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 2yxz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLKDLGERA LLARLAPLGY PPEAPLPPGD DAGGVWAEGR AWLLKTDGFL DATA SEQUENCE YREVALKGMG PFEVGFRGVA ATASDLLAKM GRPLGFTLGL FLPEDLEEGF DATA SEQUENCE VLELVRGAAE AAKRLGAFLL GGDTNRGVEV ALTVSGYALA EAPLPRKALP DATA SEQUENCE GDLLYLAGDR WGRTGAAIRA HYEGRSLEGF PKIREAAFYP LPRLELLALS DATA SEQUENCE GLLRGSLDSS DGLAETLWQL ADLGVGVEVE ALPLYPDVLA FAGSEEAALE DATA SEQUENCE LVLYGGEEFE AVLVVPQEGA AAVEARAKAK GLPLFRAGRV VAGEGVYLRG DATA SEQUENCE APLPR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 R N 3.654 124.153 120.500 -0.002 0.000 2.594 2 R HA 0.290 4.630 4.340 -0.000 0.000 0.272 2 R C 0.910 177.208 176.300 -0.002 0.000 1.074 2 R CA -0.270 55.829 56.100 -0.003 0.000 1.105 2 R CB 0.257 30.555 30.300 -0.003 0.000 1.008 2 R HN 0.882 nan 8.270 nan 0.000 0.472 3 L N 1.896 123.117 121.223 -0.002 0.000 2.081 3 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 3 L C 2.346 179.215 176.870 -0.001 0.000 1.080 3 L CA 1.655 56.495 54.840 -0.001 0.000 0.754 3 L CB -0.414 41.644 42.059 -0.001 0.000 0.893 3 L HN 0.575 nan 8.230 nan 0.000 0.433 4 K N 0.055 120.453 120.400 -0.002 0.000 2.034 4 K HA -0.223 4.096 4.320 -0.000 0.000 0.214 4 K C 1.664 178.261 176.600 -0.004 0.000 1.051 4 K CA 1.974 58.259 56.287 -0.003 0.000 0.931 4 K CB -0.216 32.282 32.500 -0.003 0.000 0.715 4 K HN 0.429 nan 8.250 nan 0.000 0.446 5 D N 0.679 121.076 120.400 -0.005 0.000 2.234 5 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 5 D C 1.965 178.261 176.300 -0.006 0.000 0.962 5 D CA 0.398 54.394 54.000 -0.006 0.000 0.855 5 D CB -0.001 40.795 40.800 -0.006 0.000 0.951 5 D HN 0.152 nan 8.370 nan 0.000 0.500 6 L N 0.390 121.611 121.223 -0.004 0.000 2.005 6 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 6 L C 0.908 177.775 176.870 -0.004 0.000 1.072 6 L CA 1.447 56.285 54.840 -0.004 0.000 0.744 6 L CB -0.384 41.675 42.059 -0.001 0.000 0.895 6 L HN 0.174 nan 8.230 nan 0.000 0.433 7 G N -0.699 108.100 108.800 -0.003 0.000 2.692 7 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.686 7 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.686 7 G C 0.117 175.018 174.900 0.002 0.000 1.243 7 G CA 0.079 45.178 45.100 -0.003 0.000 0.782 7 G HN 0.383 nan 8.290 nan 0.000 0.625 8 E N 0.578 120.781 120.200 0.005 0.000 2.072 8 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 8 E C 3.041 179.647 176.600 0.010 0.000 0.985 8 E CA 2.069 58.476 56.400 0.011 0.000 0.801 8 E CB -0.158 29.551 29.700 0.016 0.000 0.750 8 E HN 0.973 nan 8.360 nan 0.000 0.452 9 R N 0.737 121.241 120.500 0.006 0.000 2.083 9 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 9 R C 2.363 178.666 176.300 0.005 0.000 1.137 9 R CA 1.874 57.977 56.100 0.006 0.000 0.951 9 R CB -1.667 28.634 30.300 0.001 0.000 0.851 9 R HN 0.364 nan 8.270 nan 0.000 0.434 10 A N 0.558 123.378 122.820 0.001 0.000 1.902 10 A HA 0.055 4.374 4.320 -0.000 0.000 0.217 10 A C 2.426 180.013 177.584 0.004 0.000 1.181 10 A CA 1.639 53.676 52.037 0.001 0.000 0.623 10 A CB -0.457 18.542 19.000 -0.002 0.000 0.818 10 A HN 0.578 nan 8.150 nan 0.000 0.443 11 L N -0.217 121.009 121.223 0.006 0.000 2.017 11 L HA -0.095 4.244 4.340 -0.000 0.000 0.208 11 L C 2.263 179.139 176.870 0.011 0.000 1.073 11 L CA 1.689 56.535 54.840 0.009 0.000 0.745 11 L CB -0.502 41.563 42.059 0.009 0.000 0.894 11 L HN 0.395 nan 8.230 nan 0.000 0.432 12 L N -0.581 120.650 121.223 0.012 0.000 2.083 12 L HA -0.183 4.156 4.340 -0.000 0.000 0.209 12 L C 2.652 179.526 176.870 0.007 0.000 1.083 12 L CA 1.178 56.026 54.840 0.014 0.000 0.752 12 L CB -0.883 41.186 42.059 0.017 0.000 0.899 12 L HN 0.412 nan 8.230 nan 0.000 0.433 13 A N 0.354 123.176 122.820 0.004 0.000 1.969 13 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 13 A C 2.667 180.251 177.584 0.000 0.000 1.169 13 A CA 1.931 53.967 52.037 -0.001 0.000 0.635 13 A CB -0.689 18.311 19.000 0.001 0.000 0.810 13 A HN 0.411 nan 8.150 nan 0.000 0.445 14 R N -0.082 120.422 120.500 0.006 0.000 2.115 14 R HA 0.232 4.572 4.340 -0.000 0.000 0.226 14 R C 1.976 178.284 176.300 0.013 0.000 1.100 14 R CA 1.472 57.577 56.100 0.009 0.000 0.980 14 R CB -1.282 29.024 30.300 0.010 0.000 0.875 14 R HN 0.578 nan 8.270 nan 0.000 0.445 15 L N -0.264 120.968 121.223 0.015 0.000 2.375 15 L HA 0.190 4.530 4.340 -0.000 0.000 0.215 15 L C 3.121 180.007 176.870 0.026 0.000 1.108 15 L CA 0.691 55.545 54.840 0.024 0.000 0.830 15 L CB -0.407 41.668 42.059 0.026 0.000 0.959 15 L HN 0.437 nan 8.230 nan 0.000 0.457 16 A N 1.709 124.532 122.820 0.005 0.000 1.903 16 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 16 A C 0.153 177.721 177.584 -0.027 0.000 1.191 16 A CA 2.186 54.207 52.037 -0.026 0.000 0.638 16 A CB -1.817 17.143 19.000 -0.066 0.000 0.823 16 A HN 0.344 nan 8.150 nan 0.000 0.451 17 P HA 0.102 nan 4.420 nan 0.000 0.240 17 P C 0.016 177.383 177.300 0.112 0.000 1.190 17 P CA 0.275 63.402 63.100 0.045 0.000 0.781 17 P CB -0.215 31.501 31.700 0.026 0.000 0.931 18 L N 0.629 121.904 121.223 0.087 0.000 2.562 18 L HA 0.193 4.533 4.340 -0.000 0.000 0.271 18 L C 1.635 178.570 176.870 0.109 0.000 1.167 18 L CA 0.785 55.675 54.840 0.084 0.000 0.917 18 L CB -1.049 41.045 42.059 0.059 0.000 1.187 18 L HN 0.188 nan 8.230 nan 0.000 0.482 19 G N 2.378 111.235 108.800 0.095 0.000 2.168 19 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.263 19 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.263 19 G C 0.039 174.991 174.900 0.086 0.000 0.977 19 G CA -0.115 45.031 45.100 0.076 0.000 0.659 19 G HN 0.601 nan 8.290 nan 0.000 0.533 20 Y N 2.868 123.185 120.300 0.027 0.000 2.411 20 Y HA 0.465 5.015 4.550 -0.000 0.000 0.333 20 Y C -1.178 174.743 175.900 0.035 0.000 1.186 20 Y CA -1.427 56.691 58.100 0.030 0.000 1.381 20 Y CB 0.823 39.301 38.460 0.030 0.000 1.273 20 Y HN 0.139 nan 8.280 nan 0.000 0.546 21 P HA 0.085 nan 4.420 nan 0.000 0.271 21 P C -2.340 174.953 177.300 -0.011 0.000 1.220 21 P CA -1.195 61.779 63.100 -0.210 0.000 0.768 21 P CB 1.167 32.699 31.700 -0.280 0.000 0.848 22 P HA -0.101 nan 4.420 nan 0.000 0.218 22 P C 0.667 178.038 177.300 0.119 0.000 1.149 22 P CA 1.619 64.782 63.100 0.105 0.000 0.817 22 P CB 0.039 31.785 31.700 0.075 0.000 0.785 23 E N 0.084 120.350 120.200 0.110 0.000 2.989 23 E HA 0.594 4.944 4.350 -0.000 0.000 0.224 23 E C 0.148 176.886 176.600 0.230 0.000 1.175 23 E CA -0.585 55.910 56.400 0.159 0.000 1.300 23 E CB -0.117 29.662 29.700 0.133 0.000 1.422 23 E HN 0.433 nan 8.360 nan 0.000 0.439 24 A N 1.657 124.594 122.820 0.195 0.000 2.279 24 A HA 0.736 5.056 4.320 -0.000 0.000 0.303 24 A C -1.368 176.310 177.584 0.157 0.000 1.108 24 A CA -1.242 50.872 52.037 0.129 0.000 0.830 24 A CB 0.901 19.949 19.000 0.081 0.000 1.106 24 A HN 0.275 nan 8.150 nan 0.000 0.493 25 P HA 0.095 nan 4.420 nan 0.000 0.237 25 P C -0.346 176.935 177.300 -0.031 0.000 1.178 25 P CA 0.896 63.853 63.100 -0.239 0.000 0.766 25 P CB 0.041 31.097 31.700 -1.073 0.000 0.876 26 L N 0.463 121.716 121.223 0.050 0.000 2.445 26 L HA 0.477 4.817 4.340 -0.000 0.000 0.262 26 L C -2.585 174.393 176.870 0.180 0.000 0.974 26 L CA -2.573 52.324 54.840 0.096 0.000 0.822 26 L CB 2.987 45.087 42.059 0.070 0.000 1.339 26 L HN -0.295 nan 8.230 nan 0.000 0.409 27 P HA 0.286 nan 4.420 nan 0.000 0.274 27 P C -2.769 174.361 177.300 -0.282 0.000 1.256 27 P CA -1.603 61.495 63.100 -0.004 0.000 0.795 27 P CB -0.080 31.615 31.700 -0.007 0.000 1.038 28 P HA 0.141 nan 4.420 nan 0.000 0.271 28 P C 0.858 177.938 177.300 -0.366 0.000 1.218 28 P CA 0.939 63.524 63.100 -0.857 0.000 0.780 28 P CB -0.092 31.239 31.700 -0.615 0.000 0.901 29 G N 0.460 109.090 108.800 -0.283 0.000 2.148 29 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.254 29 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.254 29 G C 0.318 175.179 174.900 -0.065 0.000 0.981 29 G CA 0.053 45.081 45.100 -0.120 0.000 0.670 29 G HN 0.582 nan 8.290 nan 0.000 0.528 30 D N -0.287 120.071 120.400 -0.070 0.000 2.447 30 D HA 0.246 4.885 4.640 -0.000 0.000 0.265 30 D C 1.305 177.618 176.300 0.022 0.000 1.250 30 D CA -0.393 53.599 54.000 -0.012 0.000 1.046 30 D CB 0.406 41.204 40.800 -0.003 0.000 1.095 30 D HN 0.040 nan 8.370 nan 0.000 0.555 31 D N -0.677 119.748 120.400 0.042 0.000 2.263 31 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 31 D C 0.195 176.542 176.300 0.077 0.000 0.971 31 D CA 0.709 54.749 54.000 0.067 0.000 0.867 31 D CB 0.451 41.296 40.800 0.075 0.000 0.929 31 D HN 0.307 nan 8.370 nan 0.000 0.492 32 A N -0.448 122.413 122.820 0.068 0.000 2.588 32 A HA 0.652 4.972 4.320 -0.000 0.000 0.290 32 A C -0.317 177.330 177.584 0.106 0.000 1.136 32 A CA -0.222 51.864 52.037 0.081 0.000 0.681 32 A CB 1.621 20.658 19.000 0.062 0.000 1.282 32 A HN 0.095 nan 8.150 nan 0.000 0.421 33 G N -1.752 107.131 108.800 0.139 0.000 2.685 33 G HA2 0.878 4.838 3.960 -0.000 0.000 0.298 33 G HA3 0.878 4.838 3.960 -0.000 0.000 0.298 33 G C -0.178 174.782 174.900 0.100 0.000 1.277 33 G CA -0.339 44.904 45.100 0.238 0.000 0.986 33 G HN 2.004 nan 8.290 nan 0.000 0.487 34 G N -2.161 106.655 108.800 0.028 0.000 2.349 34 G HA2 0.676 4.636 3.960 -0.000 0.000 0.294 34 G HA3 0.676 4.636 3.960 -0.000 0.000 0.294 34 G C -1.285 173.528 174.900 -0.144 0.000 1.380 34 G CA 0.374 45.438 45.100 -0.060 0.000 0.811 34 G HN 1.866 nan 8.290 nan 0.000 0.519 35 V N -3.718 116.125 119.914 -0.118 0.000 3.078 35 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 35 V C -1.282 174.763 176.094 -0.081 0.000 1.138 35 V CA -1.595 60.650 62.300 -0.092 0.000 1.007 35 V CB 1.915 33.731 31.823 -0.010 0.000 1.045 35 V HN 0.837 nan 8.190 nan 0.000 0.432 36 W N 1.499 122.840 121.300 0.069 0.000 2.322 36 W HA 0.775 5.435 4.660 -0.000 0.000 0.307 36 W C 0.262 176.841 176.519 0.100 0.000 1.220 36 W CA 0.149 57.547 57.345 0.090 0.000 1.210 36 W CB 1.654 31.146 29.460 0.054 0.000 1.223 36 W HN 1.009 nan 8.180 nan 0.000 0.511 37 A N 3.193 126.265 122.820 0.420 0.000 2.385 37 A HA 0.431 4.751 4.320 -0.000 0.000 0.290 37 A C -0.140 177.606 177.584 0.271 0.000 1.094 37 A CA -0.669 51.522 52.037 0.256 0.000 0.729 37 A CB 0.620 19.683 19.000 0.105 0.000 1.194 37 A HN 0.794 nan 8.150 nan 0.000 0.442 38 E N 1.576 121.878 120.200 0.170 0.000 2.199 38 E HA -0.289 4.061 4.350 -0.000 0.000 0.208 38 E C 1.097 177.805 176.600 0.179 0.000 1.310 38 E CA 1.176 57.658 56.400 0.136 0.000 0.709 38 E CB -1.555 28.202 29.700 0.095 0.000 1.127 38 E HN 2.263 nan 8.360 nan 0.000 0.354 39 G N -0.393 108.527 108.800 0.201 0.000 2.205 39 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.261 39 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.261 39 G C 0.185 175.295 174.900 0.350 0.000 0.980 39 G CA 0.581 45.796 45.100 0.192 0.000 0.632 39 G HN 0.212 nan 8.290 nan 0.000 0.533 40 R N 0.038 120.796 120.500 0.431 0.000 2.803 40 R HA 0.776 5.116 4.340 -0.000 0.000 0.276 40 R C -0.005 176.424 176.300 0.214 0.000 0.978 40 R CA -0.238 56.048 56.100 0.309 0.000 0.939 40 R CB 1.491 31.863 30.300 0.121 0.000 1.179 40 R HN 0.703 nan 8.270 nan 0.000 0.472 41 A N 2.292 124.955 122.820 -0.263 0.000 2.316 41 A HA 0.349 4.668 4.320 -0.000 0.000 0.311 41 A C -1.028 176.278 177.584 -0.464 0.000 1.339 41 A CA -0.462 51.180 52.037 -0.658 0.000 0.960 41 A CB -0.171 18.234 19.000 -0.991 0.000 1.152 41 A HN 0.581 nan 8.150 nan 0.000 0.547 42 W N 3.413 124.573 121.300 -0.235 0.000 2.358 42 W HA 0.506 5.166 4.660 -0.000 0.000 0.307 42 W C -0.180 176.254 176.519 -0.141 0.000 1.203 42 W CA -0.045 57.204 57.345 -0.159 0.000 1.279 42 W CB 0.871 30.265 29.460 -0.110 0.000 1.264 42 W HN 0.445 nan 8.180 nan 0.000 0.474 43 L N 4.958 126.162 121.223 -0.030 0.000 2.334 43 L HA 0.668 5.008 4.340 -0.000 0.000 0.275 43 L C -0.555 176.377 176.870 0.104 0.000 1.036 43 L CA -1.364 53.477 54.840 0.002 0.000 0.807 43 L CB 1.115 43.134 42.059 -0.066 0.000 1.231 43 L HN 0.185 nan 8.230 nan 0.000 0.438 44 L N 3.117 124.399 121.223 0.099 0.000 2.431 44 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 44 L C -1.005 175.922 176.870 0.095 0.000 0.978 44 L CA -0.365 54.545 54.840 0.117 0.000 0.822 44 L CB 1.827 43.955 42.059 0.114 0.000 1.310 44 L HN 0.525 nan 8.230 nan 0.000 0.409 45 K N 1.898 122.353 120.400 0.092 0.000 2.525 45 K HA 0.783 5.103 4.320 -0.000 0.000 0.254 45 K C -1.646 175.010 176.600 0.093 0.000 0.934 45 K CA -0.216 56.129 56.287 0.096 0.000 0.802 45 K CB 2.164 34.728 32.500 0.106 0.000 1.295 45 K HN 0.591 nan 8.250 nan 0.000 0.433 46 T N 3.102 117.707 114.554 0.086 0.000 2.812 46 T HA 0.475 4.825 4.350 -0.000 0.000 0.282 46 T C -1.502 173.246 174.700 0.081 0.000 0.990 46 T CA -0.701 61.442 62.100 0.072 0.000 0.960 46 T CB 0.911 69.811 68.868 0.054 0.000 0.948 46 T HN 0.442 nan 8.240 nan 0.000 0.438 47 D N 1.409 121.854 120.400 0.075 0.000 2.498 47 D HA 0.631 5.271 4.640 -0.000 0.000 0.247 47 D C -0.097 176.228 176.300 0.041 0.000 1.070 47 D CA -0.169 53.894 54.000 0.104 0.000 0.842 47 D CB 2.298 43.186 40.800 0.146 0.000 1.361 47 D HN 0.699 nan 8.370 nan 0.000 0.484 48 G N 0.379 109.212 108.800 0.056 0.000 2.630 48 G HA2 0.808 4.768 3.960 -0.000 0.000 0.296 48 G HA3 0.808 4.768 3.960 -0.000 0.000 0.296 48 G C -1.328 173.594 174.900 0.036 0.000 1.285 48 G CA -0.767 44.273 45.100 -0.100 0.000 0.958 48 G HN 0.364 nan 8.290 nan 0.000 0.479 49 F N -2.039 117.950 119.950 0.065 0.000 2.793 49 F HA 0.542 5.069 4.527 -0.000 0.000 0.316 49 F C -1.752 174.092 175.800 0.073 0.000 1.147 49 F CA -1.634 56.397 58.000 0.052 0.000 0.930 49 F CB 0.746 39.762 39.000 0.027 0.000 1.277 49 F HN 0.464 nan 8.300 nan 0.000 0.443 50 L N 3.102 124.538 121.223 0.354 0.000 2.292 50 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 50 L C 1.001 178.094 176.870 0.371 0.000 1.065 50 L CA -0.816 54.193 54.840 0.281 0.000 0.806 50 L CB 1.203 43.363 42.059 0.168 0.000 1.175 50 L HN 0.892 nan 8.230 nan 0.000 0.431 51 Y N 4.098 124.567 120.300 0.283 0.000 2.069 51 Y HA -0.352 4.198 4.550 -0.000 0.000 0.278 51 Y C 2.542 178.524 175.900 0.136 0.000 1.175 51 Y CA 2.323 60.578 58.100 0.257 0.000 1.134 51 Y CB 0.015 38.629 38.460 0.258 0.000 0.965 51 Y HN 0.624 nan 8.280 nan 0.000 0.498 52 R N 0.275 120.931 120.500 0.262 0.000 2.293 52 R HA -0.120 4.220 4.340 -0.000 0.000 0.219 52 R C 1.280 177.586 176.300 0.010 0.000 1.091 52 R CA 1.801 57.982 56.100 0.136 0.000 1.004 52 R CB -0.562 29.838 30.300 0.167 0.000 0.865 52 R HN 0.489 nan 8.270 nan 0.000 0.469 53 E N 0.859 121.057 120.200 -0.004 0.000 2.452 53 E HA -0.015 4.335 4.350 -0.000 0.000 0.197 53 E C 1.524 178.032 176.600 -0.154 0.000 1.022 53 E CA 0.678 57.054 56.400 -0.039 0.000 0.890 53 E CB 0.918 30.634 29.700 0.026 0.000 0.918 53 E HN 0.406 nan 8.360 nan 0.000 0.496 54 V N -2.635 117.115 119.914 -0.274 0.000 3.570 54 V HA 0.389 4.509 4.120 -0.000 0.000 0.257 54 V C 1.072 176.883 176.094 -0.471 0.000 1.272 54 V CA -0.073 61.981 62.300 -0.411 0.000 1.079 54 V CB 0.296 31.725 31.823 -0.657 0.000 0.829 54 V HN 0.040 nan 8.190 nan 0.000 0.454 55 A N 2.336 124.841 122.820 -0.526 0.000 2.544 55 A HA 0.611 4.931 4.320 -0.000 0.000 0.301 55 A C 0.132 177.472 177.584 -0.405 0.000 1.368 55 A CA -0.120 51.603 52.037 -0.523 0.000 1.045 55 A CB -0.819 17.790 19.000 -0.651 0.000 1.129 55 A HN 0.574 nan 8.150 nan 0.000 0.540 56 L N 1.574 122.527 121.223 -0.449 0.000 2.456 56 L HA 0.414 4.754 4.340 -0.000 0.000 0.257 56 L C 1.341 178.150 176.870 -0.101 0.000 1.162 56 L CA -0.634 53.925 54.840 -0.468 0.000 0.808 56 L CB 0.279 42.143 42.059 -0.326 0.000 1.136 56 L HN 0.705 nan 8.230 nan 0.000 0.466 57 K N 0.677 121.226 120.400 0.249 0.000 2.511 57 K HA 0.355 4.674 4.320 -0.000 0.000 0.280 57 K C 1.025 177.723 176.600 0.163 0.000 1.008 57 K CA 0.536 56.950 56.287 0.211 0.000 1.050 57 K CB -0.665 31.977 32.500 0.237 0.000 0.889 57 K HN 0.960 nan 8.250 nan 0.000 0.484 58 G N 0.805 109.669 108.800 0.106 0.000 2.234 58 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.235 58 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.235 58 G C 0.406 175.236 174.900 -0.116 0.000 0.997 58 G CA 0.346 45.537 45.100 0.152 0.000 0.623 58 G HN 0.729 nan 8.290 nan 0.000 0.514 59 M N 1.356 120.720 119.600 -0.395 0.000 2.233 59 M HA 0.552 5.032 4.480 -0.000 0.000 0.355 59 M C 0.953 177.118 176.300 -0.225 0.000 1.191 59 M CA 0.479 55.413 55.300 -0.611 0.000 1.101 59 M CB 1.483 33.614 32.600 -0.783 0.000 1.592 59 M HN 0.302 nan 8.290 nan 0.000 0.461 60 G N 1.740 110.458 108.800 -0.137 0.000 2.932 60 G HA2 0.556 4.516 3.960 -0.000 0.000 0.283 60 G HA3 0.556 4.516 3.960 -0.000 0.000 0.283 60 G C -2.252 172.679 174.900 0.052 0.000 1.336 60 G CA -1.052 44.069 45.100 0.036 0.000 1.056 60 G HN 0.425 nan 8.290 nan 0.000 0.522 61 P HA -0.173 nan 4.420 nan 0.000 0.218 61 P C 1.521 178.797 177.300 -0.039 0.000 1.148 61 P CA 0.905 63.928 63.100 -0.129 0.000 0.822 61 P CB 0.103 31.266 31.700 -0.894 0.000 0.784 62 F N 1.688 121.580 119.950 -0.096 0.000 2.095 62 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 62 F C 2.081 177.897 175.800 0.027 0.000 1.104 62 F CA 1.841 59.834 58.000 -0.012 0.000 1.232 62 F CB -0.472 38.541 39.000 0.021 0.000 0.987 62 F HN -0.173 nan 8.300 nan 0.000 0.475 63 E N -0.097 120.177 120.200 0.124 0.000 2.110 63 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 63 E C 2.324 178.830 176.600 -0.157 0.000 0.988 63 E CA 1.405 57.740 56.400 -0.108 0.000 0.804 63 E CB -0.734 28.703 29.700 -0.439 0.000 0.745 63 E HN 0.286 nan 8.360 nan 0.000 0.458 64 V N 0.421 120.236 119.914 -0.165 0.000 2.295 64 V HA -0.203 3.916 4.120 -0.000 0.000 0.246 64 V C 2.228 178.297 176.094 -0.042 0.000 1.049 64 V CA 2.046 64.241 62.300 -0.175 0.000 1.024 64 V CB -1.097 30.643 31.823 -0.138 0.000 0.648 64 V HN 0.435 nan 8.190 nan 0.000 0.447 65 G N -1.148 107.634 108.800 -0.030 0.000 2.418 65 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 65 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 65 G C 1.607 176.439 174.900 -0.113 0.000 1.158 65 G CA 0.917 45.986 45.100 -0.051 0.000 0.771 65 G HN 0.486 nan 8.290 nan 0.000 0.545 66 F N 1.331 121.101 119.950 -0.300 0.000 2.126 66 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 66 F C 2.921 178.584 175.800 -0.228 0.000 1.096 66 F CA 1.552 59.392 58.000 -0.267 0.000 1.255 66 F CB 0.056 38.956 39.000 -0.166 0.000 0.997 66 F HN -0.020 nan 8.300 nan 0.000 0.479 67 R N -0.118 120.413 120.500 0.052 0.000 2.115 67 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 67 R C 2.531 178.692 176.300 -0.232 0.000 1.111 67 R CA 0.943 56.978 56.100 -0.109 0.000 0.976 67 R CB -1.029 29.142 30.300 -0.215 0.000 0.870 67 R HN 0.472 nan 8.270 nan 0.000 0.445 68 G N 0.444 109.181 108.800 -0.104 0.000 2.421 68 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 68 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 68 G C 1.432 176.230 174.900 -0.170 0.000 1.171 68 G CA 0.660 45.819 45.100 0.099 0.000 0.775 68 G HN 0.124 nan 8.290 nan 0.000 0.543 69 V N 1.466 121.159 119.914 -0.368 0.000 2.358 69 V HA -0.080 4.040 4.120 -0.000 0.000 0.246 69 V C 3.327 179.024 176.094 -0.660 0.000 1.047 69 V CA 1.925 63.803 62.300 -0.703 0.000 1.035 69 V CB -0.759 30.509 31.823 -0.924 0.000 0.658 69 V HN 0.476 nan 8.190 nan 0.000 0.452 70 A N 0.062 122.545 122.820 -0.563 0.000 1.908 70 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 70 A C 2.432 179.726 177.584 -0.484 0.000 1.181 70 A CA 2.243 54.009 52.037 -0.453 0.000 0.627 70 A CB -0.814 17.998 19.000 -0.314 0.000 0.818 70 A HN 0.570 nan 8.150 nan 0.000 0.445 71 A N -1.056 121.364 122.820 -0.668 0.000 1.865 71 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 71 A C 2.336 179.623 177.584 -0.495 0.000 1.191 71 A CA 2.410 53.749 52.037 -1.163 0.000 0.623 71 A CB -1.400 16.987 19.000 -1.021 0.000 0.826 71 A HN 0.428 nan 8.150 nan 0.000 0.444 72 T N 0.235 114.655 114.554 -0.223 0.000 2.746 72 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 72 T C 2.182 176.950 174.700 0.113 0.000 1.039 72 T CA 1.585 63.696 62.100 0.018 0.000 1.142 72 T CB -0.439 68.501 68.868 0.120 0.000 0.866 72 T HN 0.600 nan 8.240 nan 0.000 0.444 73 A N 1.184 124.049 122.820 0.075 0.000 1.933 73 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 73 A C 2.602 180.231 177.584 0.075 0.000 1.175 73 A CA 1.815 53.954 52.037 0.171 0.000 0.628 73 A CB -0.778 18.282 19.000 0.100 0.000 0.814 73 A HN 0.434 nan 8.150 nan 0.000 0.444 74 S N 0.176 115.882 115.700 0.010 0.000 2.368 74 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 74 S C 1.623 176.303 174.600 0.134 0.000 1.030 74 S CA 1.373 59.620 58.200 0.078 0.000 0.999 74 S CB -0.391 62.892 63.200 0.138 0.000 0.844 74 S HN 0.599 nan 8.310 nan 0.000 0.459 75 D N 1.422 121.917 120.400 0.158 0.000 2.117 75 D HA -0.028 4.611 4.640 -0.000 0.000 0.197 75 D C 1.932 178.292 176.300 0.099 0.000 0.987 75 D CA 0.784 54.876 54.000 0.154 0.000 0.829 75 D CB -0.327 40.575 40.800 0.170 0.000 0.961 75 D HN 0.305 nan 8.370 nan 0.000 0.460 76 L N 0.271 121.547 121.223 0.088 0.000 2.046 76 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 76 L C 2.581 179.466 176.870 0.025 0.000 1.077 76 L CA 0.620 55.490 54.840 0.049 0.000 0.747 76 L CB -0.297 41.791 42.059 0.048 0.000 0.896 76 L HN 0.019 nan 8.230 nan 0.000 0.432 77 L N -0.562 120.686 121.223 0.041 0.000 2.141 77 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 77 L C 2.795 179.686 176.870 0.034 0.000 1.094 77 L CA 0.935 55.791 54.840 0.027 0.000 0.763 77 L CB -0.609 41.471 42.059 0.036 0.000 0.908 77 L HN 0.226 nan 8.230 nan 0.000 0.437 78 A N -0.517 122.338 122.820 0.057 0.000 2.019 78 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 78 A C 1.968 179.577 177.584 0.042 0.000 1.164 78 A CA 1.270 53.346 52.037 0.064 0.000 0.644 78 A CB -0.173 18.880 19.000 0.088 0.000 0.805 78 A HN 0.173 nan 8.150 nan 0.000 0.449 79 K N -0.939 119.476 120.400 0.026 0.000 2.458 79 K HA 0.198 4.518 4.320 -0.000 0.000 0.194 79 K C 0.058 176.644 176.600 -0.023 0.000 1.024 79 K CA -0.051 56.237 56.287 0.003 0.000 1.108 79 K CB 0.144 32.641 32.500 -0.005 0.000 0.846 79 K HN 0.410 nan 8.250 nan 0.000 0.518 80 M N -0.758 118.832 119.600 -0.018 0.000 2.732 80 M HA -0.126 4.353 4.480 -0.000 0.000 0.207 80 M C 0.266 176.521 176.300 -0.075 0.000 0.513 80 M CA 0.750 56.029 55.300 -0.035 0.000 0.652 80 M CB -2.546 30.038 32.600 -0.028 0.000 2.410 80 M HN 0.176 nan 8.290 nan 0.000 0.660 81 G N 0.647 109.397 108.800 -0.083 0.000 2.356 81 G HA2 0.577 4.537 3.960 -0.000 0.000 0.322 81 G HA3 0.577 4.537 3.960 -0.000 0.000 0.322 81 G C -0.058 174.768 174.900 -0.122 0.000 1.125 81 G CA -0.687 44.329 45.100 -0.140 0.000 0.885 81 G HN 0.372 nan 8.290 nan 0.000 0.467 82 R N 3.182 123.581 120.500 -0.170 0.000 2.205 82 R HA 0.292 4.632 4.340 -0.000 0.000 0.342 82 R C -2.409 173.799 176.300 -0.153 0.000 1.058 82 R CA -1.483 54.537 56.100 -0.134 0.000 0.904 82 R CB 0.688 30.905 30.300 -0.138 0.000 1.089 82 R HN 0.211 nan 8.270 nan 0.000 0.471 83 P HA -0.036 nan 4.420 nan 0.000 0.264 83 P C -0.145 177.073 177.300 -0.138 0.000 1.193 83 P CA 0.268 63.289 63.100 -0.133 0.000 0.763 83 P CB 0.702 32.398 31.700 -0.007 0.000 0.810 84 L N 1.681 122.822 121.223 -0.137 0.000 2.609 84 L HA 0.438 4.777 4.340 -0.000 0.000 0.230 84 L C 1.129 178.082 176.870 0.138 0.000 1.064 84 L CA 0.269 55.110 54.840 0.002 0.000 0.873 84 L CB 0.137 42.171 42.059 -0.040 0.000 1.139 84 L HN 0.518 nan 8.230 nan 0.000 0.490 85 G N -0.691 108.112 108.800 0.004 0.000 2.601 85 G HA2 0.544 4.504 3.960 -0.000 0.000 0.291 85 G HA3 0.544 4.504 3.960 -0.000 0.000 0.291 85 G C -1.939 172.598 174.900 -0.605 0.000 1.456 85 G CA -0.388 44.668 45.100 -0.074 0.000 0.804 85 G HN -0.184 nan 8.290 nan 0.000 0.499 86 F N -0.035 119.910 119.950 -0.008 0.000 2.599 86 F HA 0.786 5.313 4.527 -0.000 0.000 0.311 86 F C 0.446 176.188 175.800 -0.096 0.000 1.076 86 F CA -0.685 57.272 58.000 -0.071 0.000 0.937 86 F CB 3.017 41.980 39.000 -0.061 0.000 1.282 86 F HN 0.611 nan 8.300 nan 0.000 0.460 87 T N 0.118 114.713 114.554 0.069 0.000 2.900 87 T HA 0.806 5.156 4.350 -0.000 0.000 0.295 87 T C -1.361 173.336 174.700 -0.006 0.000 1.044 87 T CA -0.815 61.282 62.100 -0.005 0.000 0.995 87 T CB 1.824 70.648 68.868 -0.073 0.000 1.072 87 T HN 0.274 nan 8.240 nan 0.000 0.473 88 L N 1.691 122.893 121.223 -0.035 0.000 2.329 88 L HA 0.769 5.109 4.340 -0.000 0.000 0.279 88 L C 0.607 177.415 176.870 -0.104 0.000 1.014 88 L CA -0.423 54.378 54.840 -0.064 0.000 0.814 88 L CB 1.673 43.695 42.059 -0.061 0.000 1.257 88 L HN 1.110 nan 8.230 nan 0.000 0.424 89 G N 4.116 112.836 108.800 -0.134 0.000 2.468 89 G HA2 0.656 4.616 3.960 -0.000 0.000 0.315 89 G HA3 0.656 4.616 3.960 -0.000 0.000 0.315 89 G C -1.008 173.719 174.900 -0.288 0.000 1.203 89 G CA -0.340 44.631 45.100 -0.215 0.000 0.962 89 G HN 0.407 nan 8.290 nan 0.000 0.476 90 L N 1.773 122.774 121.223 -0.370 0.000 2.341 90 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 90 L C -1.043 175.528 176.870 -0.498 0.000 1.005 90 L CA -0.843 53.817 54.840 -0.300 0.000 0.818 90 L CB 2.151 44.131 42.059 -0.132 0.000 1.259 90 L HN 0.343 nan 8.230 nan 0.000 0.418 91 F N 3.975 123.918 119.950 -0.010 0.000 2.375 91 F HA 0.570 5.097 4.527 -0.000 0.000 0.361 91 F C -0.243 175.555 175.800 -0.004 0.000 1.117 91 F CA -0.400 57.595 58.000 -0.009 0.000 1.037 91 F CB 1.284 40.277 39.000 -0.013 0.000 1.192 91 F HN 0.164 nan 8.300 nan 0.000 0.452 92 L N 5.125 126.408 121.223 0.100 0.000 2.362 92 L HA 0.592 4.932 4.340 -0.000 0.000 0.275 92 L C -2.597 174.281 176.870 0.014 0.000 0.998 92 L CA -2.284 52.580 54.840 0.041 0.000 0.820 92 L CB 2.013 44.081 42.059 0.015 0.000 1.270 92 L HN 0.285 nan 8.230 nan 0.000 0.415 93 P HA 0.136 nan 4.420 nan 0.000 0.269 93 P C 0.726 178.000 177.300 -0.044 0.000 1.209 93 P CA 0.060 63.136 63.100 -0.041 0.000 0.776 93 P CB 0.769 32.419 31.700 -0.082 0.000 0.876 94 E N 1.826 122.010 120.200 -0.028 0.000 2.153 94 E HA -0.207 4.142 4.350 -0.000 0.000 0.194 94 E C 1.074 177.653 176.600 -0.034 0.000 0.988 94 E CA 1.613 57.999 56.400 -0.024 0.000 0.811 94 E CB -1.057 28.634 29.700 -0.014 0.000 0.746 94 E HN 0.515 nan 8.360 nan 0.000 0.466 95 D N -0.795 119.576 120.400 -0.048 0.000 2.328 95 D HA 0.123 4.763 4.640 -0.000 0.000 0.226 95 D C 0.285 176.538 176.300 -0.079 0.000 1.066 95 D CA -0.269 53.699 54.000 -0.053 0.000 0.861 95 D CB -0.055 40.715 40.800 -0.051 0.000 0.912 95 D HN 0.325 nan 8.370 nan 0.000 0.521 96 L N 1.778 122.937 121.223 -0.106 0.000 2.461 96 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 96 L C 0.574 177.398 176.870 -0.076 0.000 1.197 96 L CA 0.112 54.854 54.840 -0.163 0.000 0.836 96 L CB 0.582 42.513 42.059 -0.213 0.000 1.105 96 L HN -0.169 nan 8.230 nan 0.000 0.477 97 E N 3.262 123.430 120.200 -0.053 0.000 2.313 97 E HA 0.008 4.358 4.350 -0.000 0.000 0.276 97 E C 0.701 177.349 176.600 0.080 0.000 1.031 97 E CA 0.090 56.504 56.400 0.023 0.000 0.857 97 E CB 0.974 30.702 29.700 0.046 0.000 1.040 97 E HN 0.737 nan 8.360 nan 0.000 0.408 98 E N 2.391 122.628 120.200 0.062 0.000 2.204 98 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 98 E C 1.586 178.242 176.600 0.094 0.000 0.990 98 E CA 1.238 57.681 56.400 0.071 0.000 0.821 98 E CB -0.205 29.521 29.700 0.044 0.000 0.750 98 E HN 0.615 nan 8.360 nan 0.000 0.477 99 G N 0.633 109.491 108.800 0.097 0.000 2.422 99 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 99 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 99 G C 1.274 176.245 174.900 0.118 0.000 1.146 99 G CA 0.635 45.790 45.100 0.093 0.000 0.769 99 G HN 0.365 nan 8.290 nan 0.000 0.547 100 F N 1.303 121.255 119.950 0.005 0.000 2.095 100 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 100 F C 2.692 178.495 175.800 0.004 0.000 1.104 100 F CA 1.674 59.670 58.000 -0.007 0.000 1.232 100 F CB -0.142 38.824 39.000 -0.057 0.000 0.987 100 F HN 0.014 nan 8.300 nan 0.000 0.475 101 V N 0.442 120.491 119.914 0.224 0.000 2.358 101 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 101 V C 2.300 178.410 176.094 0.027 0.000 1.047 101 V CA 1.637 64.009 62.300 0.120 0.000 1.035 101 V CB -0.909 30.984 31.823 0.116 0.000 0.658 101 V HN 0.462 nan 8.190 nan 0.000 0.452 102 L N 0.364 121.611 121.223 0.041 0.000 2.042 102 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 102 L C 2.478 179.370 176.870 0.037 0.000 1.076 102 L CA 1.954 56.817 54.840 0.038 0.000 0.749 102 L CB -0.779 41.311 42.059 0.051 0.000 0.893 102 L HN 0.289 nan 8.230 nan 0.000 0.432 103 E N -0.158 120.051 120.200 0.015 0.000 2.077 103 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 103 E C 2.339 178.922 176.600 -0.028 0.000 0.989 103 E CA 1.625 58.060 56.400 0.059 0.000 0.800 103 E CB -0.443 29.248 29.700 -0.016 0.000 0.746 103 E HN 0.552 nan 8.360 nan 0.000 0.452 104 L N 0.583 121.721 121.223 -0.140 0.000 2.012 104 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 104 L C 2.582 179.388 176.870 -0.106 0.000 1.073 104 L CA 0.944 55.707 54.840 -0.129 0.000 0.748 104 L CB -0.433 41.572 42.059 -0.091 0.000 0.891 104 L HN 0.005 nan 8.230 nan 0.000 0.431 105 V N -0.555 119.321 119.914 -0.063 0.000 2.358 105 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 105 V C 2.522 178.574 176.094 -0.070 0.000 1.047 105 V CA 1.571 63.839 62.300 -0.054 0.000 1.035 105 V CB -0.612 31.201 31.823 -0.016 0.000 0.658 105 V HN 0.390 nan 8.190 nan 0.000 0.452 106 R N 0.158 120.639 120.500 -0.032 0.000 2.115 106 R HA -0.066 4.274 4.340 -0.000 0.000 0.230 106 R C 2.459 178.606 176.300 -0.254 0.000 1.111 106 R CA 1.268 57.376 56.100 0.014 0.000 0.976 106 R CB -0.700 29.735 30.300 0.224 0.000 0.870 106 R HN 0.597 nan 8.270 nan 0.000 0.445 107 G N 0.727 109.119 108.800 -0.680 0.000 2.421 107 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 107 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 107 G C 1.532 176.133 174.900 -0.498 0.000 1.171 107 G CA 0.815 45.150 45.100 -1.276 0.000 0.775 107 G HN 0.401 nan 8.290 nan 0.000 0.543 108 A N 1.193 123.814 122.820 -0.331 0.000 1.902 108 A HA 0.248 4.568 4.320 -0.000 0.000 0.217 108 A C 2.823 180.246 177.584 -0.269 0.000 1.181 108 A CA 2.344 54.204 52.037 -0.294 0.000 0.623 108 A CB -0.836 18.045 19.000 -0.198 0.000 0.818 108 A HN 0.830 nan 8.150 nan 0.000 0.443 109 A N -0.459 122.266 122.820 -0.158 0.000 1.933 109 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 109 A C 1.970 179.508 177.584 -0.077 0.000 1.175 109 A CA 2.165 54.160 52.037 -0.072 0.000 0.628 109 A CB -0.442 18.560 19.000 0.003 0.000 0.814 109 A HN 0.528 nan 8.150 nan 0.000 0.444 110 E N 0.375 120.537 120.200 -0.065 0.000 2.051 110 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 110 E C 2.049 178.601 176.600 -0.080 0.000 0.991 110 E CA 1.638 58.069 56.400 0.050 0.000 0.799 110 E CB -0.530 29.336 29.700 0.276 0.000 0.748 110 E HN 0.450 nan 8.360 nan 0.000 0.449 111 A N 0.817 123.373 122.820 -0.440 0.000 1.902 111 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 111 A C 2.452 179.740 177.584 -0.493 0.000 1.181 111 A CA 2.201 53.675 52.037 -0.939 0.000 0.623 111 A CB -1.069 16.985 19.000 -1.576 0.000 0.818 111 A HN 0.379 nan 8.150 nan 0.000 0.443 112 A N -0.171 122.421 122.820 -0.381 0.000 1.883 112 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 112 A C 2.149 179.643 177.584 -0.149 0.000 1.186 112 A CA 2.095 54.024 52.037 -0.180 0.000 0.624 112 A CB -0.512 18.472 19.000 -0.028 0.000 0.822 112 A HN 0.556 nan 8.150 nan 0.000 0.444 113 K N -0.426 119.889 120.400 -0.142 0.000 2.103 113 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 113 K C 2.183 178.721 176.600 -0.103 0.000 1.048 113 K CA 1.313 57.519 56.287 -0.134 0.000 0.930 113 K CB -0.180 32.291 32.500 -0.049 0.000 0.716 113 K HN 0.426 nan 8.250 nan 0.000 0.444 114 R N 0.214 120.670 120.500 -0.074 0.000 2.159 114 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 114 R C 1.879 178.146 176.300 -0.055 0.000 1.131 114 R CA 0.979 57.057 56.100 -0.037 0.000 0.982 114 R CB -0.154 30.149 30.300 0.006 0.000 0.868 114 R HN 0.282 nan 8.270 nan 0.000 0.453 115 L N -0.613 120.561 121.223 -0.081 0.000 2.607 115 L HA 0.215 4.555 4.340 -0.000 0.000 0.228 115 L C 1.047 177.866 176.870 -0.084 0.000 1.123 115 L CA 0.221 55.028 54.840 -0.055 0.000 0.890 115 L CB 0.366 42.421 42.059 -0.006 0.000 1.103 115 L HN 0.344 nan 8.230 nan 0.000 0.468 116 G N 0.429 109.140 108.800 -0.149 0.000 2.147 116 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 116 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 116 G C 0.246 174.904 174.900 -0.403 0.000 1.005 116 G CA 0.248 45.216 45.100 -0.221 0.000 0.713 116 G HN 0.519 nan 8.290 nan 0.000 0.515 117 A N -1.161 121.414 122.820 -0.408 0.000 2.373 117 A HA 1.028 5.347 4.320 -0.000 0.000 0.291 117 A C -0.417 176.731 177.584 -0.726 0.000 1.171 117 A CA -0.700 51.087 52.037 -0.416 0.000 0.922 117 A CB 1.149 20.168 19.000 0.032 0.000 1.400 117 A HN 0.759 nan 8.150 nan 0.000 0.474 118 F N -1.781 118.259 119.950 0.151 0.000 2.675 118 F HA 0.572 5.099 4.527 -0.000 0.000 0.324 118 F C -0.369 175.524 175.800 0.156 0.000 1.106 118 F CA -0.627 57.447 58.000 0.123 0.000 0.970 118 F CB 1.509 40.557 39.000 0.081 0.000 1.385 118 F HN 0.304 nan 8.300 nan 0.000 0.489 119 L N 2.346 123.755 121.223 0.310 0.000 2.295 119 L HA 0.426 4.766 4.340 -0.000 0.000 0.285 119 L C -0.059 176.892 176.870 0.135 0.000 1.035 119 L CA -0.430 54.523 54.840 0.189 0.000 0.806 119 L CB 1.407 43.531 42.059 0.109 0.000 1.214 119 L HN 0.595 nan 8.230 nan 0.000 0.426 120 L N 3.345 124.609 121.223 0.067 0.000 2.872 120 L HA 0.382 4.722 4.340 -0.000 0.000 0.245 120 L C 0.908 177.767 176.870 -0.020 0.000 1.211 120 L CA -0.031 54.815 54.840 0.009 0.000 1.013 120 L CB -0.147 41.883 42.059 -0.049 0.000 1.326 120 L HN 0.983 nan 8.230 nan 0.000 0.525 121 G N -0.129 108.668 108.800 -0.006 0.000 2.443 121 G HA2 0.199 4.159 3.960 -0.000 0.000 0.209 121 G HA3 0.199 4.159 3.960 -0.000 0.000 0.209 121 G C -0.096 174.783 174.900 -0.034 0.000 1.176 121 G CA -0.247 44.840 45.100 -0.022 0.000 1.074 121 G HN 0.657 nan 8.290 nan 0.000 0.577 122 G N -1.072 107.698 108.800 -0.050 0.000 2.403 122 G HA2 0.580 4.540 3.960 -0.000 0.000 0.223 122 G HA3 0.580 4.540 3.960 -0.000 0.000 0.223 122 G C -1.845 173.007 174.900 -0.079 0.000 1.287 122 G CA 1.038 46.098 45.100 -0.066 0.000 0.982 122 G HN 1.844 nan 8.290 nan 0.000 0.471 123 D N -0.801 119.534 120.400 -0.108 0.000 2.654 123 D HA 0.656 5.296 4.640 -0.000 0.000 0.231 123 D C -0.382 175.812 176.300 -0.176 0.000 1.239 123 D CA 0.576 54.500 54.000 -0.127 0.000 0.790 123 D CB 1.986 42.705 40.800 -0.135 0.000 1.480 123 D HN 0.877 nan 8.370 nan 0.000 0.442 124 T N 0.138 114.597 114.554 -0.158 0.000 2.876 124 T HA 0.772 5.122 4.350 -0.000 0.000 0.289 124 T C -0.727 173.869 174.700 -0.174 0.000 1.014 124 T CA -0.839 61.155 62.100 -0.176 0.000 0.986 124 T CB 1.421 70.231 68.868 -0.096 0.000 1.021 124 T HN 0.288 nan 8.240 nan 0.000 0.458 125 N N 0.137 118.711 118.700 -0.210 0.000 2.396 125 N HA 0.581 5.321 4.740 -0.000 0.000 0.275 125 N C -0.222 175.297 175.510 0.016 0.000 1.218 125 N CA -0.779 52.213 53.050 -0.097 0.000 0.812 125 N CB 2.220 40.642 38.487 -0.109 0.000 1.592 125 N HN 0.983 nan 8.380 nan 0.000 0.480 126 R N 0.056 120.592 120.500 0.061 0.000 2.643 126 R HA 0.638 4.978 4.340 -0.000 0.000 0.270 126 R C 0.588 176.983 176.300 0.158 0.000 1.061 126 R CA 0.355 56.501 56.100 0.077 0.000 1.107 126 R CB -0.286 30.043 30.300 0.048 0.000 0.999 126 R HN 0.741 nan 8.270 nan 0.000 0.460 127 G N -1.226 107.650 108.800 0.127 0.000 2.692 127 G HA2 0.450 4.409 3.960 -0.000 0.000 0.291 127 G HA3 0.450 4.409 3.960 -0.000 0.000 0.291 127 G C 0.378 175.307 174.900 0.048 0.000 1.423 127 G CA 0.103 45.280 45.100 0.129 0.000 0.843 127 G HN 0.627 nan 8.290 nan 0.000 0.486 128 V N -0.143 119.780 119.914 0.015 0.000 2.649 128 V HA 0.128 4.248 4.120 -0.000 0.000 0.248 128 V C 1.034 177.126 176.094 -0.003 0.000 1.054 128 V CA 2.051 64.350 62.300 -0.003 0.000 1.073 128 V CB -0.569 31.245 31.823 -0.015 0.000 0.699 128 V HN 0.789 nan 8.190 nan 0.000 0.463 129 E N -0.997 119.210 120.200 0.011 0.000 2.367 129 E HA 0.465 4.815 4.350 -0.000 0.000 0.273 129 E C -1.392 175.244 176.600 0.059 0.000 0.903 129 E CA -0.841 55.572 56.400 0.022 0.000 0.764 129 E CB 2.367 32.087 29.700 0.033 0.000 1.252 129 E HN -0.100 nan 8.360 nan 0.000 0.446 130 V N 1.050 120.998 119.914 0.057 0.000 2.450 130 V HA 0.410 4.530 4.120 -0.000 0.000 0.281 130 V C 0.055 176.280 176.094 0.219 0.000 1.019 130 V CA 0.519 62.888 62.300 0.115 0.000 1.062 130 V CB -0.092 31.760 31.823 0.048 0.000 0.979 130 V HN 0.745 nan 8.190 nan 0.000 0.477 131 A N 6.020 128.976 122.820 0.227 0.000 2.475 131 A HA 0.952 5.272 4.320 -0.000 0.000 0.301 131 A C -1.266 176.417 177.584 0.164 0.000 1.059 131 A CA -0.617 51.543 52.037 0.205 0.000 0.710 131 A CB 1.888 20.988 19.000 0.165 0.000 1.288 131 A HN 0.937 nan 8.150 nan 0.000 0.408 132 L N 1.095 122.267 121.223 -0.086 0.000 2.445 132 L HA 0.888 5.227 4.340 -0.000 0.000 0.262 132 L C -0.348 176.240 176.870 -0.469 0.000 0.974 132 L CA 0.211 54.891 54.840 -0.267 0.000 0.822 132 L CB 2.494 44.359 42.059 -0.323 0.000 1.339 132 L HN 0.996 nan 8.230 nan 0.000 0.409 133 T N 1.245 115.643 114.554 -0.260 0.000 2.861 133 T HA 0.816 5.166 4.350 -0.000 0.000 0.287 133 T C -0.990 173.619 174.700 -0.151 0.000 1.003 133 T CA -0.699 61.280 62.100 -0.201 0.000 0.977 133 T CB 1.551 70.388 68.868 -0.052 0.000 0.996 133 T HN 0.498 nan 8.240 nan 0.000 0.448 134 V N 2.947 122.800 119.914 -0.101 0.000 2.444 134 V HA 0.617 4.737 4.120 -0.000 0.000 0.294 134 V C -0.101 176.025 176.094 0.052 0.000 1.022 134 V CA -0.653 61.633 62.300 -0.024 0.000 0.850 134 V CB 1.688 33.493 31.823 -0.030 0.000 0.992 134 V HN 1.125 nan 8.190 nan 0.000 0.426 135 S N 2.574 118.320 115.700 0.077 0.000 2.578 135 S HA 0.935 5.405 4.470 -0.000 0.000 0.301 135 S C 0.177 174.856 174.600 0.132 0.000 1.091 135 S CA -0.520 57.729 58.200 0.081 0.000 1.032 135 S CB 2.040 65.246 63.200 0.011 0.000 1.064 135 S HN 1.124 nan 8.310 nan 0.000 0.508 136 G N 1.146 109.994 108.800 0.079 0.000 2.718 136 G HA2 0.648 4.608 3.960 -0.000 0.000 0.295 136 G HA3 0.648 4.608 3.960 -0.000 0.000 0.295 136 G C -1.570 173.312 174.900 -0.029 0.000 1.421 136 G CA -0.860 44.166 45.100 -0.124 0.000 0.902 136 G HN 0.722 nan 8.290 nan 0.000 0.501 137 Y N -0.890 119.280 120.300 -0.217 0.000 2.524 137 Y HA 0.858 5.408 4.550 -0.000 0.000 0.344 137 Y C -0.148 175.673 175.900 -0.132 0.000 1.012 137 Y CA -1.533 56.527 58.100 -0.067 0.000 1.068 137 Y CB 2.219 40.733 38.460 0.090 0.000 1.249 137 Y HN 0.854 nan 8.280 nan 0.000 0.468 138 A N 3.154 125.948 122.820 -0.043 0.000 2.572 138 A HA 0.582 4.902 4.320 -0.000 0.000 0.295 138 A C -2.190 175.025 177.584 -0.616 0.000 1.072 138 A CA -0.976 50.892 52.037 -0.282 0.000 0.691 138 A CB 2.084 20.976 19.000 -0.180 0.000 1.291 138 A HN 0.936 nan 8.150 nan 0.000 0.404 139 L N 1.985 122.737 121.223 -0.784 0.000 2.265 139 L HA 0.724 5.064 4.340 -0.000 0.000 0.289 139 L C 0.111 176.636 176.870 -0.575 0.000 1.033 139 L CA -0.388 53.804 54.840 -1.080 0.000 0.814 139 L CB 0.999 42.433 42.059 -1.041 0.000 1.203 139 L HN 0.883 nan 8.230 nan 0.000 0.423 140 A N 3.071 125.581 122.820 -0.517 0.000 2.287 140 A HA 0.604 4.924 4.320 -0.000 0.000 0.317 140 A C 0.498 177.954 177.584 -0.213 0.000 1.220 140 A CA 0.147 52.003 52.037 -0.301 0.000 0.835 140 A CB 1.374 20.213 19.000 -0.268 0.000 1.180 140 A HN 0.906 nan 8.150 nan 0.000 0.500 141 E N 1.650 121.780 120.200 -0.116 0.000 2.112 141 E HA 0.374 4.724 4.350 -0.000 0.000 0.190 141 E C 0.822 177.454 176.600 0.054 0.000 0.979 141 E CA 1.265 57.654 56.400 -0.020 0.000 0.814 141 E CB -0.035 29.654 29.700 -0.019 0.000 0.762 141 E HN 1.911 nan 8.360 nan 0.000 0.460 142 A N 1.559 124.390 122.820 0.018 0.000 2.943 142 A HA 0.546 4.866 4.320 -0.000 0.000 0.327 142 A C -2.800 174.793 177.584 0.016 0.000 1.141 142 A CA -1.199 50.875 52.037 0.062 0.000 0.773 142 A CB 0.596 19.625 19.000 0.049 0.000 1.143 142 A HN 0.153 nan 8.150 nan 0.000 0.463 143 P HA 0.054 nan 4.420 nan 0.000 0.262 143 P C -0.597 176.702 177.300 -0.002 0.000 1.182 143 P CA 0.172 63.230 63.100 -0.069 0.000 0.761 143 P CB 0.929 32.520 31.700 -0.182 0.000 0.795 144 L N 6.995 128.215 121.223 -0.005 0.000 2.283 144 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 144 L C -2.209 174.675 176.870 0.022 0.000 1.033 144 L CA -2.476 52.375 54.840 0.017 0.000 0.848 144 L CB 1.100 43.169 42.059 0.017 0.000 1.226 144 L HN 0.246 nan 8.230 nan 0.000 0.429 145 P HA 0.207 nan 4.420 nan 0.000 0.279 145 P C -0.976 176.344 177.300 0.033 0.000 1.276 145 P CA -0.661 62.459 63.100 0.034 0.000 0.801 145 P CB 0.815 32.542 31.700 0.045 0.000 1.127 146 R N 0.914 121.432 120.500 0.030 0.000 2.248 146 R HA 0.333 4.673 4.340 -0.000 0.000 0.337 146 R C 0.550 176.867 176.300 0.027 0.000 1.085 146 R CA 0.115 56.232 56.100 0.029 0.000 0.934 146 R CB 0.109 30.424 30.300 0.024 0.000 1.034 146 R HN 0.448 nan 8.270 nan 0.000 0.465 147 K N 1.356 121.773 120.400 0.028 0.000 2.551 147 K HA 0.697 5.017 4.320 -0.000 0.000 0.269 147 K C -2.005 174.609 176.600 0.023 0.000 0.949 147 K CA -0.704 55.599 56.287 0.027 0.000 0.849 147 K CB 2.250 34.769 32.500 0.032 0.000 1.411 147 K HN 0.576 nan 8.250 nan 0.000 0.432 148 A N 3.096 125.928 122.820 0.019 0.000 2.594 148 A HA 0.607 4.927 4.320 -0.000 0.000 0.296 148 A C -2.009 175.582 177.584 0.012 0.000 1.061 148 A CA -0.745 51.300 52.037 0.015 0.000 0.689 148 A CB 1.106 20.110 19.000 0.008 0.000 1.280 148 A HN 0.509 nan 8.150 nan 0.000 0.406 149 L N 1.517 122.747 121.223 0.011 0.000 2.386 149 L HA 0.496 4.836 4.340 -0.000 0.000 0.271 149 L C -2.572 174.300 176.870 0.005 0.000 0.993 149 L CA -2.318 52.527 54.840 0.009 0.000 0.819 149 L CB 2.614 44.680 42.059 0.011 0.000 1.294 149 L HN 0.399 nan 8.230 nan 0.000 0.414 150 P HA 0.064 nan 4.420 nan 0.000 0.261 150 P C 0.686 177.985 177.300 -0.002 0.000 1.183 150 P CA 0.941 64.039 63.100 -0.003 0.000 0.761 150 P CB 0.696 32.394 31.700 -0.003 0.000 0.785 151 G N 2.370 111.167 108.800 -0.005 0.000 2.391 151 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.204 151 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.204 151 G C -0.079 174.825 174.900 0.005 0.000 1.012 151 G CA -0.448 44.650 45.100 -0.003 0.000 0.651 151 G HN 0.490 nan 8.290 nan 0.000 0.494 152 D N 1.674 122.081 120.400 0.011 0.000 2.382 152 D HA 0.451 5.091 4.640 -0.000 0.000 0.240 152 D C 0.815 177.135 176.300 0.034 0.000 1.146 152 D CA 0.081 54.098 54.000 0.028 0.000 0.897 152 D CB 0.955 41.773 40.800 0.030 0.000 1.197 152 D HN 0.105 nan 8.370 nan 0.000 0.432 153 L N 1.136 122.406 121.223 0.079 0.000 2.399 153 L HA 0.406 4.746 4.340 -0.000 0.000 0.265 153 L C 0.360 177.301 176.870 0.118 0.000 1.089 153 L CA -0.497 54.392 54.840 0.080 0.000 0.802 153 L CB 0.438 42.598 42.059 0.168 0.000 1.180 153 L HN 0.211 nan 8.230 nan 0.000 0.454 154 L N 2.417 123.636 121.223 -0.007 0.000 2.313 154 L HA 0.444 4.783 4.340 -0.000 0.000 0.283 154 L C -1.073 175.752 176.870 -0.075 0.000 1.013 154 L CA -0.474 54.372 54.840 0.010 0.000 0.816 154 L CB 1.269 43.292 42.059 -0.060 0.000 1.236 154 L HN 0.423 nan 8.230 nan 0.000 0.419 155 Y N 3.182 123.469 120.300 -0.022 0.000 2.485 155 Y HA 0.560 5.109 4.550 -0.000 0.000 0.345 155 Y C -0.268 175.646 175.900 0.023 0.000 0.998 155 Y CA -0.801 57.302 58.100 0.004 0.000 1.059 155 Y CB 2.288 40.761 38.460 0.023 0.000 1.234 155 Y HN 0.318 nan 8.280 nan 0.000 0.461 156 L N 3.016 124.359 121.223 0.200 0.000 2.305 156 L HA 0.757 5.097 4.340 -0.000 0.000 0.284 156 L C -0.298 176.811 176.870 0.398 0.000 1.013 156 L CA -0.843 54.063 54.840 0.110 0.000 0.819 156 L CB 1.393 43.180 42.059 -0.454 0.000 1.227 156 L HN 0.692 nan 8.230 nan 0.000 0.417 157 A N 2.542 125.666 122.820 0.506 0.000 2.312 157 A HA 0.904 5.224 4.320 -0.000 0.000 0.328 157 A C 0.402 178.267 177.584 0.469 0.000 1.158 157 A CA 0.248 52.533 52.037 0.414 0.000 0.821 157 A CB 1.202 20.361 19.000 0.265 0.000 1.170 157 A HN 0.957 nan 8.150 nan 0.000 0.490 158 G N 1.116 110.097 108.800 0.302 0.000 2.757 158 G HA2 0.114 4.074 3.960 -0.000 0.000 0.638 158 G HA3 0.114 4.074 3.960 -0.000 0.000 0.638 158 G C -0.464 174.563 174.900 0.211 0.000 1.344 158 G CA 0.401 45.600 45.100 0.165 0.000 0.855 158 G HN 1.761 nan 8.290 nan 0.000 0.537 159 D N -2.052 118.362 120.400 0.022 0.000 2.673 159 D HA 0.236 4.876 4.640 -0.000 0.000 0.278 159 D C 1.267 177.492 176.300 -0.125 0.000 1.393 159 D CA -0.338 53.655 54.000 -0.013 0.000 0.805 159 D CB 0.186 40.844 40.800 -0.236 0.000 1.110 159 D HN 0.510 nan 8.370 nan 0.000 0.476 160 R N -0.323 120.034 120.500 -0.237 0.000 2.317 160 R HA 0.165 4.505 4.340 -0.000 0.000 0.208 160 R C -0.296 175.924 176.300 -0.134 0.000 0.914 160 R CA -0.350 55.623 56.100 -0.213 0.000 1.060 160 R CB 0.113 30.253 30.300 -0.266 0.000 1.015 160 R HN 0.186 nan 8.270 nan 0.000 0.498 161 W N 1.226 122.636 121.300 0.183 0.000 2.417 161 W HA 0.050 4.710 4.660 -0.000 0.000 0.332 161 W C 1.468 178.039 176.519 0.087 0.000 1.413 161 W CA 1.088 58.488 57.345 0.091 0.000 1.299 161 W CB 0.290 29.748 29.460 -0.004 0.000 1.304 161 W HN 0.327 nan 8.180 nan 0.000 0.565 162 G N 1.785 110.709 108.800 0.206 0.000 2.347 162 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.247 162 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.247 162 G C 1.479 176.410 174.900 0.052 0.000 1.037 162 G CA 0.576 45.740 45.100 0.106 0.000 0.622 162 G HN 0.541 nan 8.290 nan 0.000 0.521 163 R N 0.321 120.858 120.500 0.061 0.000 2.073 163 R HA 0.034 4.373 4.340 -0.000 0.000 0.229 163 R C 3.013 179.252 176.300 -0.102 0.000 1.120 163 R CA 2.057 58.133 56.100 -0.041 0.000 0.967 163 R CB -0.693 29.590 30.300 -0.029 0.000 0.862 163 R HN 0.636 nan 8.270 nan 0.000 0.436 164 T N -1.788 112.721 114.554 -0.074 0.000 2.867 164 T HA -0.045 4.304 4.350 -0.000 0.000 0.268 164 T C 2.107 176.765 174.700 -0.070 0.000 1.057 164 T CA 1.152 63.206 62.100 -0.077 0.000 1.136 164 T CB -0.418 68.408 68.868 -0.070 0.000 0.874 164 T HN 0.324 nan 8.240 nan 0.000 0.466 165 G N 1.227 109.999 108.800 -0.046 0.000 2.402 165 G HA2 0.118 4.077 3.960 -0.000 0.000 0.216 165 G HA3 0.118 4.077 3.960 -0.000 0.000 0.216 165 G C 1.896 176.767 174.900 -0.048 0.000 1.162 165 G CA 0.702 45.793 45.100 -0.015 0.000 0.777 165 G HN 0.710 nan 8.290 nan 0.000 0.539 166 A N 1.375 124.103 122.820 -0.154 0.000 1.877 166 A HA 0.229 4.549 4.320 -0.000 0.000 0.216 166 A C 2.840 180.147 177.584 -0.463 0.000 1.186 166 A CA 2.363 54.141 52.037 -0.431 0.000 0.620 166 A CB -0.931 17.586 19.000 -0.806 0.000 0.822 166 A HN 0.814 nan 8.150 nan 0.000 0.443 167 A N -0.141 122.486 122.820 -0.321 0.000 1.940 167 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 167 A C 2.121 179.680 177.584 -0.041 0.000 1.176 167 A CA 1.664 53.593 52.037 -0.180 0.000 0.631 167 A CB -0.624 18.311 19.000 -0.108 0.000 0.814 167 A HN 0.536 nan 8.150 nan 0.000 0.446 168 I N -1.474 119.080 120.570 -0.026 0.000 2.286 168 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 168 I C 2.639 178.820 176.117 0.106 0.000 1.104 168 I CA 1.553 62.875 61.300 0.038 0.000 1.397 168 I CB -0.298 37.709 38.000 0.011 0.000 1.072 168 I HN 0.310 nan 8.210 nan 0.000 0.417 169 R N 1.719 122.273 120.500 0.090 0.000 2.096 169 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 169 R C 2.270 178.685 176.300 0.192 0.000 1.127 169 R CA 1.728 57.916 56.100 0.147 0.000 0.968 169 R CB -0.425 30.000 30.300 0.207 0.000 0.861 169 R HN 0.344 nan 8.270 nan 0.000 0.440 170 A N -0.542 122.408 122.820 0.218 0.000 1.902 170 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 170 A C 2.072 179.752 177.584 0.160 0.000 1.181 170 A CA 1.865 54.052 52.037 0.251 0.000 0.623 170 A CB -0.937 18.167 19.000 0.173 0.000 0.818 170 A HN 0.683 nan 8.150 nan 0.000 0.443 171 H N -2.171 116.938 119.070 0.064 0.000 2.353 171 H HA -0.184 4.372 4.556 -0.000 0.000 0.300 171 H C 2.133 177.488 175.328 0.044 0.000 1.090 171 H CA 2.939 59.016 56.048 0.048 0.000 1.327 171 H CB -0.499 29.277 29.762 0.024 0.000 1.383 171 H HN 0.549 nan 8.280 nan 0.000 0.508 172 Y N 0.407 120.735 120.300 0.047 0.000 2.263 172 Y HA 0.072 4.621 4.550 -0.000 0.000 0.292 172 Y C 2.219 178.101 175.900 -0.030 0.000 1.130 172 Y CA 1.266 59.361 58.100 -0.007 0.000 1.179 172 Y CB -0.554 37.946 38.460 0.068 0.000 0.998 172 Y HN 0.469 nan 8.280 nan 0.000 0.532 173 E N -0.645 119.562 120.200 0.012 0.000 2.435 173 E HA 0.217 4.567 4.350 -0.000 0.000 0.195 173 E C 1.701 178.297 176.600 -0.006 0.000 1.029 173 E CA 0.340 56.745 56.400 0.008 0.000 0.865 173 E CB -0.030 29.688 29.700 0.030 0.000 0.833 173 E HN 0.787 nan 8.360 nan 0.000 0.510 174 G N 2.581 111.367 108.800 -0.023 0.000 2.160 174 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.244 174 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.244 174 G C 0.083 175.000 174.900 0.027 0.000 1.022 174 G CA 0.408 45.495 45.100 -0.022 0.000 0.741 174 G HN 0.220 nan 8.290 nan 0.000 0.508 175 R N 0.135 120.676 120.500 0.068 0.000 2.486 175 R HA 0.626 4.966 4.340 -0.000 0.000 0.286 175 R C 0.678 177.069 176.300 0.152 0.000 0.999 175 R CA 0.159 56.325 56.100 0.109 0.000 0.993 175 R CB 0.921 31.300 30.300 0.133 0.000 1.084 175 R HN 0.260 nan 8.270 nan 0.000 0.487 176 S N 2.648 118.442 115.700 0.157 0.000 2.592 176 S HA 0.188 4.658 4.470 -0.000 0.000 0.271 176 S C 0.777 175.528 174.600 0.252 0.000 1.326 176 S CA -0.557 57.742 58.200 0.166 0.000 1.024 176 S CB 0.624 63.901 63.200 0.129 0.000 0.921 176 S HN 0.651 nan 8.310 nan 0.000 0.527 177 L N 2.425 123.771 121.223 0.204 0.000 2.700 177 L HA 0.331 4.671 4.340 -0.000 0.000 0.234 177 L C 0.885 177.894 176.870 0.231 0.000 1.156 177 L CA 0.001 55.000 54.840 0.265 0.000 0.946 177 L CB -0.080 42.027 42.059 0.080 0.000 1.216 177 L HN 0.722 nan 8.230 nan 0.000 0.493 178 E N 0.815 121.103 120.200 0.146 0.000 2.351 178 E HA 0.204 4.553 4.350 -0.000 0.000 0.266 178 E C 1.049 177.605 176.600 -0.072 0.000 1.031 178 E CA 0.863 57.282 56.400 0.031 0.000 0.911 178 E CB 0.348 30.061 29.700 0.021 0.000 0.986 178 E HN 0.352 nan 8.360 nan 0.000 0.446 179 G N 4.108 112.793 108.800 -0.192 0.000 2.201 179 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.212 179 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.212 179 G C -0.070 174.396 174.900 -0.723 0.000 0.994 179 G CA -0.104 44.716 45.100 -0.467 0.000 0.644 179 G HN 0.500 nan 8.290 nan 0.000 0.508 180 F N 1.446 121.390 119.950 -0.010 0.000 2.564 180 F HA 0.380 4.906 4.527 -0.000 0.000 0.329 180 F C -0.822 174.922 175.800 -0.093 0.000 1.458 180 F CA -1.719 56.261 58.000 -0.033 0.000 1.117 180 F CB 1.442 40.426 39.000 -0.026 0.000 1.383 180 F HN -0.058 nan 8.300 nan 0.000 0.571 181 P HA -0.194 nan 4.420 nan 0.000 0.216 181 P C 1.125 178.388 177.300 -0.062 0.000 1.150 181 P CA 1.564 64.630 63.100 -0.055 0.000 0.837 181 P CB 0.415 32.078 31.700 -0.061 0.000 0.786 182 K N -0.598 119.786 120.400 -0.027 0.000 2.155 182 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 182 K C 2.328 178.887 176.600 -0.068 0.000 1.052 182 K CA 0.823 57.080 56.287 -0.049 0.000 0.948 182 K CB -0.328 32.143 32.500 -0.048 0.000 0.728 182 K HN 0.186 nan 8.250 nan 0.000 0.448 183 I N 0.567 121.105 120.570 -0.053 0.000 2.286 183 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 183 I C 2.634 178.657 176.117 -0.157 0.000 1.104 183 I CA 0.905 62.135 61.300 -0.117 0.000 1.397 183 I CB -0.119 37.767 38.000 -0.191 0.000 1.072 183 I HN 0.120 nan 8.210 nan 0.000 0.417 184 R N 1.137 121.522 120.500 -0.193 0.000 2.081 184 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 184 R C 2.245 178.305 176.300 -0.400 0.000 1.131 184 R CA 1.824 57.685 56.100 -0.399 0.000 0.960 184 R CB -0.163 29.833 30.300 -0.506 0.000 0.856 184 R HN 0.377 nan 8.270 nan 0.000 0.436 185 E N -0.104 119.970 120.200 -0.210 0.000 2.106 185 E HA -0.177 4.172 4.350 -0.000 0.000 0.192 185 E C 1.724 178.306 176.600 -0.029 0.000 0.984 185 E CA 1.103 57.463 56.400 -0.067 0.000 0.806 185 E CB -0.122 29.571 29.700 -0.011 0.000 0.750 185 E HN 0.460 nan 8.360 nan 0.000 0.458 186 A N 0.951 123.735 122.820 -0.059 0.000 1.978 186 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 186 A C 2.291 179.860 177.584 -0.024 0.000 1.170 186 A CA 1.869 53.879 52.037 -0.045 0.000 0.636 186 A CB -0.547 18.408 19.000 -0.075 0.000 0.810 186 A HN 0.438 nan 8.150 nan 0.000 0.448 187 A N -1.792 121.022 122.820 -0.009 0.000 1.956 187 A HA 0.340 4.660 4.320 -0.000 0.000 0.212 187 A C 1.794 179.427 177.584 0.082 0.000 1.188 187 A CA 0.892 52.958 52.037 0.049 0.000 0.675 187 A CB -0.382 18.681 19.000 0.104 0.000 0.845 187 A HN 0.370 nan 8.150 nan 0.000 0.455 188 F N -1.476 118.253 119.950 -0.367 0.000 2.187 188 F HA 0.108 4.635 4.527 -0.000 0.000 0.295 188 F C 0.460 175.627 175.800 -1.055 0.000 1.091 188 F CA 0.393 57.948 58.000 -0.741 0.000 1.308 188 F CB -0.435 38.000 39.000 -0.943 0.000 1.030 188 F HN 0.243 nan 8.300 nan 0.000 0.487 189 Y N 0.391 120.675 120.300 -0.027 0.000 2.470 189 Y HA 0.324 4.874 4.550 -0.000 0.000 0.352 189 Y C -2.387 173.548 175.900 0.059 0.000 0.967 189 Y CA -3.546 54.398 58.100 -0.260 0.000 1.121 189 Y CB -0.578 37.579 38.460 -0.505 0.000 1.149 189 Y HN -0.161 nan 8.280 nan 0.000 0.641 190 P HA -0.011 nan 4.420 nan 0.000 0.263 190 P C -0.083 177.339 177.300 0.204 0.000 1.276 190 P CA 0.093 63.279 63.100 0.142 0.000 0.986 190 P CB 0.973 32.714 31.700 0.069 0.000 1.105 191 L N 7.527 128.866 121.223 0.193 0.000 2.433 191 L HA 0.302 4.641 4.340 -0.000 0.000 0.275 191 L C -2.077 174.823 176.870 0.051 0.000 1.128 191 L CA -1.848 53.086 54.840 0.157 0.000 0.875 191 L CB -0.203 41.942 42.059 0.144 0.000 1.171 191 L HN 0.208 nan 8.230 nan 0.000 0.463 192 P HA 0.105 nan 4.420 nan 0.000 0.271 192 P C -1.119 176.186 177.300 0.009 0.000 1.216 192 P CA -0.180 62.915 63.100 -0.007 0.000 0.776 192 P CB 0.481 32.156 31.700 -0.043 0.000 0.881 193 R N 2.602 123.114 120.500 0.020 0.000 2.220 193 R HA 0.249 4.589 4.340 -0.000 0.000 0.340 193 R C 1.541 177.853 176.300 0.020 0.000 1.076 193 R CA -0.418 55.696 56.100 0.023 0.000 0.920 193 R CB 0.132 30.453 30.300 0.034 0.000 1.062 193 R HN 0.498 nan 8.270 nan 0.000 0.469 194 L N 2.119 123.349 121.223 0.012 0.000 2.191 194 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 194 L C 1.296 178.171 176.870 0.007 0.000 1.103 194 L CA 1.227 56.070 54.840 0.005 0.000 0.769 194 L CB -0.058 42.000 42.059 -0.002 0.000 0.908 194 L HN 0.607 nan 8.230 nan 0.000 0.438 195 E N 0.222 120.430 120.200 0.014 0.000 2.267 195 E HA -0.220 4.129 4.350 -0.000 0.000 0.197 195 E C 2.158 178.769 176.600 0.018 0.000 0.998 195 E CA 0.804 57.213 56.400 0.016 0.000 0.830 195 E CB -0.314 29.400 29.700 0.023 0.000 0.751 195 E HN 0.413 nan 8.360 nan 0.000 0.491 196 L N -0.012 121.225 121.223 0.025 0.000 2.129 196 L HA -0.216 4.123 4.340 -0.000 0.000 0.212 196 L C 1.943 178.820 176.870 0.012 0.000 1.087 196 L CA 0.951 55.808 54.840 0.029 0.000 0.757 196 L CB -0.326 41.755 42.059 0.038 0.000 0.896 196 L HN 0.241 nan 8.230 nan 0.000 0.434 197 L N -0.787 120.438 121.223 0.003 0.000 2.450 197 L HA -0.148 4.192 4.340 -0.000 0.000 0.224 197 L C 2.613 179.478 176.870 -0.009 0.000 1.149 197 L CA 0.522 55.357 54.840 -0.009 0.000 0.816 197 L CB -0.686 41.362 42.059 -0.019 0.000 0.932 197 L HN 0.243 nan 8.230 nan 0.000 0.449 198 A N 0.020 122.837 122.820 -0.004 0.000 2.067 198 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 198 A C 1.956 179.534 177.584 -0.010 0.000 1.158 198 A CA 0.942 52.975 52.037 -0.006 0.000 0.661 198 A CB -0.305 18.694 19.000 -0.001 0.000 0.801 198 A HN 0.448 nan 8.150 nan 0.000 0.452 199 L N -0.111 121.106 121.223 -0.011 0.000 2.653 199 L HA 0.132 4.472 4.340 -0.000 0.000 0.231 199 L C 1.008 177.870 176.870 -0.014 0.000 1.153 199 L CA -0.267 54.562 54.840 -0.018 0.000 0.933 199 L CB -0.020 42.025 42.059 -0.024 0.000 1.175 199 L HN 0.283 nan 8.230 nan 0.000 0.473 200 S N 0.514 116.207 115.700 -0.011 0.000 2.546 200 S HA 0.249 4.719 4.470 -0.000 0.000 0.290 200 S C 1.403 176.001 174.600 -0.004 0.000 1.290 200 S CA 0.861 59.056 58.200 -0.009 0.000 1.069 200 S CB 0.399 63.590 63.200 -0.014 0.000 0.846 200 S HN 0.690 nan 8.310 nan 0.000 0.495 201 G N 3.596 112.399 108.800 0.004 0.000 2.179 201 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 201 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 201 G C 0.550 175.452 174.900 0.004 0.000 0.977 201 G CA 0.513 45.619 45.100 0.010 0.000 0.641 201 G HN 0.712 nan 8.290 nan 0.000 0.533 202 L N -0.164 121.056 121.223 -0.006 0.000 2.556 202 L HA 0.443 4.783 4.340 -0.000 0.000 0.226 202 L C 1.330 178.189 176.870 -0.018 0.000 1.089 202 L CA 0.055 54.885 54.840 -0.015 0.000 0.864 202 L CB -0.000 42.041 42.059 -0.029 0.000 1.067 202 L HN 0.152 nan 8.230 nan 0.000 0.477 203 L N -0.745 120.472 121.223 -0.010 0.000 2.387 203 L HA 0.344 4.684 4.340 -0.000 0.000 0.266 203 L C 1.211 178.087 176.870 0.010 0.000 1.059 203 L CA -0.445 54.391 54.840 -0.006 0.000 0.801 203 L CB 1.288 43.344 42.059 -0.003 0.000 1.223 203 L HN -0.114 nan 8.230 nan 0.000 0.456 204 R N 0.521 121.030 120.500 0.016 0.000 2.080 204 R HA 0.247 4.587 4.340 -0.000 0.000 0.222 204 R C 0.377 176.694 176.300 0.029 0.000 1.107 204 R CA 1.006 57.119 56.100 0.023 0.000 0.980 204 R CB 0.250 30.564 30.300 0.023 0.000 0.879 204 R HN 0.866 nan 8.270 nan 0.000 0.439 205 G N -1.785 107.033 108.800 0.031 0.000 2.495 205 G HA2 0.437 4.397 3.960 -0.000 0.000 0.294 205 G HA3 0.437 4.397 3.960 -0.000 0.000 0.294 205 G C -1.554 173.370 174.900 0.041 0.000 1.397 205 G CA -0.148 44.972 45.100 0.035 0.000 0.790 205 G HN 0.345 nan 8.290 nan 0.000 0.486 206 S N -1.647 114.080 115.700 0.045 0.000 2.587 206 S HA 0.798 5.267 4.470 -0.000 0.000 0.269 206 S C -2.012 172.624 174.600 0.060 0.000 1.154 206 S CA -0.800 57.435 58.200 0.059 0.000 0.824 206 S CB 1.801 65.040 63.200 0.064 0.000 1.118 206 S HN 1.063 nan 8.310 nan 0.000 0.462 207 L N 1.543 122.812 121.223 0.076 0.000 2.464 207 L HA 0.580 4.919 4.340 -0.000 0.000 0.266 207 L C -1.186 175.745 176.870 0.101 0.000 0.965 207 L CA -0.238 54.648 54.840 0.075 0.000 0.833 207 L CB 1.994 44.091 42.059 0.063 0.000 1.296 207 L HN 0.864 nan 8.230 nan 0.000 0.405 208 D N 0.720 121.174 120.400 0.090 0.000 2.264 208 D HA 0.278 4.918 4.640 -0.000 0.000 0.250 208 D C -0.287 176.037 176.300 0.041 0.000 1.113 208 D CA 0.201 54.257 54.000 0.094 0.000 0.871 208 D CB 1.449 42.319 40.800 0.116 0.000 1.167 208 D HN 0.353 nan 8.370 nan 0.000 0.447 209 S N 2.047 117.769 115.700 0.036 0.000 2.409 209 S HA 0.269 4.739 4.470 -0.000 0.000 0.308 209 S C 0.762 175.183 174.600 -0.298 0.000 1.080 209 S CA -0.299 57.889 58.200 -0.020 0.000 1.081 209 S CB -0.136 63.193 63.200 0.215 0.000 1.009 209 S HN 0.447 nan 8.310 nan 0.000 0.502 210 S N 2.584 118.041 115.700 -0.406 0.000 2.559 210 S HA 0.258 4.728 4.470 -0.000 0.000 0.226 210 S C 0.215 174.572 174.600 -0.404 0.000 1.030 210 S CA -0.381 57.334 58.200 -0.807 0.000 0.956 210 S CB 0.194 62.724 63.200 -1.116 0.000 0.900 210 S HN 0.656 nan 8.310 nan 0.000 0.510 211 D N 1.806 122.091 120.400 -0.190 0.000 2.538 211 D HA 0.419 5.059 4.640 -0.000 0.000 0.231 211 D C 0.568 176.854 176.300 -0.023 0.000 1.229 211 D CA 0.299 54.250 54.000 -0.082 0.000 0.828 211 D CB 0.722 41.501 40.800 -0.034 0.000 1.035 211 D HN 0.582 nan 8.370 nan 0.000 0.495 212 G N 1.235 110.019 108.800 -0.028 0.000 2.770 212 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 212 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 212 G C 0.183 175.110 174.900 0.045 0.000 1.180 212 G CA -0.651 44.461 45.100 0.021 0.000 0.767 212 G HN 0.105 nan 8.290 nan 0.000 0.646 213 L N 2.207 123.466 121.223 0.060 0.000 2.056 213 L HA 0.287 4.627 4.340 -0.000 0.000 0.207 213 L C 2.966 179.815 176.870 -0.034 0.000 1.078 213 L CA 3.442 58.314 54.840 0.054 0.000 0.749 213 L CB -0.911 41.152 42.059 0.007 0.000 0.901 213 L HN 1.526 nan 8.230 nan 0.000 0.433 214 A N -0.513 122.238 122.820 -0.114 0.000 1.883 214 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 214 A C 2.255 179.955 177.584 0.193 0.000 1.186 214 A CA 1.784 53.800 52.037 -0.034 0.000 0.624 214 A CB -0.824 18.049 19.000 -0.212 0.000 0.822 214 A HN 0.558 nan 8.150 nan 0.000 0.444 215 E N -0.080 120.210 120.200 0.151 0.000 2.085 215 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 215 E C 1.935 178.631 176.600 0.160 0.000 0.994 215 E CA 2.220 58.725 56.400 0.174 0.000 0.801 215 E CB -0.743 29.018 29.700 0.101 0.000 0.743 215 E HN 0.511 nan 8.360 nan 0.000 0.453 216 T N 0.836 115.448 114.554 0.097 0.000 2.777 216 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 216 T C 1.850 176.579 174.700 0.047 0.000 1.040 216 T CA 1.265 63.409 62.100 0.073 0.000 1.141 216 T CB -0.258 68.654 68.868 0.073 0.000 0.868 216 T HN 0.132 nan 8.240 nan 0.000 0.444 217 L N -1.048 120.175 121.223 0.001 0.000 2.131 217 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 217 L C 2.349 179.117 176.870 -0.170 0.000 1.092 217 L CA 1.327 56.098 54.840 -0.116 0.000 0.759 217 L CB -0.474 41.462 42.059 -0.205 0.000 0.903 217 L HN 0.362 nan 8.230 nan 0.000 0.435 218 W N 0.098 121.379 121.300 -0.031 0.000 2.436 218 W HA -0.115 4.544 4.660 -0.000 0.000 0.284 218 W C 2.718 179.228 176.519 -0.014 0.000 1.225 218 W CA 0.599 57.929 57.345 -0.026 0.000 1.271 218 W CB -0.083 29.364 29.460 -0.021 0.000 1.114 218 W HN 0.138 nan 8.180 nan 0.000 0.559 219 Q N -0.304 119.606 119.800 0.183 0.000 2.167 219 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 219 Q C 2.146 178.183 176.000 0.061 0.000 0.970 219 Q CA 1.339 57.209 55.803 0.112 0.000 0.855 219 Q CB -0.453 28.334 28.738 0.082 0.000 0.911 219 Q HN 0.254 nan 8.270 nan 0.000 0.438 220 L N 0.398 121.634 121.223 0.022 0.000 2.005 220 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 220 L C 2.144 178.998 176.870 -0.028 0.000 1.072 220 L CA 2.125 56.959 54.840 -0.011 0.000 0.744 220 L CB -0.958 41.076 42.059 -0.041 0.000 0.895 220 L HN 0.097 nan 8.230 nan 0.000 0.433 221 A N -0.582 122.187 122.820 -0.084 0.000 1.917 221 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 221 A C 1.929 179.518 177.584 0.008 0.000 1.182 221 A CA 2.058 54.030 52.037 -0.108 0.000 0.633 221 A CB -1.096 17.709 19.000 -0.324 0.000 0.819 221 A HN 0.577 nan 8.150 nan 0.000 0.448 222 D N -0.169 120.279 120.400 0.081 0.000 2.354 222 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 222 D C 1.550 177.883 176.300 0.055 0.000 0.970 222 D CA 0.559 54.617 54.000 0.097 0.000 0.905 222 D CB -0.283 40.588 40.800 0.118 0.000 0.903 222 D HN 0.511 nan 8.370 nan 0.000 0.508 223 L N -0.855 120.389 121.223 0.034 0.000 2.465 223 L HA 0.077 4.417 4.340 -0.000 0.000 0.224 223 L C 1.305 178.189 176.870 0.023 0.000 1.145 223 L CA 0.700 55.555 54.840 0.025 0.000 0.834 223 L CB -0.079 41.991 42.059 0.017 0.000 0.944 223 L HN 0.165 nan 8.230 nan 0.000 0.451 224 G N 0.312 109.126 108.800 0.023 0.000 2.189 224 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.113 224 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.113 224 G C -0.229 174.679 174.900 0.013 0.000 1.038 224 G CA -0.144 44.970 45.100 0.023 0.000 0.704 224 G HN 0.181 nan 8.290 nan 0.000 0.490 225 V N -3.012 116.902 119.914 0.000 0.000 3.165 225 V HA 1.051 5.171 4.120 -0.000 0.000 0.309 225 V C 0.484 176.560 176.094 -0.031 0.000 1.267 225 V CA -0.398 61.896 62.300 -0.010 0.000 1.067 225 V CB 1.524 33.338 31.823 -0.015 0.000 1.082 225 V HN 1.445 nan 8.190 nan 0.000 0.451 226 G N -0.544 108.242 108.800 -0.023 0.000 2.417 226 G HA2 0.654 4.613 3.960 -0.000 0.000 0.334 226 G HA3 0.654 4.613 3.960 -0.000 0.000 0.334 226 G C -1.336 173.532 174.900 -0.054 0.000 1.150 226 G CA -0.806 44.281 45.100 -0.021 0.000 0.923 226 G HN 1.112 nan 8.290 nan 0.000 0.485 227 V N 1.319 121.176 119.914 -0.095 0.000 2.483 227 V HA 0.404 4.524 4.120 -0.000 0.000 0.297 227 V C -0.590 175.482 176.094 -0.035 0.000 1.027 227 V CA -0.722 61.508 62.300 -0.116 0.000 0.855 227 V CB 1.633 33.311 31.823 -0.241 0.000 0.995 227 V HN 0.814 nan 8.190 nan 0.000 0.424 228 E N 3.895 124.081 120.200 -0.023 0.000 2.186 228 E HA 0.453 4.803 4.350 -0.000 0.000 0.255 228 E C -1.236 175.339 176.600 -0.043 0.000 0.881 228 E CA -0.583 55.822 56.400 0.008 0.000 0.752 228 E CB 2.475 32.169 29.700 -0.011 0.000 1.176 228 E HN 0.419 nan 8.360 nan 0.000 0.421 229 V N 2.822 122.711 119.914 -0.042 0.000 2.406 229 V HA 0.189 4.309 4.120 -0.000 0.000 0.272 229 V C 1.166 177.233 176.094 -0.045 0.000 1.043 229 V CA 0.458 62.719 62.300 -0.066 0.000 0.915 229 V CB 0.861 32.636 31.823 -0.081 0.000 0.988 229 V HN 0.913 nan 8.190 nan 0.000 0.466 230 E N 3.471 123.634 120.200 -0.062 0.000 2.251 230 E HA 0.640 4.989 4.350 -0.000 0.000 0.194 230 E C 0.766 177.345 176.600 -0.034 0.000 0.964 230 E CA 0.881 57.248 56.400 -0.055 0.000 0.868 230 E CB 0.582 30.232 29.700 -0.083 0.000 0.828 230 E HN 1.098 nan 8.360 nan 0.000 0.481 231 A N -0.726 122.085 122.820 -0.014 0.000 2.594 231 A HA 0.778 5.098 4.320 -0.000 0.000 0.295 231 A C -1.334 176.371 177.584 0.202 0.000 1.071 231 A CA -0.470 51.614 52.037 0.080 0.000 0.685 231 A CB 1.276 20.323 19.000 0.077 0.000 1.285 231 A HN 0.313 nan 8.150 nan 0.000 0.405 232 L N 1.847 123.128 121.223 0.098 0.000 2.388 232 L HA 0.598 4.938 4.340 -0.000 0.000 0.264 232 L C -2.368 174.178 176.870 -0.540 0.000 0.998 232 L CA -2.067 52.651 54.840 -0.204 0.000 0.817 232 L CB 3.009 44.935 42.059 -0.221 0.000 1.338 232 L HN 0.562 nan 8.230 nan 0.000 0.414 233 P HA 0.235 nan 4.420 nan 0.000 0.282 233 P C -1.222 175.604 177.300 -0.791 0.000 1.262 233 P CA -0.129 62.279 63.100 -1.153 0.000 0.773 233 P CB 0.927 31.782 31.700 -1.409 0.000 0.879 234 L N 4.655 125.543 121.223 -0.559 0.000 2.417 234 L HA 0.326 4.666 4.340 -0.000 0.000 0.259 234 L C -0.074 176.646 176.870 -0.250 0.000 1.023 234 L CA -1.068 53.564 54.840 -0.348 0.000 0.901 234 L CB 0.293 42.259 42.059 -0.154 0.000 1.227 234 L HN 0.289 nan 8.230 nan 0.000 0.454 235 Y N 2.691 122.991 120.300 0.000 0.000 2.480 235 Y HA 0.072 4.622 4.550 -0.000 0.000 0.338 235 Y C -1.200 174.732 175.900 0.052 0.000 1.220 235 Y CA -1.839 56.278 58.100 0.028 0.000 1.430 235 Y CB -0.046 38.433 38.460 0.033 0.000 1.311 235 Y HN 0.368 nan 8.280 nan 0.000 0.575 236 P HA -0.202 nan 4.420 nan 0.000 0.216 236 P C 0.972 178.389 177.300 0.195 0.000 1.150 236 P CA 2.122 65.321 63.100 0.164 0.000 0.843 236 P CB 0.225 32.007 31.700 0.136 0.000 0.787 237 D N -1.072 119.466 120.400 0.229 0.000 2.183 237 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 237 D C 1.772 178.232 176.300 0.266 0.000 0.969 237 D CA 0.905 55.088 54.000 0.305 0.000 0.842 237 D CB -1.100 39.874 40.800 0.290 0.000 0.957 237 D HN 0.059 nan 8.370 nan 0.000 0.484 238 V N 0.973 121.007 119.914 0.202 0.000 2.453 238 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 238 V C 2.790 178.972 176.094 0.147 0.000 1.048 238 V CA 0.956 63.341 62.300 0.141 0.000 1.049 238 V CB -0.509 31.390 31.823 0.127 0.000 0.672 238 V HN 0.146 nan 8.190 nan 0.000 0.457 239 L N 0.141 121.443 121.223 0.131 0.000 2.027 239 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 239 L C 2.786 179.729 176.870 0.121 0.000 1.074 239 L CA 1.602 56.502 54.840 0.100 0.000 0.745 239 L CB -0.853 41.254 42.059 0.080 0.000 0.898 239 L HN 0.337 nan 8.230 nan 0.000 0.433 240 A N -0.015 122.918 122.820 0.188 0.000 1.883 240 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 240 A C 2.208 179.925 177.584 0.221 0.000 1.186 240 A CA 1.947 54.129 52.037 0.242 0.000 0.624 240 A CB -0.997 18.230 19.000 0.379 0.000 0.822 240 A HN 0.409 nan 8.150 nan 0.000 0.444 241 F N 0.899 120.833 119.950 -0.025 0.000 2.095 241 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 241 F C 2.527 178.232 175.800 -0.159 0.000 1.104 241 F CA 1.458 59.234 58.000 -0.374 0.000 1.232 241 F CB -0.468 38.065 39.000 -0.778 0.000 0.987 241 F HN 0.245 nan 8.300 nan 0.000 0.475 242 A N -0.456 122.342 122.820 -0.038 0.000 1.930 242 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 242 A C 2.205 179.719 177.584 -0.116 0.000 1.175 242 A CA 1.885 53.874 52.037 -0.080 0.000 0.627 242 A CB -1.422 17.610 19.000 0.053 0.000 0.815 242 A HN 1.108 nan 8.150 nan 0.000 0.443 243 G N -2.063 106.702 108.800 -0.057 0.000 2.254 243 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.225 243 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.225 243 G C 0.411 175.304 174.900 -0.011 0.000 1.003 243 G CA 0.753 45.828 45.100 -0.041 0.000 0.622 243 G HN 2.064 nan 8.290 nan 0.000 0.507 244 S N -1.379 114.319 115.700 -0.002 0.000 2.611 244 S HA 0.651 5.121 4.470 -0.000 0.000 0.268 244 S C 0.297 174.905 174.600 0.013 0.000 1.156 244 S CA 0.479 58.683 58.200 0.007 0.000 0.817 244 S CB 1.732 64.933 63.200 0.001 0.000 1.122 244 S HN 0.302 nan 8.310 nan 0.000 0.466 245 E N 0.421 120.628 120.200 0.013 0.000 2.106 245 E HA -0.098 4.251 4.350 -0.000 0.000 0.192 245 E C 2.179 178.786 176.600 0.011 0.000 0.984 245 E CA 1.648 58.054 56.400 0.010 0.000 0.806 245 E CB -0.409 29.296 29.700 0.007 0.000 0.750 245 E HN 0.820 nan 8.360 nan 0.000 0.458 246 E N 0.496 120.705 120.200 0.015 0.000 2.072 246 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 246 E C 1.882 178.501 176.600 0.032 0.000 0.985 246 E CA 1.275 57.688 56.400 0.023 0.000 0.801 246 E CB -0.750 28.962 29.700 0.020 0.000 0.750 246 E HN 0.443 nan 8.360 nan 0.000 0.452 247 A N 0.665 123.500 122.820 0.024 0.000 1.969 247 A HA 0.355 4.674 4.320 -0.000 0.000 0.218 247 A C 2.775 180.388 177.584 0.049 0.000 1.169 247 A CA 2.000 54.055 52.037 0.030 0.000 0.635 247 A CB -0.501 18.502 19.000 0.005 0.000 0.810 247 A HN 0.919 nan 8.150 nan 0.000 0.445 248 A N -0.147 122.697 122.820 0.040 0.000 1.930 248 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 248 A C 2.113 179.713 177.584 0.026 0.000 1.175 248 A CA 1.296 53.359 52.037 0.043 0.000 0.627 248 A CB -0.549 18.465 19.000 0.024 0.000 0.815 248 A HN 0.460 nan 8.150 nan 0.000 0.443 249 L N -0.774 120.460 121.223 0.019 0.000 2.042 249 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 249 L C 2.652 179.550 176.870 0.046 0.000 1.076 249 L CA 1.910 56.755 54.840 0.008 0.000 0.749 249 L CB -0.459 41.610 42.059 0.017 0.000 0.893 249 L HN 0.582 nan 8.230 nan 0.000 0.432 250 E N 0.457 120.726 120.200 0.114 0.000 2.106 250 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 250 E C 2.343 179.057 176.600 0.190 0.000 0.984 250 E CA 0.832 57.374 56.400 0.236 0.000 0.806 250 E CB 0.040 29.863 29.700 0.205 0.000 0.750 250 E HN 0.471 nan 8.360 nan 0.000 0.458 251 L N 0.105 121.398 121.223 0.117 0.000 2.093 251 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 251 L C 2.472 179.379 176.870 0.061 0.000 1.085 251 L CA 0.596 55.495 54.840 0.098 0.000 0.755 251 L CB -0.284 41.832 42.059 0.096 0.000 0.904 251 L HN 0.090 nan 8.230 nan 0.000 0.435 252 V N -0.020 119.910 119.914 0.027 0.000 2.427 252 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 252 V C 2.237 178.304 176.094 -0.046 0.000 1.051 252 V CA 1.498 63.803 62.300 0.008 0.000 1.048 252 V CB -0.172 31.613 31.823 -0.063 0.000 0.666 252 V HN 0.338 nan 8.190 nan 0.000 0.456 253 L N -1.784 119.338 121.223 -0.169 0.000 2.202 253 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 253 L C 1.103 177.607 176.870 -0.611 0.000 1.083 253 L CA 1.044 55.604 54.840 -0.467 0.000 0.790 253 L CB -0.058 41.546 42.059 -0.759 0.000 0.942 253 L HN 0.350 nan 8.230 nan 0.000 0.452 254 Y N -0.776 119.551 120.300 0.044 0.000 2.669 254 Y HA 0.369 4.918 4.550 -0.000 0.000 0.302 254 Y C 1.293 177.211 175.900 0.030 0.000 1.000 254 Y CA -0.430 57.691 58.100 0.036 0.000 1.222 254 Y CB -0.068 38.407 38.460 0.026 0.000 1.209 254 Y HN -0.092 nan 8.280 nan 0.000 0.571 255 G N 0.226 109.084 108.800 0.095 0.000 2.632 255 G HA2 0.459 4.419 3.960 -0.000 0.000 0.220 255 G HA3 0.459 4.419 3.960 -0.000 0.000 0.220 255 G C 0.531 175.451 174.900 0.033 0.000 1.439 255 G CA 0.454 45.593 45.100 0.065 0.000 0.934 255 G HN 0.676 nan 8.290 nan 0.000 0.536 256 G N -1.797 107.000 108.800 -0.005 0.000 2.484 256 G HA2 0.317 4.277 3.960 -0.000 0.000 0.685 256 G HA3 0.317 4.277 3.960 -0.000 0.000 0.685 256 G C -0.021 174.816 174.900 -0.104 0.000 1.294 256 G CA 0.186 45.253 45.100 -0.055 0.000 0.879 256 G HN 1.002 nan 8.290 nan 0.000 0.646 257 E N -0.993 119.087 120.200 -0.201 0.000 2.791 257 E HA -0.211 4.139 4.350 -0.000 0.000 0.271 257 E C 1.129 177.645 176.600 -0.139 0.000 1.044 257 E CA 1.730 58.014 56.400 -0.193 0.000 0.814 257 E CB -1.358 28.341 29.700 -0.002 0.000 1.400 257 E HN 0.796 nan 8.360 nan 0.000 0.423 258 E N -0.667 119.368 120.200 -0.275 0.000 2.107 258 E HA 0.027 4.377 4.350 -0.000 0.000 0.191 258 E C 0.540 177.020 176.600 -0.200 0.000 0.982 258 E CA 0.588 56.809 56.400 -0.297 0.000 0.809 258 E CB -0.164 29.212 29.700 -0.539 0.000 0.756 258 E HN 0.351 nan 8.360 nan 0.000 0.459 259 F N 0.746 120.575 119.950 -0.202 0.000 3.067 259 F HA -0.248 4.279 4.527 -0.000 0.000 0.279 259 F C -0.078 175.611 175.800 -0.185 0.000 0.945 259 F CA 0.671 58.587 58.000 -0.140 0.000 0.948 259 F CB -1.219 37.723 39.000 -0.097 0.000 0.898 259 F HN -0.032 nan 8.300 nan 0.000 0.746 260 E N -0.080 119.984 120.200 -0.227 0.000 2.277 260 E HA 0.820 5.170 4.350 -0.000 0.000 0.266 260 E C -0.080 176.557 176.600 0.062 0.000 0.901 260 E CA -0.554 55.703 56.400 -0.237 0.000 0.782 260 E CB 2.053 31.225 29.700 -0.879 0.000 1.228 260 E HN 0.131 nan 8.360 nan 0.000 0.424 261 A N 1.372 124.334 122.820 0.237 0.000 2.306 261 A HA 0.508 4.828 4.320 -0.000 0.000 0.314 261 A C -0.344 177.473 177.584 0.390 0.000 1.164 261 A CA -0.602 51.605 52.037 0.284 0.000 0.822 261 A CB 0.788 19.896 19.000 0.181 0.000 1.130 261 A HN 0.289 nan 8.150 nan 0.000 0.496 262 V N 3.584 123.662 119.914 0.273 0.000 2.383 262 V HA 0.311 4.430 4.120 -0.000 0.000 0.275 262 V C -0.187 175.989 176.094 0.136 0.000 1.036 262 V CA -0.075 62.327 62.300 0.170 0.000 0.889 262 V CB 0.721 32.600 31.823 0.094 0.000 0.985 262 V HN 0.690 nan 8.190 nan 0.000 0.459 263 L N 5.523 126.833 121.223 0.145 0.000 2.317 263 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 263 L C -0.452 176.491 176.870 0.122 0.000 1.024 263 L CA -0.877 54.035 54.840 0.121 0.000 0.810 263 L CB 1.938 44.064 42.059 0.111 0.000 1.240 263 L HN 0.302 nan 8.230 nan 0.000 0.427 264 V N 4.243 124.205 119.914 0.080 0.000 2.334 264 V HA 0.232 4.352 4.120 -0.000 0.000 0.267 264 V C 0.112 176.242 176.094 0.061 0.000 1.040 264 V CA -0.488 61.855 62.300 0.072 0.000 0.866 264 V CB 1.480 33.330 31.823 0.045 0.000 1.019 264 V HN 0.438 nan 8.190 nan 0.000 0.468 265 V N 8.473 128.443 119.914 0.094 0.000 2.347 265 V HA 0.352 4.472 4.120 -0.000 0.000 0.280 265 V C -1.974 174.150 176.094 0.050 0.000 1.021 265 V CA -1.993 60.331 62.300 0.040 0.000 0.847 265 V CB 1.764 33.569 31.823 -0.031 0.000 0.990 265 V HN 0.677 nan 8.190 nan 0.000 0.444 266 P HA 0.068 nan 4.420 nan 0.000 0.265 266 P C 0.493 177.808 177.300 0.024 0.000 1.193 266 P CA 0.144 63.257 63.100 0.021 0.000 0.765 266 P CB 0.980 32.686 31.700 0.010 0.000 0.823 267 Q N 2.087 121.904 119.800 0.028 0.000 2.152 267 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 267 Q C 2.414 178.424 176.000 0.017 0.000 0.985 267 Q CA 2.693 58.514 55.803 0.029 0.000 0.863 267 Q CB -0.535 28.214 28.738 0.019 0.000 0.904 267 Q HN 0.707 nan 8.270 nan 0.000 0.422 268 E N 0.510 120.715 120.200 0.009 0.000 2.035 268 E HA -0.178 4.172 4.350 -0.000 0.000 0.204 268 E C 1.825 178.424 176.600 -0.001 0.000 1.025 268 E CA 1.572 57.974 56.400 0.003 0.000 0.835 268 E CB -1.347 28.354 29.700 0.001 0.000 0.764 268 E HN 0.575 nan 8.360 nan 0.000 0.457 269 G N -0.873 107.922 108.800 -0.008 0.000 3.314 269 G HA2 0.397 4.357 3.960 -0.000 0.000 0.238 269 G HA3 0.397 4.357 3.960 -0.000 0.000 0.238 269 G C 1.471 176.348 174.900 -0.038 0.000 1.184 269 G CA 1.013 46.101 45.100 -0.021 0.000 0.806 269 G HN 0.789 nan 8.290 nan 0.000 0.536 270 A N 0.870 123.678 122.820 -0.022 0.000 1.978 270 A HA 0.197 4.517 4.320 -0.000 0.000 0.220 270 A C 2.694 180.259 177.584 -0.032 0.000 1.170 270 A CA 2.072 54.090 52.037 -0.031 0.000 0.636 270 A CB -0.376 18.669 19.000 0.075 0.000 0.810 270 A HN 0.643 nan 8.150 nan 0.000 0.448 271 A N -0.243 122.571 122.820 -0.009 0.000 1.898 271 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 271 A C 2.498 180.069 177.584 -0.022 0.000 1.181 271 A CA 1.860 53.894 52.037 -0.005 0.000 0.620 271 A CB -0.956 18.044 19.000 0.001 0.000 0.819 271 A HN 0.971 nan 8.150 nan 0.000 0.442 272 A N -0.466 122.335 122.820 -0.030 0.000 1.858 272 A HA -0.007 4.312 4.320 -0.000 0.000 0.216 272 A C 2.213 179.766 177.584 -0.052 0.000 1.190 272 A CA 1.747 53.764 52.037 -0.033 0.000 0.617 272 A CB -1.110 17.872 19.000 -0.029 0.000 0.827 272 A HN 0.388 nan 8.150 nan 0.000 0.443 273 V N 0.521 120.383 119.914 -0.087 0.000 2.324 273 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 273 V C 2.469 178.486 176.094 -0.128 0.000 1.060 273 V CA 2.490 64.712 62.300 -0.131 0.000 1.042 273 V CB -0.911 30.775 31.823 -0.228 0.000 0.650 273 V HN 0.654 nan 8.190 nan 0.000 0.450 274 E N -0.009 120.119 120.200 -0.120 0.000 2.077 274 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 274 E C 2.327 178.915 176.600 -0.019 0.000 0.989 274 E CA 1.284 57.650 56.400 -0.056 0.000 0.800 274 E CB -0.321 29.379 29.700 0.001 0.000 0.746 274 E HN 0.632 nan 8.360 nan 0.000 0.452 275 A N 1.707 124.515 122.820 -0.020 0.000 1.873 275 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 275 A C 2.140 179.718 177.584 -0.009 0.000 1.186 275 A CA 1.648 53.681 52.037 -0.008 0.000 0.616 275 A CB -0.410 18.585 19.000 -0.008 0.000 0.823 275 A HN 0.021 nan 8.150 nan 0.000 0.442 276 R N 0.278 120.766 120.500 -0.020 0.000 2.103 276 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 276 R C 2.236 178.530 176.300 -0.009 0.000 1.132 276 R CA 2.367 58.457 56.100 -0.017 0.000 0.925 276 R CB -1.169 29.115 30.300 -0.027 0.000 0.842 276 R HN 0.398 nan 8.270 nan 0.000 0.430 277 A N 0.651 123.462 122.820 -0.015 0.000 1.917 277 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 277 A C 2.096 179.692 177.584 0.020 0.000 1.182 277 A CA 2.319 54.359 52.037 0.004 0.000 0.633 277 A CB -0.716 18.287 19.000 0.005 0.000 0.819 277 A HN 0.419 nan 8.150 nan 0.000 0.448 278 K N 0.367 120.778 120.400 0.019 0.000 2.032 278 K HA -0.035 4.285 4.320 -0.000 0.000 0.209 278 K C 1.932 178.544 176.600 0.020 0.000 1.048 278 K CA 2.044 58.347 56.287 0.027 0.000 0.927 278 K CB -0.750 31.765 32.500 0.025 0.000 0.712 278 K HN 0.326 nan 8.250 nan 0.000 0.441 279 A N 0.570 123.398 122.820 0.012 0.000 1.972 279 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 279 A C 1.410 179.000 177.584 0.011 0.000 1.169 279 A CA 1.533 53.576 52.037 0.010 0.000 0.635 279 A CB -0.301 18.702 19.000 0.005 0.000 0.810 279 A HN 0.247 nan 8.150 nan 0.000 0.446 280 K N -1.058 119.349 120.400 0.011 0.000 2.397 280 K HA 0.231 4.551 4.320 -0.000 0.000 0.202 280 K C 0.877 177.488 176.600 0.018 0.000 1.022 280 K CA 0.534 56.828 56.287 0.012 0.000 1.141 280 K CB -0.217 32.288 32.500 0.008 0.000 0.857 280 K HN 0.715 nan 8.250 nan 0.000 0.514 281 G N 2.046 110.860 108.800 0.023 0.000 2.221 281 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.265 281 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.265 281 G C -0.318 174.604 174.900 0.037 0.000 1.041 281 G CA 0.154 45.271 45.100 0.028 0.000 0.807 281 G HN 0.298 nan 8.290 nan 0.000 0.502 282 L N 1.150 122.399 121.223 0.044 0.000 2.255 282 L HA 0.685 5.024 4.340 -0.000 0.000 0.289 282 L C -1.934 174.989 176.870 0.088 0.000 1.046 282 L CA -2.529 52.346 54.840 0.059 0.000 0.816 282 L CB 0.869 42.959 42.059 0.051 0.000 1.197 282 L HN -0.092 nan 8.230 nan 0.000 0.427 283 P HA 0.202 nan 4.420 nan 0.000 0.264 283 P C -1.340 176.087 177.300 0.211 0.000 1.193 283 P CA -0.002 63.191 63.100 0.155 0.000 0.763 283 P CB 0.712 32.504 31.700 0.154 0.000 0.810 284 L N 5.046 126.411 121.223 0.237 0.000 2.431 284 L HA 0.655 4.995 4.340 -0.000 0.000 0.266 284 L C -1.539 175.554 176.870 0.372 0.000 0.978 284 L CA -0.634 54.381 54.840 0.291 0.000 0.822 284 L CB 1.518 43.700 42.059 0.205 0.000 1.310 284 L HN 0.207 nan 8.230 nan 0.000 0.409 285 F N 4.093 124.171 119.950 0.215 0.000 2.536 285 F HA 0.536 5.063 4.527 -0.000 0.000 0.322 285 F C -0.241 175.515 175.800 -0.073 0.000 1.144 285 F CA -0.669 57.377 58.000 0.077 0.000 0.924 285 F CB 1.151 40.159 39.000 0.013 0.000 1.181 285 F HN 0.498 nan 8.300 nan 0.000 0.438 286 R N 4.711 124.766 120.500 -0.743 0.000 2.288 286 R HA 0.515 4.855 4.340 -0.000 0.000 0.330 286 R C 0.121 175.922 176.300 -0.833 0.000 1.069 286 R CA 0.667 56.139 56.100 -1.047 0.000 0.941 286 R CB 1.007 30.753 30.300 -0.923 0.000 0.998 286 R HN 0.913 nan 8.270 nan 0.000 0.452 287 A N 3.508 126.054 122.820 -0.456 0.000 1.942 287 A HA 0.342 4.662 4.320 -0.000 0.000 0.209 287 A C 0.901 178.366 177.584 -0.197 0.000 1.214 287 A CA 1.041 52.976 52.037 -0.170 0.000 0.686 287 A CB 0.315 19.277 19.000 -0.063 0.000 0.871 287 A HN 0.833 nan 8.150 nan 0.000 0.460 288 G N -2.335 106.324 108.800 -0.235 0.000 2.637 288 G HA2 0.623 4.582 3.960 -0.000 0.000 0.112 288 G HA3 0.623 4.582 3.960 -0.000 0.000 0.112 288 G C -0.738 174.073 174.900 -0.148 0.000 1.181 288 G CA 0.800 45.799 45.100 -0.169 0.000 1.150 288 G HN 1.173 nan 8.290 nan 0.000 0.561 289 R N -1.842 118.600 120.500 -0.096 0.000 2.728 289 R HA 0.776 5.115 4.340 -0.000 0.000 0.274 289 R C -1.408 174.863 176.300 -0.048 0.000 1.030 289 R CA 0.064 56.126 56.100 -0.063 0.000 0.876 289 R CB 0.595 30.861 30.300 -0.056 0.000 1.259 289 R HN 1.342 nan 8.270 nan 0.000 0.468 290 V N 1.430 121.325 119.914 -0.031 0.000 2.539 290 V HA 0.792 4.912 4.120 -0.000 0.000 0.292 290 V C 0.474 176.554 176.094 -0.023 0.000 1.045 290 V CA 0.058 62.342 62.300 -0.028 0.000 0.945 290 V CB 1.166 32.979 31.823 -0.016 0.000 0.993 290 V HN 1.335 nan 8.190 nan 0.000 0.464 291 V N 1.448 121.349 119.914 -0.021 0.000 3.160 291 V HA 1.005 5.125 4.120 -0.000 0.000 0.310 291 V C 0.048 176.137 176.094 -0.009 0.000 1.181 291 V CA -0.978 61.312 62.300 -0.017 0.000 1.047 291 V CB 1.673 33.482 31.823 -0.025 0.000 1.068 291 V HN 1.082 nan 8.190 nan 0.000 0.441 292 A N 0.564 123.379 122.820 -0.007 0.000 2.386 292 A HA 0.846 5.166 4.320 -0.000 0.000 0.248 292 A C 1.079 178.668 177.584 0.009 0.000 1.082 292 A CA 0.766 52.803 52.037 0.000 0.000 0.789 292 A CB -0.187 18.812 19.000 -0.001 0.000 1.025 292 A HN 2.996 nan 8.150 nan 0.000 0.490 293 G N 0.484 109.295 108.800 0.017 0.000 2.516 293 G HA2 0.177 4.137 3.960 -0.000 0.000 0.220 293 G HA3 0.177 4.137 3.960 -0.000 0.000 0.220 293 G C -0.343 174.583 174.900 0.042 0.000 1.165 293 G CA 0.470 45.590 45.100 0.033 0.000 1.013 293 G HN 1.821 nan 8.290 nan 0.000 0.590 294 E N -1.169 119.073 120.200 0.070 0.000 2.456 294 E HA 0.626 4.976 4.350 -0.000 0.000 0.278 294 E C 0.227 176.869 176.600 0.069 0.000 1.034 294 E CA -0.252 56.185 56.400 0.061 0.000 0.846 294 E CB 1.523 31.274 29.700 0.085 0.000 1.460 294 E HN 2.643 nan 8.360 nan 0.000 0.463 295 G N -0.894 107.870 108.800 -0.061 0.000 2.746 295 G HA2 0.035 3.994 3.960 -0.000 0.000 0.685 295 G HA3 0.035 3.994 3.960 -0.000 0.000 0.685 295 G C -1.029 173.439 174.900 -0.721 0.000 1.350 295 G CA -0.435 44.471 45.100 -0.323 0.000 0.837 295 G HN 0.766 nan 8.290 nan 0.000 0.564 296 V N 1.040 120.262 119.914 -1.154 0.000 2.588 296 V HA 0.749 4.869 4.120 -0.000 0.000 0.304 296 V C -0.706 174.904 176.094 -0.808 0.000 1.042 296 V CA -0.742 60.998 62.300 -0.934 0.000 0.877 296 V CB 1.694 32.756 31.823 -1.269 0.000 0.996 296 V HN 0.782 nan 8.190 nan 0.000 0.425 297 Y N 3.922 124.124 120.300 -0.164 0.000 2.462 297 Y HA 0.701 5.251 4.550 -0.000 0.000 0.346 297 Y C -0.429 175.430 175.900 -0.068 0.000 0.976 297 Y CA -0.975 57.082 58.100 -0.071 0.000 1.044 297 Y CB 2.112 40.538 38.460 -0.058 0.000 1.230 297 Y HN 0.504 nan 8.280 nan 0.000 0.455 298 L N 4.563 125.851 121.223 0.107 0.000 2.301 298 L HA 0.538 4.878 4.340 -0.000 0.000 0.278 298 L C -0.049 176.857 176.870 0.059 0.000 1.022 298 L CA -0.625 54.244 54.840 0.048 0.000 0.854 298 L CB 0.126 42.203 42.059 0.030 0.000 1.226 298 L HN 0.721 nan 8.230 nan 0.000 0.429 299 R N 4.144 124.666 120.500 0.036 0.000 3.264 299 R HA -0.229 4.111 4.340 -0.000 0.000 0.251 299 R C 1.082 177.398 176.300 0.028 0.000 0.971 299 R CA 0.648 56.759 56.100 0.017 0.000 0.658 299 R CB -2.019 28.287 30.300 0.009 0.000 1.095 299 R HN 1.210 nan 8.270 nan 0.000 0.443 300 G N -1.655 107.169 108.800 0.040 0.000 2.363 300 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.238 300 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.238 300 G C 0.312 175.287 174.900 0.125 0.000 1.062 300 G CA 0.276 45.382 45.100 0.010 0.000 0.629 300 G HN 0.977 nan 8.290 nan 0.000 0.514 301 A N 1.413 124.322 122.820 0.149 0.000 2.340 301 A HA 0.717 5.037 4.320 -0.000 0.000 0.268 301 A C -2.068 175.660 177.584 0.240 0.000 1.100 301 A CA -0.943 51.198 52.037 0.173 0.000 0.803 301 A CB 0.508 19.569 19.000 0.102 0.000 1.043 301 A HN 0.187 nan 8.150 nan 0.000 0.488 302 P HA 0.162 nan 4.420 nan 0.000 0.267 302 P C -0.696 176.650 177.300 0.076 0.000 1.205 302 P CA 0.149 63.292 63.100 0.072 0.000 0.765 302 P CB 0.423 32.178 31.700 0.091 0.000 0.828 303 L N 6.732 127.984 121.223 0.050 0.000 2.264 303 L HA 0.413 4.753 4.340 -0.000 0.000 0.287 303 L C -2.330 174.756 176.870 0.359 0.000 1.039 303 L CA -2.341 52.594 54.840 0.159 0.000 0.829 303 L CB 1.067 43.164 42.059 0.063 0.000 1.211 303 L HN 0.227 nan 8.230 nan 0.000 0.427 304 P HA 0.102 nan 4.420 nan 0.000 0.268 304 P C -0.970 176.472 177.300 0.237 0.000 1.205 304 P CA -0.042 63.174 63.100 0.193 0.000 0.771 304 P CB 0.611 32.366 31.700 0.092 0.000 0.858 305 R N 0.000 120.402 120.500 -0.163 0.000 2.786 305 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 305 R CA 0.000 55.925 56.100 -0.292 0.000 0.921 305 R CB 0.000 29.647 30.300 -1.088 0.000 0.687 305 R HN 0.000 nan 8.270 nan 0.000 0.535