5.276 4.470 -0.000 0.000 0.301 7 S C -1.046 173.548 174.600 -0.010 0.000 1.092 7 S CA -0.825 57.367 58.200 -0.012 0.000 1.048 7 S CB 1.069 64.256 63.200 -0.021 0.000 1.053 7 S HN 0.500 nan 8.310 nan 0.000 0.501 8 R N 2.611 123.105 120.500 -0.010 0.000 2.472 8 R HA 0.368 4.708 4.340 -0.000 0.000 0.294 8 R C -2.974 173.321 176.300 -0.008 0.000 1.243 8 R CA -2.192 53.904 56.100 -0.006 0.000 1.023 8 R CB 1.129 31.428 30.300 -0.002 0.000 1.157 8 R HN 0.442 nan 8.270 nan 0.000 0.530 9 P HA 0.243 nan 4.420 nan 0.000 0.272 9 P C -0.825 176.475 177.300 0.001 0.000 1.230 9 P CA -0.269 62.825 63.100 -0.009 0.000 0.788 9 P CB 1.133 32.825 31.700 -0.013 0.000 0.949 10 A N 1.252 124.076 122.820 0.007 0.000 2.515 10 A HA 0.707 5.027 4.320 -0.000 0.000 0.298 10 A C -0.819 176.781 177.584 0.028 0.000 1.059 10 A CA -0.425 51.624 52.037 0.019 0.000 0.698 10 A CB 1.277 20.295 19.000 0.030 0.000 1.289 10 A HN 0.418 nan 8.150 nan 0.000 0.404 11 T N 1.236 115.808 114.554 0.030 0.000 2.848 11 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 11 T C -0.199 174.527 174.700 0.043 0.000 0.995 11 T CA 0.096 62.218 62.100 0.037 0.000 0.970 11 T CB 1.583 70.466 68.868 0.026 0.000 0.976 11 T HN 1.344 nan 8.240 nan 0.000 0.441 12 A N 3.682 126.537 122.820 0.058 0.000 2.305 12 A HA 0.812 5.132 4.320 -0.000 0.000 0.322 12 A C -0.077 177.535 177.584 0.047 0.000 1.187 12 A CA -0.785 51.285 52.037 0.055 0.000 0.825 12 A CB 0.667 19.715 19.000 0.080 0.000 1.164 12 A HN 0.822 nan 8.150 nan 0.000 0.498 13 R N 1.180 121.697 120.500 0.029 0.000 2.778 13 R HA 0.421 4.761 4.340 -0.000 0.000 0.277 13 R C -0.369 175.940 176.300 0.014 0.000 0.977 13 R CA -0.942 55.172 56.100 0.024 0.000 0.950 13 R CB 1.779 32.088 30.300 0.015 0.000 1.165 13 R HN 0.771 nan 8.270 nan 0.000 0.474 14 K N 1.299 121.709 120.400 0.016 0.000 2.511 14 K HA -0.035 4.285 4.320 -0.000 0.000 0.280 14 K C -0.277 176.317 176.600 -0.010 0.000 1.008 14 K CA 0.472 56.761 56.287 0.003 0.000 1.050 14 K CB 0.519 33.025 32.500 0.010 0.000 0.889 14 K HN 0.501 nan 8.250 nan 0.000 0.484 15 S N 2.055 117.741 115.700 -0.024 0.000 2.525 15 S HA 0.142 4.612 4.470 -0.000 0.000 0.290 15 S C 0.724 175.306 174.600 -0.029 0.000 1.152 15 S CA -0.454 57.729 58.200 -0.028 0.000 1.072 15 S CB 1.345 64.522 63.200 -0.038 0.000 1.027 15 S HN 0.654 nan 8.310 nan 0.000 0.500 16 S N 2.406 118.092 115.700 -0.024 0.000 2.631 16 S HA 0.499 4.969 4.470 -0.000 0.000 0.217 16 S C 0.776 175.361 174.600 -0.024 0.000 0.958 16 S CA 0.044 58.231 58.200 -0.021 0.000 0.920 16 S CB -0.545 62.646 63.200 -0.015 0.000 0.776 16 S HN 1.617 nan 8.310 nan 0.000 0.517 17 G N 0.609 109.391 108.800 -0.030 0.000 2.326 17 G HA2 0.273 4.233 3.960 -0.000 0.000 0.299 17 G HA3 0.273 4.233 3.960 -0.000 0.000 0.299 17 G C -1.418 173.464 174.900 -0.030 0.000 1.643 17 G CA -1.183 43.899 45.100 -0.030 0.000 0.916 17 G HN 0.282 nan 8.290 nan 0.000 0.700 18 L N 1.455 122.659 121.223 -0.032 0.000 2.317 18 L HA 0.866 5.206 4.340 -0.000 0.000 0.281 18 L C 0.455 177.311 176.870 -0.023 0.000 1.024 18 L CA -0.903 53.919 54.840 -0.031 0.000 0.810 18 L CB 2.039 44.078 42.059 -0.033 0.000 1.240 18 L HN 0.642 nan 8.230 nan 0.000 0.427 19 S N 1.496 117.183 115.700 -0.021 0.000 2.543 19 S HA 0.908 5.378 4.470 -0.000 0.000 0.271 19 S C -0.605 173.987 174.600 -0.013 0.000 1.148 19 S CA 0.200 58.391 58.200 -0.015 0.000 0.914 19 S CB 1.823 65.015 63.200 -0.014 0.000 1.096 19 S HN 1.072 nan 8.310 nan 0.000 0.471 20 G N 1.781 110.576 108.800 -0.008 0.000 2.362 20 G HA2 0.344 4.304 3.960 -0.000 0.000 0.288 20 G HA3 0.344 4.304 3.960 -0.000 0.000 0.288 20 G C -1.388 173.512 174.900 -0.000 0.000 1.305 20 G CA -0.286 44.811 45.100 -0.005 0.000 0.910 20 G HN 0.891 nan 8.290 nan 0.000 0.518 21 T N 0.339 114.894 114.554 0.003 0.000 2.881 21 T HA 0.704 5.054 4.350 -0.000 0.000 0.291 21 T C -0.213 174.493 174.700 0.011 0.000 0.990 21 T CA 0.091 62.195 62.100 0.006 0.000 0.976 21 T CB 1.283 70.153 68.868 0.004 0.000 0.970 21 T HN 1.807 nan 8.240 nan 0.000 0.438 22 V N 1.350 121.275 119.914 0.018 0.000 3.007 22 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 22 V C -0.749 175.362 176.094 0.028 0.000 1.120 22 V CA -1.455 60.862 62.300 0.028 0.000 0.980 22 V CB 2.090 33.940 31.823 0.044 0.000 1.033 22 V HN 0.749 nan 8.190 nan 0.000 0.429 23 R N 2.079 122.597 120.500 0.030 0.000 2.254 23 R HA 0.605 4.945 4.340 -0.000 0.000 0.318 23 R C -0.747 175.568 176.300 0.025 0.000 1.031 23 R CA -0.631 55.481 56.100 0.020 0.000 0.905 23 R CB 1.828 32.138 30.300 0.016 0.000 1.050 23 R HN 0.782 nan 8.270 nan 0.000 0.456 24 I N 4.451 125.020 120.570 -0.001 0.000 2.581 24 I HA 0.222 4.392 4.170 -0.000 0.000 0.288 24 I C -2.059 174.008 176.117 -0.084 0.000 1.047 24 I CA -2.372 58.903 61.300 -0.041 0.000 1.374 24 I CB 0.925 38.882 38.000 -0.073 0.000 1.423 24 I HN 0.464 nan 8.210 nan 0.000 0.549 25 P HA 0.204 nan 4.420 nan 0.000 0.271 25 P C -0.521 176.689 177.300 -0.150 0.000 1.233 25 P CA -0.308 62.714 63.100 -0.130 0.000 0.789 25 P CB 0.269 31.873 31.700 -0.159 0.000 0.951 26 G N 0.280 109.011 108.800 -0.116 0.000 2.630 26 G HA2 0.050 4.010 3.960 -0.000 0.000 0.236 26 G HA3 0.050 4.010 3.960 -0.000 0.000 0.236 26 G C -0.376 174.429 174.900 -0.157 0.000 1.248 26 G CA -0.162 44.861 45.100 -0.127 0.000 0.844 26 G HN 0.506 nan 8.290 nan 0.000 0.588 27 D N -0.296 120.012 120.400 -0.154 0.000 2.417 27 D HA 0.058 4.697 4.640 -0.000 0.000 0.250 27 D C 1.433 177.619 176.300 -0.190 0.000 1.166 27 D CA -0.050 53.852 54.000 -0.162 0.000 0.881 27 D CB 0.967 41.657 40.800 -0.183 0.000 1.164 27 D HN 0.395 nan 8.370 nan 0.000 0.467 28 K N 1.732 122.043 120.400 -0.149 0.000 2.026 28 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 28 K C 1.805 178.341 176.600 -0.106 0.000 1.048 28 K CA 1.185 57.376 56.287 -0.160 0.000 0.929 28 K CB 0.037 32.506 32.500 -0.053 0.000 0.713 28 K HN 0.372 nan 8.250 nan 0.000 0.439 29 S N 0.926 116.599 115.700 -0.046 0.000 2.359 29 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 29 S C 1.881 176.396 174.600 -0.142 0.000 1.035 29 S CA 1.561 59.752 58.200 -0.015 0.000 1.018 29 S CB -0.263 62.933 63.200 -0.006 0.000 0.876 29 S HN 0.280 nan 8.310 nan 0.000 0.448 30 I N 1.080 121.463 120.570 -0.311 0.000 2.315 30 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 30 I C 2.349 178.324 176.117 -0.236 0.000 1.117 30 I CA 0.745 61.876 61.300 -0.281 0.000 1.404 30 I CB -0.284 37.536 38.000 -0.300 0.000 1.071 30 I HN 0.204 nan 8.210 nan 0.000 0.419 31 S N -0.526 115.005 115.700 -0.282 0.000 2.368 31 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 31 S C 1.980 176.327 174.600 -0.421 0.000 1.029 31 S CA 0.952 58.910 58.200 -0.404 0.000 0.988 31 S CB -0.397 62.518 63.200 -0.474 0.000 0.838 31 S HN 0.443 nan 8.310 nan 0.000 0.462 32 H N 1.453 120.364 119.070 -0.266 0.000 2.319 32 H HA 0.016 4.572 4.556 -0.000 0.000 0.299 32 H C 2.352 177.531 175.328 -0.249 0.000 1.092 32 H CA 1.473 57.410 56.048 -0.186 0.000 1.302 32 H CB -0.171 29.517 29.762 -0.124 0.000 1.373 32 H HN 0.311 nan 8.280 nan 0.000 0.497 33 R N 0.129 120.488 120.500 -0.234 0.000 2.148 33 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 33 R C 2.615 178.556 176.300 -0.600 0.000 1.103 33 R CA 0.991 56.687 56.100 -0.673 0.000 0.983 33 R CB 0.056 29.930 30.300 -0.711 0.000 0.874 33 R HN 0.119 nan 8.270 nan 0.000 0.451 34 S N 0.362 115.904 115.700 -0.263 0.000 2.368 34 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 34 S C 1.428 176.079 174.600 0.086 0.000 1.029 34 S CA 1.006 59.170 58.200 -0.060 0.000 0.988 34 S CB -0.178 62.960 63.200 -0.103 0.000 0.838 34 S HN 0.165 nan 8.310 nan 0.000 0.462 35 F N 1.694 121.568 119.950 -0.126 0.000 2.146 35 F HA 0.106 4.633 4.527 -0.000 0.000 0.298 35 F C 2.254 178.018 175.800 -0.059 0.000 1.096 35 F CA 0.395 58.345 58.000 -0.083 0.000 1.275 35 F CB -1.020 37.909 39.000 -0.118 0.000 1.008 35 F HN 0.177 nan 8.300 nan 0.000 0.480 36 M N -1.406 118.227 119.600 0.055 0.000 2.067 36 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 36 M C 2.166 178.540 176.300 0.123 0.000 1.069 36 M CA 1.627 56.938 55.300 0.018 0.000 1.117 36 M CB -0.652 31.878 32.600 -0.116 0.000 1.334 36 M HN -0.049 nan 8.290 nan 0.000 0.407 37 F N 0.145 120.015 119.950 -0.134 0.000 2.206 37 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 37 F C 2.618 178.271 175.800 -0.245 0.000 1.090 37 F CA 0.983 58.722 58.000 -0.435 0.000 1.323 37 F CB -2.011 36.363 39.000 -1.043 0.000 1.028 37 F HN 0.149 nan 8.300 nan 0.000 0.492 38 G N -0.057 108.877 108.800 0.223 0.000 2.422 38 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 38 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 38 G C 2.041 177.085 174.900 0.241 0.000 1.146 38 G CA 0.874 46.195 45.100 0.368 0.000 0.769 38 G HN 0.505 nan 8.290 nan 0.000 0.547 39 G N 0.295 109.196 108.800 0.167 0.000 2.448 39 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.218 39 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.218 39 G C 1.650 176.615 174.900 0.108 0.000 1.135 39 G CA 0.890 46.053 45.100 0.106 0.000 0.784 39 G HN 0.406 nan 8.290 nan 0.000 0.543 40 L N 0.693 121.993 121.223 0.128 0.000 2.249 40 L HA 0.573 4.913 4.340 -0.000 0.000 0.207 40 L C 1.887 178.834 176.870 0.129 0.000 1.090 40 L CA 0.661 55.572 54.840 0.119 0.000 0.802 40 L CB -0.374 41.756 42.059 0.119 0.000 0.947 40 L HN 0.177 nan 8.230 nan 0.000 0.453 41 A N -0.645 122.276 122.820 0.168 0.000 2.386 41 A HA 0.399 4.719 4.320 -0.000 0.000 0.246 41 A C 0.481 178.172 177.584 0.177 0.000 1.089 41 A CA -0.023 52.145 52.037 0.218 0.000 0.790 41 A CB -0.114 19.146 19.000 0.434 0.000 1.042 41 A HN 0.311 nan 8.150 nan 0.000 0.497 42 S N 0.118 115.912 115.700 0.155 0.000 2.523 42 S HA 0.552 5.022 4.470 -0.000 0.000 0.275 42 S C 0.815 175.480 174.600 0.109 0.000 1.281 42 S CA 0.446 58.714 58.200 0.113 0.000 1.050 42 S CB 0.394 63.647 63.200 0.089 0.000 0.937 42 S HN 2.178 nan 8.310 nan 0.000 0.492 43 G N 2.655 111.509 108.800 0.090 0.000 2.632 43 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.224 43 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.224 43 G C -0.538 174.419 174.900 0.095 0.000 1.341 43 G CA -0.333 44.814 45.100 0.079 0.000 0.880 43 G HN 0.750 nan 8.290 nan 0.000 0.566 44 E N -0.345 119.903 120.200 0.080 0.000 2.249 44 E HA 0.598 4.948 4.350 -0.000 0.000 0.280 44 E C -0.435 176.225 176.600 0.101 0.000 1.016 44 E CA -0.172 56.282 56.400 0.090 0.000 0.830 44 E CB 0.865 30.604 29.700 0.065 0.000 1.081 44 E HN 0.469 nan 8.360 nan 0.000 0.395 45 T N 4.287 118.927 114.554 0.143 0.000 2.841 45 T HA 0.460 4.810 4.350 -0.000 0.000 0.283 45 T C -0.777 174.018 174.700 0.159 0.000 1.000 45 T CA -0.690 61.507 62.100 0.162 0.000 0.977 45 T CB 0.916 69.960 68.868 0.294 0.000 0.979 45 T HN 0.396 nan 8.240 nan 0.000 0.446 46 R N 2.687 123.261 120.500 0.124 0.000 2.480 46 R HA 0.654 4.994 4.340 -0.000 0.000 0.306 46 R C -0.925 175.456 176.300 0.136 0.000 0.958 46 R CA -0.676 55.500 56.100 0.127 0.000 0.861 46 R CB 1.710 32.056 30.300 0.077 0.000 1.171 46 R HN 0.510 nan 8.270 nan 0.000 0.445 47 I N 2.186 122.867 120.570 0.184 0.000 2.436 47 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 47 I C 0.109 176.322 176.117 0.159 0.000 1.010 47 I CA -0.716 60.680 61.300 0.160 0.000 1.098 47 I CB 2.273 40.374 38.000 0.167 0.000 1.266 47 I HN 0.613 nan 8.210 nan 0.000 0.434 48 T N 0.841 115.452 114.554 0.095 0.000 2.888 48 T HA 0.651 5.000 4.350 -0.000 0.000 0.284 48 T C 0.779 175.510 174.700 0.052 0.000 1.017 48 T CA -0.102 62.047 62.100 0.083 0.000 1.022 48 T CB 1.787 70.686 68.868 0.052 0.000 1.013 48 T HN 1.074 nan 8.240 nan 0.000 0.465 49 G N 0.847 109.680 108.800 0.056 0.000 2.143 49 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.249 49 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.249 49 G C -0.072 174.814 174.900 -0.024 0.000 0.981 49 G CA 0.032 45.141 45.100 0.016 0.000 0.665 49 G HN 1.068 nan 8.290 nan 0.000 0.528 50 L N 0.597 121.810 121.223 -0.016 0.000 2.525 50 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 50 L C 0.832 177.602 176.870 -0.168 0.000 1.218 50 L CA -0.498 54.236 54.840 -0.178 0.000 0.878 50 L CB 0.542 42.387 42.059 -0.356 0.000 1.127 50 L HN 0.323 nan 8.230 nan 0.000 0.492 51 L N 5.041 126.115 121.223 -0.249 0.000 2.418 51 L HA 0.172 4.512 4.340 -0.000 0.000 0.274 51 L C 0.399 177.138 176.870 -0.220 0.000 1.135 51 L CA 0.681 55.405 54.840 -0.195 0.000 0.870 51 L CB 0.316 42.242 42.059 -0.222 0.000 1.154 51 L HN 0.734 nan 8.230 nan 0.000 0.462 52 E N 4.340 124.486 120.200 -0.090 0.000 2.405 52 E HA 0.247 4.597 4.350 -0.000 0.000 0.214 52 E C 0.456 177.045 176.600 -0.020 0.000 1.101 52 E CA -0.217 56.152 56.400 -0.051 0.000 1.254 52 E CB 0.308 30.069 29.700 0.101 0.000 1.240 52 E HN 0.899 nan 8.360 nan 0.000 0.439 53 G N 0.633 109.399 108.800 -0.058 0.000 2.537 53 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.273 53 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.273 53 G C 0.605 175.482 174.900 -0.038 0.000 1.189 53 G CA -0.396 44.690 45.100 -0.023 0.000 0.881 53 G HN 0.143 nan 8.290 nan 0.000 0.535 54 E N -0.103 120.090 120.200 -0.013 0.000 2.097 54 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 54 E C 1.702 178.305 176.600 0.006 0.000 1.000 54 E CA 1.457 57.855 56.400 -0.002 0.000 0.804 54 E CB 0.058 29.760 29.700 0.003 0.000 0.740 54 E HN 0.469 nan 8.360 nan 0.000 0.454 55 D N 0.171 120.572 120.400 0.001 0.000 2.104 55 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 55 D C 2.026 178.384 176.300 0.097 0.000 0.994 55 D CA 0.883 54.938 54.000 0.091 0.000 0.830 55 D CB -0.245 40.625 40.800 0.118 0.000 0.959 55 D HN 0.015 nan 8.370 nan 0.000 0.452 56 V N 1.149 120.965 119.914 -0.163 0.000 2.427 56 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 56 V C 2.331 178.427 176.094 0.003 0.000 1.051 56 V CA 0.796 62.925 62.300 -0.286 0.000 1.048 56 V CB -0.213 31.304 31.823 -0.510 0.000 0.666 56 V HN 0.193 nan 8.190 nan 0.000 0.456 57 I N 0.807 121.376 120.570 -0.002 0.000 2.286 57 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 57 I C 2.267 178.399 176.117 0.026 0.000 1.115 57 I CA 1.415 62.742 61.300 0.045 0.000 1.392 57 I CB -1.450 36.561 38.000 0.018 0.000 1.065 57 I HN 0.393 nan 8.210 nan 0.000 0.418 58 N N 0.509 119.227 118.700 0.031 0.000 2.188 58 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 58 N C 1.821 177.302 175.510 -0.049 0.000 1.018 58 N CA 1.502 54.529 53.050 -0.037 0.000 0.858 58 N CB -0.349 38.130 38.487 -0.013 0.000 0.989 58 N HN 0.329 nan 8.380 nan 0.000 0.426 59 T N 0.054 114.713 114.554 0.174 0.000 2.821 59 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 59 T C 1.889 176.641 174.700 0.086 0.000 1.046 59 T CA 1.343 63.610 62.100 0.278 0.000 1.139 59 T CB -0.582 68.575 68.868 0.482 0.000 0.871 59 T HN 0.372 nan 8.240 nan 0.000 0.454 60 G N 1.727 110.540 108.800 0.022 0.000 2.446 60 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 60 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 60 G C 1.594 176.289 174.900 -0.342 0.000 1.168 60 G CA 0.742 45.535 45.100 -0.513 0.000 0.771 60 G HN 0.437 nan 8.290 nan 0.000 0.551 61 K N 0.573 120.842 120.400 -0.219 0.000 2.147 61 K HA 0.089 4.409 4.320 -0.000 0.000 0.205 61 K C 2.899 179.375 176.600 -0.207 0.000 1.049 61 K CA 0.875 57.046 56.287 -0.193 0.000 0.936 61 K CB -0.167 32.233 32.500 -0.166 0.000 0.722 61 K HN 0.281 nan 8.250 nan 0.000 0.446 62 A N 1.141 123.820 122.820 -0.236 0.000 1.898 62 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 62 A C 2.078 179.594 177.584 -0.114 0.000 1.181 62 A CA 1.257 53.160 52.037 -0.224 0.000 0.620 62 A CB -0.278 18.564 19.000 -0.263 0.000 0.819 62 A HN 0.102 nan 8.150 nan 0.000 0.442 63 M N -0.360 119.185 119.600 -0.093 0.000 2.175 63 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 63 M C 2.181 178.419 176.300 -0.103 0.000 1.063 63 M CA 1.349 56.604 55.300 -0.074 0.000 1.119 63 M CB -1.548 31.001 32.600 -0.084 0.000 1.377 63 M HN 0.531 nan 8.290 nan 0.000 0.415 64 Q N -0.192 119.523 119.800 -0.142 0.000 2.124 64 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 64 Q C 2.138 178.074 176.000 -0.108 0.000 0.977 64 Q CA 1.633 57.364 55.803 -0.119 0.000 0.850 64 Q CB -0.311 28.351 28.738 -0.127 0.000 0.901 64 Q HN 0.577 nan 8.270 nan 0.000 0.429 65 A N 0.453 123.198 122.820 -0.125 0.000 2.070 65 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 65 A C 1.718 179.221 177.584 -0.135 0.000 1.159 65 A CA 1.140 53.098 52.037 -0.132 0.000 0.656 65 A CB -0.244 18.662 19.000 -0.155 0.000 0.800 65 A HN 0.306 nan 8.150 nan 0.000 0.453 66 M N -1.642 117.888 119.600 -0.117 0.000 2.404 66 M HA 0.268 4.748 4.480 -0.000 0.000 0.271 66 M C 1.166 177.411 176.300 -0.093 0.000 1.128 66 M CA 0.681 55.908 55.300 -0.123 0.000 0.982 66 M CB 0.732 33.275 32.600 -0.094 0.000 1.445 66 M HN 0.553 nan 8.290 nan 0.000 0.495 67 G N 0.413 109.166 108.800 -0.078 0.000 2.231 67 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.206 67 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.206 67 G C 0.191 175.074 174.900 -0.028 0.000 0.996 67 G CA -0.175 44.895 45.100 -0.050 0.000 0.645 67 G HN 0.604 nan 8.290 nan 0.000 0.498 68 A N 0.499 123.300 122.820 -0.031 0.000 2.371 68 A HA 0.751 5.071 4.320 -0.000 0.000 0.257 68 A C 0.556 178.124 177.584 -0.028 0.000 1.089 68 A CA 0.124 52.151 52.037 -0.016 0.000 0.794 68 A CB 0.312 19.299 19.000 -0.021 0.000 1.029 68 A HN 0.454 nan 8.150 nan 0.000 0.488 69 R N 1.146 121.644 120.500 -0.003 0.000 2.295 69 R HA 0.581 4.921 4.340 -0.000 0.000 0.324 69 R C -1.171 175.138 176.300 0.014 0.000 0.968 69 R CA -0.103 55.996 56.100 -0.001 0.000 0.837 69 R CB 1.248 31.556 30.300 0.012 0.000 1.133 69 R HN 0.677 nan 8.270 nan 0.000 0.450 70 I N 3.766 124.339 120.570 0.005 0.000 2.509 70 I HA 0.528 4.698 4.170 -0.000 0.000 0.293 70 I C -0.110 176.089 176.117 0.137 0.000 1.020 70 I CA -0.930 60.407 61.300 0.062 0.000 1.088 70 I CB 1.876 39.813 38.000 -0.104 0.000 1.267 70 I HN 0.598 nan 8.210 nan 0.000 0.430 71 R N 3.939 124.557 120.500 0.197 0.000 2.710 71 R HA 0.571 4.911 4.340 -0.000 0.000 0.270 71 R C -1.728 174.488 176.300 -0.141 0.000 1.021 71 R CA -1.163 54.965 56.100 0.048 0.000 0.889 71 R CB 2.165 32.462 30.300 -0.006 0.000 1.243 71 R HN 0.445 nan 8.270 nan 0.000 0.464 72 K N 1.456 121.561 120.400 -0.493 0.000 2.358 72 K HA 0.199 4.519 4.320 -0.000 0.000 0.260 72 K C -1.301 175.044 176.600 -0.424 0.000 0.956 72 K CA -0.426 55.352 56.287 -0.849 0.000 0.834 72 K CB 1.783 33.375 32.500 -1.513 0.000 1.102 72 K HN 0.702 nan 8.250 nan 0.000 0.431 73 E N 3.554 123.575 120.200 -0.298 0.000 2.145 73 E HA 0.311 4.661 4.350 -0.000 0.000 0.262 73 E C 0.187 176.697 176.600 -0.151 0.000 0.883 73 E CA -0.053 56.246 56.400 -0.169 0.000 0.748 73 E CB 1.030 30.672 29.700 -0.097 0.000 1.140 73 E HN 0.917 nan 8.360 nan 0.000 0.417 74 G N 4.834 113.555 108.800 -0.133 0.000 2.591 74 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.298 74 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.298 74 G C 0.320 175.147 174.900 -0.121 0.000 1.195 74 G CA 0.368 45.410 45.100 -0.097 0.000 0.989 74 G HN 0.681 nan 8.290 nan 0.000 0.551 75 D N 1.472 121.825 120.400 -0.078 0.000 2.388 75 D HA 0.297 4.937 4.640 -0.000 0.000 0.221 75 D C 0.507 176.784 176.300 -0.037 0.000 1.133 75 D CA 0.839 54.807 54.000 -0.054 0.000 0.831 75 D CB 0.361 41.157 40.800 -0.007 0.000 0.962 75 D HN 0.333 nan 8.370 nan 0.000 0.502 76 T N 0.317 114.822 114.554 -0.082 0.000 2.797 76 T HA 0.283 4.633 4.350 -0.000 0.000 0.279 76 T C -0.426 174.239 174.700 -0.059 0.000 0.991 76 T CA -0.596 61.501 62.100 -0.006 0.000 0.979 76 T CB 1.284 70.162 68.868 0.016 0.000 0.943 76 T HN -0.041 nan 8.240 nan 0.000 0.444 77 W N 3.159 124.502 121.300 0.072 0.000 2.338 77 W HA 0.588 5.248 4.660 -0.000 0.000 0.307 77 W C -0.171 176.422 176.519 0.124 0.000 1.167 77 W CA -0.743 56.679 57.345 0.129 0.000 1.208 77 W CB 0.445 30.039 29.460 0.224 0.000 1.228 77 W HN 0.420 nan 8.180 nan 0.000 0.499 78 I N 5.485 126.218 120.570 0.272 0.000 2.404 78 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 78 I C -0.252 175.991 176.117 0.211 0.000 0.992 78 I CA -0.916 60.500 61.300 0.193 0.000 1.149 78 I CB 1.039 39.096 38.000 0.096 0.000 1.315 78 I HN 0.148 nan 8.210 nan 0.000 0.446 79 I N 4.739 125.429 120.570 0.200 0.000 2.465 79 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 79 I C -0.936 175.259 176.117 0.130 0.000 1.014 79 I CA -0.697 60.704 61.300 0.169 0.000 1.093 79 I CB 2.066 40.192 38.000 0.210 0.000 1.267 79 I HN 0.447 nan 8.210 nan 0.000 0.431 80 D N 5.864 126.320 120.400 0.094 0.000 2.412 80 D HA 0.306 4.946 4.640 -0.000 0.000 0.224 80 D C 0.265 176.614 176.300 0.080 0.000 1.093 80 D CA -0.007 54.041 54.000 0.080 0.000 0.850 80 D CB 2.135 42.968 40.800 0.055 0.000 1.046 80 D HN 0.710 nan 8.370 nan 0.000 0.507 81 G N 0.139 109.001 108.800 0.104 0.000 2.572 81 G HA2 0.306 4.266 3.960 -0.000 0.000 0.261 81 G HA3 0.306 4.266 3.960 -0.000 0.000 0.261 81 G C 1.243 176.194 174.900 0.085 0.000 1.197 81 G CA -0.585 44.579 45.100 0.107 0.000 0.870 81 G HN 0.314 nan 8.290 nan 0.000 0.548 82 V N -1.717 118.246 119.914 0.081 0.000 3.506 82 V HA 0.550 4.670 4.120 -0.000 0.000 0.263 82 V C 1.137 177.284 176.094 0.090 0.000 1.203 82 V CA 0.545 62.889 62.300 0.074 0.000 1.133 82 V CB -1.104 30.757 31.823 0.064 0.000 0.802 82 V HN 2.152 nan 8.190 nan 0.000 0.459 83 G N 1.186 110.048 108.800 0.103 0.000 2.777 83 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 83 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 83 G C -0.572 174.398 174.900 0.117 0.000 1.177 83 G CA -0.176 44.986 45.100 0.103 0.000 0.775 83 G HN 0.768 nan 8.290 nan 0.000 0.613 84 N N 0.810 119.573 118.700 0.106 0.000 2.412 84 N HA 0.461 5.201 4.740 -0.000 0.000 0.258 84 N C 1.667 177.255 175.510 0.130 0.000 1.236 84 N CA 2.074 55.192 53.050 0.113 0.000 0.882 84 N CB 0.511 39.037 38.487 0.066 0.000 1.066 84 N HN 2.224 nan 8.380 nan 0.000 0.465 85 G N 1.765 110.695 108.800 0.217 0.000 2.176 85 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 85 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 85 G C 0.768 175.879 174.900 0.351 0.000 0.979 85 G CA 0.422 45.647 45.100 0.210 0.000 0.641 85 G HN 0.868 nan 8.290 nan 0.000 0.530 86 G N -0.114 108.861 108.800 0.292 0.000 3.088 86 G HA2 0.494 4.454 3.960 -0.000 0.000 0.217 86 G HA3 0.494 4.454 3.960 -0.000 0.000 0.217 86 G C 0.764 175.768 174.900 0.173 0.000 1.159 86 G CA -0.116 45.113 45.100 0.215 0.000 0.760 86 G HN 0.558 nan 8.290 nan 0.000 0.550 87 L N 1.257 122.560 121.223 0.134 0.000 2.485 87 L HA 0.226 4.566 4.340 -0.000 0.000 0.275 87 L C 0.235 177.125 176.870 0.032 0.000 1.207 87 L CA -0.016 54.789 54.840 -0.058 0.000 0.855 87 L CB 0.803 42.624 42.059 -0.397 0.000 1.114 87 L HN -0.009 nan 8.230 nan 0.000 0.485 88 L N 2.627 123.793 121.223 -0.096 0.000 2.344 88 L HA 0.548 4.888 4.340 -0.000 0.000 0.272 88 L C 0.492 176.938 176.870 -0.705 0.000 1.035 88 L CA -0.827 53.859 54.840 -0.257 0.000 0.807 88 L CB 1.437 43.391 42.059 -0.175 0.000 1.237 88 L HN 0.673 nan 8.230 nan 0.000 0.442 89 A N 3.496 125.607 122.820 -1.182 0.000 2.524 89 A HA 0.362 4.682 4.320 -0.000 0.000 0.250 89 A C -2.092 175.132 177.584 -0.601 0.000 1.078 89 A CA -0.846 50.314 52.037 -1.461 0.000 0.761 89 A CB -0.739 17.633 19.000 -1.047 0.000 1.012 89 A HN 0.451 nan 8.150 nan 0.000 0.500 90 P HA 0.140 nan 4.420 nan 0.000 0.275 90 P C 0.148 177.334 177.300 -0.189 0.000 1.227 90 P CA -0.081 62.873 63.100 -0.243 0.000 0.781 90 P CB 1.011 32.594 31.700 -0.195 0.000 0.906 91 E N 1.042 121.151 120.200 -0.152 0.000 2.107 91 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 91 E C 0.786 177.329 176.600 -0.094 0.000 0.982 91 E CA 0.811 57.143 56.400 -0.113 0.000 0.809 91 E CB 0.179 29.821 29.700 -0.096 0.000 0.756 91 E HN 0.602 nan 8.360 nan 0.000 0.459 92 A N 0.876 123.633 122.820 -0.105 0.000 2.486 92 A HA 0.554 4.874 4.320 -0.000 0.000 0.289 92 A C -2.616 174.898 177.584 -0.117 0.000 1.176 92 A CA -1.465 50.516 52.037 -0.092 0.000 0.757 92 A CB 0.587 19.536 19.000 -0.085 0.000 1.337 92 A HN -0.173 nan 8.150 nan 0.000 0.423 93 P HA 0.295 nan 4.420 nan 0.000 0.267 93 P C -1.064 176.124 177.300 -0.187 0.000 1.200 93 P CA 0.196 63.219 63.100 -0.128 0.000 0.772 93 P CB 0.246 31.904 31.700 -0.069 0.000 0.855 94 L N 2.653 123.713 121.223 -0.272 0.000 2.260 94 L HA 0.254 4.594 4.340 -0.000 0.000 0.289 94 L C 0.549 177.230 176.870 -0.315 0.000 1.057 94 L CA -0.345 54.276 54.840 -0.364 0.000 0.811 94 L CB 0.342 42.154 42.059 -0.411 0.000 1.184 94 L HN 0.297 nan 8.230 nan 0.000 0.429 95 D N 2.902 123.085 120.400 -0.362 0.000 2.396 95 D HA 0.163 4.803 4.640 -0.000 0.000 0.225 95 D C 0.179 176.269 176.300 -0.350 0.000 1.121 95 D CA -0.171 53.698 54.000 -0.218 0.000 0.853 95 D CB 0.732 41.448 40.800 -0.139 0.000 1.043 95 D HN 0.255 nan 8.370 nan 0.000 0.500 96 F N 2.265 122.238 119.950 0.037 0.000 2.732 96 F HA 0.238 4.765 4.527 -0.000 0.000 0.303 96 F C 2.101 177.927 175.800 0.043 0.000 1.110 96 F CA 0.331 58.362 58.000 0.052 0.000 1.355 96 F CB 0.208 39.257 39.000 0.082 0.000 1.081 96 F HN 0.629 nan 8.300 nan 0.000 0.565 97 G N 1.399 110.270 108.800 0.118 0.000 2.672 97 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.332 97 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.332 97 G C 1.240 176.202 174.900 0.104 0.000 1.213 97 G CA 0.809 45.960 45.100 0.085 0.000 0.980 97 G HN 0.403 nan 8.290 nan 0.000 0.548 98 N N 2.052 120.804 118.700 0.088 0.000 2.280 98 N HA 0.346 5.086 4.740 -0.000 0.000 0.192 98 N C 0.866 176.425 175.510 0.082 0.000 1.109 98 N CA 0.734 53.828 53.050 0.072 0.000 0.855 98 N CB 0.035 38.541 38.487 0.032 0.000 0.974 98 N HN 0.829 nan 8.380 nan 0.000 0.482 99 A N 0.545 123.442 122.820 0.128 0.000 2.391 99 A HA 0.572 4.892 4.320 -0.000 0.000 0.316 99 A C 1.032 178.629 177.584 0.022 0.000 1.381 99 A CA -0.358 51.744 52.037 0.108 0.000 0.998 99 A CB 0.551 19.678 19.000 0.211 0.000 1.147 99 A HN 0.281 nan 8.150 nan 0.000 0.545 100 A N 2.403 125.207 122.820 -0.026 0.000 2.014 100 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 100 A C 2.087 179.551 177.584 -0.200 0.000 1.163 100 A CA 2.205 54.183 52.037 -0.097 0.000 0.652 100 A CB -0.647 18.321 19.000 -0.054 0.000 0.808 100 A HN 0.622 nan 8.150 nan 0.000 0.449 101 T N -0.064 114.349 114.554 -0.236 0.000 2.652 101 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 101 T C 1.992 176.403 174.700 -0.482 0.000 1.039 101 T CA 1.662 63.541 62.100 -0.367 0.000 1.153 101 T CB -0.648 67.904 68.868 -0.526 0.000 0.863 101 T HN 0.568 nan 8.240 nan 0.000 0.428 102 G N -0.148 108.315 108.800 -0.561 0.000 2.402 102 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 102 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 102 G C 2.002 176.373 174.900 -0.883 0.000 1.162 102 G CA 0.990 45.869 45.100 -0.368 0.000 0.777 102 G HN 0.581 nan 8.290 nan 0.000 0.539 103 C N 0.564 119.218 119.300 -1.077 0.000 2.442 103 C HA 0.028 4.488 4.460 -0.000 0.000 0.279 103 C C 3.050 177.661 174.990 -0.632 0.000 1.237 103 C CA 1.337 59.651 59.018 -1.173 0.000 1.722 103 C CB -0.892 26.552 27.740 -0.493 0.000 2.056 103 C HN 0.494 nan 8.230 nan 0.000 0.469 104 R N -0.174 120.076 120.500 -0.418 0.000 2.081 104 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 104 R C 1.977 178.122 176.300 -0.259 0.000 1.131 104 R CA 1.348 57.260 56.100 -0.312 0.000 0.960 104 R CB -0.514 29.659 30.300 -0.212 0.000 0.856 104 R HN 0.407 nan 8.270 nan 0.000 0.436 105 L N 0.148 121.236 121.223 -0.225 0.000 2.093 105 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 105 L C 2.247 179.070 176.870 -0.079 0.000 1.085 105 L CA 1.776 56.543 54.840 -0.122 0.000 0.755 105 L CB -0.659 41.344 42.059 -0.093 0.000 0.904 105 L HN 0.136 nan 8.230 nan 0.000 0.435 106 T N -1.194 113.295 114.554 -0.109 0.000 2.915 106 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 106 T C 1.941 176.710 174.700 0.116 0.000 1.071 106 T CA 1.048 63.200 62.100 0.086 0.000 1.132 106 T CB -0.162 68.859 68.868 0.254 0.000 0.878 106 T HN 0.208 nan 8.240 nan 0.000 0.479 107 M N 0.920 120.395 119.600 -0.208 0.000 2.117 107 M HA -0.021 4.459 4.480 -0.000 0.000 0.262 107 M C 2.745 178.957 176.300 -0.146 0.000 1.065 107 M CA 1.733 56.772 55.300 -0.435 0.000 1.114 107 M CB -0.634 31.544 32.600 -0.704 0.000 1.361 107 M HN 0.381 nan 8.290 nan 0.000 0.408 108 G N 0.149 108.881 108.800 -0.113 0.000 2.402 108 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 108 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 108 G C 1.404 176.322 174.900 0.031 0.000 1.162 108 G CA 0.472 45.539 45.100 -0.055 0.000 0.777 108 G HN 0.311 nan 8.290 nan 0.000 0.539 109 L N 1.273 122.541 121.223 0.075 0.000 1.994 109 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 109 L C 2.773 179.768 176.870 0.208 0.000 1.071 109 L CA 2.471 57.398 54.840 0.144 0.000 0.745 109 L CB -0.283 41.866 42.059 0.150 0.000 0.892 109 L HN 0.226 nan 8.230 nan 0.000 0.431 110 V N -4.170 115.855 119.914 0.185 0.000 3.644 110 V HA 0.379 4.499 4.120 -0.000 0.000 0.267 110 V C 2.168 178.357 176.094 0.158 0.000 1.277 110 V CA 0.613 63.006 62.300 0.156 0.000 1.096 110 V CB -0.927 30.982 31.823 0.143 0.000 0.828 110 V HN 0.332 nan 8.190 nan 0.000 0.446 111 G N 1.754 110.639 108.800 0.142 0.000 2.448 111 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 111 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 111 G C 1.403 176.311 174.900 0.014 0.000 1.127 111 G CA 1.650 46.792 45.100 0.071 0.000 0.766 111 G HN 0.969 nan 8.290 nan 0.000 0.552 112 V N -3.254 116.679 119.914 0.031 0.000 3.623 112 V HA 0.351 4.471 4.120 -0.000 0.000 0.271 112 V C 0.635 176.639 176.094 -0.149 0.000 1.248 112 V CA -0.772 61.495 62.300 -0.055 0.000 1.156 112 V CB -1.222 30.555 31.823 -0.078 0.000 0.870 112 V HN 0.144 nan 8.190 nan 0.000 0.453 113 Y N 0.754 120.858 120.300 -0.327 0.000 2.301 113 Y HA 0.477 5.027 4.550 -0.000 0.000 0.325 113 Y C 0.928 176.492 175.900 -0.560 0.000 1.203 113 Y CA -0.668 57.108 58.100 -0.541 0.000 1.255 113 Y CB 0.828 38.652 38.460 -1.060 0.000 1.232 113 Y HN 0.039 nan 8.280 nan 0.000 0.501 114 D N 3.419 123.676 120.400 -0.239 0.000 2.982 114 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 114 D C -1.360 174.975 176.300 0.058 0.000 1.168 114 D CA 0.273 54.224 54.000 -0.082 0.000 0.947 114 D CB -1.202 39.590 40.800 -0.013 0.000 1.147 114 D HN 0.299 nan 8.370 nan 0.000 0.450 115 F N -1.873 118.146 119.950 0.115 0.000 2.711 115 F HA 0.495 5.022 4.527 -0.000 0.000 0.313 115 F C -0.685 175.160 175.800 0.076 0.000 1.141 115 F CA -1.613 56.435 58.000 0.080 0.000 0.941 115 F CB 0.448 39.490 39.000 0.069 0.000 1.349 115 F HN -0.359 nan 8.300 nan 0.000 0.464 116 D N 1.257 121.893 120.400 0.394 0.000 2.302 116 D HA 0.500 5.140 4.640 -0.000 0.000 0.248 116 D C -0.593 175.889 176.300 0.304 0.000 1.094 116 D CA 0.090 54.248 54.000 0.263 0.000 0.897 116 D CB 1.646 42.536 40.800 0.149 0.000 1.200 116 D HN 0.783 nan 8.370 nan 0.000 0.429 117 S N 0.009 115.856 115.700 0.245 0.000 2.547 117 S HA 0.652 5.122 4.470 -0.000 0.000 0.281 117 S C -0.542 174.117 174.600 0.098 0.000 1.118 117 S CA -0.816 57.474 58.200 0.150 0.000 0.947 117 S CB 1.730 65.069 63.200 0.231 0.000 1.053 117 S HN 0.172 nan 8.310 nan 0.000 0.482 118 T N 3.104 117.596 114.554 -0.103 0.000 2.829 118 T HA 0.657 5.007 4.350 -0.000 0.000 0.280 118 T C -1.355 173.196 174.700 -0.249 0.000 0.999 118 T CA -0.281 61.808 62.100 -0.018 0.000 0.983 118 T CB 0.353 69.225 68.868 0.008 0.000 0.968 118 T HN 0.523 nan 8.240 nan 0.000 0.446 119 F N 3.689 123.703 119.950 0.106 0.000 2.467 119 F HA 0.681 5.208 4.527 -0.000 0.000 0.336 119 F C 0.340 176.215 175.800 0.124 0.000 1.123 119 F CA -1.237 56.859 58.000 0.161 0.000 0.964 119 F CB 1.039 40.120 39.000 0.136 0.000 1.136 119 F HN 0.433 nan 8.300 nan 0.000 0.447 120 I N -0.337 120.385 120.570 0.253 0.000 3.145 120 I HA 1.104 5.274 4.170 -0.000 0.000 0.313 120 I C -0.319 175.909 176.117 0.186 0.000 1.122 120 I CA -0.904 60.498 61.300 0.170 0.000 0.987 120 I CB 2.405 40.454 38.000 0.081 0.000 1.236 120 I HN 0.644 nan 8.210 nan 0.000 0.453 121 G N 1.249 110.127 108.800 0.131 0.000 2.619 121 G HA2 0.449 4.409 3.960 -0.000 0.000 0.305 121 G HA3 0.449 4.409 3.960 -0.000 0.000 0.305 121 G C -1.935 173.012 174.900 0.080 0.000 1.330 121 G CA -0.264 44.910 45.100 0.124 0.000 0.789 121 G HN 0.910 nan 8.290 nan 0.000 0.487 122 D N -0.655 119.789 120.400 0.073 0.000 2.447 122 D HA 0.504 5.144 4.640 -0.000 0.000 0.265 122 D C 1.701 178.032 176.300 0.053 0.000 1.250 122 D CA 0.324 54.356 54.000 0.054 0.000 1.046 122 D CB 0.605 41.434 40.800 0.049 0.000 1.095 122 D HN 0.649 nan 8.370 nan 0.000 0.555 123 A N -0.318 122.529 122.820 0.046 0.000 1.978 123 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 123 A C 2.187 179.801 177.584 0.050 0.000 1.170 123 A CA 2.380 54.444 52.037 0.045 0.000 0.636 123 A CB -1.083 17.941 19.000 0.041 0.000 0.810 123 A HN 0.544 nan 8.150 nan 0.000 0.448 124 S N -0.854 114.881 115.700 0.057 0.000 2.357 124 S HA -0.097 4.373 4.470 -0.000 0.000 0.221 124 S C 1.923 176.556 174.600 0.056 0.000 1.031 124 S CA 1.337 59.575 58.200 0.062 0.000 0.982 124 S CB -0.412 62.833 63.200 0.074 0.000 0.853 124 S HN 0.452 nan 8.310 nan 0.000 0.458 125 L N 1.875 123.135 121.223 0.061 0.000 2.131 125 L HA 0.041 4.381 4.340 -0.000 0.000 0.210 125 L C 2.300 179.200 176.870 0.050 0.000 1.092 125 L CA 2.107 56.982 54.840 0.058 0.000 0.759 125 L CB -1.253 40.853 42.059 0.080 0.000 0.903 125 L HN 0.311 nan 8.230 nan 0.000 0.435 126 T N -0.863 113.723 114.554 0.053 0.000 3.007 126 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 126 T C 1.645 176.365 174.700 0.034 0.000 1.107 126 T CA 1.173 63.302 62.100 0.047 0.000 1.118 126 T CB -0.122 68.775 68.868 0.049 0.000 0.889 126 T HN 0.371 nan 8.240 nan 0.000 0.506 127 K N 0.259 120.678 120.400 0.031 0.000 2.367 127 K HA 0.181 4.501 4.320 -0.000 0.000 0.194 127 K C 0.711 177.319 176.600 0.014 0.000 1.027 127 K CA 0.014 56.313 56.287 0.021 0.000 1.075 127 K CB 0.461 32.974 32.500 0.022 0.000 0.845 127 K HN 0.203 nan 8.250 nan 0.000 0.529 128 R N 2.116 122.625 120.500 0.015 0.000 2.490 128 R HA 0.145 4.485 4.340 -0.000 0.000 0.278 128 R C -2.436 173.860 176.300 -0.006 0.000 1.069 128 R CA -1.878 54.225 56.100 0.005 0.000 1.080 128 R CB 0.174 30.479 30.300 0.009 0.000 1.030 128 R HN -0.051 nan 8.270 nan 0.000 0.491 129 P HA -0.005 nan 4.420 nan 0.000 0.271 129 P C -0.276 177.002 177.300 -0.036 0.000 1.226 129 P CA 0.233 63.321 63.100 -0.020 0.000 0.765 129 P CB 0.866 32.557 31.700 -0.015 0.000 0.835 130 M N 2.176 121.748 119.600 -0.046 0.000 2.308 130 M HA 0.127 4.607 4.480 -0.000 0.000 0.269 130 M C 2.017 178.271 176.300 -0.077 0.000 1.040 130 M CA 0.321 55.575 55.300 -0.077 0.000 1.024 130 M CB -0.868 31.674 32.600 -0.097 0.000 1.465 130 M HN 0.421 nan 8.290 nan 0.000 0.517 131 G N 2.153 110.923 108.800 -0.050 0.000 2.450 131 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 131 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 131 G C 1.617 176.490 174.900 -0.044 0.000 1.130 131 G CA 0.839 45.913 45.100 -0.044 0.000 0.760 131 G HN 0.597 nan 8.290 nan 0.000 0.557 132 R N 0.402 120.881 120.500 -0.034 0.000 2.159 132 R HA -0.031 4.309 4.340 -0.000 0.000 0.237 132 R C 2.165 178.427 176.300 -0.064 0.000 1.131 132 R CA 1.796 57.887 56.100 -0.015 0.000 0.982 132 R CB -0.700 29.599 30.300 -0.001 0.000 0.868 132 R HN 0.516 nan 8.270 nan 0.000 0.453 133 V N -2.392 117.457 119.914 -0.109 0.000 3.212 133 V HA 0.158 4.278 4.120 -0.000 0.000 0.244 133 V C 2.016 178.000 176.094 -0.183 0.000 1.151 133 V CA 0.111 62.313 62.300 -0.164 0.000 1.119 133 V CB -0.341 31.379 31.823 -0.172 0.000 0.838 133 V HN 0.128 nan 8.190 nan 0.000 0.470 134 L N 0.909 122.042 121.223 -0.149 0.000 2.201 134 L HA -0.030 4.310 4.340 -0.000 0.000 0.212 134 L C 2.608 179.406 176.870 -0.121 0.000 1.105 134 L CA 1.509 56.268 54.840 -0.135 0.000 0.775 134 L CB -0.815 41.180 42.059 -0.107 0.000 0.913 134 L HN 0.347 nan 8.230 nan 0.000 0.440 135 N N 0.022 118.655 118.700 -0.111 0.000 2.106 135 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 135 N C -0.734 174.683 175.510 -0.155 0.000 1.029 135 N CA 1.395 54.391 53.050 -0.089 0.000 0.848 135 N CB -1.311 37.161 38.487 -0.024 0.000 1.007 135 N HN 0.233 nan 8.380 nan 0.000 0.423 136 P HA -0.074 nan 4.420 nan 0.000 0.218 136 P C 1.620 178.768 177.300 -0.254 0.000 1.149 136 P CA 0.924 63.745 63.100 -0.465 0.000 0.817 136 P CB 0.003 31.116 31.700 -0.979 0.000 0.785 137 L N -0.708 120.390 121.223 -0.208 0.000 2.083 137 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 137 L C 2.928 179.738 176.870 -0.099 0.000 1.083 137 L CA 1.393 56.148 54.840 -0.141 0.000 0.752 137 L CB -0.695 41.284 42.059 -0.133 0.000 0.899 137 L HN -0.093 nan 8.230 nan 0.000 0.433 138 R N -0.080 120.367 120.500 -0.089 0.000 2.096 138 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 138 R C 2.191 178.462 176.300 -0.048 0.000 1.127 138 R CA 1.312 57.378 56.100 -0.057 0.000 0.968 138 R CB -0.230 30.044 30.300 -0.044 0.000 0.861 138 R HN 0.388 nan 8.270 nan 0.000 0.440 139 E N 0.639 120.806 120.200 -0.055 0.000 2.153 139 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 139 E C 1.592 178.169 176.600 -0.038 0.000 0.988 139 E CA 1.034 57.414 56.400 -0.034 0.000 0.811 139 E CB 0.110 29.799 29.700 -0.018 0.000 0.746 139 E HN 0.290 nan 8.360 nan 0.000 0.466 140 M N -1.152 118.413 119.600 -0.058 0.000 2.618 140 M HA 0.094 4.574 4.480 -0.000 0.000 0.240 140 M C 1.119 177.390 176.300 -0.049 0.000 1.123 140 M CA 0.842 56.110 55.300 -0.054 0.000 1.060 140 M CB 0.897 33.455 32.600 -0.070 0.000 1.535 140 M HN 0.319 nan 8.290 nan 0.000 0.507 141 G N 0.316 109.090 108.800 -0.043 0.000 2.163 141 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 141 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 141 G C -0.002 174.876 174.900 -0.036 0.000 0.991 141 G CA -0.428 44.650 45.100 -0.036 0.000 0.653 141 G HN 0.273 nan 8.290 nan 0.000 0.518 142 V N 1.366 121.255 119.914 -0.042 0.000 2.614 142 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 142 V C 0.789 176.869 176.094 -0.024 0.000 1.049 142 V CA 0.023 62.302 62.300 -0.035 0.000 1.038 142 V CB 1.562 33.358 31.823 -0.045 0.000 0.980 142 V HN 0.427 nan 8.190 nan 0.000 0.481 143 Q N 2.775 122.569 119.800 -0.009 0.000 2.274 143 Q HA 0.525 4.865 4.340 -0.000 0.000 0.256 143 Q C -1.074 174.930 176.000 0.008 0.000 0.927 143 Q CA -0.401 55.402 55.803 0.000 0.000 0.939 143 Q CB 1.967 30.711 28.738 0.010 0.000 1.201 143 Q HN 0.596 nan 8.270 nan 0.000 0.426 144 V N 3.438 123.352 119.914 0.001 0.000 2.448 144 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 144 V C -0.456 175.646 176.094 0.013 0.000 1.025 144 V CA -0.788 61.514 62.300 0.003 0.000 0.859 144 V CB 1.682 33.492 31.823 -0.021 0.000 0.988 144 V HN 0.650 nan 8.190 nan 0.000 0.431 145 K N 3.490 123.907 120.400 0.029 0.000 2.483 145 K HA 0.649 4.969 4.320 -0.000 0.000 0.256 145 K C -0.408 176.213 176.600 0.035 0.000 0.961 145 K CA -0.243 56.063 56.287 0.031 0.000 0.873 145 K CB 1.862 34.387 32.500 0.041 0.000 1.107 145 K HN 0.868 nan 8.250 nan 0.000 0.432 146 S N 1.415 117.129 115.700 0.022 0.000 2.667 146 S HA 0.459 4.929 4.470 -0.000 0.000 0.292 146 S C -0.417 174.195 174.600 0.019 0.000 1.126 146 S CA -1.102 57.111 58.200 0.021 0.000 0.881 146 S CB 1.841 65.043 63.200 0.003 0.000 1.132 146 S HN 0.280 nan 8.310 nan 0.000 0.492 147 E N 1.287 121.499 120.200 0.021 0.000 2.374 147 E HA 0.267 4.617 4.350 -0.000 0.000 0.260 147 E C -0.614 175.993 176.600 0.011 0.000 1.101 147 E CA -0.379 56.032 56.400 0.018 0.000 0.907 147 E CB 0.274 29.987 29.700 0.022 0.000 1.014 147 E HN 0.604 nan 8.360 nan 0.000 0.427 148 D N 0.220 120.626 120.400 0.010 0.000 2.583 148 D HA 0.109 4.749 4.640 -0.000 0.000 0.232 148 D C 1.114 177.416 176.300 0.004 0.000 1.128 148 D CA 1.625 55.629 54.000 0.006 0.000 0.859 148 D CB 0.265 41.069 40.800 0.006 0.000 1.169 148 D HN 0.665 nan 8.370 nan 0.000 0.481 149 G N 2.247 111.047 108.800 0.000 0.000 2.141 149 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.242 149 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.242 149 G C 0.184 175.080 174.900 -0.006 0.000 0.982 149 G CA 0.117 45.216 45.100 -0.002 0.000 0.662 149 G HN 0.675 nan 8.290 nan 0.000 0.527 150 D N -1.440 118.956 120.400 -0.007 0.000 2.746 150 D HA -0.124 4.516 4.640 -0.000 0.000 0.241 150 D C 0.740 177.031 176.300 -0.015 0.000 1.140 150 D CA 1.636 55.627 54.000 -0.015 0.000 0.707 150 D CB -0.338 40.447 40.800 -0.025 0.000 1.034 150 D HN 0.762 nan 8.370 nan 0.000 0.423 151 R N -0.446 120.053 120.500 -0.003 0.000 2.873 151 R HA 0.681 5.021 4.340 -0.000 0.000 0.264 151 R C 0.188 176.499 176.300 0.018 0.000 1.026 151 R CA -0.756 55.346 56.100 0.004 0.000 1.002 151 R CB 0.896 31.203 30.300 0.011 0.000 1.174 151 R HN 0.088 nan 8.270 nan 0.000 0.488 152 L N 2.627 123.869 121.223 0.032 0.000 2.473 152 L HA 0.289 4.629 4.340 -0.000 0.000 0.268 152 L C -1.769 175.135 176.870 0.058 0.000 1.215 152 L CA -1.571 53.307 54.840 0.063 0.000 0.823 152 L CB 0.314 42.425 42.059 0.087 0.000 1.099 152 L HN 0.315 nan 8.230 nan 0.000 0.483 153 P HA 0.160 nan 4.420 nan 0.000 0.271 153 P C -1.057 176.304 177.300 0.101 0.000 1.218 153 P CA -0.159 63.000 63.100 0.098 0.000 0.780 153 P CB 1.008 32.757 31.700 0.081 0.000 0.901 154 V N 2.490 122.498 119.914 0.157 0.000 2.709 154 V HA 0.421 4.541 4.120 -0.000 0.000 0.308 154 V C -0.206 176.031 176.094 0.238 0.000 1.062 154 V CA -0.278 62.108 62.300 0.144 0.000 0.901 154 V CB 2.403 34.269 31.823 0.072 0.000 1.003 154 V HN 0.465 nan 8.190 nan 0.000 0.425 155 T N 6.216 120.871 114.554 0.168 0.000 2.792 155 T HA 0.694 5.044 4.350 -0.000 0.000 0.280 155 T C -0.570 174.227 174.700 0.161 0.000 0.990 155 T CA -0.287 61.925 62.100 0.188 0.000 0.960 155 T CB 0.912 69.850 68.868 0.118 0.000 0.939 155 T HN 0.349 nan 8.240 nan 0.000 0.439 156 L N 2.706 124.060 121.223 0.219 0.000 2.330 156 L HA 0.834 5.174 4.340 -0.000 0.000 0.271 156 L C -0.085 176.863 176.870 0.130 0.000 1.013 156 L CA -1.241 53.687 54.840 0.146 0.000 0.816 156 L CB 1.596 43.750 42.059 0.158 0.000 1.287 156 L HN 0.337 nan 8.230 nan 0.000 0.435 157 R N 1.087 121.631 120.500 0.073 0.000 2.518 157 R HA 0.512 4.852 4.340 -0.000 0.000 0.296 157 R C -0.589 175.717 176.300 0.011 0.000 1.080 157 R CA -0.434 55.700 56.100 0.056 0.000 0.922 157 R CB 1.355 31.689 30.300 0.057 0.000 1.184 157 R HN 0.711 nan 8.270 nan 0.000 0.445 158 G N 4.224 113.008 108.800 -0.027 0.000 2.539 158 G HA2 0.412 4.372 3.960 -0.000 0.000 0.258 158 G HA3 0.412 4.372 3.960 -0.000 0.000 0.258 158 G C -2.281 172.589 174.900 -0.049 0.000 1.202 158 G CA -1.007 44.059 45.100 -0.056 0.000 0.851 158 G HN 0.554 nan 8.290 nan 0.000 0.556 159 P HA 0.186 nan 4.420 nan 0.000 0.278 159 P C 0.401 177.668 177.300 -0.056 0.000 1.266 159 P CA -0.571 62.504 63.100 -0.043 0.000 0.807 159 P CB 1.979 33.653 31.700 -0.043 0.000 1.094 160 K N -0.139 120.238 120.400 -0.039 0.000 2.097 160 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 160 K C -0.018 176.545 176.600 -0.061 0.000 1.049 160 K CA 1.323 57.586 56.287 -0.040 0.000 0.933 160 K CB -0.170 32.317 32.500 -0.022 0.000 0.717 160 K HN 0.445 nan 8.250 nan 0.000 0.442 161 T N 3.068 117.588 114.554 -0.057 0.000 2.930 161 T HA 0.324 4.674 4.350 -0.000 0.000 0.313 161 T C -2.698 171.964 174.700 -0.064 0.000 1.019 161 T CA -1.461 60.600 62.100 -0.064 0.000 1.004 161 T CB 1.928 70.769 68.868 -0.046 0.000 0.987 161 T HN 0.028 nan 8.240 nan 0.000 0.456 162 P HA 0.337 nan 4.420 nan 0.000 0.272 162 P C -0.442 176.824 177.300 -0.056 0.000 1.230 162 P CA -0.382 62.675 63.100 -0.073 0.000 0.788 162 P CB 0.423 32.066 31.700 -0.094 0.000 0.949 163 T N 3.442 117.968 114.554 -0.047 0.000 2.767 163 T HA 0.398 4.748 4.350 -0.000 0.000 0.284 163 T C -2.332 172.348 174.700 -0.033 0.000 0.973 163 T CA -1.404 60.675 62.100 -0.035 0.000 0.996 163 T CB 0.693 69.545 68.868 -0.026 0.000 0.927 163 T HN 0.338 nan 8.240 nan 0.000 0.456 164 P HA 0.410 nan 4.420 nan 0.000 0.275 164 P C -0.578 176.718 177.300 -0.007 0.000 1.227 164 P CA -0.492 62.596 63.100 -0.020 0.000 0.781 164 P CB 0.748 32.437 31.700 -0.019 0.000 0.906 165 I N -1.677 118.895 120.570 0.004 0.000 3.108 165 I HA 0.638 4.808 4.170 -0.000 0.000 0.312 165 I C -0.795 175.352 176.117 0.051 0.000 1.095 165 I CA -0.961 60.357 61.300 0.030 0.000 1.000 165 I CB 2.285 40.310 38.000 0.043 0.000 1.229 165 I HN 0.023 nan 8.210 nan 0.000 0.454 166 T N 2.176 116.771 114.554 0.069 0.000 2.809 166 T HA 0.386 4.736 4.350 -0.000 0.000 0.296 166 T C -1.439 173.331 174.700 0.117 0.000 1.015 166 T CA -0.115 62.025 62.100 0.066 0.000 0.954 166 T CB 0.238 69.123 68.868 0.028 0.000 0.950 166 T HN 0.503 nan 8.240 nan 0.000 0.450 167 Y N 3.146 123.437 120.300 -0.016 0.000 2.328 167 Y HA 0.507 5.056 4.550 -0.000 0.000 0.336 167 Y C 0.203 176.093 175.900 -0.015 0.000 0.960 167 Y CA -1.167 56.923 58.100 -0.017 0.000 1.134 167 Y CB 0.887 39.335 38.460 -0.019 0.000 1.166 167 Y HN 0.447 nan 8.280 nan 0.000 0.464 168 R N 5.782 125.951 120.500 -0.552 0.000 2.202 168 R HA 0.428 4.768 4.340 -0.000 0.000 0.334 168 R C -1.346 174.602 176.300 -0.587 0.000 1.036 168 R CA -0.488 55.374 56.100 -0.397 0.000 0.878 168 R CB 0.543 30.680 30.300 -0.271 0.000 1.067 168 R HN 0.581 nan 8.270 nan 0.000 0.457 169 V N 8.184 127.938 119.914 -0.268 0.000 2.485 169 V HA 0.072 4.192 4.120 -0.000 0.000 0.287 169 V C -1.048 174.981 176.094 -0.108 0.000 1.022 169 V CA -0.955 61.280 62.300 -0.107 0.000 1.067 169 V CB 1.138 32.986 31.823 0.042 0.000 0.967 169 V HN 0.837 nan 8.190 nan 0.000 0.479 170 P HA 0.007 nan 4.420 nan 0.000 0.231 170 P C 0.178 177.463 177.300 -0.025 0.000 1.168 170 P CA 0.913 63.977 63.100 -0.060 0.000 0.779 170 P CB 0.389 32.060 31.700 -0.047 0.000 0.844 171 M N -2.029 117.569 119.600 -0.003 0.000 2.727 171 M HA 0.664 5.144 4.480 -0.000 0.000 0.300 171 M C -0.806 175.498 176.300 0.006 0.000 1.246 171 M CA -1.456 53.844 55.300 0.000 0.000 0.835 171 M CB 1.115 33.718 32.600 0.005 0.000 1.755 171 M HN -0.247 nan 8.290 nan 0.000 0.473 172 A N 1.963 124.787 122.820 0.006 0.000 3.048 172 A HA 0.416 4.736 4.320 -0.000 0.000 0.264 172 A C 0.140 177.735 177.584 0.018 0.000 1.796 172 A CA -0.053 51.990 52.037 0.011 0.000 1.445 172 A CB -1.190 17.817 19.000 0.013 0.000 1.074 172 A HN 0.739 nan 8.150 nan 0.000 0.621 173 S N 0.736 116.448 115.700 0.021 0.000 2.474 173 S HA 0.528 4.998 4.470 -0.000 0.000 0.321 173 S C 1.116 175.730 174.600 0.023 0.000 1.080 173 S CA -0.005 58.208 58.200 0.023 0.000 1.106 173 S CB 1.011 64.224 63.200 0.023 0.000 0.984 173 S HN 0.881 nan 8.310 nan 0.000 0.464 174 A N 4.456 127.288 122.820 0.021 0.000 2.014 174 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 174 A C 1.959 179.556 177.584 0.020 0.000 1.163 174 A CA 0.948 52.997 52.037 0.021 0.000 0.652 174 A CB -0.392 18.622 19.000 0.023 0.000 0.808 174 A HN 0.881 nan 8.150 nan 0.000 0.449 175 Q N -0.487 119.317 119.800 0.007 0.000 2.079 175 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 175 Q C 2.093 178.080 176.000 -0.021 0.000 0.974 175 Q CA 1.564 57.356 55.803 -0.019 0.000 0.840 175 Q CB -0.272 28.439 28.738 -0.044 0.000 0.898 175 Q HN 0.497 nan 8.270 nan 0.000 0.430 176 V N 1.516 121.428 119.914 -0.004 0.000 2.307 176 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 176 V C 2.319 178.427 176.094 0.024 0.000 1.045 176 V CA 1.989 64.291 62.300 0.002 0.000 1.024 176 V CB -0.576 31.280 31.823 0.054 0.000 0.651 176 V HN 0.355 nan 8.190 nan 0.000 0.449 177 K N 0.296 120.725 120.400 0.049 0.000 2.032 177 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 177 K C 2.252 178.875 176.600 0.038 0.000 1.048 177 K CA 2.171 58.492 56.287 0.057 0.000 0.927 177 K CB -0.272 32.255 32.500 0.046 0.000 0.712 177 K HN 0.443 nan 8.250 nan 0.000 0.441 178 S N 0.558 116.278 115.700 0.033 0.000 2.368 178 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 178 S C 2.072 176.688 174.600 0.027 0.000 1.029 178 S CA 1.025 59.254 58.200 0.048 0.000 0.988 178 S CB -0.283 62.952 63.200 0.058 0.000 0.838 178 S HN 0.552 nan 8.310 nan 0.000 0.462 179 A N 1.260 124.070 122.820 -0.016 0.000 1.908 179 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 179 A C 2.340 179.894 177.584 -0.051 0.000 1.181 179 A CA 1.625 53.633 52.037 -0.049 0.000 0.627 179 A CB -0.934 18.006 19.000 -0.101 0.000 0.818 179 A HN 0.346 nan 8.150 nan 0.000 0.445 180 V N 0.062 119.942 119.914 -0.058 0.000 2.307 180 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 180 V C 2.567 178.646 176.094 -0.024 0.000 1.045 180 V CA 1.892 64.154 62.300 -0.065 0.000 1.024 180 V CB -0.803 30.986 31.823 -0.057 0.000 0.651 180 V HN 0.564 nan 8.190 nan 0.000 0.449 181 L N -0.630 120.594 121.223 0.001 0.000 2.042 181 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 181 L C 2.419 179.286 176.870 -0.004 0.000 1.076 181 L CA 1.541 56.381 54.840 0.001 0.000 0.749 181 L CB -0.564 41.503 42.059 0.012 0.000 0.893 181 L HN 0.303 nan 8.230 nan 0.000 0.432 182 L N -0.564 120.671 121.223 0.020 0.000 2.083 182 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 182 L C 2.885 179.774 176.870 0.031 0.000 1.083 182 L CA 1.049 55.914 54.840 0.041 0.000 0.752 182 L CB -0.836 41.283 42.059 0.101 0.000 0.899 182 L HN 0.257 nan 8.230 nan 0.000 0.433 183 A N 0.628 123.452 122.820 0.006 0.000 1.933 183 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 183 A C 2.400 179.969 177.584 -0.024 0.000 1.175 183 A CA 1.661 53.694 52.037 -0.007 0.000 0.628 183 A CB -1.164 17.810 19.000 -0.044 0.000 0.814 183 A HN 0.439 nan 8.150 nan 0.000 0.444 184 G N -0.192 108.592 108.800 -0.027 0.000 2.448 184 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 184 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 184 G C 1.454 176.332 174.900 -0.037 0.000 1.127 184 G CA 0.946 46.026 45.100 -0.033 0.000 0.766 184 G HN 0.463 nan 8.290 nan 0.000 0.552 185 L N -0.021 121.184 121.223 -0.029 0.000 2.127 185 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 185 L C 2.036 178.882 176.870 -0.040 0.000 1.089 185 L CA 1.036 55.858 54.840 -0.029 0.000 0.757 185 L CB -0.159 41.892 42.059 -0.014 0.000 0.899 185 L HN 0.190 nan 8.230 nan 0.000 0.434 186 N N -1.015 117.644 118.700 -0.069 0.000 2.275 186 N HA 0.044 4.784 4.740 -0.000 0.000 0.236 186 N C -0.703 174.704 175.510 -0.172 0.000 1.154 186 N CA 0.050 52.996 53.050 -0.173 0.000 0.866 186 N CB 0.424 38.672 38.487 -0.398 0.000 1.093 186 N HN -0.047 nan 8.380 nan 0.000 0.515 187 T N 2.092 116.583 114.554 -0.105 0.000 2.792 187 T HA 0.409 4.759 4.350 -0.000 0.000 0.280 187 T C -2.819 171.842 174.700 -0.066 0.000 0.990 187 T CA -1.328 60.719 62.100 -0.089 0.000 0.960 187 T CB 2.237 71.064 68.868 -0.069 0.000 0.939 187 T HN 0.065 nan 8.240 nan 0.000 0.439 188 P HA 0.489 nan 4.420 nan 0.000 0.276 188 P C 0.411 177.691 177.300 -0.034 0.000 1.230 188 P CA 0.419 63.492 63.100 -0.044 0.000 0.776 188 P CB 0.907 32.582 31.700 -0.043 0.000 0.888 189 G N 2.743 111.527 108.800 -0.026 0.000 2.466 189 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.316 189 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.316 189 G C -1.339 173.551 174.900 -0.018 0.000 1.270 189 G CA -0.788 44.300 45.100 -0.020 0.000 0.982 189 G HN 0.474 nan 8.290 nan 0.000 0.506 190 I N 1.238 121.800 120.570 -0.013 0.000 2.339 190 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 190 I C 0.717 176.831 176.117 -0.006 0.000 0.994 190 I CA -0.346 60.949 61.300 -0.009 0.000 1.191 190 I CB 0.611 38.607 38.000 -0.006 0.000 1.343 190 I HN 0.466 nan 8.210 nan 0.000 0.458 191 T N 5.566 120.116 114.554 -0.007 0.000 2.799 191 T HA 0.479 4.829 4.350 -0.000 0.000 0.286 191 T C 0.241 174.947 174.700 0.010 0.000 0.973 191 T CA -0.138 61.962 62.100 0.000 0.000 1.035 191 T CB 0.994 69.858 68.868 -0.007 0.000 0.932 191 T HN 0.555 nan 8.240 nan 0.000 0.469 192 T N 2.791 117.360 114.554 0.024 0.000 2.848 192 T HA 0.549 4.899 4.350 -0.000 0.000 0.285 192 T C -0.672 174.058 174.700 0.051 0.000 0.995 192 T CA -0.514 61.602 62.100 0.027 0.000 0.970 192 T CB 1.406 70.285 68.868 0.018 0.000 0.976 192 T HN 0.306 nan 8.240 nan 0.000 0.441 193 V N 4.470 124.411 119.914 0.045 0.000 2.448 193 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 193 V C -0.392 175.719 176.094 0.028 0.000 1.025 193 V CA -0.792 61.547 62.300 0.065 0.000 0.859 193 V CB 1.566 33.431 31.823 0.070 0.000 0.988 193 V HN 0.791 nan 8.190 nan 0.000 0.431 194 I N 4.251 124.825 120.570 0.006 0.000 2.339 194 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 194 I C 0.023 176.123 176.117 -0.028 0.000 0.994 194 I CA -0.266 61.022 61.300 -0.020 0.000 1.191 194 I CB 1.595 39.570 38.000 -0.042 0.000 1.343 194 I HN 0.696 nan 8.210 nan 0.000 0.458 195 E N 9.395 129.585 120.200 -0.016 0.000 2.102 195 E HA 0.341 4.691 4.350 -0.000 0.000 0.263 195 E C -2.025 174.563 176.600 -0.021 0.000 0.894 195 E CA -1.849 54.542 56.400 -0.015 0.000 0.746 195 E CB 1.502 31.200 29.700 -0.002 0.000 1.129 195 E HN 0.311 nan 8.360 nan 0.000 0.416 196 P HA -0.012 nan 4.420 nan 0.000 0.225 196 P C 0.131 177.421 177.300 -0.017 0.000 1.156 196 P CA 0.545 63.629 63.100 -0.026 0.000 0.787 196 P CB 0.511 32.191 31.700 -0.034 0.000 0.802 197 I N 0.318 120.880 120.570 -0.014 0.000 2.447 197 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 197 I C 0.452 176.565 176.117 -0.007 0.000 1.023 197 I CA -1.650 59.645 61.300 -0.008 0.000 1.083 197 I CB 1.535 39.532 38.000 -0.005 0.000 1.245 197 I HN -0.072 nan 8.210 nan 0.000 0.434 198 M N 6.238 125.833 119.600 -0.008 0.000 2.248 198 M HA 0.149 4.629 4.480 -0.000 0.000 0.345 198 M C 0.149 176.441 176.300 -0.012 0.000 1.243 198 M CA 0.722 56.015 55.300 -0.012 0.000 1.090 198 M CB 0.493 33.084 32.600 -0.015 0.000 1.683 198 M HN 0.851 nan 8.290 nan 0.000 0.450 199 T N 2.486 117.029 114.554 -0.018 0.000 2.907 199 T HA 0.543 4.893 4.350 -0.000 0.000 0.290 199 T C -0.506 174.161 174.700 -0.056 0.000 1.066 199 T CA -1.297 60.791 62.100 -0.020 0.000 1.012 199 T CB 0.961 69.827 68.868 -0.004 0.000 1.184 199 T HN 0.855 nan 8.240 nan 0.000 0.522 200 R N 0.746 121.202 120.500 -0.073 0.000 2.566 200 R HA 0.086 4.426 4.340 -0.000 0.000 0.273 200 R C -0.656 175.499 176.300 -0.241 0.000 0.981 200 R CA 0.229 56.209 56.100 -0.201 0.000 1.091 200 R CB -0.242 29.954 30.300 -0.173 0.000 0.924 200 R HN 0.805 nan 8.270 nan 0.000 0.411 201 D N 1.521 121.705 120.400 -0.359 0.000 2.643 201 D HA 0.022 4.662 4.640 -0.000 0.000 0.244 201 D C 0.388 176.609 176.300 -0.131 0.000 1.257 201 D CA -0.366 53.523 54.000 -0.185 0.000 0.831 201 D CB -0.138 40.601 40.800 -0.102 0.000 1.043 201 D HN 0.604 nan 8.370 nan 0.000 0.488 202 H N 0.436 119.548 119.070 0.069 0.000 2.387 202 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 202 H C 1.372 176.798 175.328 0.162 0.000 1.090 202 H CA 1.661 57.766 56.048 0.095 0.000 1.332 202 H CB -0.463 29.338 29.762 0.066 0.000 1.386 202 H HN 0.197 nan 8.280 nan 0.000 0.516 203 T N 1.231 115.939 114.554 0.257 0.000 2.708 203 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 203 T C 1.941 176.752 174.700 0.186 0.000 1.037 203 T CA 1.567 63.850 62.100 0.305 0.000 1.146 203 T CB -0.037 68.967 68.868 0.226 0.000 0.865 203 T HN 0.396 nan 8.240 nan 0.000 0.435 204 E N 1.255 121.519 120.200 0.107 0.000 2.051 204 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 204 E C 2.278 178.927 176.600 0.081 0.000 0.991 204 E CA 1.117 57.554 56.400 0.063 0.000 0.799 204 E CB -0.128 29.593 29.700 0.035 0.000 0.748 204 E HN 0.433 nan 8.360 nan 0.000 0.449 205 K N 0.061 120.526 120.400 0.108 0.000 2.026 205 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 205 K C 2.240 178.946 176.600 0.176 0.000 1.048 205 K CA 1.530 57.891 56.287 0.123 0.000 0.929 205 K CB -0.170 32.408 32.500 0.129 0.000 0.713 205 K HN 0.121 nan 8.250 nan 0.000 0.439 206 M N 0.731 120.486 119.600 0.259 0.000 2.132 206 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 206 M C 2.188 178.679 176.300 0.318 0.000 1.065 206 M CA 1.450 56.980 55.300 0.383 0.000 1.122 206 M CB -0.301 32.627 32.600 0.548 0.000 1.365 206 M HN 0.108 nan 8.290 nan 0.000 0.411 207 L N -0.127 121.134 121.223 0.062 0.000 2.083 207 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 207 L C 2.547 179.446 176.870 0.048 0.000 1.083 207 L CA 1.424 56.186 54.840 -0.130 0.000 0.752 207 L CB -0.624 41.283 42.059 -0.253 0.000 0.899 207 L HN 0.417 nan 8.230 nan 0.000 0.433 208 Q N -0.470 119.373 119.800 0.072 0.000 2.084 208 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 208 Q C 2.272 178.330 176.000 0.097 0.000 0.978 208 Q CA 1.454 57.298 55.803 0.068 0.000 0.844 208 Q CB -0.388 28.384 28.738 0.056 0.000 0.898 208 Q HN 0.609 nan 8.270 nan 0.000 0.426 209 G N -0.301 108.585 108.800 0.144 0.000 2.448 209 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 209 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 209 G C 0.828 175.767 174.900 0.066 0.000 1.127 209 G CA 0.297 45.461 45.100 0.107 0.000 0.766 209 G HN 0.230 nan 8.290 nan 0.000 0.552 210 F N 0.629 120.588 119.950 0.016 0.000 2.797 210 F HA 0.332 4.859 4.527 -0.000 0.000 0.302 210 F C 2.007 177.802 175.800 -0.008 0.000 1.130 210 F CA 0.476 58.482 58.000 0.010 0.000 1.387 210 F CB 0.559 39.550 39.000 -0.016 0.000 1.107 210 F HN 0.265 nan 8.300 nan 0.000 0.577 211 G N -0.130 108.744 108.800 0.122 0.000 2.176 211 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.232 211 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.232 211 G C 0.433 175.362 174.900 0.048 0.000 0.986 211 G CA -0.232 44.909 45.100 0.067 0.000 0.643 211 G HN 0.584 nan 8.290 nan 0.000 0.522 212 A N 0.057 122.901 122.820 0.040 0.000 2.462 212 A HA 0.528 4.848 4.320 -0.000 0.000 0.243 212 A C 0.665 178.251 177.584 0.003 0.000 1.076 212 A CA 0.599 52.636 52.037 0.001 0.000 0.773 212 A CB 0.251 19.224 19.000 -0.044 0.000 1.010 212 A HN 0.808 nan 8.150 nan 0.000 0.493 213 N N 1.787 120.485 118.700 -0.003 0.000 2.739 213 N HA 0.255 4.995 4.740 -0.000 0.000 0.266 213 N C -1.061 174.446 175.510 -0.005 0.000 1.168 213 N CA 0.174 53.224 53.050 -0.001 0.000 1.055 213 N CB -0.479 38.007 38.487 -0.001 0.000 1.393 213 N HN 0.586 nan 8.380 nan 0.000 0.514 214 L N 2.177 123.398 121.223 -0.003 0.000 2.362 214 L HA 0.629 4.969 4.340 -0.000 0.000 0.275 214 L C -0.483 176.389 176.870 0.003 0.000 0.998 214 L CA -0.440 54.397 54.840 -0.004 0.000 0.820 214 L CB 1.634 43.686 42.059 -0.011 0.000 1.270 214 L HN 0.402 nan 8.230 nan 0.000 0.415 215 T N 1.457 116.013 114.554 0.003 0.000 2.908 215 T HA 0.758 5.108 4.350 -0.000 0.000 0.290 215 T C -0.820 173.883 174.700 0.005 0.000 1.034 215 T CA -0.753 61.350 62.100 0.005 0.000 1.010 215 T CB 1.967 70.837 68.868 0.003 0.000 1.068 215 T HN 0.283 nan 8.240 nan 0.000 0.481 216 V N 1.676 121.594 119.914 0.005 0.000 2.531 216 V HA 0.604 4.724 4.120 -0.000 0.000 0.301 216 V C -0.371 175.725 176.094 0.002 0.000 1.034 216 V CA -0.711 61.591 62.300 0.004 0.000 0.865 216 V CB 1.423 33.249 31.823 0.005 0.000 0.995 216 V HN 1.073 nan 8.190 nan 0.000 0.424 217 E N 2.535 122.735 120.200 0.000 0.000 2.210 217 E HA 0.618 4.968 4.350 -0.000 0.000 0.266 217 E C -1.132 175.466 176.600 -0.003 0.000 0.883 217 E CA -0.441 55.958 56.400 -0.001 0.000 0.761 217 E CB 1.854 31.553 29.700 -0.002 0.000 1.156 217 E HN 0.670 nan 8.360 nan 0.000 0.412 218 T N 3.922 118.474 114.554 -0.003 0.000 2.770 218 T HA 0.156 4.506 4.350 -0.000 0.000 0.283 218 T C -0.611 174.085 174.700 -0.005 0.000 0.988 218 T CA -0.751 61.346 62.100 -0.005 0.000 0.957 218 T CB 1.092 69.958 68.868 -0.005 0.000 0.930 218 T HN 0.472 nan 8.240 nan 0.000 0.443 219 D N 1.906 122.302 120.400 -0.007 0.000 2.357 219 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 219 D C 1.295 177.591 176.300 -0.006 0.000 1.153 219 D CA -0.374 53.622 54.000 -0.007 0.000 0.918 219 D CB 1.358 42.153 40.800 -0.009 0.000 1.181 219 D HN 0.537 nan 8.370 nan 0.000 0.435 220 A N 2.353 125.169 122.820 -0.006 0.000 2.076 220 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 220 A C 1.383 178.964 177.584 -0.006 0.000 1.160 220 A CA 1.769 53.803 52.037 -0.005 0.000 0.653 220 A CB -0.290 18.707 19.000 -0.005 0.000 0.801 220 A HN 0.695 nan 8.150 nan 0.000 0.455 221 D N -2.348 118.048 120.400 -0.007 0.000 2.340 221 D HA 0.270 4.910 4.640 -0.000 0.000 0.220 221 D C 1.181 177.476 176.300 -0.008 0.000 1.039 221 D CA 0.977 54.972 54.000 -0.008 0.000 0.866 221 D CB -0.479 40.315 40.800 -0.009 0.000 0.913 221 D HN 0.711 nan 8.370 nan 0.000 0.523 222 G N -0.522 108.273 108.800 -0.008 0.000 2.241 222 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 222 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 222 G C 0.273 175.167 174.900 -0.010 0.000 0.998 222 G CA 0.111 45.206 45.100 -0.008 0.000 0.621 222 G HN 0.396 nan 8.290 nan 0.000 0.519 223 V N 1.895 121.802 119.914 -0.012 0.000 2.599 223 V HA 0.340 4.460 4.120 -0.000 0.000 0.300 223 V C 1.081 177.168 176.094 -0.012 0.000 1.034 223 V CA 0.429 62.721 62.300 -0.014 0.000 1.115 223 V CB 0.891 32.703 31.823 -0.017 0.000 0.934 223 V HN 0.430 nan 8.190 nan 0.000 0.485 224 R N 2.762 123.255 120.500 -0.011 0.000 2.346 224 R HA 0.548 4.888 4.340 -0.000 0.000 0.311 224 R C -0.462 175.834 176.300 -0.007 0.000 0.983 224 R CA -0.392 55.704 56.100 -0.008 0.000 0.880 224 R CB 1.472 31.768 30.300 -0.006 0.000 1.100 224 R HN 0.686 nan 8.270 nan 0.000 0.453 225 T N 4.422 118.973 114.554 -0.005 0.000 2.788 225 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 225 T C -0.101 174.600 174.700 0.002 0.000 1.009 225 T CA -0.465 61.633 62.100 -0.003 0.000 0.949 225 T CB 0.449 69.314 68.868 -0.004 0.000 0.946 225 T HN 0.336 nan 8.240 nan 0.000 0.453 226 I N 3.741 124.315 120.570 0.006 0.000 2.355 226 I HA 0.459 4.629 4.170 -0.000 0.000 0.288 226 I C 0.343 176.465 176.117 0.008 0.000 0.999 226 I CA -0.737 60.568 61.300 0.008 0.000 1.163 226 I CB 1.351 39.359 38.000 0.012 0.000 1.316 226 I HN 0.267 nan 8.210 nan 0.000 0.454 227 R N 5.459 125.961 120.500 0.004 0.000 2.514 227 R HA 0.723 5.063 4.340 -0.000 0.000 0.301 227 R C -1.363 174.936 176.300 -0.002 0.000 0.962 227 R CA -0.924 55.177 56.100 0.002 0.000 0.882 227 R CB 2.303 32.604 30.300 0.001 0.000 1.143 227 R HN 0.390 nan 8.270 nan 0.000 0.452 228 L N 1.618 122.838 121.223 -0.005 0.000 2.409 228 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 228 L C -0.800 176.062 176.870 -0.015 0.000 0.980 228 L CA -0.342 54.490 54.840 -0.013 0.000 0.826 228 L CB 1.968 44.015 42.059 -0.020 0.000 1.268 228 L HN 0.614 nan 8.230 nan 0.000 0.407 229 E N 3.292 123.483 120.200 -0.015 0.000 2.194 229 E HA 0.533 4.883 4.350 -0.000 0.000 0.284 229 E C -0.033 176.554 176.600 -0.021 0.000 1.035 229 E CA -0.453 55.938 56.400 -0.015 0.000 0.836 229 E CB 0.942 30.636 29.700 -0.011 0.000 1.070 229 E HN 0.898 nan 8.360 nan 0.000 0.401 230 G N 3.225 112.010 108.800 -0.025 0.000 2.572 230 G HA2 0.110 4.070 3.960 -0.000 0.000 0.261 230 G HA3 0.110 4.070 3.960 -0.000 0.000 0.261 230 G C -0.222 174.659 174.900 -0.031 0.000 1.197 230 G CA -0.489 44.592 45.100 -0.032 0.000 0.870 230 G HN 0.894 nan 8.290 nan 0.000 0.548 231 R N -1.209 119.270 120.500 -0.035 0.000 3.641 231 R HA -0.162 4.178 4.340 -0.000 0.000 0.286 231 R C 0.853 177.146 176.300 -0.012 0.000 1.153 231 R CA 0.413 56.495 56.100 -0.029 0.000 0.775 231 R CB -1.878 28.398 30.300 -0.039 0.000 1.215 231 R HN 0.844 nan 8.270 nan 0.000 0.474 232 G N 0.700 109.495 108.800 -0.009 0.000 2.462 232 G HA2 0.369 4.329 3.960 -0.000 0.000 0.319 232 G HA3 0.369 4.329 3.960 -0.000 0.000 0.319 232 G C -0.492 174.417 174.900 0.014 0.000 1.171 232 G CA -0.722 44.379 45.100 0.001 0.000 0.920 232 G HN 0.090 nan 8.290 nan 0.000 0.499 233 K N 0.057 120.471 120.400 0.024 0.000 2.326 233 K HA 0.338 4.658 4.320 -0.000 0.000 0.275 233 K C -0.582 176.050 176.600 0.055 0.000 1.018 233 K CA -0.148 56.163 56.287 0.040 0.000 0.962 233 K CB 0.341 32.865 32.500 0.039 0.000 0.953 233 K HN 0.280 nan 8.250 nan 0.000 0.475 234 L N 2.912 124.184 121.223 0.082 0.000 2.365 234 L HA 0.350 4.690 4.340 -0.000 0.000 0.273 234 L C -0.549 176.429 176.870 0.178 0.000 1.000 234 L CA -0.823 54.101 54.840 0.140 0.000 0.819 234 L CB 2.316 44.452 42.059 0.127 0.000 1.284 234 L HN 0.690 nan 8.230 nan 0.000 0.418 235 T N 1.282 115.953 114.554 0.195 0.000 2.797 235 T HA 0.406 4.756 4.350 -0.000 0.000 0.279 235 T C 0.413 175.163 174.700 0.084 0.000 0.991 235 T CA -0.534 61.635 62.100 0.116 0.000 0.979 235 T CB 1.696 70.585 68.868 0.035 0.000 0.943 235 T HN 0.733 nan 8.240 nan 0.000 0.444 236 G N 2.776 111.635 108.800 0.100 0.000 2.474 236 G HA2 0.371 4.331 3.960 -0.000 0.000 0.233 236 G HA3 0.371 4.331 3.960 -0.000 0.000 0.233 236 G C -0.430 174.354 174.900 -0.194 0.000 1.278 236 G CA -0.188 44.947 45.100 0.058 0.000 0.861 236 G HN 0.506 nan 8.290 nan 0.000 0.567 237 Q N -0.398 119.189 119.800 -0.355 0.000 2.528 237 Q HA 0.439 4.779 4.340 -0.000 0.000 0.289 237 Q C -0.808 175.102 176.000 -0.150 0.000 1.091 237 Q CA -0.893 54.684 55.803 -0.377 0.000 0.797 237 Q CB 2.272 30.543 28.738 -0.779 0.000 1.466 237 Q HN 0.325 nan 8.270 nan 0.000 0.436 238 V N 2.157 122.009 119.914 -0.102 0.000 2.406 238 V HA 0.425 4.545 4.120 -0.000 0.000 0.272 238 V C 0.011 176.098 176.094 -0.013 0.000 1.043 238 V CA -0.223 62.063 62.300 -0.025 0.000 0.915 238 V CB 0.714 32.528 31.823 -0.016 0.000 0.988 238 V HN 0.503 nan 8.190 nan 0.000 0.466 239 I N 3.982 124.573 120.570 0.036 0.000 2.465 239 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 239 I C -0.899 175.244 176.117 0.044 0.000 1.014 239 I CA -0.464 60.869 61.300 0.055 0.000 1.093 239 I CB 2.147 40.213 38.000 0.109 0.000 1.267 239 I HN 0.521 nan 8.210 nan 0.000 0.431 240 D N 5.727 126.145 120.400 0.030 0.000 2.453 240 D HA 0.334 4.974 4.640 -0.000 0.000 0.238 240 D C -0.849 175.454 176.300 0.005 0.000 1.088 240 D CA -0.271 53.740 54.000 0.019 0.000 0.854 240 D CB 1.566 42.375 40.800 0.016 0.000 1.076 240 D HN 0.076 nan 8.370 nan 0.000 0.533 241 V N 6.707 126.613 119.914 -0.013 0.000 2.470 241 V HA 0.319 4.439 4.120 -0.000 0.000 0.276 241 V C -1.481 174.586 176.094 -0.045 0.000 1.040 241 V CA -1.010 61.262 62.300 -0.047 0.000 1.008 241 V CB 0.798 32.570 31.823 -0.086 0.000 0.990 241 V HN 0.565 nan 8.190 nan 0.000 0.477 242 P HA 0.242 nan 4.420 nan 0.000 0.276 242 P C 0.148 177.410 177.300 -0.062 0.000 1.261 242 P CA -0.180 62.895 63.100 -0.041 0.000 0.800 242 P CB 0.938 32.623 31.700 -0.026 0.000 1.066 243 G N 0.587 109.355 108.800 -0.054 0.000 2.441 243 G HA2 0.026 3.985 3.960 -0.000 0.000 0.243 243 G HA3 0.026 3.985 3.960 -0.000 0.000 0.243 243 G C -0.119 174.729 174.900 -0.086 0.000 1.281 243 G CA -0.164 44.893 45.100 -0.073 0.000 0.854 243 G HN 0.505 nan 8.290 nan 0.000 0.560 244 D N 2.736 123.064 120.400 -0.121 0.000 2.382 244 D HA 0.076 4.716 4.640 -0.000 0.000 0.259 244 D C -0.993 175.248 176.300 -0.097 0.000 1.224 244 D CA -1.668 52.262 54.000 -0.117 0.000 0.894 244 D CB 1.849 42.556 40.800 -0.154 0.000 1.127 244 D HN 0.099 nan 8.370 nan 0.000 0.487 245 P HA -0.045 nan 4.420 nan 0.000 0.225 245 P C 1.141 178.389 177.300 -0.087 0.000 1.156 245 P CA 0.386 63.449 63.100 -0.062 0.000 0.787 245 P CB 0.478 32.156 31.700 -0.035 0.000 0.802 246 S N -0.156 115.501 115.700 -0.072 0.000 2.387 246 S HA -0.044 4.426 4.470 -0.000 0.000 0.226 246 S C 2.145 176.680 174.600 -0.109 0.000 1.026 246 S CA 1.183 59.328 58.200 -0.092 0.000 0.972 246 S CB -0.664 62.534 63.200 -0.003 0.000 0.814 246 S HN 0.201 nan 8.310 nan 0.000 0.477 247 S N 1.271 116.943 115.700 -0.046 0.000 2.383 247 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 247 S C 2.064 176.709 174.600 0.075 0.000 1.026 247 S CA 1.208 59.416 58.200 0.013 0.000 0.981 247 S CB -0.585 62.300 63.200 -0.525 0.000 0.818 247 S HN 0.532 nan 8.310 nan 0.000 0.472 248 T N 2.558 117.079 114.554 -0.054 0.000 2.759 248 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 248 T C 2.095 176.777 174.700 -0.029 0.000 1.042 248 T CA 1.186 63.279 62.100 -0.013 0.000 1.140 248 T CB -0.510 68.329 68.868 -0.049 0.000 0.864 248 T HN 0.477 nan 8.240 nan 0.000 0.455 249 A N 0.742 123.451 122.820 -0.185 0.000 1.986 249 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 249 A C 1.934 179.350 177.584 -0.280 0.000 1.171 249 A CA 1.495 53.346 52.037 -0.310 0.000 0.640 249 A CB -1.004 17.686 19.000 -0.516 0.000 0.811 249 A HN 0.560 nan 8.150 nan 0.000 0.451 250 F N 0.428 120.484 119.950 0.176 0.000 2.060 250 F HA -0.072 4.455 4.527 -0.000 0.000 0.295 250 F C 0.094 175.992 175.800 0.163 0.000 1.120 250 F CA 1.666 59.799 58.000 0.221 0.000 1.205 250 F CB -1.230 38.025 39.000 0.424 0.000 0.986 250 F HN 0.206 nan 8.300 nan 0.000 0.470 251 P HA -0.133 nan 4.420 nan 0.000 0.221 251 P C 1.979 179.328 177.300 0.081 0.000 1.150 251 P CA 1.235 64.431 63.100 0.160 0.000 0.800 251 P CB -0.051 31.740 31.700 0.151 0.000 0.787 252 L N -0.103 121.155 121.223 0.058 0.000 2.017 252 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 252 L C 2.403 179.272 176.870 -0.001 0.000 1.073 252 L CA 1.582 56.428 54.840 0.010 0.000 0.745 252 L CB -0.691 41.356 42.059 -0.020 0.000 0.894 252 L HN -0.227 nan 8.230 nan 0.000 0.432 253 V N 0.143 120.056 119.914 -0.002 0.000 2.427 253 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 253 V C 2.783 178.877 176.094 0.001 0.000 1.051 253 V CA 1.449 63.745 62.300 -0.007 0.000 1.048 253 V CB -0.805 31.012 31.823 -0.011 0.000 0.666 253 V HN 0.601 nan 8.190 nan 0.000 0.456 254 A N 0.178 123.017 122.820 0.031 0.000 1.902 254 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 254 A C 2.419 179.985 177.584 -0.030 0.000 1.181 254 A CA 2.102 54.141 52.037 0.003 0.000 0.623 254 A CB -0.737 18.284 19.000 0.035 0.000 0.818 254 A HN 0.565 nan 8.150 nan 0.000 0.443 255 A N -0.446 122.366 122.820 -0.014 0.000 1.969 255 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 255 A C 2.148 179.712 177.584 -0.033 0.000 1.169 255 A CA 1.381 53.404 52.037 -0.023 0.000 0.635 255 A CB -0.522 18.471 19.000 -0.011 0.000 0.810 255 A HN 0.477 nan 8.150 nan 0.000 0.445 256 L N -0.804 120.400 121.223 -0.032 0.000 2.056 256 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 256 L C 2.443 179.281 176.870 -0.054 0.000 1.078 256 L CA 1.036 55.856 54.840 -0.033 0.000 0.749 256 L CB -0.435 41.609 42.059 -0.024 0.000 0.901 256 L HN 0.379 nan 8.230 nan 0.000 0.433 257 L N -1.101 120.069 121.223 -0.089 0.000 2.162 257 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 257 L C 0.798 177.554 176.870 -0.189 0.000 1.086 257 L CA 0.011 54.747 54.840 -0.172 0.000 0.778 257 L CB -0.131 41.750 42.059 -0.296 0.000 0.928 257 L HN -0.057 nan 8.230 nan 0.000 0.446 258 V N 1.810 121.640 119.914 -0.140 0.000 2.439 258 V HA 0.144 4.264 4.120 -0.000 0.000 0.271 258 V C -2.020 174.029 176.094 -0.075 0.000 1.040 258 V CA -1.360 60.871 62.300 -0.114 0.000 1.002 258 V CB 0.419 32.190 31.823 -0.086 0.000 1.000 258 V HN -0.013 nan 8.190 nan 0.000 0.477 259 P HA 0.168 nan 4.420 nan 0.000 0.267 259 P C 0.875 178.155 177.300 -0.033 0.000 1.200 259 P CA 1.147 64.222 63.100 -0.041 0.000 0.772 259 P CB 0.542 32.222 31.700 -0.033 0.000 0.855 260 G N 0.944 109.729 108.800 -0.025 0.000 2.176 260 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.252 260 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.252 260 G C 0.086 174.973 174.900 -0.021 0.000 1.024 260 G CA -0.096 44.992 45.100 -0.020 0.000 0.755 260 G HN 0.540 nan 8.290 nan 0.000 0.507 261 S N -0.132 115.553 115.700 -0.024 0.000 2.549 261 S HA 0.668 5.138 4.470 -0.000 0.000 0.297 261 S C -0.652 173.937 174.600 -0.017 0.000 1.115 261 S CA -0.500 57.687 58.200 -0.023 0.000 1.059 261 S CB 2.200 65.382 63.200 -0.029 0.000 1.046 261 S HN 0.376 nan 8.310 nan 0.000 0.506 262 D N 1.920 122.311 120.400 -0.015 0.000 2.319 262 D HA 0.329 4.969 4.640 -0.000 0.000 0.237 262 D C -1.628 174.666 176.300 -0.009 0.000 1.353 262 D CA -0.163 53.831 54.000 -0.011 0.000 0.992 262 D CB 1.131 41.925 40.800 -0.009 0.000 1.368 262 D HN 0.252 nan 8.370 nan 0.000 0.564 263 V N 2.634 122.544 119.914 -0.006 0.000 2.540 263 V HA 0.565 4.685 4.120 -0.000 0.000 0.302 263 V C 0.247 176.342 176.094 0.001 0.000 1.035 263 V CA -0.489 61.810 62.300 -0.002 0.000 0.873 263 V CB 2.105 33.929 31.823 0.001 0.000 0.992 263 V HN 0.493 nan 8.190 nan 0.000 0.428 264 T N 5.978 120.534 114.554 0.003 0.000 2.779 264 T HA 0.689 5.039 4.350 -0.000 0.000 0.280 264 T C -0.440 174.265 174.700 0.009 0.000 0.987 264 T CA -0.120 61.982 62.100 0.004 0.000 0.966 264 T CB 0.958 69.827 68.868 0.002 0.000 0.933 264 T HN 0.359 nan 8.240 nan 0.000 0.442 265 I N 3.837 124.412 120.570 0.008 0.000 2.339 265 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 265 I C -0.201 175.918 176.117 0.003 0.000 0.994 265 I CA -0.535 60.772 61.300 0.012 0.000 1.191 265 I CB 1.123 39.132 38.000 0.014 0.000 1.343 265 I HN 0.370 nan 8.210 nan 0.000 0.458 266 L N 5.790 127.016 121.223 0.004 0.000 2.357 266 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 266 L C 0.985 177.851 176.870 -0.006 0.000 1.080 266 L CA -0.629 54.211 54.840 -0.000 0.000 0.803 266 L CB 0.622 42.682 42.059 0.003 0.000 1.174 266 L HN 0.781 nan 8.230 nan 0.000 0.443 267 N N 1.158 119.854 118.700 -0.007 0.000 2.727 267 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 267 N C -1.053 174.446 175.510 -0.017 0.000 1.040 267 N CA -0.283 52.761 53.050 -0.010 0.000 0.712 267 N CB -0.153 38.329 38.487 -0.010 0.000 0.912 267 N HN 0.304 nan 8.380 nan 0.000 0.545 268 V N 2.275 122.179 119.914 -0.016 0.000 2.465 268 V HA 0.273 4.393 4.120 -0.000 0.000 0.279 268 V C 0.879 176.963 176.094 -0.016 0.000 1.045 268 V CA -0.733 61.553 62.300 -0.023 0.000 0.938 268 V CB 1.468 33.277 31.823 -0.023 0.000 0.986 268 V HN 0.306 nan 8.190 nan 0.000 0.467 269 L N 6.282 127.494 121.223 -0.018 0.000 2.499 269 L HA 0.160 4.500 4.340 -0.000 0.000 0.273 269 L C 0.643 177.517 176.870 0.007 0.000 1.195 269 L CA 1.087 55.928 54.840 0.001 0.000 0.882 269 L CB 0.337 42.399 42.059 0.004 0.000 1.133 269 L HN 0.600 nan 8.230 nan 0.000 0.483 270 M N 3.802 123.411 119.600 0.015 0.000 2.496 270 M HA 0.183 4.663 4.480 -0.000 0.000 0.330 270 M C 0.239 176.548 176.300 0.016 0.000 1.133 270 M CA -0.136 55.169 55.300 0.009 0.000 0.964 270 M CB -1.080 31.522 32.600 0.003 0.000 1.401 270 M HN 0.772 nan 8.290 nan 0.000 0.520 271 N N 3.719 122.440 118.700 0.035 0.000 2.359 271 N HA -0.011 4.729 4.740 -0.000 0.000 0.261 271 N C -1.400 174.116 175.510 0.010 0.000 1.267 271 N CA -0.615 52.454 53.050 0.032 0.000 0.864 271 N CB 1.232 39.760 38.487 0.069 0.000 1.063 271 N HN 0.020 nan 8.380 nan 0.000 0.474 272 P HA -0.131 nan 4.420 nan 0.000 0.228 272 P C 0.634 177.925 177.300 -0.015 0.000 1.151 272 P CA 1.090 64.184 63.100 -0.009 0.000 0.770 272 P CB -0.125 31.569 31.700 -0.009 0.000 0.786 273 T N -3.915 110.625 114.554 -0.023 0.000 3.160 273 T HA 0.115 4.465 4.350 -0.000 0.000 0.257 273 T C 1.436 176.129 174.700 -0.012 0.000 1.147 273 T CA 0.200 62.282 62.100 -0.030 0.000 1.064 273 T CB -0.312 68.515 68.868 -0.068 0.000 0.949 273 T HN -0.008 nan 8.240 nan 0.000 0.526 274 R N 0.778 121.278 120.500 -0.000 0.000 2.509 274 R HA 0.186 4.526 4.340 -0.000 0.000 0.297 274 R C 1.480 177.770 176.300 -0.017 0.000 0.951 274 R CA 0.725 56.831 56.100 0.011 0.000 1.103 274 R CB -0.035 30.295 30.300 0.050 0.000 1.283 274 R HN 0.622 nan 8.270 nan 0.000 0.534 275 T N -3.177 111.362 114.554 -0.024 0.000 3.214 275 T HA 0.170 4.520 4.350 -0.000 0.000 0.264 275 T C 1.562 176.231 174.700 -0.052 0.000 1.012 275 T CA 0.270 62.347 62.100 -0.038 0.000 0.901 275 T CB 0.732 69.584 68.868 -0.026 0.000 1.070 275 T HN 0.116 nan 8.240 nan 0.000 0.561 276 G N 1.948 110.711 108.800 -0.061 0.000 2.442 276 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 276 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 276 G C 1.238 176.074 174.900 -0.108 0.000 1.141 276 G CA 0.940 45.995 45.100 -0.075 0.000 0.763 276 G HN 0.509 nan 8.290 nan 0.000 0.554 277 L N 0.650 121.790 121.223 -0.137 0.000 2.017 277 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 277 L C 2.681 179.489 176.870 -0.104 0.000 1.073 277 L CA 1.339 56.087 54.840 -0.154 0.000 0.745 277 L CB -0.357 41.594 42.059 -0.180 0.000 0.894 277 L HN 0.252 nan 8.230 nan 0.000 0.432 278 I N -0.934 119.586 120.570 -0.083 0.000 2.163 278 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 278 I C 2.410 178.498 176.117 -0.048 0.000 1.085 278 I CA 1.473 62.737 61.300 -0.060 0.000 1.347 278 I CB -0.438 37.533 38.000 -0.048 0.000 1.044 278 I HN 0.371 nan 8.210 nan 0.000 0.408 279 L N 0.401 121.596 121.223 -0.046 0.000 2.012 279 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 279 L C 2.460 179.309 176.870 -0.034 0.000 1.073 279 L CA 2.179 56.998 54.840 -0.034 0.000 0.748 279 L CB -0.953 41.088 42.059 -0.030 0.000 0.891 279 L HN 0.157 nan 8.230 nan 0.000 0.431 280 T N 0.021 114.546 114.554 -0.048 0.000 2.708 280 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 280 T C 1.966 176.645 174.700 -0.035 0.000 1.037 280 T CA 1.921 63.995 62.100 -0.044 0.000 1.146 280 T CB -0.392 68.434 68.868 -0.070 0.000 0.865 280 T HN 0.321 nan 8.240 nan 0.000 0.435 281 L N 0.697 121.894 121.223 -0.043 0.000 2.083 281 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 281 L C 2.919 179.777 176.870 -0.020 0.000 1.083 281 L CA 1.285 56.106 54.840 -0.031 0.000 0.752 281 L CB -0.595 41.441 42.059 -0.039 0.000 0.899 281 L HN 0.314 nan 8.230 nan 0.000 0.433 282 Q N -0.063 119.724 119.800 -0.022 0.000 2.084 282 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 282 Q C 2.059 178.053 176.000 -0.010 0.000 0.978 282 Q CA 1.503 57.297 55.803 -0.015 0.000 0.844 282 Q CB -0.104 28.624 28.738 -0.016 0.000 0.898 282 Q HN 0.551 nan 8.270 nan 0.000 0.426 283 E N 0.290 120.483 120.200 -0.010 0.000 2.204 283 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 283 E C 1.682 178.282 176.600 -0.001 0.000 0.990 283 E CA 0.891 57.288 56.400 -0.005 0.000 0.821 283 E CB -0.024 29.673 29.700 -0.005 0.000 0.750 283 E HN 0.388 nan 8.360 nan 0.000 0.477 284 M N -1.008 118.591 119.600 -0.001 0.000 2.595 284 M HA 0.074 4.554 4.480 -0.000 0.000 0.248 284 M C 1.076 177.379 176.300 0.006 0.000 1.119 284 M CA 0.808 56.111 55.300 0.005 0.000 1.079 284 M CB 0.753 33.356 32.600 0.007 0.000 1.472 284 M HN 0.282 nan 8.290 nan 0.000 0.501 285 G N 0.379 109.180 108.800 0.002 0.000 2.154 285 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.186 285 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.186 285 G C 0.088 174.987 174.900 -0.000 0.000 1.000 285 G CA -0.198 44.904 45.100 0.002 0.000 0.664 285 G HN 0.648 nan 8.290 nan 0.000 0.513 286 A N 0.154 122.971 122.820 -0.004 0.000 2.462 286 A HA 0.509 4.829 4.320 -0.000 0.000 0.243 286 A C 0.301 177.880 177.584 -0.009 0.000 1.076 286 A CA 0.602 52.635 52.037 -0.008 0.000 0.773 286 A CB 0.478 19.470 19.000 -0.013 0.000 1.010 286 A HN 0.391 nan 8.150 nan 0.000 0.493 287 D N 2.181 122.576 120.400 -0.009 0.000 2.479 287 D HA 0.441 5.081 4.640 -0.000 0.000 0.218 287 D C -0.856 175.437 176.300 -0.011 0.000 1.131 287 D CA 0.097 54.092 54.000 -0.009 0.000 0.916 287 D CB -0.229 40.566 40.800 -0.008 0.000 1.022 287 D HN 0.354 nan 8.370 nan 0.000 0.515 288 I N 2.721 123.284 120.570 -0.012 0.000 2.439 288 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 288 I C 0.089 176.199 176.117 -0.011 0.000 1.021 288 I CA -0.802 60.490 61.300 -0.013 0.000 1.091 288 I CB 2.001 39.990 38.000 -0.018 0.000 1.242 288 I HN 0.195 nan 8.210 nan 0.000 0.439 289 E N 6.416 126.610 120.200 -0.009 0.000 2.156 289 E HA 0.424 4.774 4.350 -0.000 0.000 0.279 289 E C -1.369 175.226 176.600 -0.008 0.000 0.965 289 E CA -0.660 55.736 56.400 -0.008 0.000 0.789 289 E CB 1.855 31.551 29.700 -0.006 0.000 1.098 289 E HN 0.340 nan 8.360 nan 0.000 0.397 290 V N 6.890 126.799 119.914 -0.007 0.000 2.368 290 V HA 0.262 4.382 4.120 -0.000 0.000 0.266 290 V C 0.188 176.279 176.094 -0.005 0.000 1.045 290 V CA -0.214 62.082 62.300 -0.007 0.000 0.899 290 V CB 0.478 32.297 31.823 -0.007 0.000 1.006 290 V HN 0.625 nan 8.190 nan 0.000 0.470 291 I N 4.691 125.258 120.570 -0.004 0.000 2.404 291 I HA 0.396 4.566 4.170 -0.000 0.000 0.293 291 I C 0.639 176.755 176.117 -0.002 0.000 0.992 291 I CA -0.652 60.646 61.300 -0.003 0.000 1.149 291 I CB 1.337 39.335 38.000 -0.003 0.000 1.315 291 I HN 0.695 nan 8.210 nan 0.000 0.446 292 N N 4.947 123.646 118.700 -0.001 0.000 2.714 292 N HA -0.115 4.625 4.740 -0.000 0.000 0.253 292 N C -2.395 173.115 175.510 0.000 0.000 1.024 292 N CA -0.011 53.039 53.050 -0.000 0.000 0.726 292 N CB -0.581 37.906 38.487 -0.000 0.000 0.908 292 N HN 0.290 nan 8.380 nan 0.000 0.542 293 P HA 0.078 nan 4.420 nan 0.000 0.264 293 P C -0.158 177.144 177.300 0.003 0.000 1.193 293 P CA 0.599 63.700 63.100 0.001 0.000 0.763 293 P CB 0.544 32.245 31.700 0.000 0.000 0.810 294 R N 1.614 122.117 120.500 0.004 0.000 2.781 294 R HA 0.698 5.038 4.340 -0.000 0.000 0.268 294 R C -1.605 174.699 176.300 0.008 0.000 1.047 294 R CA -1.271 54.833 56.100 0.005 0.000 0.925 294 R CB 0.561 30.863 30.300 0.004 0.000 1.246 294 R HN 0.251 nan 8.270 nan 0.000 0.456 295 L N 0.722 121.950 121.223 0.009 0.000 2.296 295 L HA 0.800 5.140 4.340 -0.000 0.000 0.286 295 L C -1.283 175.594 176.870 0.012 0.000 1.023 295 L CA -0.193 54.654 54.840 0.012 0.000 0.812 295 L CB 1.671 43.737 42.059 0.013 0.000 1.223 295 L HN 0.908 nan 8.230 nan 0.000 0.421 296 A N 3.280 126.109 122.820 0.014 0.000 2.437 296 A HA 0.598 4.918 4.320 -0.000 0.000 0.293 296 A C 0.483 178.077 177.584 0.017 0.000 1.038 296 A CA -0.067 51.978 52.037 0.013 0.000 0.708 296 A CB 1.115 20.121 19.000 0.009 0.000 1.251 296 A HN 1.639 nan 8.150 nan 0.000 0.409 297 G N 0.947 109.758 108.800 0.017 0.000 2.258 297 G HA2 0.137 4.097 3.960 -0.000 0.000 0.274 297 G HA3 0.137 4.097 3.960 -0.000 0.000 0.274 297 G C 1.729 176.649 174.900 0.034 0.000 1.021 297 G CA 1.541 46.654 45.100 0.023 0.000 0.798 297 G HN 2.917 nan 8.290 nan 0.000 0.507 298 G N -2.081 106.738 108.800 0.031 0.000 2.179 298 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.260 298 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.260 298 G C 0.067 174.996 174.900 0.049 0.000 0.977 298 G CA 1.074 46.198 45.100 0.041 0.000 0.641 298 G HN 0.932 nan 8.290 nan 0.000 0.533 299 E N 0.379 120.606 120.200 0.045 0.000 2.299 299 E HA 0.376 4.726 4.350 -0.000 0.000 0.265 299 E C -0.937 175.683 176.600 0.034 0.000 0.911 299 E CA -0.747 55.683 56.400 0.050 0.000 0.789 299 E CB 1.074 30.810 29.700 0.060 0.000 1.246 299 E HN 0.224 nan 8.360 nan 0.000 0.427 300 D N 1.437 121.858 120.400 0.034 0.000 2.312 300 D HA 0.234 4.874 4.640 -0.000 0.000 0.252 300 D C 0.002 176.312 176.300 0.018 0.000 1.150 300 D CA 0.097 54.111 54.000 0.022 0.000 0.870 300 D CB 1.176 41.988 40.800 0.020 0.000 1.153 300 D HN 0.169 nan 8.370 nan 0.000 0.457 301 V N -1.149 118.771 119.914 0.011 0.000 3.130 301 V HA 0.988 5.108 4.120 -0.000 0.000 0.310 301 V C -0.895 175.200 176.094 0.001 0.000 1.158 301 V CA -0.831 61.472 62.300 0.005 0.000 1.029 301 V CB 1.814 33.639 31.823 0.002 0.000 1.057 301 V HN 0.657 nan 8.190 nan 0.000 0.436 302 A N 1.017 123.836 122.820 -0.002 0.000 2.599 302 A HA 0.796 5.116 4.320 -0.000 0.000 0.290 302 A C -1.797 175.784 177.584 -0.005 0.000 1.101 302 A CA -0.664 51.371 52.037 -0.003 0.000 0.674 302 A CB 1.657 20.654 19.000 -0.004 0.000 1.277 302 A HN 0.893 nan 8.150 nan 0.000 0.419 303 D N 0.597 120.994 120.400 -0.004 0.000 2.181 303 D HA 0.604 5.244 4.640 -0.000 0.000 0.248 303 D C -0.831 175.466 176.300 -0.005 0.000 1.020 303 D CA 0.101 54.098 54.000 -0.004 0.000 0.891 303 D CB 1.630 42.429 40.800 -0.002 0.000 1.187 303 D HN 0.410 nan 8.370 nan 0.000 0.443 304 L N 1.442 122.662 121.223 -0.006 0.000 2.349 304 L HA 0.448 4.788 4.340 -0.000 0.000 0.278 304 L C 0.186 177.053 176.870 -0.005 0.000 0.996 304 L CA -0.771 54.064 54.840 -0.007 0.000 0.825 304 L CB 2.029 44.081 42.059 -0.011 0.000 1.243 304 L HN 0.067 nan 8.230 nan 0.000 0.412 305 R N 2.862 123.358 120.500 -0.006 0.000 2.255 305 R HA 0.672 5.012 4.340 -0.000 0.000 0.326 305 R C -1.448 174.847 176.300 -0.007 0.000 0.986 305 R CA -0.450 55.648 56.100 -0.005 0.000 0.847 305 R CB 1.414 31.711 30.300 -0.005 0.000 1.111 305 R HN 0.440 nan 8.270 nan 0.000 0.452 306 V N 5.309 125.219 119.914 -0.007 0.000 2.487 306 V HA 0.542 4.662 4.120 -0.000 0.000 0.298 306 V C -0.108 175.980 176.094 -0.010 0.000 1.028 306 V CA -0.827 61.467 62.300 -0.009 0.000 0.860 306 V CB 1.697 33.515 31.823 -0.009 0.000 0.991 306 V HN 0.799 nan 8.190 nan 0.000 0.427 307 R N 1.885 122.378 120.500 -0.012 0.000 2.803 307 R HA 0.577 4.917 4.340 -0.000 0.000 0.276 307 R C -0.242 176.049 176.300 -0.016 0.000 0.978 307 R CA -0.712 55.380 56.100 -0.013 0.000 0.939 307 R CB 2.098 32.392 30.300 -0.010 0.000 1.179 307 R HN 0.728 nan 8.270 nan 0.000 0.472 308 S N 1.184 116.872 115.700 -0.019 0.000 2.593 308 S HA 0.030 4.500 4.470 -0.000 0.000 0.300 308 S C -0.307 174.284 174.600 -0.016 0.000 1.267 308 S CA 0.301 58.487 58.200 -0.023 0.000 1.065 308 S CB 0.286 63.471 63.200 -0.026 0.000 0.807 308 S HN 0.488 nan 8.310 nan 0.000 0.499 309 S N 1.071 116.762 115.700 -0.016 0.000 2.588 309 S HA 0.638 5.108 4.470 -0.000 0.000 0.275 309 S C -0.253 174.347 174.600 0.000 0.000 1.130 309 S CA -1.138 57.059 58.200 -0.007 0.000 0.855 309 S CB 1.989 65.186 63.200 -0.005 0.000 1.116 309 S HN 0.791 nan 8.310 nan 0.000 0.472 310 T N 0.616 115.174 114.554 0.008 0.000 2.799 310 T HA 0.727 5.077 4.350 -0.000 0.000 0.286 310 T C -0.376 174.338 174.700 0.023 0.000 0.973 310 T CA -0.653 61.459 62.100 0.019 0.000 1.035 310 T CB -0.084 68.795 68.868 0.018 0.000 0.932 310 T HN 0.406 nan 8.240 nan 0.000 0.469 311 L N 2.194 123.439 121.223 0.036 0.000 2.330 311 L HA 0.654 4.994 4.340 -0.000 0.000 0.271 311 L C 0.256 177.148 176.870 0.037 0.000 1.013 311 L CA -1.195 53.666 54.840 0.035 0.000 0.816 311 L CB 1.860 43.946 42.059 0.045 0.000 1.287 311 L HN 0.582 nan 8.230 nan 0.000 0.435 312 K N 0.425 120.841 120.400 0.027 0.000 2.378 312 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 312 K C -0.193 176.420 176.600 0.022 0.000 0.931 312 K CA -0.739 55.562 56.287 0.024 0.000 0.794 312 K CB 2.178 34.689 32.500 0.018 0.000 1.181 312 K HN 0.757 nan 8.250 nan 0.000 0.425 313 G N 1.044 109.857 108.800 0.022 0.000 2.491 313 G HA2 0.349 4.309 3.960 -0.000 0.000 0.238 313 G HA3 0.349 4.309 3.960 -0.000 0.000 0.238 313 G C -0.070 174.840 174.900 0.018 0.000 1.277 313 G CA -0.292 44.820 45.100 0.020 0.000 0.851 313 G HN 0.376 nan 8.290 nan 0.000 0.573 314 V N -1.173 118.753 119.914 0.019 0.000 3.160 314 V HA 0.825 4.945 4.120 -0.000 0.000 0.310 314 V C -0.025 176.084 176.094 0.024 0.000 1.181 314 V CA -1.063 61.248 62.300 0.018 0.000 1.047 314 V CB 1.743 33.574 31.823 0.014 0.000 1.068 314 V HN 0.641 nan 8.190 nan 0.000 0.441 315 T N 1.938 116.505 114.554 0.022 0.000 2.744 315 T HA 0.581 4.931 4.350 -0.000 0.000 0.291 315 T C -0.311 174.409 174.700 0.034 0.000 0.957 315 T CA -0.163 61.953 62.100 0.027 0.000 1.002 315 T CB 1.054 69.934 68.868 0.020 0.000 0.919 315 T HN 0.717 nan 8.240 nan 0.000 0.468 316 V N 7.827 127.772 119.914 0.053 0.000 2.311 316 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 316 V C -1.801 174.337 176.094 0.074 0.000 1.022 316 V CA -2.094 60.248 62.300 0.070 0.000 0.830 316 V CB 0.690 32.585 31.823 0.119 0.000 1.012 316 V HN 0.728 nan 8.190 nan 0.000 0.452 317 P HA 0.030 nan 4.420 nan 0.000 0.266 317 P C 0.900 178.232 177.300 0.053 0.000 1.195 317 P CA 0.027 63.152 63.100 0.041 0.000 0.768 317 P CB 0.924 32.641 31.700 0.028 0.000 0.838 318 E N 2.944 123.164 120.200 0.033 0.000 2.160 318 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 318 E C 0.688 177.310 176.600 0.037 0.000 0.991 318 E CA 1.869 58.285 56.400 0.027 0.000 0.810 318 E CB -0.878 28.825 29.700 0.004 0.000 0.742 318 E HN 0.531 nan 8.360 nan 0.000 0.466 319 D N 0.809 121.227 120.400 0.030 0.000 2.371 319 D HA -0.156 4.484 4.640 -0.000 0.000 0.221 319 D C 1.944 178.265 176.300 0.035 0.000 0.986 319 D CA 0.492 54.508 54.000 0.026 0.000 0.899 319 D CB -0.470 40.338 40.800 0.014 0.000 0.902 319 D HN 0.254 nan 8.370 nan 0.000 0.530 320 R N 0.036 120.566 120.500 0.051 0.000 2.246 320 R HA 0.243 4.583 4.340 -0.000 0.000 0.199 320 R C 1.967 178.316 176.300 0.082 0.000 0.984 320 R CA 0.662 56.790 56.100 0.047 0.000 1.015 320 R CB -0.032 30.291 30.300 0.038 0.000 0.930 320 R HN 0.124 nan 8.270 nan 0.000 0.475 321 A N 2.175 125.079 122.820 0.140 0.000 1.903 321 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 321 A C -0.533 177.158 177.584 0.179 0.000 1.191 321 A CA 1.296 53.481 52.037 0.247 0.000 0.638 321 A CB -1.398 17.708 19.000 0.177 0.000 0.823 321 A HN 0.318 nan 8.150 nan 0.000 0.451 322 P HA -0.135 nan 4.420 nan 0.000 0.218 322 P C 1.643 178.971 177.300 0.047 0.000 1.148 322 P CA 1.848 64.987 63.100 0.065 0.000 0.822 322 P CB -0.187 31.535 31.700 0.036 0.000 0.784 323 S N -1.162 114.556 115.700 0.030 0.000 2.607 323 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 323 S C 1.191 175.780 174.600 -0.019 0.000 0.969 323 S CA 0.500 58.702 58.200 0.003 0.000 0.927 323 S CB -1.062 62.133 63.200 -0.008 0.000 0.772 323 S HN 0.265 nan 8.310 nan 0.000 0.533 324 M N -2.054 117.534 119.600 -0.019 0.000 3.401 324 M HA 0.478 4.958 4.480 -0.000 0.000 0.488 324 M C 0.626 176.882 176.300 -0.073 0.000 1.561 324 M CA -0.417 54.818 55.300 -0.109 0.000 0.745 324 M CB -0.307 32.145 32.600 -0.246 0.000 1.531 324 M HN 0.063 nan 8.290 nan 0.000 0.548 325 I N 2.655 123.287 120.570 0.103 0.000 2.248 325 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 325 I C 1.421 177.668 176.117 0.218 0.000 1.107 325 I CA 2.181 63.633 61.300 0.255 0.000 1.373 325 I CB -0.007 38.093 38.000 0.167 0.000 1.055 325 I HN 0.380 nan 8.210 nan 0.000 0.418 326 D N -0.069 120.389 120.400 0.096 0.000 2.349 326 D HA -0.053 4.586 4.640 -0.000 0.000 0.224 326 D C 1.505 177.814 176.300 0.015 0.000 1.029 326 D CA 0.441 54.488 54.000 0.078 0.000 0.879 326 D CB 0.063 40.907 40.800 0.073 0.000 0.906 326 D HN 0.405 nan 8.370 nan 0.000 0.528 327 E N -0.898 119.256 120.200 -0.076 0.000 2.474 327 E HA 0.061 4.411 4.350 -0.000 0.000 0.195 327 E C 1.014 177.496 176.600 -0.197 0.000 1.039 327 E CA -0.115 56.177 56.400 -0.180 0.000 0.881 327 E CB -0.099 29.449 29.700 -0.253 0.000 0.970 327 E HN 0.354 nan 8.360 nan 0.000 0.486 328 Y N 0.212 120.500 120.300 -0.021 0.000 2.224 328 Y HA -0.116 4.434 4.550 -0.000 0.000 0.289 328 Y C -0.723 175.173 175.900 -0.007 0.000 1.146 328 Y CA 1.196 59.289 58.100 -0.010 0.000 1.182 328 Y CB -1.106 37.356 38.460 0.003 0.000 0.983 328 Y HN 0.206 nan 8.280 nan 0.000 0.524 329 P HA -0.203 nan 4.420 nan 0.000 0.215 329 P C 1.635 178.934 177.300 -0.001 0.000 1.157 329 P CA 1.425 64.573 63.100 0.080 0.000 0.868 329 P CB 0.001 31.762 31.700 0.103 0.000 0.788 330 I N -1.176 119.390 120.570 -0.005 0.000 2.439 330 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 330 I C 1.857 177.943 176.117 -0.051 0.000 1.139 330 I CA 0.986 62.266 61.300 -0.032 0.000 1.438 330 I CB -0.860 37.061 38.000 -0.131 0.000 1.085 330 I HN -0.195 nan 8.210 nan 0.000 0.427 331 L N 0.884 122.066 121.223 -0.069 0.000 2.093 331 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 331 L C 2.437 179.310 176.870 0.005 0.000 1.085 331 L CA 2.159 56.965 54.840 -0.056 0.000 0.755 331 L CB -1.159 40.829 42.059 -0.119 0.000 0.904 331 L HN 0.222 nan 8.230 nan 0.000 0.435 332 A N -1.162 121.675 122.820 0.028 0.000 1.972 332 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 332 A C 2.258 179.843 177.584 0.001 0.000 1.169 332 A CA 1.842 53.901 52.037 0.037 0.000 0.635 332 A CB -0.994 18.043 19.000 0.063 0.000 0.810 332 A HN 0.314 nan 8.150 nan 0.000 0.446 333 V N -0.349 119.543 119.914 -0.036 0.000 2.379 333 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 333 V C 3.030 179.220 176.094 0.159 0.000 1.044 333 V CA 1.747 64.046 62.300 -0.003 0.000 1.036 333 V CB -1.028 30.748 31.823 -0.079 0.000 0.664 333 V HN 0.605 nan 8.190 nan 0.000 0.453 334 A N 0.095 122.984 122.820 0.116 0.000 1.933 334 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 334 A C 2.397 180.075 177.584 0.157 0.000 1.175 334 A CA 1.950 54.082 52.037 0.158 0.000 0.628 334 A CB -0.733 18.303 19.000 0.060 0.000 0.814 334 A HN 0.568 nan 8.150 nan 0.000 0.444 335 A N -0.223 122.642 122.820 0.075 0.000 2.019 335 A HA 0.191 4.511 4.320 -0.000 0.000 0.219 335 A C 2.337 179.918 177.584 -0.005 0.000 1.164 335 A CA 1.739 53.801 52.037 0.042 0.000 0.644 335 A CB -0.799 18.218 19.000 0.029 0.000 0.805 335 A HN 1.082 nan 8.150 nan 0.000 0.449 336 A N -1.695 121.082 122.820 -0.071 0.000 2.121 336 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 336 A C 1.281 178.542 177.584 -0.537 0.000 1.154 336 A CA 1.008 52.855 52.037 -0.318 0.000 0.679 336 A CB -0.564 18.160 19.000 -0.461 0.000 0.795 336 A HN 0.512 nan 8.150 nan 0.000 0.458 337 F N -1.093 118.865 119.950 0.014 0.000 2.683 337 F HA 0.514 5.041 4.527 -0.000 0.000 0.306 337 F C 1.023 176.829 175.800 0.010 0.000 1.102 337 F CA -0.084 57.924 58.000 0.013 0.000 1.244 337 F CB 0.230 39.237 39.000 0.011 0.000 1.029 337 F HN 0.173 nan 8.300 nan 0.000 0.545 338 A N 0.160 123.050 122.820 0.118 0.000 2.295 338 A HA 0.544 4.864 4.320 -0.000 0.000 0.318 338 A C -0.235 177.377 177.584 0.046 0.000 1.134 338 A CA -0.441 51.644 52.037 0.080 0.000 0.827 338 A CB 0.535 19.570 19.000 0.059 0.000 1.136 338 A HN 0.130 nan 8.150 nan 0.000 0.493 339 E N 0.576 120.801 120.200 0.041 0.000 2.257 339 E HA 0.469 4.819 4.350 -0.000 0.000 0.278 339 E C 0.720 177.331 176.600 0.019 0.000 1.049 339 E CA 1.505 57.922 56.400 0.028 0.000 0.876 339 E CB -0.090 29.626 29.700 0.026 0.000 1.035 339 E HN 1.716 nan 8.360 nan 0.000 0.419 340 G N 2.796 111.603 108.800 0.012 0.000 2.627 340 G HA2 0.114 4.074 3.960 -0.000 0.000 0.214 340 G HA3 0.114 4.074 3.960 -0.000 0.000 0.214 340 G C -0.563 174.341 174.900 0.007 0.000 1.331 340 G CA -0.498 44.608 45.100 0.009 0.000 0.891 340 G HN 0.967 nan 8.290 nan 0.000 0.539 341 A N -0.615 122.210 122.820 0.008 0.000 2.301 341 A HA 0.816 5.136 4.320 -0.000 0.000 0.312 341 A C 0.364 177.957 177.584 0.015 0.000 1.182 341 A CA 0.721 52.764 52.037 0.009 0.000 0.826 341 A CB 1.053 20.058 19.000 0.008 0.000 1.134 341 A HN 1.475 nan 8.150 nan 0.000 0.501 342 T N 2.049 116.614 114.554 0.019 0.000 2.779 342 T HA 0.511 4.861 4.350 -0.000 0.000 0.280 342 T C -0.535 174.185 174.700 0.034 0.000 0.987 342 T CA -0.219 61.898 62.100 0.029 0.000 0.966 342 T CB 1.011 69.900 68.868 0.034 0.000 0.933 342 T HN 0.417 nan 8.240 nan 0.000 0.442 343 V N 5.313 125.249 119.914 0.037 0.000 2.409 343 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 343 V C -0.355 175.770 176.094 0.051 0.000 1.020 343 V CA -0.713 61.607 62.300 0.034 0.000 0.848 343 V CB 1.387 33.223 31.823 0.022 0.000 0.990 343 V HN 0.872 nan 8.190 nan 0.000 0.430 344 M N 6.325 125.955 119.600 0.050 0.000 2.197 344 M HA 0.516 4.996 4.480 -0.000 0.000 0.301 344 M C -0.430 175.855 176.300 -0.024 0.000 0.987 344 M CA -0.441 54.897 55.300 0.062 0.000 0.921 344 M CB 1.882 34.566 32.600 0.140 0.000 1.569 344 M HN 0.797 nan 8.290 nan 0.000 0.431 345 N N 1.025 119.708 118.700 -0.028 0.000 2.815 345 N HA 0.675 5.415 4.740 -0.000 0.000 0.315 345 N C 0.495 175.948 175.510 -0.094 0.000 1.320 345 N CA -0.116 52.898 53.050 -0.061 0.000 0.846 345 N CB 0.904 39.374 38.487 -0.028 0.000 1.344 345 N HN 0.789 nan 8.380 nan 0.000 0.593 346 G N -0.866 107.884 108.800 -0.082 0.000 2.246 346 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.273 346 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.273 346 G C 0.142 174.957 174.900 -0.141 0.000 1.055 346 G CA 0.550 45.602 45.100 -0.080 0.000 0.851 346 G HN 0.511 nan 8.290 nan 0.000 0.500 347 L N 0.360 121.474 121.223 -0.182 0.000 2.700 347 L HA 0.155 4.495 4.340 -0.000 0.000 0.234 347 L C 2.461 179.247 176.870 -0.141 0.000 1.156 347 L CA 0.470 55.162 54.840 -0.245 0.000 0.946 347 L CB -0.149 41.718 42.059 -0.320 0.000 1.216 347 L HN 0.513 nan 8.230 nan 0.000 0.493 348 E N 0.472 120.617 120.200 -0.091 0.000 2.130 348 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 348 E C 1.074 177.646 176.600 -0.047 0.000 0.998 348 E CA 1.340 57.704 56.400 -0.059 0.000 0.806 348 E CB -0.139 29.536 29.700 -0.042 0.000 0.738 348 E HN 0.463 nan 8.360 nan 0.000 0.459 349 E N 0.870 121.044 120.200 -0.044 0.000 2.265 349 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 349 E C 2.346 178.938 176.600 -0.014 0.000 0.996 349 E CA 0.394 56.782 56.400 -0.020 0.000 0.832 349 E CB -0.197 29.501 29.700 -0.003 0.000 0.756 349 E HN 0.431 nan 8.360 nan 0.000 0.491 350 L N 0.170 121.371 121.223 -0.035 0.000 2.191 350 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 350 L C 2.322 179.186 176.870 -0.010 0.000 1.103 350 L CA 0.875 55.706 54.840 -0.016 0.000 0.769 350 L CB -0.284 41.747 42.059 -0.046 0.000 0.908 350 L HN 0.006 nan 8.230 nan 0.000 0.438 351 R N -0.060 120.426 120.500 -0.024 0.000 2.280 351 R HA -0.041 4.299 4.340 -0.000 0.000 0.207 351 R C 1.395 177.685 176.300 -0.016 0.000 1.043 351 R CA 0.933 57.018 56.100 -0.024 0.000 1.006 351 R CB 0.019 30.300 30.300 -0.031 0.000 0.885 351 R HN 0.378 nan 8.270 nan 0.000 0.467 352 V N -2.224 117.686 119.914 -0.005 0.000 3.214 352 V HA 0.255 4.375 4.120 -0.000 0.000 0.330 352 V C 0.388 176.491 176.094 0.015 0.000 1.403 352 V CA -0.445 61.856 62.300 0.001 0.000 1.143 352 V CB -0.077 31.744 31.823 -0.002 0.000 1.098 352 V HN -0.099 nan 8.190 nan 0.000 0.463 353 K N 0.899 121.316 120.400 0.027 0.000 2.761 353 K HA 0.366 4.686 4.320 -0.000 0.000 0.286 353 K C 1.256 177.894 176.600 0.063 0.000 1.019 353 K CA -0.112 56.207 56.287 0.052 0.000 1.070 353 K CB 0.566 33.107 32.500 0.068 0.000 1.387 353 K HN 0.141 nan 8.250 nan 0.000 0.509 354 E N 0.694 120.953 120.200 0.099 0.000 2.147 354 E HA -0.167 4.183 4.350 -0.000 0.000 0.199 354 E C 0.605 177.261 176.600 0.093 0.000 1.005 354 E CA 1.514 57.982 56.400 0.113 0.000 0.810 354 E CB -0.013 29.796 29.700 0.181 0.000 0.736 354 E HN 0.545 nan 8.360 nan 0.000 0.460 355 S N -0.771 114.977 115.700 0.080 0.000 2.667 355 S HA 0.281 4.751 4.470 -0.000 0.000 0.292 355 S C -0.881 173.718 174.600 -0.001 0.000 1.126 355 S CA -1.155 57.069 58.200 0.041 0.000 0.881 355 S CB 1.686 64.934 63.200 0.080 0.000 1.132 355 S HN -0.034 nan 8.310 nan 0.000 0.492 356 D N 0.164 120.523 120.400 -0.069 0.000 2.359 356 D HA 0.207 4.847 4.640 -0.000 0.000 0.250 356 D C 0.939 177.219 176.300 -0.034 0.000 1.264 356 D CA -0.122 53.843 54.000 -0.058 0.000 0.911 356 D CB 0.391 41.135 40.800 -0.094 0.000 1.056 356 D HN 0.536 nan 8.370 nan 0.000 0.499 357 R N 2.478 122.984 120.500 0.010 0.000 2.148 357 R HA -0.108 4.232 4.340 -0.000 0.000 0.227 357 R C 1.727 178.056 176.300 0.048 0.000 1.103 357 R CA 0.382 56.511 56.100 0.048 0.000 0.983 357 R CB 0.029 30.371 30.300 0.070 0.000 0.874 357 R HN 0.365 nan 8.270 nan 0.000 0.451 358 L N 0.293 121.522 121.223 0.011 0.000 2.027 358 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 358 L C 2.231 179.109 176.870 0.014 0.000 1.074 358 L CA 1.832 56.674 54.840 0.004 0.000 0.745 358 L CB -0.853 41.188 42.059 -0.031 0.000 0.898 358 L HN 0.001 nan 8.230 nan 0.000 0.433 359 S N -0.920 114.774 115.700 -0.010 0.000 2.368 359 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 359 S C 2.134 176.739 174.600 0.007 0.000 1.029 359 S CA 1.164 59.353 58.200 -0.018 0.000 0.988 359 S CB -0.372 62.789 63.200 -0.065 0.000 0.838 359 S HN 0.607 nan 8.310 nan 0.000 0.462 360 A N 0.697 123.527 122.820 0.017 0.000 1.898 360 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 360 A C 2.325 179.992 177.584 0.138 0.000 1.181 360 A CA 1.697 53.787 52.037 0.089 0.000 0.620 360 A CB -0.947 18.137 19.000 0.141 0.000 0.819 360 A HN 0.447 nan 8.150 nan 0.000 0.442 361 V N -0.233 119.797 119.914 0.193 0.000 2.307 361 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 361 V C 3.066 179.308 176.094 0.247 0.000 1.045 361 V CA 1.854 64.347 62.300 0.322 0.000 1.024 361 V CB -1.170 30.792 31.823 0.232 0.000 0.651 361 V HN 0.609 nan 8.190 nan 0.000 0.449 362 A N 0.497 123.393 122.820 0.128 0.000 1.877 362 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 362 A C 2.043 179.662 177.584 0.059 0.000 1.186 362 A CA 2.199 54.287 52.037 0.085 0.000 0.620 362 A CB -0.721 18.305 19.000 0.044 0.000 0.822 362 A HN 0.588 nan 8.150 nan 0.000 0.443 363 N N 0.139 118.857 118.700 0.029 0.000 2.166 363 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 363 N C 1.795 177.256 175.510 -0.082 0.000 1.019 363 N CA 1.468 54.510 53.050 -0.013 0.000 0.856 363 N CB -0.809 37.676 38.487 -0.003 0.000 0.993 363 N HN 0.477 nan 8.380 nan 0.000 0.426 364 G N 0.887 109.580 108.800 -0.179 0.000 2.408 364 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 364 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 364 G C 1.657 176.434 174.900 -0.205 0.000 1.150 364 G CA 0.260 45.014 45.100 -0.577 0.000 0.776 364 G HN 0.212 nan 8.290 nan 0.000 0.542 365 L N -0.063 121.260 121.223 0.166 0.000 2.027 365 L HA -0.045 4.295 4.340 -0.000 0.000 0.206 365 L C 2.980 179.899 176.870 0.081 0.000 1.074 365 L CA 1.320 56.300 54.840 0.234 0.000 0.745 365 L CB -0.303 41.873 42.059 0.196 0.000 0.898 365 L HN 0.167 nan 8.230 nan 0.000 0.433 366 K N -0.194 120.228 120.400 0.036 0.000 2.057 366 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 366 K C 1.995 178.592 176.600 -0.005 0.000 1.049 366 K CA 1.150 57.443 56.287 0.010 0.000 0.931 366 K CB -0.341 32.161 32.500 0.003 0.000 0.714 366 K HN 0.066 nan 8.250 nan 0.000 0.440 367 L N 1.766 122.971 121.223 -0.030 0.000 2.187 367 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 367 L C 0.725 177.585 176.870 -0.017 0.000 1.100 367 L CA 1.692 56.508 54.840 -0.041 0.000 0.765 367 L CB -0.220 41.784 42.059 -0.092 0.000 0.904 367 L HN 0.163 nan 8.230 nan 0.000 0.437 368 N N -0.088 118.617 118.700 0.009 0.000 2.320 368 N HA 0.190 4.930 4.740 -0.000 0.000 0.237 368 N C 0.994 176.523 175.510 0.032 0.000 1.129 368 N CA 0.750 53.827 53.050 0.045 0.000 0.854 368 N CB 0.389 38.945 38.487 0.115 0.000 1.083 368 N HN 0.422 nan 8.380 nan 0.000 0.504 369 G N 0.175 108.983 108.800 0.013 0.000 2.153 369 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 369 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 369 G C 0.111 175.000 174.900 -0.017 0.000 0.994 369 G CA 0.160 45.260 45.100 -0.001 0.000 0.698 369 G HN 0.218 nan 8.290 nan 0.000 0.521 370 V N 0.796 120.702 119.914 -0.014 0.000 2.546 370 V HA 0.432 4.552 4.120 -0.000 0.000 0.284 370 V C 0.450 176.533 176.094 -0.018 0.000 1.050 370 V CA -0.385 61.893 62.300 -0.036 0.000 0.981 370 V CB 1.796 33.600 31.823 -0.032 0.000 0.990 370 V HN 0.365 nan 8.190 nan 0.000 0.474 371 D N 4.309 124.693 120.400 -0.027 0.000 2.336 371 D HA 0.401 5.041 4.640 -0.000 0.000 0.249 371 D C -0.341 175.954 176.300 -0.008 0.000 1.213 371 D CA -0.080 53.912 54.000 -0.015 0.000 0.870 371 D CB 0.513 41.303 40.800 -0.017 0.000 1.076 371 D HN 0.809 nan 8.370 nan 0.000 0.483 372 C N 2.068 121.369 119.300 0.002 0.000 3.241 372 C HA 0.732 5.192 4.460 -0.000 0.000 0.312 372 C C -1.375 173.620 174.990 0.008 0.000 1.350 372 C CA -0.948 58.075 59.018 0.008 0.000 1.415 372 C CB 1.996 29.749 27.740 0.022 0.000 1.770 372 C HN 0.486 nan 8.230 nan 0.000 0.466 373 D N 1.525 121.930 120.400 0.008 0.000 2.549 373 D HA 0.346 4.986 4.640 -0.000 0.000 0.251 373 D C -0.956 175.347 176.300 0.004 0.000 1.153 373 D CA 0.210 54.213 54.000 0.004 0.000 0.861 373 D CB 2.019 42.820 40.800 0.001 0.000 1.207 373 D HN 0.796 nan 8.370 nan 0.000 0.543 374 E N 1.474 121.676 120.200 0.003 0.000 2.200 374 E HA 0.520 4.870 4.350 -0.000 0.000 0.283 374 E C -0.231 176.364 176.600 -0.009 0.000 1.015 374 E CA -0.614 55.785 56.400 -0.002 0.000 0.819 374 E CB 1.100 30.800 29.700 0.001 0.000 1.081 374 E HN 0.510 nan 8.360 nan 0.000 0.397 375 G N 2.964 111.755 108.800 -0.016 0.000 2.601 375 G HA2 0.091 4.051 3.960 -0.000 0.000 0.317 375 G HA3 0.091 4.051 3.960 -0.000 0.000 0.317 375 G C 0.334 175.218 174.900 -0.026 0.000 1.246 375 G CA -0.362 44.727 45.100 -0.019 0.000 1.012 375 G HN 0.690 nan 8.290 nan 0.000 0.494 376 E N -0.921 119.264 120.200 -0.025 0.000 2.110 376 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 376 E C 1.545 178.122 176.600 -0.039 0.000 0.988 376 E CA 1.730 58.113 56.400 -0.028 0.000 0.804 376 E CB 0.020 29.706 29.700 -0.024 0.000 0.745 376 E HN 0.514 nan 8.360 nan 0.000 0.458 377 T N -1.952 112.575 114.554 -0.044 0.000 3.516 377 T HA 0.267 4.617 4.350 -0.000 0.000 0.300 377 T C -0.265 174.388 174.700 -0.079 0.000 0.995 377 T CA -0.303 61.759 62.100 -0.063 0.000 0.982 377 T CB 0.313 69.147 68.868 -0.055 0.000 1.199 377 T HN 0.079 nan 8.240 nan 0.000 0.481 378 S N 0.641 116.300 115.700 -0.068 0.000 2.588 378 S HA 0.830 5.300 4.470 -0.000 0.000 0.269 378 S C -2.002 172.569 174.600 -0.047 0.000 1.157 378 S CA -0.982 57.178 58.200 -0.068 0.000 0.824 378 S CB 2.132 65.307 63.200 -0.042 0.000 1.126 378 S HN 0.482 nan 8.310 nan 0.000 0.464 379 L N 1.070 122.273 121.223 -0.034 0.000 2.455 379 L HA 0.825 5.165 4.340 -0.000 0.000 0.264 379 L C -1.764 175.113 176.870 0.011 0.000 0.968 379 L CA -0.401 54.436 54.840 -0.005 0.000 0.827 379 L CB 2.083 44.147 42.059 0.008 0.000 1.317 379 L HN 0.771 nan 8.230 nan 0.000 0.407 380 V N 5.098 125.020 119.914 0.013 0.000 2.495 380 V HA 0.703 4.823 4.120 -0.000 0.000 0.298 380 V C -0.730 175.373 176.094 0.016 0.000 1.031 380 V CA -0.643 61.666 62.300 0.015 0.000 0.871 380 V CB 1.973 33.801 31.823 0.008 0.000 0.988 380 V HN 0.521 nan 8.190 nan 0.000 0.432 381 V N 5.633 125.557 119.914 0.017 0.000 2.531 381 V HA 0.555 4.675 4.120 -0.000 0.000 0.301 381 V C -0.174 175.918 176.094 -0.003 0.000 1.034 381 V CA -0.809 61.496 62.300 0.008 0.000 0.865 381 V CB 2.116 33.946 31.823 0.012 0.000 0.995 381 V HN 0.808 nan 8.190 nan 0.000 0.424 382 R N 2.323 122.814 120.500 -0.015 0.000 2.338 382 R HA 0.670 5.010 4.340 -0.000 0.000 0.317 382 R C 0.323 176.597 176.300 -0.042 0.000 0.968 382 R CA -0.359 55.730 56.100 -0.019 0.000 0.849 382 R CB 2.071 32.362 30.300 -0.014 0.000 1.128 382 R HN 0.905 nan 8.270 nan 0.000 0.448 383 G N 0.975 109.751 108.800 -0.039 0.000 2.488 383 G HA2 0.385 4.345 3.960 -0.000 0.000 0.318 383 G HA3 0.385 4.345 3.960 -0.000 0.000 0.318 383 G C -0.837 174.028 174.900 -0.059 0.000 1.188 383 G CA -0.465 44.591 45.100 -0.073 0.000 0.944 383 G HN 0.355 nan 8.290 nan 0.000 0.495 384 R N 0.988 121.434 120.500 -0.091 0.000 2.513 384 R HA 0.425 4.765 4.340 -0.000 0.000 0.283 384 R C -2.021 174.314 176.300 0.059 0.000 1.535 384 R CA -1.780 54.302 56.100 -0.030 0.000 1.315 384 R CB 1.391 31.656 30.300 -0.059 0.000 1.163 384 R HN 0.204 nan 8.270 nan 0.000 0.573 385 P HA -0.199 nan 4.420 nan 0.000 0.217 385 P C 0.141 177.548 177.300 0.178 0.000 1.151 385 P CA 1.490 64.681 63.100 0.151 0.000 0.849 385 P CB 0.234 31.987 31.700 0.089 0.000 0.787 386 D N -2.332 118.146 120.400 0.129 0.000 2.349 386 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 386 D C 1.461 177.861 176.300 0.165 0.000 1.029 386 D CA 0.701 54.772 54.000 0.117 0.000 0.879 386 D CB -1.146 39.697 40.800 0.072 0.000 0.906 386 D HN 0.214 nan 8.370 nan 0.000 0.528 387 G N 0.151 109.106 108.800 0.258 0.000 2.196 387 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.268 387 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.268 387 G C 0.215 175.218 174.900 0.171 0.000 0.975 387 G CA 0.288 45.590 45.100 0.338 0.000 0.648 387 G HN 0.332 nan 8.290 nan 0.000 0.538 388 K N 0.444 120.906 120.400 0.104 0.000 2.448 388 K HA 0.441 4.761 4.320 -0.000 0.000 0.278 388 K C 1.499 178.127 176.600 0.046 0.000 1.009 388 K CA 0.735 57.062 56.287 0.067 0.000 0.995 388 K CB 0.495 33.024 32.500 0.049 0.000 0.917 388 K HN 1.322 nan 8.250 nan 0.000 0.481 389 G N 1.635 110.461 108.800 0.043 0.000 2.184 389 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.264 389 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.264 389 G C 0.137 175.053 174.900 0.027 0.000 0.975 389 G CA 0.164 45.281 45.100 0.029 0.000 0.642 389 G HN 0.429 nan 8.290 nan 0.000 0.536 390 L N 0.051 121.300 121.223 0.044 0.000 2.399 390 L HA 0.670 5.010 4.340 -0.000 0.000 0.265 390 L C 1.300 178.221 176.870 0.085 0.000 1.089 390 L CA 0.123 54.988 54.840 0.041 0.000 0.802 390 L CB 1.188 43.250 42.059 0.005 0.000 1.180 390 L HN 1.150 nan 8.230 nan 0.000 0.454 391 G N 1.556 110.410 108.800 0.091 0.000 2.627 391 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.214 391 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.214 391 G C -0.987 173.951 174.900 0.063 0.000 1.331 391 G CA -0.602 44.560 45.100 0.103 0.000 0.891 391 G HN 0.713 nan 8.290 nan 0.000 0.539 392 N N 0.376 119.108 118.700 0.054 0.000 2.577 392 N HA 0.506 5.246 4.740 -0.000 0.000 0.275 392 N C 1.068 176.594 175.510 0.027 0.000 1.091 392 N CA 0.522 53.590 53.050 0.031 0.000 0.843 392 N CB 1.430 39.927 38.487 0.016 0.000 1.295 392 N HN 1.219 nan 8.380 nan 0.000 0.530 393 A N 2.130 124.965 122.820 0.024 0.000 1.972 393 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 393 A C 1.914 179.506 177.584 0.014 0.000 1.169 393 A CA 2.058 54.108 52.037 0.021 0.000 0.635 393 A CB -0.352 18.659 19.000 0.019 0.000 0.810 393 A HN 0.708 nan 8.150 nan 0.000 0.446 394 S N -1.734 113.971 115.700 0.009 0.000 2.561 394 S HA 0.326 4.796 4.470 -0.000 0.000 0.225 394 S C 1.446 176.048 174.600 0.003 0.000 0.977 394 S CA 1.127 59.330 58.200 0.005 0.000 0.926 394 S CB -0.483 62.717 63.200 0.001 0.000 0.769 394 S HN 1.957 nan 8.310 nan 0.000 0.533 395 G N 0.766 109.569 108.800 0.006 0.000 2.136 395 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.242 395 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.242 395 G C 0.245 175.142 174.900 -0.006 0.000 0.989 395 G CA -0.024 45.078 45.100 0.004 0.000 0.682 395 G HN 1.331 nan 8.290 nan 0.000 0.522 396 A N -0.146 122.668 122.820 -0.011 0.000 2.511 396 A HA 0.717 5.037 4.320 -0.000 0.000 0.242 396 A C 0.953 178.517 177.584 -0.035 0.000 1.069 396 A CA 1.075 53.098 52.037 -0.023 0.000 0.763 396 A CB 0.453 19.438 19.000 -0.026 0.000 1.001 396 A HN 2.114 nan 8.150 nan 0.000 0.498 397 A N 2.542 125.334 122.820 -0.047 0.000 2.309 397 A HA 0.547 4.867 4.320 -0.000 0.000 0.298 397 A C 0.127 177.646 177.584 -0.107 0.000 1.165 397 A CA -0.457 51.542 52.037 -0.064 0.000 0.821 397 A CB 0.324 19.290 19.000 -0.056 0.000 1.102 397 A HN 1.017 nan 8.150 nan 0.000 0.500 398 V N 2.151 121.977 119.914 -0.147 0.000 2.585 398 V HA 0.299 4.419 4.120 -0.000 0.000 0.296 398 V C 1.083 177.057 176.094 -0.200 0.000 1.035 398 V CA 0.343 62.493 62.300 -0.250 0.000 1.084 398 V CB 0.819 32.380 31.823 -0.435 0.000 0.953 398 V HN 1.037 nan 8.190 nan 0.000 0.483 399 A N 3.828 126.524 122.820 -0.206 0.000 2.396 399 A HA 0.413 4.733 4.320 -0.000 0.000 0.279 399 A C 1.299 178.754 177.584 -0.215 0.000 1.165 399 A CA 0.263 52.139 52.037 -0.269 0.000 0.824 399 A CB 0.194 18.975 19.000 -0.366 0.000 1.100 399 A HN 1.070 nan 8.150 nan 0.000 0.516 400 T N -0.663 113.786 114.554 -0.175 0.000 3.067 400 T HA 0.003 4.353 4.350 -0.000 0.000 0.261 400 T C 0.692 175.431 174.700 0.064 0.000 1.110 400 T CA 0.862 62.946 62.100 -0.028 0.000 1.113 400 T CB -0.439 68.420 68.868 -0.015 0.000 0.917 400 T HN 0.822 nan 8.240 nan 0.000 0.499 401 H N 1.790 120.864 119.070 0.007 0.000 2.692 401 H HA -0.132 4.424 4.556 -0.000 0.000 0.316 401 H C 0.630 175.979 175.328 0.034 0.000 1.176 401 H CA 0.931 56.989 56.048 0.018 0.000 1.142 401 H CB -2.229 27.544 29.762 0.019 0.000 1.475 401 H HN 0.543 nan 8.280 nan 0.000 0.423 402 L N -1.251 120.026 121.223 0.089 0.000 3.976 402 L HA -0.251 4.089 4.340 -0.000 0.000 0.418 402 L C 0.389 177.332 176.870 0.122 0.000 1.177 402 L CA 1.285 56.175 54.840 0.085 0.000 0.968 402 L CB -0.755 41.352 42.059 0.081 0.000 1.933 402 L HN 0.346 nan 8.230 nan 0.000 0.976 403 D N -0.139 120.344 120.400 0.137 0.000 2.441 403 D HA 0.163 4.803 4.640 -0.000 0.000 0.231 403 D C 1.576 177.963 176.300 0.146 0.000 1.073 403 D CA -0.298 53.810 54.000 0.180 0.000 0.850 403 D CB 0.710 41.599 40.800 0.148 0.000 1.062 403 D HN 0.295 nan 8.370 nan 0.000 0.524 404 H N 4.339 123.415 119.070 0.011 0.000 2.394 404 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 404 H C 0.934 176.198 175.328 -0.105 0.000 1.113 404 H CA 1.161 57.176 56.048 -0.056 0.000 1.277 404 H CB -0.044 29.701 29.762 -0.028 0.000 1.370 404 H HN 0.381 nan 8.280 nan 0.000 0.506 405 R N -0.081 120.104 120.500 -0.525 0.000 2.193 405 R HA 0.067 4.407 4.340 -0.000 0.000 0.213 405 R C 2.339 178.592 176.300 -0.078 0.000 1.055 405 R CA 0.580 56.502 56.100 -0.297 0.000 0.995 405 R CB 0.255 30.454 30.300 -0.169 0.000 0.893 405 R HN 0.275 nan 8.270 nan 0.000 0.459 406 I N 0.790 121.365 120.570 0.009 0.000 2.286 406 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 406 I C 2.497 178.717 176.117 0.171 0.000 1.104 406 I CA 1.075 62.486 61.300 0.185 0.000 1.397 406 I CB -1.300 36.822 38.000 0.204 0.000 1.072 406 I HN 0.075 nan 8.210 nan 0.000 0.417 407 A N 0.824 123.645 122.820 0.003 0.000 1.858 407 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 407 A C 2.404 179.864 177.584 -0.207 0.000 1.190 407 A CA 1.704 53.703 52.037 -0.063 0.000 0.617 407 A CB -0.581 18.347 19.000 -0.120 0.000 0.827 407 A HN 0.325 nan 8.150 nan 0.000 0.443 408 M N -0.417 118.873 119.600 -0.516 0.000 2.132 408 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 408 M C 2.427 178.463 176.300 -0.440 0.000 1.065 408 M CA 1.639 56.381 55.300 -0.930 0.000 1.122 408 M CB -0.333 31.115 32.600 -1.919 0.000 1.365 408 M HN 0.423 nan 8.290 nan 0.000 0.411 409 S N 0.200 115.780 115.700 -0.200 0.000 2.368 409 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 409 S C 1.576 176.065 174.600 -0.185 0.000 1.030 409 S CA 1.331 59.513 58.200 -0.031 0.000 0.999 409 S CB -0.392 62.753 63.200 -0.092 0.000 0.844 409 S HN 0.347 nan 8.310 nan 0.000 0.459 410 F N 1.261 121.239 119.950 0.046 0.000 2.367 410 F HA 0.152 4.679 4.527 -0.000 0.000 0.298 410 F C 1.891 177.732 175.800 0.069 0.000 1.094 410 F CA 0.440 58.479 58.000 0.064 0.000 1.409 410 F CB -0.342 38.681 39.000 0.039 0.000 1.064 410 F HN 0.108 nan 8.300 nan 0.000 0.528 411 L N -0.954 120.366 121.223 0.162 0.000 2.093 411 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 411 L C 2.322 179.287 176.870 0.159 0.000 1.085 411 L CA 0.570 55.504 54.840 0.157 0.000 0.755 411 L CB -0.651 41.513 42.059 0.176 0.000 0.904 411 L HN -0.033 nan 8.230 nan 0.000 0.435 412 V N -0.205 119.807 119.914 0.162 0.000 2.343 412 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 412 V C 2.455 178.606 176.094 0.094 0.000 1.051 412 V CA 1.976 64.363 62.300 0.145 0.000 1.036 412 V CB -0.351 31.591 31.823 0.199 0.000 0.654 412 V HN 0.468 nan 8.190 nan 0.000 0.451 413 M N 0.532 120.201 119.600 0.115 0.000 2.106 413 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 413 M C 1.951 178.367 176.300 0.194 0.000 1.068 413 M CA 2.326 57.746 55.300 0.201 0.000 1.100 413 M CB -0.574 32.168 32.600 0.237 0.000 1.351 413 M HN 0.401 nan 8.290 nan 0.000 0.404 414 G N 0.166 109.062 108.800 0.160 0.000 2.509 414 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 414 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 414 G C 1.290 176.231 174.900 0.068 0.000 1.124 414 G CA 0.429 45.604 45.100 0.126 0.000 0.776 414 G HN 0.495 nan 8.290 nan 0.000 0.547 415 L N 0.144 121.387 121.223 0.034 0.000 2.478 415 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 415 L C 2.104 178.935 176.870 -0.064 0.000 1.140 415 L CA 0.062 54.893 54.840 -0.014 0.000 0.842 415 L CB 0.138 42.181 42.059 -0.026 0.000 0.953 415 L HN 0.131 nan 8.230 nan 0.000 0.452 416 V N -2.750 117.103 119.914 -0.101 0.000 3.219 416 V HA 0.068 4.188 4.120 -0.000 0.000 0.240 416 V C 1.289 177.347 176.094 -0.060 0.000 1.222 416 V CA 0.382 62.530 62.300 -0.253 0.000 1.181 416 V CB 0.372 31.702 31.823 -0.822 0.000 0.941 416 V HN 0.396 nan 8.190 nan 0.000 0.471 417 S N 0.600 116.401 115.700 0.168 0.000 2.584 417 S HA 0.071 4.541 4.470 -0.000 0.000 0.270 417 S C 1.083 175.777 174.600 0.157 0.000 1.346 417 S CA 0.337 58.719 58.200 0.303 0.000 1.018 417 S CB 1.259 64.651 63.200 0.319 0.000 0.899 417 S HN 0.524 nan 8.310 nan 0.000 0.542 418 E N 1.644 121.932 120.200 0.146 0.000 2.077 418 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 418 E C -0.060 176.583 176.600 0.071 0.000 0.989 418 E CA 0.942 57.396 56.400 0.090 0.000 0.800 418 E CB 0.029 29.775 29.700 0.077 0.000 0.746 418 E HN 0.682 nan 8.360 nan 0.000 0.452 419 N N 1.036 119.783 118.700 0.079 0.000 2.417 419 N HA 0.282 5.022 4.740 -0.000 0.000 0.300 419 N C -2.625 172.929 175.510 0.074 0.000 1.102 419 N CA -1.673 51.415 53.050 0.063 0.000 0.886 419 N CB 1.391 39.910 38.487 0.053 0.000 1.203 419 N HN -0.048 nan 8.380 nan 0.000 0.496 420 P HA 0.045 nan 4.420 nan 0.000 0.269 420 P C -0.499 176.847 177.300 0.077 0.000 1.217 420 P CA -0.073 63.065 63.100 0.063 0.000 0.783 420 P CB 0.691 32.417 31.700 0.044 0.000 0.898 421 V N 2.239 122.208 119.914 0.092 0.000 2.495 421 V HA 0.406 4.526 4.120 -0.000 0.000 0.298 421 V C 0.089 176.233 176.094 0.083 0.000 1.031 421 V CA -0.191 62.175 62.300 0.110 0.000 0.871 421 V CB 1.990 33.925 31.823 0.188 0.000 0.988 421 V HN 0.490 nan 8.190 nan 0.000 0.432 422 T N 4.061 118.646 114.554 0.052 0.000 2.829 422 T HA 0.640 4.990 4.350 -0.000 0.000 0.280 422 T C -0.441 174.264 174.700 0.008 0.000 0.999 422 T CA -0.441 61.676 62.100 0.028 0.000 0.983 422 T CB 1.716 70.588 68.868 0.007 0.000 0.968 422 T HN 0.702 nan 8.240 nan 0.000 0.446 423 V N 0.617 120.537 119.914 0.010 0.000 2.581 423 V HA 0.541 4.661 4.120 -0.000 0.000 0.303 423 V C 0.813 176.888 176.094 -0.032 0.000 1.041 423 V CA -0.938 61.353 62.300 -0.015 0.000 0.907 423 V CB 1.739 33.569 31.823 0.013 0.000 0.994 423 V HN 0.840 nan 8.190 nan 0.000 0.442 424 D N 0.858 121.223 120.400 -0.058 0.000 2.348 424 D HA 0.039 4.679 4.640 -0.000 0.000 0.216 424 D C 0.140 176.414 176.300 -0.044 0.000 0.970 424 D CA 0.944 54.910 54.000 -0.057 0.000 0.889 424 D CB 0.149 40.897 40.800 -0.086 0.000 0.912 424 D HN 0.776 nan 8.370 nan 0.000 0.524 425 D N -1.766 118.612 120.400 -0.037 0.000 2.878 425 D HA 0.493 5.133 4.640 -0.000 0.000 0.211 425 D C -0.748 175.537 176.300 -0.025 0.000 1.271 425 D CA -0.446 53.538 54.000 -0.027 0.000 0.845 425 D CB 1.526 42.309 40.800 -0.028 0.000 1.679 425 D HN -0.105 nan 8.370 nan 0.000 0.536 426 A N 2.054 124.862 122.820 -0.019 0.000 2.431 426 A HA 0.169 4.489 4.320 -0.000 0.000 0.239 426 A C 1.605 179.178 177.584 -0.019 0.000 1.230 426 A CA 0.833 52.853 52.037 -0.028 0.000 0.928 426 A CB -0.231 18.762 19.000 -0.012 0.000 1.006 426 A HN 0.605 nan 8.150 nan 0.000 0.520 427 T N -2.496 112.054 114.554 -0.008 0.000 2.962 427 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 427 T C 1.503 176.205 174.700 0.004 0.000 1.088 427 T CA 1.187 63.287 62.100 0.000 0.000 1.127 427 T CB -0.366 68.504 68.868 0.003 0.000 0.883 427 T HN 0.181 nan 8.240 nan 0.000 0.493 428 M N 0.297 119.900 119.600 0.006 0.000 2.561 428 M HA 0.406 4.886 4.480 -0.000 0.000 0.238 428 M C 1.881 178.196 176.300 0.024 0.000 1.131 428 M CA -0.131 55.180 55.300 0.019 0.000 1.046 428 M CB -0.889 31.738 32.600 0.045 0.000 1.532 428 M HN 0.334 nan 8.290 nan 0.000 0.497 429 I N 0.553 121.121 120.570 -0.004 0.000 2.335 429 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 429 I C 2.269 178.405 176.117 0.031 0.000 1.129 429 I CA 1.082 62.365 61.300 -0.029 0.000 1.402 429 I CB -0.424 37.474 38.000 -0.169 0.000 1.069 429 I HN 0.220 nan 8.210 nan 0.000 0.424 430 A N 0.666 123.503 122.820 0.028 0.000 2.216 430 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 430 A C 2.304 179.901 177.584 0.022 0.000 1.160 430 A CA 1.612 53.679 52.037 0.050 0.000 0.725 430 A CB -0.978 18.047 19.000 0.041 0.000 0.784 430 A HN 0.553 nan 8.150 nan 0.000 0.472 431 T N -2.399 112.136 114.554 -0.032 0.000 2.867 431 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 431 T C 1.683 176.320 174.700 -0.104 0.000 1.057 431 T CA 1.928 63.971 62.100 -0.095 0.000 1.136 431 T CB -0.328 68.419 68.868 -0.202 0.000 0.874 431 T HN 0.789 nan 8.240 nan 0.000 0.466 432 S N -0.965 114.707 115.700 -0.047 0.000 2.628 432 S HA 0.374 4.844 4.470 -0.000 0.000 0.246 432 S C 0.164 174.888 174.600 0.207 0.000 1.062 432 S CA -0.874 57.358 58.200 0.053 0.000 1.028 432 S CB -0.070 63.217 63.200 0.145 0.000 0.985 432 S HN 0.544 nan 8.310 nan 0.000 0.551 433 F N 2.683 122.671 119.950 0.062 0.000 2.824 433 F HA 0.364 4.891 4.527 -0.000 0.000 0.368 433 F C -2.446 173.420 175.800 0.109 0.000 1.398 433 F CA -2.005 56.061 58.000 0.110 0.000 1.142 433 F CB 1.545 40.644 39.000 0.165 0.000 1.997 433 F HN -0.018 nan 8.300 nan 0.000 0.598 434 P HA -0.188 nan 4.420 nan 0.000 0.219 434 P C 0.632 178.044 177.300 0.187 0.000 1.146 434 P CA 1.446 64.659 63.100 0.188 0.000 0.808 434 P CB 0.281 32.061 31.700 0.133 0.000 0.779 435 E N -1.531 118.857 120.200 0.313 0.000 2.482 435 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 435 E C 1.490 178.114 176.600 0.040 0.000 1.047 435 E CA 0.020 56.562 56.400 0.236 0.000 0.869 435 E CB -1.019 28.895 29.700 0.355 0.000 0.836 435 E HN 0.192 nan 8.360 nan 0.000 0.520 436 F N 1.272 120.924 119.950 -0.496 0.000 2.043 436 F HA -0.353 4.174 4.527 -0.000 0.000 0.297 436 F C 1.854 177.400 175.800 -0.423 0.000 1.118 436 F CA 1.686 59.092 58.000 -0.990 0.000 1.202 436 F CB -0.063 38.301 39.000 -1.059 0.000 0.965 436 F HN 0.028 nan 8.300 nan 0.000 0.482 437 M N 0.145 119.639 119.600 -0.176 0.000 2.086 437 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 437 M C 1.914 178.084 176.300 -0.216 0.000 1.067 437 M CA 1.706 56.884 55.300 -0.203 0.000 1.116 437 M CB -1.441 31.145 32.600 -0.023 0.000 1.348 437 M HN 0.167 nan 8.290 nan 0.000 0.407 438 D N 0.383 120.709 120.400 -0.123 0.000 2.117 438 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 438 D C 2.171 178.410 176.300 -0.102 0.000 0.982 438 D CA 0.830 54.781 54.000 -0.081 0.000 0.828 438 D CB -0.341 40.447 40.800 -0.020 0.000 0.967 438 D HN 0.301 nan 8.370 nan 0.000 0.464 439 L N 0.131 121.283 121.223 -0.118 0.000 2.017 439 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 439 L C 2.211 178.982 176.870 -0.164 0.000 1.073 439 L CA 1.134 55.926 54.840 -0.080 0.000 0.745 439 L CB -0.091 41.989 42.059 0.034 0.000 0.894 439 L HN -0.059 nan 8.230 nan 0.000 0.432 440 M N -0.463 118.924 119.600 -0.355 0.000 2.159 440 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 440 M C 2.497 178.668 176.300 -0.215 0.000 1.063 440 M CA 1.726 56.813 55.300 -0.355 0.000 1.110 440 M CB -1.602 30.605 32.600 -0.655 0.000 1.374 440 M HN 0.453 nan 8.290 nan 0.000 0.411 441 A N 0.413 123.116 122.820 -0.194 0.000 1.902 441 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 441 A C 2.452 179.988 177.584 -0.081 0.000 1.181 441 A CA 1.934 53.901 52.037 -0.117 0.000 0.623 441 A CB -1.455 17.488 19.000 -0.095 0.000 0.818 441 A HN 0.512 nan 8.150 nan 0.000 0.443 442 G N -0.313 108.443 108.800 -0.073 0.000 2.432 442 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 442 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 442 G C 1.406 176.281 174.900 -0.041 0.000 1.135 442 G CA 0.986 46.059 45.100 -0.045 0.000 0.767 442 G HN 0.457 nan 8.290 nan 0.000 0.550 443 L N -0.133 121.058 121.223 -0.053 0.000 2.478 443 L HA 0.245 4.585 4.340 -0.000 0.000 0.223 443 L C 2.118 178.962 176.870 -0.044 0.000 1.140 443 L CA 0.642 55.456 54.840 -0.043 0.000 0.842 443 L CB 0.124 42.156 42.059 -0.046 0.000 0.953 443 L HN 0.424 nan 8.230 nan 0.000 0.452 444 G N -0.738 108.031 108.800 -0.052 0.000 2.229 444 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.189 444 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.189 444 G C 0.396 175.264 174.900 -0.052 0.000 1.000 444 G CA -0.206 44.867 45.100 -0.045 0.000 0.663 444 G HN 0.401 nan 8.290 nan 0.000 0.493 445 A N 0.509 123.285 122.820 -0.072 0.000 2.498 445 A HA 0.564 4.884 4.320 -0.000 0.000 0.239 445 A C 0.470 178.015 177.584 -0.064 0.000 1.068 445 A CA 0.602 52.594 52.037 -0.075 0.000 0.766 445 A CB 0.234 19.164 19.000 -0.116 0.000 1.003 445 A HN 0.352 nan 8.150 nan 0.000 0.497 446 K N 2.297 122.671 120.400 -0.043 0.000 2.347 446 K HA 0.510 4.830 4.320 -0.000 0.000 0.262 446 K C -1.332 175.256 176.600 -0.019 0.000 1.052 446 K CA 0.235 56.504 56.287 -0.030 0.000 0.946 446 K CB 0.943 33.433 32.500 -0.018 0.000 1.220 446 K HN 0.615 nan 8.250 nan 0.000 0.450 447 I N 2.193 122.749 120.570 -0.024 0.000 2.439 447 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 447 I C -0.347 175.770 176.117 0.001 0.000 1.021 447 I CA -0.688 60.610 61.300 -0.002 0.000 1.091 447 I CB 1.927 39.926 38.000 -0.001 0.000 1.242 447 I HN 0.536 nan 8.210 nan 0.000 0.439 448 E N 6.577 126.783 120.200 0.010 0.000 2.134 448 E HA 0.368 4.718 4.350 -0.000 0.000 0.278 448 E C -1.408 175.199 176.600 0.012 0.000 0.959 448 E CA -0.829 55.575 56.400 0.008 0.000 0.783 448 E CB 1.518 31.222 29.700 0.007 0.000 1.095 448 E HN 0.405 nan 8.360 nan 0.000 0.399 449 L N 3.836 125.064 121.223 0.010 0.000 2.350 449 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 449 L C -0.057 176.817 176.870 0.006 0.000 1.099 449 L CA 0.260 55.106 54.840 0.011 0.000 0.808 449 L CB 1.455 43.520 42.059 0.011 0.000 1.149 449 L HN 0.571 nan 8.230 nan 0.000 0.442 450 S N 0.000 115.703 115.700 0.005 0.000 2.498 450 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 450 S CA 0.000 58.201 58.200 0.002 0.000 1.107 450 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 450 S HN 0.000 nan 8.310 nan 0.000 0.517