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 2zkt_1_B DATA FIRST_RESID 2 DATA SEQUENCE VLKRKGLLII LDGLGDRPIK ELNGLTPLEY ANTPNMDKLA EIGILGQQDP DATA SEQUENCE IKPGQPAGSD TAHLSIFGYD PYETYRGRGF FEALGVGLDL SKDDLAFRVN DATA SEQUENCE FATLENXXXX XXXXXXXXXX XXXXXARAIQ EEVDIGVDFI FKXXTGHRAV DATA SEQUENCE LVLKGMSRGY KVGDNDPHEA GKPPXXXXXX XXXSKKVAEI LEEFVKKAQE DATA SEQUENCE VLEKHPINER RRKEGKPIAN YLLIRGAGTY PNIPMKFTEQ WKVKAAGVIA DATA SEQUENCE VALVKGVARA VGFDVYTPEG ATGEYNTNEM AKAKKAVELL KDYDFVFLHF DATA SEQUENCE KPTDAAGHDN KPKLKAELIE RADRMIGYIL DHVDLEEVVI AITGDHSTPC DATA SEQUENCE EVMNHSGDPV PLLIAGGGVR TDDTKRFGER EAMKGGLGRI RGHDIVPIMM DATA SEQUENCE DLMNRSEKFG A 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.106 176.094 0.020 0.000 1.182 2 V CA 0.000 62.310 62.300 0.018 0.000 1.235 2 V CB 0.000 31.835 31.823 0.020 0.000 1.184 3 L N 4.392 125.627 121.223 0.020 0.000 2.305 3 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 3 L C 0.230 177.117 176.870 0.028 0.000 1.085 3 L CA 0.465 55.319 54.840 0.022 0.000 0.813 3 L CB 0.767 42.837 42.059 0.018 0.000 1.157 3 L HN 0.660 nan 8.230 nan 0.000 0.436 4 K N 4.708 125.129 120.400 0.034 0.000 2.087 4 K HA 0.576 4.896 4.320 -0.000 0.000 0.255 4 K C -0.517 176.110 176.600 0.044 0.000 0.988 4 K CA -0.698 55.615 56.287 0.043 0.000 0.915 4 K CB 1.259 33.791 32.500 0.052 0.000 1.043 4 K HN 0.580 nan 8.250 nan 0.000 0.457 5 R N 0.843 121.373 120.500 0.051 0.000 2.919 5 R HA 0.355 4.695 4.340 -0.000 0.000 0.260 5 R C -0.414 175.931 176.300 0.075 0.000 1.067 5 R CA -0.959 55.172 56.100 0.051 0.000 1.003 5 R CB 1.586 31.909 30.300 0.038 0.000 1.192 5 R HN 0.398 nan 8.270 nan 0.000 0.488 6 K N -0.290 120.151 120.400 0.068 0.000 2.127 6 K HA 0.462 4.781 4.320 -0.000 0.000 0.240 6 K C -0.005 176.641 176.600 0.076 0.000 1.024 6 K CA -0.558 55.783 56.287 0.090 0.000 0.918 6 K CB 1.198 33.738 32.500 0.066 0.000 1.108 6 K HN 0.688 nan 8.250 nan 0.000 0.485 7 G N 0.427 109.263 108.800 0.060 0.000 2.524 7 G HA2 0.565 4.524 3.960 -0.000 0.000 0.310 7 G HA3 0.565 4.524 3.960 -0.000 0.000 0.310 7 G C -1.918 172.763 174.900 -0.366 0.000 1.279 7 G CA -0.429 44.621 45.100 -0.083 0.000 0.974 7 G HN 0.297 nan 8.290 nan 0.000 0.484 8 L N 2.351 123.387 121.223 -0.311 0.000 2.471 8 L HA 0.570 4.910 4.340 -0.000 0.000 0.263 8 L C -1.409 175.329 176.870 -0.220 0.000 0.985 8 L CA -0.972 53.698 54.840 -0.283 0.000 0.868 8 L CB 1.508 43.477 42.059 -0.150 0.000 1.203 8 L HN 0.428 nan 8.230 nan 0.000 0.429 9 L N 6.212 127.296 121.223 -0.231 0.000 2.265 9 L HA 0.607 4.947 4.340 -0.000 0.000 0.289 9 L C -0.889 175.987 176.870 0.010 0.000 1.033 9 L CA 0.057 54.902 54.840 0.008 0.000 0.814 9 L CB 0.866 43.088 42.059 0.272 0.000 1.203 9 L HN 0.507 nan 8.230 nan 0.000 0.423 10 I N 6.326 126.867 120.570 -0.049 0.000 2.339 10 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 10 I C -0.609 175.458 176.117 -0.082 0.000 0.994 10 I CA -0.547 60.680 61.300 -0.122 0.000 1.191 10 I CB 1.481 39.400 38.000 -0.136 0.000 1.343 10 I HN 0.386 nan 8.210 nan 0.000 0.458 11 I N 7.563 128.054 120.570 -0.132 0.000 2.362 11 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 11 I C -0.138 175.869 176.117 -0.184 0.000 0.994 11 I CA -0.537 60.707 61.300 -0.092 0.000 1.158 11 I CB 1.643 39.691 38.000 0.080 0.000 1.315 11 I HN 0.404 nan 8.210 nan 0.000 0.451 12 L N 5.416 126.572 121.223 -0.111 0.000 2.314 12 L HA 0.280 4.620 4.340 -0.000 0.000 0.275 12 L C 0.555 177.343 176.870 -0.137 0.000 1.068 12 L CA -0.559 54.255 54.840 -0.045 0.000 0.894 12 L CB 0.351 42.432 42.059 0.037 0.000 1.275 12 L HN 0.517 nan 8.230 nan 0.000 0.432 13 D N 3.041 123.292 120.400 -0.249 0.000 2.658 13 D HA -0.077 4.562 4.640 -0.000 0.000 0.230 13 D C 1.256 177.391 176.300 -0.274 0.000 1.118 13 D CA 1.706 55.541 54.000 -0.276 0.000 0.848 13 D CB 0.936 41.643 40.800 -0.155 0.000 1.160 13 D HN 0.872 nan 8.370 nan 0.000 0.497 14 G N 3.436 111.896 108.800 -0.567 0.000 2.203 14 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 14 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 14 G C 1.082 175.872 174.900 -0.184 0.000 1.012 14 G CA 0.565 45.433 45.100 -0.387 0.000 0.749 14 G HN 0.541 nan 8.290 nan 0.000 0.512 15 L N 1.024 122.141 121.223 -0.177 0.000 1.997 15 L HA 0.166 4.506 4.340 -0.000 0.000 0.216 15 L C 2.207 179.024 176.870 -0.089 0.000 1.074 15 L CA 2.659 57.445 54.840 -0.090 0.000 0.763 15 L CB -1.013 41.007 42.059 -0.064 0.000 0.890 15 L HN 0.656 nan 8.230 nan 0.000 0.434 16 G N -0.352 108.386 108.800 -0.104 0.000 2.484 16 G HA2 0.247 4.207 3.960 -0.000 0.000 0.235 16 G HA3 0.247 4.207 3.960 -0.000 0.000 0.235 16 G C -0.538 174.323 174.900 -0.064 0.000 1.282 16 G CA 0.034 45.082 45.100 -0.088 0.000 0.857 16 G HN 0.443 nan 8.290 nan 0.000 0.571 17 D N -0.264 120.099 120.400 -0.062 0.000 2.825 17 D HA 0.441 5.080 4.640 -0.000 0.000 0.327 17 D C -0.321 175.952 176.300 -0.045 0.000 1.277 17 D CA -0.652 53.320 54.000 -0.047 0.000 0.950 17 D CB 1.702 42.476 40.800 -0.043 0.000 1.438 17 D HN 0.392 nan 8.370 nan 0.000 0.526 18 R N 0.003 120.481 120.500 -0.038 0.000 2.854 18 R HA 0.532 4.872 4.340 -0.000 0.000 0.271 18 R C -2.366 173.912 176.300 -0.037 0.000 0.996 18 R CA -1.659 54.420 56.100 -0.035 0.000 0.961 18 R CB 1.498 31.781 30.300 -0.027 0.000 1.182 18 R HN 0.126 nan 8.270 nan 0.000 0.479 19 P HA -0.056 nan 4.420 nan 0.000 0.261 19 P C -0.715 176.560 177.300 -0.041 0.000 1.173 19 P CA 0.594 63.674 63.100 -0.034 0.000 0.760 19 P CB 0.378 32.062 31.700 -0.027 0.000 0.783 20 I N 3.773 124.310 120.570 -0.055 0.000 2.378 20 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 20 I C 1.558 177.629 176.117 -0.076 0.000 0.992 20 I CA -0.515 60.742 61.300 -0.072 0.000 1.154 20 I CB 1.508 39.444 38.000 -0.106 0.000 1.315 20 I HN 0.457 nan 8.210 nan 0.000 0.448 21 K N 5.390 125.753 120.400 -0.061 0.000 2.057 21 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 21 K C 1.589 178.147 176.600 -0.071 0.000 1.049 21 K CA 1.849 58.104 56.287 -0.053 0.000 0.931 21 K CB 0.232 32.709 32.500 -0.039 0.000 0.714 21 K HN 0.722 nan 8.250 nan 0.000 0.440 22 E N 0.430 120.573 120.200 -0.095 0.000 2.472 22 E HA -0.155 4.194 4.350 -0.000 0.000 0.200 22 E C 0.931 177.411 176.600 -0.200 0.000 1.046 22 E CA 0.659 56.988 56.400 -0.118 0.000 0.871 22 E CB -0.054 29.577 29.700 -0.115 0.000 0.806 22 E HN 0.365 nan 8.360 nan 0.000 0.533 23 L N 1.238 122.318 121.223 -0.238 0.000 2.928 23 L HA 0.225 4.565 4.340 -0.000 0.000 0.246 23 L C -0.316 176.501 176.870 -0.089 0.000 1.239 23 L CA -0.478 54.139 54.840 -0.372 0.000 1.035 23 L CB -0.378 41.373 42.059 -0.513 0.000 1.360 23 L HN 0.031 nan 8.230 nan 0.000 0.529 24 N N 0.932 119.605 118.700 -0.045 0.000 2.747 24 N HA -0.205 4.534 4.740 -0.000 0.000 0.249 24 N C 1.070 176.581 175.510 0.002 0.000 1.107 24 N CA 0.960 54.013 53.050 0.005 0.000 0.707 24 N CB -1.440 37.080 38.487 0.054 0.000 1.054 24 N HN 0.682 nan 8.380 nan 0.000 0.555 25 G N -1.295 107.493 108.800 -0.021 0.000 2.159 25 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.256 25 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.256 25 G C 0.071 174.964 174.900 -0.011 0.000 0.977 25 G CA 0.667 45.757 45.100 -0.017 0.000 0.652 25 G HN 0.435 nan 8.290 nan 0.000 0.531 26 L N 0.747 121.969 121.223 -0.002 0.000 2.387 26 L HA 0.713 5.052 4.340 -0.000 0.000 0.266 26 L C 1.319 178.183 176.870 -0.009 0.000 1.059 26 L CA -0.420 54.429 54.840 0.016 0.000 0.801 26 L CB 1.338 43.450 42.059 0.089 0.000 1.223 26 L HN 0.325 nan 8.230 nan 0.000 0.456 27 T N -3.108 111.442 114.554 -0.007 0.000 2.902 27 T HA 0.291 4.641 4.350 -0.000 0.000 0.280 27 T C -2.085 172.623 174.700 0.013 0.000 0.992 27 T CA -1.840 60.246 62.100 -0.023 0.000 1.015 27 T CB 1.594 70.434 68.868 -0.047 0.000 1.044 27 T HN 0.285 nan 8.240 nan 0.000 0.520 28 P HA -0.100 nan 4.420 nan 0.000 0.216 28 P C 1.638 178.984 177.300 0.077 0.000 1.150 28 P CA 0.439 63.571 63.100 0.053 0.000 0.843 28 P CB -0.041 31.674 31.700 0.024 0.000 0.787 29 L N 0.011 121.239 121.223 0.009 0.000 2.093 29 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 29 L C 1.910 178.768 176.870 -0.020 0.000 1.085 29 L CA 1.928 56.753 54.840 -0.026 0.000 0.755 29 L CB -1.265 40.714 42.059 -0.133 0.000 0.904 29 L HN -0.050 nan 8.230 nan 0.000 0.435 30 E N -1.672 118.520 120.200 -0.012 0.000 2.046 30 E HA -0.242 4.107 4.350 -0.000 0.000 0.190 30 E C 2.062 178.694 176.600 0.053 0.000 0.982 30 E CA 1.436 57.836 56.400 0.000 0.000 0.800 30 E CB -0.424 29.273 29.700 -0.004 0.000 0.756 30 E HN 0.580 nan 8.360 nan 0.000 0.449 31 Y N 1.852 122.133 120.300 -0.033 0.000 2.145 31 Y HA -0.091 4.459 4.550 -0.000 0.000 0.286 31 Y C 0.869 176.760 175.900 -0.014 0.000 1.145 31 Y CA 0.784 58.872 58.100 -0.021 0.000 1.148 31 Y CB -0.341 38.108 38.460 -0.019 0.000 0.981 31 Y HN -0.090 nan 8.280 nan 0.000 0.507 32 A N 1.399 124.262 122.820 0.072 0.000 2.531 32 A HA -0.029 4.291 4.320 -0.000 0.000 0.236 32 A C -0.083 177.457 177.584 -0.074 0.000 1.062 32 A CA 0.234 52.267 52.037 -0.008 0.000 0.760 32 A CB -0.435 18.601 19.000 0.060 0.000 0.995 32 A HN 0.607 nan 8.150 nan 0.000 0.501 33 N N 1.363 120.005 118.700 -0.097 0.000 2.399 33 N HA 0.254 4.993 4.740 -0.000 0.000 0.259 33 N C -0.020 175.468 175.510 -0.037 0.000 1.160 33 N CA 0.674 53.676 53.050 -0.080 0.000 0.946 33 N CB 0.296 38.729 38.487 -0.090 0.000 1.156 33 N HN 0.602 nan 8.380 nan 0.000 0.489 34 T N 1.987 116.530 114.554 -0.018 0.000 3.504 34 T HA 0.315 4.664 4.350 -0.000 0.000 0.286 34 T C -1.798 172.902 174.700 0.001 0.000 1.530 34 T CA -1.366 60.736 62.100 0.002 0.000 1.652 34 T CB 1.190 70.085 68.868 0.045 0.000 0.895 34 T HN 0.319 nan 8.240 nan 0.000 0.674 35 P HA -0.129 nan 4.420 nan 0.000 0.219 35 P C 1.066 178.352 177.300 -0.024 0.000 1.146 35 P CA 0.997 64.086 63.100 -0.019 0.000 0.808 35 P CB 0.270 31.954 31.700 -0.026 0.000 0.779 36 N N -0.404 118.277 118.700 -0.032 0.000 2.207 36 N HA 0.020 4.759 4.740 -0.000 0.000 0.182 36 N C 2.010 177.482 175.510 -0.063 0.000 1.020 36 N CA 1.141 54.161 53.050 -0.049 0.000 0.858 36 N CB -0.497 37.957 38.487 -0.056 0.000 0.991 36 N HN 0.227 nan 8.380 nan 0.000 0.427 37 M N 0.774 120.342 119.600 -0.052 0.000 2.229 37 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 37 M C 0.983 177.260 176.300 -0.037 0.000 1.063 37 M CA 1.171 56.413 55.300 -0.096 0.000 1.114 37 M CB -0.147 32.437 32.600 -0.027 0.000 1.387 37 M HN -0.067 nan 8.290 nan 0.000 0.420 38 D N 0.523 120.939 120.400 0.026 0.000 2.144 38 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 38 D C 1.857 178.156 176.300 -0.002 0.000 0.978 38 D CA 1.033 55.056 54.000 0.040 0.000 0.833 38 D CB -0.316 40.502 40.800 0.030 0.000 0.961 38 D HN 0.287 nan 8.370 nan 0.000 0.470 39 K N 0.732 121.116 120.400 -0.026 0.000 2.026 39 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 39 K C 2.166 178.736 176.600 -0.050 0.000 1.048 39 K CA 0.667 56.932 56.287 -0.036 0.000 0.929 39 K CB -0.232 32.242 32.500 -0.044 0.000 0.713 39 K HN 0.163 nan 8.250 nan 0.000 0.439 40 L N 0.590 121.767 121.223 -0.077 0.000 2.093 40 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 40 L C 2.671 179.484 176.870 -0.094 0.000 1.085 40 L CA 1.160 55.939 54.840 -0.103 0.000 0.755 40 L CB -0.494 41.470 42.059 -0.158 0.000 0.904 40 L HN 0.257 nan 8.230 nan 0.000 0.435 41 A N -0.680 122.091 122.820 -0.081 0.000 1.969 41 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 41 A C 2.308 179.889 177.584 -0.006 0.000 1.169 41 A CA 1.450 53.471 52.037 -0.026 0.000 0.635 41 A CB -0.379 18.665 19.000 0.072 0.000 0.810 41 A HN 0.364 nan 8.150 nan 0.000 0.445 42 E N 0.520 120.714 120.200 -0.010 0.000 2.072 42 E HA -0.166 4.183 4.350 -0.000 0.000 0.191 42 E C 1.618 178.210 176.600 -0.014 0.000 0.985 42 E CA 1.773 58.169 56.400 -0.007 0.000 0.801 42 E CB -0.193 29.501 29.700 -0.010 0.000 0.750 42 E HN 0.709 nan 8.360 nan 0.000 0.452 43 I N -2.101 118.453 120.570 -0.025 0.000 3.793 43 I HA 0.301 4.471 4.170 -0.000 0.000 0.315 43 I C 1.170 177.271 176.117 -0.027 0.000 1.275 43 I CA 0.131 61.416 61.300 -0.025 0.000 1.214 43 I CB 0.173 38.155 38.000 -0.031 0.000 1.018 43 I HN -0.072 nan 8.210 nan 0.000 0.439 44 G N 0.859 109.640 108.800 -0.032 0.000 2.782 44 G HA2 0.709 4.669 3.960 -0.000 0.000 0.201 44 G HA3 0.709 4.669 3.960 -0.000 0.000 0.201 44 G C -0.873 174.017 174.900 -0.016 0.000 1.374 44 G CA -0.581 44.499 45.100 -0.032 0.000 1.039 44 G HN 0.181 nan 8.290 nan 0.000 0.576 45 I N -0.901 119.660 120.570 -0.015 0.000 2.769 45 I HA 0.568 4.738 4.170 -0.000 0.000 0.298 45 I C -1.534 174.592 176.117 0.015 0.000 1.128 45 I CA -0.836 60.465 61.300 0.003 0.000 1.031 45 I CB 2.124 40.125 38.000 0.002 0.000 1.235 45 I HN 0.223 nan 8.210 nan 0.000 0.423 46 L N 5.410 126.656 121.223 0.038 0.000 2.303 46 L HA 0.980 5.320 4.340 -0.000 0.000 0.266 46 L C 0.159 177.062 176.870 0.056 0.000 1.011 46 L CA -0.253 54.632 54.840 0.075 0.000 0.818 46 L CB 1.818 43.945 42.059 0.113 0.000 1.326 46 L HN 0.745 nan 8.230 nan 0.000 0.435 47 G N 0.186 109.028 108.800 0.069 0.000 2.600 47 G HA2 0.573 4.533 3.960 -0.000 0.000 0.293 47 G HA3 0.573 4.533 3.960 -0.000 0.000 0.293 47 G C -1.965 172.955 174.900 0.033 0.000 1.408 47 G CA -0.556 44.566 45.100 0.038 0.000 0.782 47 G HN 0.371 nan 8.290 nan 0.000 0.482 48 Q N -0.389 119.415 119.800 0.007 0.000 2.353 48 Q HA 0.532 4.872 4.340 -0.000 0.000 0.268 48 Q C -1.039 174.949 176.000 -0.021 0.000 1.045 48 Q CA -0.843 54.954 55.803 -0.010 0.000 0.811 48 Q CB 2.433 31.159 28.738 -0.020 0.000 1.305 48 Q HN 0.645 nan 8.270 nan 0.000 0.447 49 Q N 0.252 120.033 119.800 -0.033 0.000 2.356 49 Q HA 0.455 4.795 4.340 -0.000 0.000 0.270 49 Q C -1.429 174.531 176.000 -0.066 0.000 1.058 49 Q CA -0.769 55.000 55.803 -0.056 0.000 0.802 49 Q CB 1.869 30.569 28.738 -0.063 0.000 1.303 49 Q HN 0.266 nan 8.270 nan 0.000 0.444 50 D N 4.430 124.781 120.400 -0.080 0.000 2.373 50 D HA 0.183 4.823 4.640 -0.000 0.000 0.227 50 D C -1.769 174.467 176.300 -0.106 0.000 1.091 50 D CA -1.666 52.289 54.000 -0.074 0.000 0.840 50 D CB 1.678 42.444 40.800 -0.057 0.000 1.060 50 D HN 0.408 nan 8.370 nan 0.000 0.502 51 P HA -0.118 nan 4.420 nan 0.000 0.215 51 P C 1.180 178.409 177.300 -0.118 0.000 1.157 51 P CA 1.187 64.217 63.100 -0.115 0.000 0.874 51 P CB 0.631 32.273 31.700 -0.096 0.000 0.790 52 I N -2.841 117.664 120.570 -0.108 0.000 3.345 52 I HA 0.140 4.310 4.170 -0.000 0.000 0.258 52 I C 0.738 176.832 176.117 -0.038 0.000 1.134 52 I CA 0.299 61.524 61.300 -0.125 0.000 1.457 52 I CB 0.239 38.110 38.000 -0.216 0.000 1.425 52 I HN -0.068 nan 8.210 nan 0.000 0.461 53 K N 0.144 120.536 120.400 -0.013 0.000 2.736 53 K HA 0.358 4.678 4.320 -0.000 0.000 0.290 53 K C -3.068 173.542 176.600 0.017 0.000 1.033 53 K CA -1.540 54.764 56.287 0.029 0.000 0.852 53 K CB 0.552 33.113 32.500 0.102 0.000 1.494 53 K HN -0.341 nan 8.250 nan 0.000 0.378 54 P HA -0.027 nan 4.420 nan 0.000 0.258 54 P C 0.624 177.933 177.300 0.016 0.000 1.172 54 P CA 2.035 65.141 63.100 0.010 0.000 0.762 54 P CB 0.224 31.931 31.700 0.013 0.000 0.764 55 G N 1.942 110.747 108.800 0.008 0.000 2.166 55 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.260 55 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.260 55 G C 0.181 175.090 174.900 0.016 0.000 0.986 55 G CA 0.114 45.220 45.100 0.010 0.000 0.683 55 G HN 0.642 nan 8.290 nan 0.000 0.527 56 Q N 0.871 120.681 119.800 0.016 0.000 2.400 56 Q HA 0.595 4.934 4.340 -0.000 0.000 0.255 56 Q C -2.441 173.555 176.000 -0.006 0.000 1.008 56 Q CA -2.342 53.473 55.803 0.020 0.000 0.841 56 Q CB 1.370 30.135 28.738 0.046 0.000 1.220 56 Q HN 0.228 nan 8.270 nan 0.000 0.474 57 P HA 0.229 nan 4.420 nan 0.000 0.268 57 P C -1.467 175.810 177.300 -0.039 0.000 1.204 57 P CA -0.054 63.036 63.100 -0.015 0.000 0.768 57 P CB 1.066 32.766 31.700 -0.001 0.000 0.842 58 A N 3.029 125.815 122.820 -0.057 0.000 2.330 58 A HA 0.693 5.013 4.320 -0.000 0.000 0.327 58 A C 0.542 178.113 177.584 -0.022 0.000 1.155 58 A CA -0.442 51.545 52.037 -0.083 0.000 0.803 58 A CB 0.805 19.743 19.000 -0.103 0.000 1.208 58 A HN 0.574 nan 8.150 nan 0.000 0.477 59 G N 0.088 108.854 108.800 -0.057 0.000 2.606 59 G HA2 0.360 4.320 3.960 -0.000 0.000 0.252 59 G HA3 0.360 4.320 3.960 -0.000 0.000 0.252 59 G C 1.077 176.023 174.900 0.075 0.000 1.206 59 G CA 0.474 45.572 45.100 -0.003 0.000 0.861 59 G HN 0.809 nan 8.290 nan 0.000 0.561 60 S N -0.127 115.703 115.700 0.216 0.000 2.383 60 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 60 S C 2.139 176.851 174.600 0.186 0.000 1.030 60 S CA 2.106 60.481 58.200 0.292 0.000 1.002 60 S CB -0.317 63.079 63.200 0.327 0.000 0.829 60 S HN 0.765 nan 8.310 nan 0.000 0.467 61 D N 0.794 121.215 120.400 0.035 0.000 2.097 61 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 61 D C 2.127 178.315 176.300 -0.186 0.000 0.984 61 D CA 1.956 55.888 54.000 -0.113 0.000 0.826 61 D CB -1.610 39.182 40.800 -0.014 0.000 0.973 61 D HN 0.559 nan 8.370 nan 0.000 0.460 62 T N -1.561 112.822 114.554 -0.286 0.000 2.867 62 T HA 0.074 4.424 4.350 -0.000 0.000 0.268 62 T C 2.143 176.731 174.700 -0.187 0.000 1.057 62 T CA 1.474 63.360 62.100 -0.356 0.000 1.136 62 T CB -0.589 67.939 68.868 -0.566 0.000 0.874 62 T HN 0.265 nan 8.240 nan 0.000 0.466 63 A N 1.137 123.875 122.820 -0.136 0.000 1.930 63 A HA -0.033 4.286 4.320 -0.000 0.000 0.217 63 A C 2.093 179.527 177.584 -0.249 0.000 1.175 63 A CA 1.549 53.494 52.037 -0.153 0.000 0.627 63 A CB -0.937 18.012 19.000 -0.085 0.000 0.815 63 A HN 0.706 nan 8.150 nan 0.000 0.443 64 H N -0.843 118.109 119.070 -0.196 0.000 2.436 64 H HA 0.173 4.729 4.556 -0.000 0.000 0.294 64 H C 1.860 177.016 175.328 -0.286 0.000 1.048 64 H CA 1.087 56.905 56.048 -0.383 0.000 1.353 64 H CB -0.036 29.520 29.762 -0.343 0.000 1.414 64 H HN 0.353 nan 8.280 nan 0.000 0.536 65 L N -0.629 120.619 121.223 0.042 0.000 2.079 65 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 65 L C 2.586 179.619 176.870 0.272 0.000 1.081 65 L CA 1.309 56.288 54.840 0.232 0.000 0.752 65 L CB -0.353 41.793 42.059 0.144 0.000 0.896 65 L HN 0.270 nan 8.230 nan 0.000 0.433 66 S N 0.012 115.763 115.700 0.085 0.000 2.345 66 S HA -0.144 4.326 4.470 -0.000 0.000 0.220 66 S C 2.002 176.623 174.600 0.036 0.000 1.031 66 S CA 0.924 59.184 58.200 0.100 0.000 0.996 66 S CB -0.072 63.130 63.200 0.004 0.000 0.882 66 S HN 0.225 nan 8.310 nan 0.000 0.445 67 I N 1.132 121.607 120.570 -0.159 0.000 2.264 67 I HA -0.116 4.053 4.170 -0.000 0.000 0.248 67 I C 1.662 177.680 176.117 -0.164 0.000 1.111 67 I CA 1.334 62.485 61.300 -0.249 0.000 1.382 67 I CB -1.496 36.202 38.000 -0.502 0.000 1.060 67 I HN 0.315 nan 8.210 nan 0.000 0.418 68 F N 0.859 120.839 119.950 0.050 0.000 2.802 68 F HA 0.206 4.732 4.527 -0.000 0.000 0.300 68 F C 1.920 177.835 175.800 0.192 0.000 1.168 68 F CA 0.687 58.755 58.000 0.113 0.000 1.433 68 F CB -0.671 38.426 39.000 0.161 0.000 1.115 68 F HN 0.284 nan 8.300 nan 0.000 0.582 69 G N -1.534 107.401 108.800 0.224 0.000 2.154 69 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.186 69 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.186 69 G C -0.161 174.666 174.900 -0.121 0.000 1.000 69 G CA -0.626 44.522 45.100 0.080 0.000 0.664 69 G HN 0.263 nan 8.290 nan 0.000 0.513 70 Y N 0.516 120.962 120.300 0.243 0.000 2.534 70 Y HA 0.608 5.158 4.550 -0.000 0.000 0.329 70 Y C 0.324 176.247 175.900 0.038 0.000 1.154 70 Y CA -1.261 56.915 58.100 0.127 0.000 1.192 70 Y CB 1.033 39.582 38.460 0.148 0.000 1.275 70 Y HN 0.055 nan 8.280 nan 0.000 0.491 71 D N 3.833 124.299 120.400 0.111 0.000 2.339 71 D HA 0.112 4.752 4.640 -0.000 0.000 0.241 71 D C -1.807 174.559 176.300 0.110 0.000 1.183 71 D CA -1.942 52.054 54.000 -0.007 0.000 0.859 71 D CB 1.552 42.309 40.800 -0.072 0.000 1.067 71 D HN 0.267 nan 8.370 nan 0.000 0.484 72 P HA -0.208 nan 4.420 nan 0.000 0.215 72 P C 1.118 178.468 177.300 0.084 0.000 1.153 72 P CA 0.954 64.066 63.100 0.021 0.000 0.853 72 P CB 0.043 31.649 31.700 -0.157 0.000 0.788 73 Y N 0.878 121.236 120.300 0.096 0.000 2.403 73 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 73 Y C 2.415 178.367 175.900 0.086 0.000 1.143 73 Y CA 0.903 59.056 58.100 0.090 0.000 1.257 73 Y CB -0.765 37.733 38.460 0.064 0.000 0.984 73 Y HN 0.167 nan 8.280 nan 0.000 0.550 74 E N -1.794 118.540 120.200 0.223 0.000 2.340 74 E HA -0.027 4.323 4.350 -0.000 0.000 0.198 74 E C 1.958 178.622 176.600 0.106 0.000 0.961 74 E CA 1.097 57.580 56.400 0.138 0.000 0.905 74 E CB 0.047 29.804 29.700 0.096 0.000 0.884 74 E HN 0.477 nan 8.360 nan 0.000 0.491 75 T N -1.400 113.228 114.554 0.123 0.000 3.031 75 T HA -0.067 4.283 4.350 -0.000 0.000 0.254 75 T C 0.775 175.535 174.700 0.102 0.000 1.060 75 T CA -0.148 61.995 62.100 0.071 0.000 1.135 75 T CB -0.444 68.449 68.868 0.042 0.000 0.896 75 T HN 0.002 nan 8.240 nan 0.000 0.472 76 Y N 3.276 123.603 120.300 0.044 0.000 2.729 76 Y HA 0.288 4.838 4.550 -0.000 0.000 0.331 76 Y C 0.693 176.606 175.900 0.021 0.000 1.208 76 Y CA -0.829 57.312 58.100 0.069 0.000 1.521 76 Y CB 0.264 38.778 38.460 0.091 0.000 1.233 76 Y HN -0.015 nan 8.280 nan 0.000 0.539 77 R N 4.405 124.600 120.500 -0.508 0.000 2.727 77 R HA 0.345 4.684 4.340 -0.000 0.000 0.410 77 R C 0.033 175.918 176.300 -0.691 0.000 1.101 77 R CA 0.254 56.058 56.100 -0.494 0.000 1.045 77 R CB 0.164 30.259 30.300 -0.342 0.000 1.380 77 R HN 0.980 nan 8.270 nan 0.000 0.587 78 G N 0.617 108.645 108.800 -1.286 0.000 2.541 78 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.686 78 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.686 78 G C 0.002 174.641 174.900 -0.435 0.000 1.286 78 G CA -0.171 44.449 45.100 -0.801 0.000 0.894 78 G HN 0.264 nan 8.290 nan 0.000 0.575 79 R N -0.200 120.299 120.500 -0.001 0.000 2.087 79 R HA 0.195 4.535 4.340 -0.000 0.000 0.216 79 R C 2.835 179.196 176.300 0.103 0.000 1.114 79 R CA 1.764 58.022 56.100 0.263 0.000 1.002 79 R CB -0.829 29.629 30.300 0.264 0.000 0.903 79 R HN 1.218 nan 8.270 nan 0.000 0.445 80 G N 1.297 110.071 108.800 -0.043 0.000 2.703 80 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.222 80 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.222 80 G C 1.226 176.072 174.900 -0.090 0.000 1.183 80 G CA 1.350 46.393 45.100 -0.096 0.000 0.775 80 G HN 0.410 nan 8.290 nan 0.000 0.615 81 F N 0.670 120.428 119.950 -0.321 0.000 2.154 81 F HA -0.051 4.475 4.527 -0.000 0.000 0.301 81 F C 2.379 178.046 175.800 -0.222 0.000 1.087 81 F CA 1.605 59.411 58.000 -0.323 0.000 1.274 81 F CB -0.202 38.514 39.000 -0.474 0.000 1.009 81 F HN 0.134 nan 8.300 nan 0.000 0.485 82 F N 0.275 120.331 119.950 0.176 0.000 2.146 82 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 82 F C 2.460 178.261 175.800 0.003 0.000 1.096 82 F CA 1.476 59.538 58.000 0.103 0.000 1.275 82 F CB -1.240 37.815 39.000 0.091 0.000 1.008 82 F HN -0.070 nan 8.300 nan 0.000 0.480 83 E N 0.407 120.703 120.200 0.161 0.000 2.077 83 E HA -0.154 4.195 4.350 -0.000 0.000 0.193 83 E C 2.288 178.878 176.600 -0.017 0.000 0.989 83 E CA 1.339 57.769 56.400 0.049 0.000 0.800 83 E CB -0.415 29.297 29.700 0.019 0.000 0.746 83 E HN 0.237 nan 8.360 nan 0.000 0.452 84 A N 0.317 123.085 122.820 -0.088 0.000 1.877 84 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 84 A C 2.222 179.719 177.584 -0.145 0.000 1.186 84 A CA 1.346 53.292 52.037 -0.153 0.000 0.620 84 A CB -0.739 18.087 19.000 -0.290 0.000 0.822 84 A HN 0.314 nan 8.150 nan 0.000 0.443 85 L N -0.656 120.471 121.223 -0.161 0.000 2.265 85 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 85 L C 2.708 179.574 176.870 -0.008 0.000 1.117 85 L CA 0.818 55.613 54.840 -0.074 0.000 0.782 85 L CB -0.763 41.320 42.059 0.039 0.000 0.914 85 L HN 0.525 nan 8.230 nan 0.000 0.441 86 G N 0.335 109.139 108.800 0.006 0.000 2.402 86 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 86 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 86 G C 1.465 176.361 174.900 -0.007 0.000 1.162 86 G CA 0.967 46.070 45.100 0.005 0.000 0.777 86 G HN 0.352 nan 8.290 nan 0.000 0.539 87 V N -1.777 118.130 119.914 -0.011 0.000 3.510 87 V HA 0.487 4.606 4.120 -0.000 0.000 0.270 87 V C 1.701 177.794 176.094 -0.001 0.000 1.201 87 V CA 0.727 63.026 62.300 -0.002 0.000 1.166 87 V CB -0.742 31.083 31.823 0.004 0.000 0.825 87 V HN 1.173 nan 8.190 nan 0.000 0.484 88 G N -0.086 108.708 108.800 -0.011 0.000 2.163 88 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.213 88 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.213 88 G C -0.099 174.793 174.900 -0.014 0.000 0.991 88 G CA 0.070 45.165 45.100 -0.009 0.000 0.653 88 G HN 0.551 nan 8.290 nan 0.000 0.518 89 L N 0.763 121.968 121.223 -0.031 0.000 2.453 89 L HA 0.452 4.792 4.340 -0.000 0.000 0.261 89 L C -0.216 176.621 176.870 -0.055 0.000 1.179 89 L CA -0.443 54.374 54.840 -0.038 0.000 0.813 89 L CB 0.480 42.505 42.059 -0.057 0.000 1.110 89 L HN -0.001 nan 8.230 nan 0.000 0.466 90 D N 2.721 123.098 120.400 -0.040 0.000 2.460 90 D HA 0.448 5.088 4.640 -0.000 0.000 0.232 90 D C -0.562 175.713 176.300 -0.042 0.000 1.079 90 D CA -0.307 53.674 54.000 -0.030 0.000 0.864 90 D CB 1.723 42.519 40.800 -0.008 0.000 1.048 90 D HN 0.062 nan 8.370 nan 0.000 0.523 91 L N 0.789 121.965 121.223 -0.078 0.000 2.358 91 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 91 L C 0.743 177.652 176.870 0.065 0.000 1.032 91 L CA -0.496 54.303 54.840 -0.067 0.000 0.805 91 L CB 1.352 43.222 42.059 -0.315 0.000 1.253 91 L HN 0.079 nan 8.230 nan 0.000 0.452 92 S N -0.339 115.415 115.700 0.089 0.000 2.565 92 S HA 0.304 4.774 4.470 -0.000 0.000 0.290 92 S C 0.754 175.434 174.600 0.133 0.000 1.150 92 S CA -0.805 57.439 58.200 0.074 0.000 1.058 92 S CB 1.237 64.455 63.200 0.029 0.000 1.032 92 S HN 0.440 nan 8.310 nan 0.000 0.510 93 K N 1.179 121.571 120.400 -0.014 0.000 2.589 93 K HA -0.125 4.195 4.320 -0.000 0.000 0.195 93 K C 0.581 177.147 176.600 -0.056 0.000 1.040 93 K CA 1.063 57.275 56.287 -0.125 0.000 0.950 93 K CB -0.164 32.156 32.500 -0.301 0.000 0.781 93 K HN 0.597 nan 8.250 nan 0.000 0.486 94 D N -0.508 119.895 120.400 0.004 0.000 2.398 94 D HA 0.002 4.642 4.640 -0.000 0.000 0.210 94 D C -0.069 176.258 176.300 0.044 0.000 1.094 94 D CA -0.104 53.894 54.000 -0.004 0.000 0.839 94 D CB 0.114 40.898 40.800 -0.025 0.000 0.963 94 D HN -0.113 nan 8.370 nan 0.000 0.506 95 D N 0.812 121.286 120.400 0.124 0.000 2.283 95 D HA 0.311 4.951 4.640 -0.000 0.000 0.248 95 D C -0.404 175.976 176.300 0.134 0.000 1.072 95 D CA -0.438 53.642 54.000 0.134 0.000 0.929 95 D CB 2.131 43.001 40.800 0.117 0.000 1.182 95 D HN 0.051 nan 8.370 nan 0.000 0.433 96 L N 1.157 122.412 121.223 0.052 0.000 2.333 96 L HA 0.598 4.938 4.340 -0.000 0.000 0.280 96 L C -0.987 175.752 176.870 -0.218 0.000 1.004 96 L CA -0.526 54.256 54.840 -0.097 0.000 0.820 96 L CB 1.284 43.288 42.059 -0.092 0.000 1.247 96 L HN 0.417 nan 8.230 nan 0.000 0.416 97 A N 4.028 126.624 122.820 -0.374 0.000 2.354 97 A HA 0.917 5.237 4.320 -0.000 0.000 0.321 97 A C -1.473 175.755 177.584 -0.594 0.000 1.125 97 A CA -0.381 51.460 52.037 -0.328 0.000 0.799 97 A CB 0.891 19.756 19.000 -0.225 0.000 1.293 97 A HN 0.543 nan 8.150 nan 0.000 0.452 98 F N -0.216 119.669 119.950 -0.107 0.000 2.613 98 F HA 0.595 5.121 4.527 -0.000 0.000 0.314 98 F C 0.526 176.272 175.800 -0.089 0.000 1.075 98 F CA -0.698 57.246 58.000 -0.093 0.000 0.945 98 F CB 1.900 40.829 39.000 -0.119 0.000 1.310 98 F HN 0.706 nan 8.300 nan 0.000 0.467 99 R N 0.937 121.517 120.500 0.133 0.000 2.297 99 R HA 0.833 5.173 4.340 -0.000 0.000 0.308 99 R C -1.770 174.551 176.300 0.035 0.000 1.029 99 R CA -0.619 55.510 56.100 0.049 0.000 0.929 99 R CB 1.243 31.557 30.300 0.023 0.000 1.046 99 R HN 0.436 nan 8.270 nan 0.000 0.461 100 V N 2.713 122.613 119.914 -0.023 0.000 2.604 100 V HA 0.320 4.440 4.120 -0.000 0.000 0.305 100 V C -0.773 175.243 176.094 -0.130 0.000 1.043 100 V CA -1.075 61.158 62.300 -0.112 0.000 0.888 100 V CB 1.850 33.535 31.823 -0.230 0.000 0.995 100 V HN 0.811 nan 8.190 nan 0.000 0.429 101 N N 2.829 121.453 118.700 -0.126 0.000 2.372 101 N HA 0.638 5.378 4.740 -0.000 0.000 0.285 101 N C -1.052 174.354 175.510 -0.173 0.000 1.008 101 N CA -0.452 52.539 53.050 -0.097 0.000 0.880 101 N CB 1.338 39.844 38.487 0.032 0.000 1.239 101 N HN 0.479 nan 8.380 nan 0.000 0.484 102 F N 1.672 121.607 119.950 -0.026 0.000 2.456 102 F HA 0.521 5.048 4.527 -0.000 0.000 0.358 102 F C 1.061 176.856 175.800 -0.007 0.000 1.095 102 F CA -0.196 57.788 58.000 -0.027 0.000 1.216 102 F CB 0.428 39.402 39.000 -0.044 0.000 1.125 102 F HN 0.450 nan 8.300 nan 0.000 0.549 103 A N 1.733 124.688 122.820 0.225 0.000 2.470 103 A HA 0.876 5.196 4.320 -0.000 0.000 0.271 103 A C -0.877 176.810 177.584 0.171 0.000 1.269 103 A CA -0.682 51.461 52.037 0.176 0.000 0.828 103 A CB 1.070 20.189 19.000 0.198 0.000 1.374 103 A HN 0.523 nan 8.150 nan 0.000 0.454 104 T N 1.084 115.707 114.554 0.115 0.000 2.815 104 T HA 0.519 4.868 4.350 -0.000 0.000 0.289 104 T C -1.189 173.520 174.700 0.014 0.000 1.000 104 T CA -0.049 62.091 62.100 0.066 0.000 0.958 104 T CB 0.707 69.592 68.868 0.028 0.000 0.944 104 T HN 0.616 nan 8.240 nan 0.000 0.442 105 L N 4.499 125.711 121.223 -0.017 0.000 2.333 105 L HA 0.704 5.044 4.340 -0.000 0.000 0.280 105 L C -0.520 176.289 176.870 -0.102 0.000 1.004 105 L CA -0.264 54.480 54.840 -0.160 0.000 0.820 105 L CB 0.924 42.729 42.059 -0.424 0.000 1.247 105 L HN 0.770 nan 8.230 nan 0.000 0.416 106 E N 2.703 122.844 120.200 -0.098 0.000 2.321 106 E HA 0.559 4.909 4.350 -0.000 0.000 0.278 106 E C -1.632 174.929 176.600 -0.066 0.000 0.902 106 E CA -0.873 55.487 56.400 -0.066 0.000 0.758 106 E CB 1.518 31.193 29.700 -0.042 0.000 1.213 106 E HN 0.673 nan 8.360 nan 0.000 0.426 128 R N -1.088 119.393 120.500 -0.033 0.000 3.656 128 R HA -0.159 4.181 4.340 -0.000 0.000 0.297 128 R C 0.501 176.774 176.300 -0.046 0.000 1.166 128 R CA 0.972 57.044 56.100 -0.047 0.000 0.799 128 R CB -2.968 27.314 30.300 -0.028 0.000 1.285 128 R HN 1.850 nan 8.270 nan 0.000 0.477 129 A N 0.817 123.610 122.820 -0.045 0.000 2.639 129 A HA 0.088 4.407 4.320 -0.000 0.000 0.229 129 A C 1.208 178.769 177.584 -0.038 0.000 1.062 129 A CA 0.386 52.393 52.037 -0.049 0.000 0.761 129 A CB 0.214 19.178 19.000 -0.060 0.000 0.988 129 A HN 0.267 nan 8.150 nan 0.000 0.510 130 I N 0.984 121.533 120.570 -0.034 0.000 2.720 130 I HA 0.023 4.193 4.170 -0.000 0.000 0.287 130 I C 1.677 177.795 176.117 0.001 0.000 1.090 130 I CA 0.358 61.650 61.300 -0.014 0.000 1.384 130 I CB 0.657 38.650 38.000 -0.012 0.000 1.420 130 I HN 0.990 nan 8.210 nan 0.000 0.575 131 Q N 2.178 121.991 119.800 0.021 0.000 2.170 131 Q HA -0.210 4.130 4.340 -0.000 0.000 0.203 131 Q C 1.683 177.708 176.000 0.043 0.000 0.976 131 Q CA 1.675 57.505 55.803 0.046 0.000 0.858 131 Q CB 0.213 28.981 28.738 0.049 0.000 0.907 131 Q HN 0.638 nan 8.270 nan 0.000 0.433 132 E N -0.152 120.064 120.200 0.026 0.000 2.170 132 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 132 E C 1.397 178.001 176.600 0.006 0.000 0.981 132 E CA 0.523 56.938 56.400 0.025 0.000 0.830 132 E CB 0.235 29.950 29.700 0.024 0.000 0.775 132 E HN 0.313 nan 8.360 nan 0.000 0.470 133 E N -0.453 119.734 120.200 -0.021 0.000 2.204 133 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 133 E C 1.838 178.345 176.600 -0.156 0.000 0.989 133 E CA 0.684 57.039 56.400 -0.075 0.000 0.824 133 E CB 0.338 29.983 29.700 -0.092 0.000 0.756 133 E HN 0.088 nan 8.360 nan 0.000 0.477 134 V N 1.042 120.907 119.914 -0.082 0.000 2.488 134 V HA -0.185 3.934 4.120 -0.000 0.000 0.246 134 V C 2.018 178.162 176.094 0.084 0.000 1.046 134 V CA 1.668 63.960 62.300 -0.013 0.000 1.053 134 V CB -0.210 31.775 31.823 0.270 0.000 0.679 134 V HN 0.376 nan 8.190 nan 0.000 0.458 135 D N -0.004 120.438 120.400 0.071 0.000 2.117 135 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 135 D C 2.139 178.476 176.300 0.062 0.000 0.987 135 D CA 1.364 55.416 54.000 0.085 0.000 0.829 135 D CB 0.172 41.014 40.800 0.071 0.000 0.961 135 D HN 0.349 nan 8.370 nan 0.000 0.460 136 I N 1.378 121.957 120.570 0.014 0.000 2.233 136 I HA -0.049 4.121 4.170 -0.000 0.000 0.243 136 I C 2.483 178.519 176.117 -0.134 0.000 1.093 136 I CA 1.613 62.915 61.300 0.005 0.000 1.380 136 I CB -1.182 36.839 38.000 0.034 0.000 1.067 136 I HN 0.055 nan 8.210 nan 0.000 0.413 137 G N -0.155 108.471 108.800 -0.291 0.000 2.450 137 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 137 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 137 G C 1.739 176.597 174.900 -0.071 0.000 1.130 137 G CA 1.174 46.030 45.100 -0.408 0.000 0.760 137 G HN 0.365 nan 8.290 nan 0.000 0.557 138 V N 0.957 120.927 119.914 0.094 0.000 2.270 138 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 138 V C 2.447 178.647 176.094 0.176 0.000 1.043 138 V CA 2.314 64.737 62.300 0.205 0.000 1.014 138 V CB -0.436 31.519 31.823 0.219 0.000 0.645 138 V HN 0.526 nan 8.190 nan 0.000 0.447 139 D N -0.380 120.115 120.400 0.159 0.000 2.127 139 D HA -0.281 4.359 4.640 -0.000 0.000 0.190 139 D C 1.940 178.316 176.300 0.127 0.000 1.000 139 D CA 1.961 56.053 54.000 0.153 0.000 0.839 139 D CB -0.255 40.602 40.800 0.095 0.000 0.955 139 D HN 0.354 nan 8.370 nan 0.000 0.446 140 F N 0.098 120.053 119.950 0.009 0.000 2.202 140 F HA -0.073 4.454 4.527 -0.000 0.000 0.301 140 F C 2.247 178.070 175.800 0.037 0.000 1.082 140 F CA 0.891 58.904 58.000 0.021 0.000 1.313 140 F CB -0.115 38.863 39.000 -0.037 0.000 1.024 140 F HN 0.105 nan 8.300 nan 0.000 0.495 141 I N -1.774 118.913 120.570 0.196 0.000 2.252 141 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 141 I C 2.226 178.424 176.117 0.135 0.000 1.102 141 I CA 0.769 62.125 61.300 0.094 0.000 1.385 141 I CB -0.408 37.615 38.000 0.038 0.000 1.064 141 I HN 0.004 nan 8.210 nan 0.000 0.414 142 F N 1.756 121.737 119.950 0.051 0.000 2.126 142 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 142 F C 1.678 177.479 175.800 0.002 0.000 1.096 142 F CA 1.266 59.289 58.000 0.039 0.000 1.255 142 F CB -0.446 38.572 39.000 0.030 0.000 0.997 142 F HN -0.095 nan 8.300 nan 0.000 0.479 147 G N 3.252 112.026 108.800 -0.044 0.000 2.513 147 G HA2 0.598 4.557 3.960 -0.000 0.000 0.282 147 G HA3 0.598 4.557 3.960 -0.000 0.000 0.282 147 G C -1.121 173.878 174.900 0.165 0.000 1.397 147 G CA -0.775 44.375 45.100 0.084 0.000 1.291 147 G HN 0.845 nan 8.290 nan 0.000 0.596 148 H N 0.556 119.681 119.070 0.092 0.000 2.896 148 H HA 0.609 5.164 4.556 -0.000 0.000 0.318 148 H C 1.240 176.603 175.328 0.058 0.000 1.409 148 H CA -1.580 54.511 56.048 0.072 0.000 1.328 148 H CB 0.564 30.381 29.762 0.092 0.000 1.940 148 H HN 0.182 nan 8.280 nan 0.000 0.665 149 R N -0.088 120.448 120.500 0.059 0.000 2.153 149 R HA -0.005 4.335 4.340 -0.000 0.000 0.252 149 R C 0.516 176.767 176.300 -0.082 0.000 1.158 149 R CA 1.469 57.557 56.100 -0.021 0.000 0.975 149 R CB -1.180 29.108 30.300 -0.019 0.000 0.871 149 R HN 0.674 nan 8.270 nan 0.000 0.450 150 A N 0.288 122.933 122.820 -0.293 0.000 2.356 150 A HA 0.553 4.873 4.320 -0.000 0.000 0.323 150 A C -0.223 177.269 177.584 -0.153 0.000 1.119 150 A CA -0.679 51.239 52.037 -0.198 0.000 0.790 150 A CB 1.667 20.532 19.000 -0.224 0.000 1.273 150 A HN -0.058 nan 8.150 nan 0.000 0.452 151 V N 2.681 122.602 119.914 0.012 0.000 2.811 151 V HA 0.407 4.527 4.120 -0.000 0.000 0.302 151 V C 0.049 176.215 176.094 0.119 0.000 1.063 151 V CA -0.039 62.327 62.300 0.109 0.000 1.088 151 V CB 0.832 32.718 31.823 0.106 0.000 0.982 151 V HN 0.859 nan 8.190 nan 0.000 0.485 152 L N 3.767 125.117 121.223 0.212 0.000 2.469 152 L HA 0.814 5.154 4.340 -0.000 0.000 0.256 152 L C -0.984 175.963 176.870 0.127 0.000 1.006 152 L CA -0.856 54.058 54.840 0.122 0.000 0.832 152 L CB 1.395 43.501 42.059 0.078 0.000 1.421 152 L HN 0.314 nan 8.230 nan 0.000 0.410 153 V N 2.312 122.203 119.914 -0.039 0.000 2.495 153 V HA 0.622 4.741 4.120 -0.000 0.000 0.298 153 V C -0.534 175.207 176.094 -0.588 0.000 1.031 153 V CA -0.429 61.792 62.300 -0.130 0.000 0.871 153 V CB 1.954 33.892 31.823 0.192 0.000 0.988 153 V HN 0.681 nan 8.190 nan 0.000 0.432 154 L N 5.078 125.529 121.223 -1.286 0.000 2.406 154 L HA 0.633 4.973 4.340 -0.000 0.000 0.270 154 L C -0.580 176.120 176.870 -0.283 0.000 0.982 154 L CA 0.007 54.475 54.840 -0.619 0.000 0.843 154 L CB 1.174 42.929 42.059 -0.507 0.000 1.225 154 L HN 0.674 nan 8.230 nan 0.000 0.412 155 K N 3.033 123.395 120.400 -0.064 0.000 2.427 155 K HA 0.756 5.075 4.320 -0.000 0.000 0.252 155 K C -0.225 176.414 176.600 0.064 0.000 0.931 155 K CA -0.703 55.626 56.287 0.071 0.000 0.793 155 K CB 1.772 34.333 32.500 0.101 0.000 1.211 155 K HN 0.682 nan 8.250 nan 0.000 0.426 156 G N 2.903 111.772 108.800 0.114 0.000 2.503 156 G HA2 0.281 4.241 3.960 -0.000 0.000 0.257 156 G HA3 0.281 4.241 3.960 -0.000 0.000 0.257 156 G C 0.478 175.442 174.900 0.106 0.000 1.214 156 G CA -0.470 44.712 45.100 0.136 0.000 0.839 156 G HN 0.794 nan 8.290 nan 0.000 0.559 157 M N -0.254 119.417 119.600 0.118 0.000 3.207 157 M HA 0.518 4.997 4.480 -0.000 0.000 0.202 157 M C 0.260 176.633 176.300 0.121 0.000 1.730 157 M CA 0.061 55.420 55.300 0.099 0.000 1.461 157 M CB 0.594 33.240 32.600 0.076 0.000 1.013 157 M HN 0.323 nan 8.290 nan 0.000 0.592 158 S N -0.300 115.512 115.700 0.187 0.000 2.537 158 S HA 0.603 5.073 4.470 -0.000 0.000 0.270 158 S C -0.827 173.915 174.600 0.237 0.000 1.142 158 S CA -0.845 57.467 58.200 0.188 0.000 0.870 158 S CB 2.612 65.910 63.200 0.164 0.000 1.112 158 S HN 0.601 nan 8.310 nan 0.000 0.466 159 R N 0.367 120.934 120.500 0.111 0.000 3.794 159 R HA -0.230 4.110 4.340 -0.000 0.000 0.485 159 R C 1.192 177.466 176.300 -0.042 0.000 0.241 159 R CA 1.194 57.292 56.100 -0.003 0.000 1.522 159 R CB -1.482 28.772 30.300 -0.077 0.000 0.988 159 R HN 0.897 nan 8.270 nan 0.000 0.570 160 G N -0.146 108.500 108.800 -0.257 0.000 3.124 160 G HA2 0.172 4.132 3.960 -0.000 0.000 0.212 160 G HA3 0.172 4.132 3.960 -0.000 0.000 0.212 160 G C -0.180 174.659 174.900 -0.101 0.000 1.181 160 G CA 0.152 45.201 45.100 -0.084 0.000 0.803 160 G HN 0.241 nan 8.290 nan 0.000 0.529 161 Y N -0.327 120.023 120.300 0.083 0.000 2.344 161 Y HA 0.653 5.202 4.550 -0.000 0.000 0.330 161 Y C 0.788 176.636 175.900 -0.087 0.000 1.330 161 Y CA -0.925 57.156 58.100 -0.032 0.000 1.479 161 Y CB 0.910 39.361 38.460 -0.015 0.000 1.428 161 Y HN 0.035 nan 8.280 nan 0.000 0.544 162 K N -1.095 119.333 120.400 0.046 0.000 2.999 162 K HA 0.580 4.900 4.320 -0.000 0.000 0.295 162 K C -2.553 174.016 176.600 -0.053 0.000 1.082 162 K CA -0.580 55.675 56.287 -0.053 0.000 0.816 162 K CB 1.228 33.556 32.500 -0.287 0.000 1.492 162 K HN 0.365 nan 8.250 nan 0.000 0.362 163 V N 0.988 120.870 119.914 -0.052 0.000 2.531 163 V HA 0.632 4.752 4.120 -0.000 0.000 0.301 163 V C -0.065 175.983 176.094 -0.078 0.000 1.034 163 V CA -0.470 61.803 62.300 -0.046 0.000 0.865 163 V CB 1.581 33.383 31.823 -0.036 0.000 0.995 163 V HN 0.808 nan 8.190 nan 0.000 0.424 164 G N 1.779 110.549 108.800 -0.050 0.000 2.417 164 G HA2 0.603 4.563 3.960 -0.000 0.000 0.320 164 G HA3 0.603 4.563 3.960 -0.000 0.000 0.320 164 G C -1.438 173.472 174.900 0.016 0.000 1.204 164 G CA -0.278 44.759 45.100 -0.105 0.000 0.923 164 G HN 0.707 nan 8.290 nan 0.000 0.466 165 D N 1.161 121.520 120.400 -0.068 0.000 2.471 165 D HA 0.265 4.905 4.640 -0.000 0.000 0.245 165 D C -0.511 175.781 176.300 -0.014 0.000 1.116 165 D CA -0.615 53.373 54.000 -0.021 0.000 0.853 165 D CB 0.757 41.522 40.800 -0.058 0.000 1.123 165 D HN 0.119 nan 8.370 nan 0.000 0.540 166 N N 2.895 121.622 118.700 0.044 0.000 2.419 166 N HA 0.236 4.976 4.740 -0.000 0.000 0.264 166 N C -0.849 174.702 175.510 0.068 0.000 1.031 166 N CA -0.290 52.760 53.050 0.000 0.000 0.951 166 N CB 1.123 39.604 38.487 -0.010 0.000 1.101 166 N HN 0.480 nan 8.380 nan 0.000 0.488 167 D N 1.677 122.128 120.400 0.085 0.000 2.358 167 D HA 0.168 4.808 4.640 -0.000 0.000 0.244 167 D C -1.882 174.562 176.300 0.240 0.000 1.163 167 D CA -1.003 53.075 54.000 0.131 0.000 0.945 167 D CB 0.406 41.263 40.800 0.095 0.000 1.152 167 D HN 0.272 nan 8.370 nan 0.000 0.451 168 P HA -0.205 nan 4.420 nan 0.000 0.020 168 P C -0.839 176.406 177.300 -0.090 0.000 0.552 168 P CA 1.205 64.314 63.100 0.014 0.000 1.026 168 P CB -0.516 31.162 31.700 -0.037 0.000 1.877 169 H N -1.227 117.838 119.070 -0.009 0.000 2.567 169 H HA 0.037 4.592 4.556 -0.000 0.000 0.267 169 H C 1.608 176.923 175.328 -0.021 0.000 1.148 169 H CA -0.089 55.953 56.048 -0.010 0.000 1.031 169 H CB 0.444 30.208 29.762 0.003 0.000 1.691 169 H HN 0.211 nan 8.280 nan 0.000 0.588 170 E N 0.263 120.480 120.200 0.028 0.000 2.130 170 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 170 E C 2.077 178.655 176.600 -0.036 0.000 0.998 170 E CA 1.471 57.860 56.400 -0.018 0.000 0.806 170 E CB -0.306 29.369 29.700 -0.042 0.000 0.738 170 E HN 0.318 nan 8.360 nan 0.000 0.459 171 A N 0.974 123.772 122.820 -0.037 0.000 2.076 171 A HA 0.014 4.333 4.320 -0.000 0.000 0.220 171 A C 2.237 179.813 177.584 -0.013 0.000 1.160 171 A CA 1.315 53.329 52.037 -0.038 0.000 0.653 171 A CB -0.942 18.026 19.000 -0.052 0.000 0.801 171 A HN 0.409 nan 8.150 nan 0.000 0.455 172 G N -0.078 108.737 108.800 0.024 0.000 3.518 172 G HA2 0.208 4.168 3.960 -0.000 0.000 0.273 172 G HA3 0.208 4.168 3.960 -0.000 0.000 0.273 172 G C 0.998 175.919 174.900 0.035 0.000 1.199 172 G CA 0.399 45.530 45.100 0.052 0.000 0.899 172 G HN 0.743 nan 8.290 nan 0.000 0.533 173 K N 0.561 120.950 120.400 -0.019 0.000 2.442 173 K HA 0.008 4.328 4.320 -0.000 0.000 0.198 173 K C -1.315 175.255 176.600 -0.051 0.000 1.044 173 K CA 0.327 56.570 56.287 -0.074 0.000 0.948 173 K CB -0.183 32.243 32.500 -0.122 0.000 0.762 173 K HN 0.214 nan 8.250 nan 0.000 0.472 174 P HA 0.332 nan 4.420 nan 0.000 0.228 174 P C -2.525 174.797 177.300 0.038 0.000 1.873 174 P CA -1.186 61.918 63.100 0.006 0.000 1.033 174 P CB 0.461 32.162 31.700 0.003 0.000 1.707 186 K N 1.715 122.139 120.400 0.040 0.000 2.063 186 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 186 K C 1.979 178.603 176.600 0.041 0.000 1.048 186 K CA 1.670 57.978 56.287 0.036 0.000 0.928 186 K CB -0.209 32.308 32.500 0.029 0.000 0.713 186 K HN 0.284 nan 8.250 nan 0.000 0.442 187 K N 0.312 120.744 120.400 0.054 0.000 2.057 187 K HA -0.114 4.205 4.320 -0.000 0.000 0.207 187 K C 1.896 178.526 176.600 0.050 0.000 1.049 187 K CA 1.393 57.718 56.287 0.064 0.000 0.931 187 K CB 0.077 32.638 32.500 0.101 0.000 0.714 187 K HN -0.003 nan 8.250 nan 0.000 0.440 188 V N 0.899 120.851 119.914 0.064 0.000 2.548 188 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 188 V C 2.265 178.351 176.094 -0.014 0.000 1.055 188 V CA 1.742 64.050 62.300 0.014 0.000 1.065 188 V CB -0.334 31.542 31.823 0.089 0.000 0.681 188 V HN 0.449 nan 8.190 nan 0.000 0.462 189 A N -0.248 122.581 122.820 0.015 0.000 2.015 189 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 189 A C 2.135 179.720 177.584 0.002 0.000 1.163 189 A CA 1.568 53.607 52.037 0.003 0.000 0.646 189 A CB -0.323 18.690 19.000 0.021 0.000 0.806 189 A HN 0.643 nan 8.150 nan 0.000 0.448 190 E N -0.323 119.885 120.200 0.012 0.000 2.158 190 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 190 E C 1.764 178.381 176.600 0.029 0.000 0.982 190 E CA 0.804 57.217 56.400 0.022 0.000 0.823 190 E CB -0.191 29.525 29.700 0.026 0.000 0.766 190 E HN 0.697 nan 8.360 nan 0.000 0.468 191 I N 1.152 121.725 120.570 0.004 0.000 2.163 191 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 191 I C 2.387 178.552 176.117 0.079 0.000 1.081 191 I CA 1.006 62.320 61.300 0.024 0.000 1.353 191 I CB -0.277 37.649 38.000 -0.123 0.000 1.054 191 I HN 0.095 nan 8.210 nan 0.000 0.407 192 L N 0.371 121.568 121.223 -0.043 0.000 2.081 192 L HA -0.229 4.110 4.340 -0.000 0.000 0.212 192 L C 2.616 179.505 176.870 0.033 0.000 1.080 192 L CA 1.386 56.174 54.840 -0.087 0.000 0.754 192 L CB -0.595 41.332 42.059 -0.220 0.000 0.893 192 L HN 0.304 nan 8.230 nan 0.000 0.433 193 E N -0.221 119.996 120.200 0.029 0.000 2.152 193 E HA -0.237 4.112 4.350 -0.000 0.000 0.192 193 E C 1.981 178.616 176.600 0.058 0.000 0.983 193 E CA 0.917 57.342 56.400 0.041 0.000 0.818 193 E CB 0.080 29.802 29.700 0.035 0.000 0.758 193 E HN 0.540 nan 8.360 nan 0.000 0.467 194 E N -0.018 120.231 120.200 0.082 0.000 2.208 194 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 194 E C 1.770 178.406 176.600 0.060 0.000 0.988 194 E CA 0.376 56.823 56.400 0.079 0.000 0.828 194 E CB -0.086 29.682 29.700 0.113 0.000 0.763 194 E HN 0.123 nan 8.360 nan 0.000 0.478 195 F N 0.191 120.101 119.950 -0.066 0.000 2.206 195 F HA -0.078 4.448 4.527 -0.000 0.000 0.298 195 F C 1.841 177.538 175.800 -0.172 0.000 1.090 195 F CA 0.846 58.750 58.000 -0.161 0.000 1.323 195 F CB 0.053 38.951 39.000 -0.171 0.000 1.028 195 F HN -0.102 nan 8.300 nan 0.000 0.492 196 V N 0.486 120.368 119.914 -0.052 0.000 2.379 196 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 196 V C 2.310 178.318 176.094 -0.143 0.000 1.044 196 V CA 1.921 64.107 62.300 -0.189 0.000 1.036 196 V CB -0.604 31.115 31.823 -0.172 0.000 0.664 196 V HN 0.213 nan 8.190 nan 0.000 0.453 197 K N 0.084 120.454 120.400 -0.049 0.000 2.009 197 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 197 K C 2.319 178.869 176.600 -0.083 0.000 1.049 197 K CA 1.663 57.939 56.287 -0.018 0.000 0.929 197 K CB -0.234 32.269 32.500 0.005 0.000 0.714 197 K HN 0.329 nan 8.250 nan 0.000 0.440 198 K N 0.346 120.656 120.400 -0.150 0.000 2.026 198 K HA -0.109 4.210 4.320 -0.000 0.000 0.208 198 K C 2.215 178.656 176.600 -0.264 0.000 1.048 198 K CA 1.185 57.358 56.287 -0.191 0.000 0.929 198 K CB -0.158 32.204 32.500 -0.229 0.000 0.713 198 K HN 0.145 nan 8.250 nan 0.000 0.439 199 A N 1.261 123.809 122.820 -0.453 0.000 1.917 199 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 199 A C 2.089 179.552 177.584 -0.202 0.000 1.182 199 A CA 1.795 53.565 52.037 -0.445 0.000 0.633 199 A CB -0.671 17.944 19.000 -0.642 0.000 0.819 199 A HN 0.420 nan 8.150 nan 0.000 0.448 200 Q N -0.499 119.219 119.800 -0.137 0.000 2.112 200 Q HA -0.258 4.082 4.340 -0.000 0.000 0.206 200 Q C 1.985 177.969 176.000 -0.026 0.000 0.987 200 Q CA 1.992 57.781 55.803 -0.023 0.000 0.858 200 Q CB -0.164 28.610 28.738 0.060 0.000 0.905 200 Q HN 0.810 nan 8.270 nan 0.000 0.420 201 E N -0.676 119.497 120.200 -0.045 0.000 2.038 201 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 201 E C 2.084 178.666 176.600 -0.030 0.000 1.000 201 E CA 1.654 58.034 56.400 -0.032 0.000 0.803 201 E CB -0.031 29.648 29.700 -0.036 0.000 0.750 201 E HN 0.218 nan 8.360 nan 0.000 0.448 202 V N 1.731 121.620 119.914 -0.042 0.000 2.287 202 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 202 V C 2.416 178.495 176.094 -0.026 0.000 1.053 202 V CA 1.592 63.887 62.300 -0.009 0.000 1.027 202 V CB -0.583 31.236 31.823 -0.006 0.000 0.646 202 V HN 0.260 nan 8.190 nan 0.000 0.447 203 L N -0.321 120.877 121.223 -0.041 0.000 1.970 203 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 203 L C 2.478 179.326 176.870 -0.036 0.000 1.071 203 L CA 1.845 56.658 54.840 -0.044 0.000 0.751 203 L CB -0.604 41.445 42.059 -0.016 0.000 0.889 203 L HN 0.346 nan 8.230 nan 0.000 0.432 204 E N -0.593 119.594 120.200 -0.022 0.000 2.533 204 E HA -0.198 4.152 4.350 -0.000 0.000 0.203 204 E C 1.629 178.205 176.600 -0.039 0.000 1.101 204 E CA 0.551 56.938 56.400 -0.022 0.000 0.894 204 E CB 0.193 29.887 29.700 -0.011 0.000 0.843 204 E HN 0.302 nan 8.360 nan 0.000 0.552 205 K N -1.008 119.360 120.400 -0.052 0.000 2.474 205 K HA 0.042 4.361 4.320 -0.000 0.000 0.202 205 K C 0.417 176.930 176.600 -0.144 0.000 1.248 205 K CA -0.183 56.055 56.287 -0.081 0.000 0.946 205 K CB 0.524 32.984 32.500 -0.067 0.000 1.102 205 K HN 0.092 nan 8.250 nan 0.000 0.541 206 H N 1.830 120.737 119.070 -0.272 0.000 3.038 206 H HA -0.029 4.527 4.556 -0.000 0.000 0.338 206 H C -1.942 173.235 175.328 -0.251 0.000 1.041 206 H CA -0.707 55.111 56.048 -0.383 0.000 1.394 206 H CB 1.444 30.969 29.762 -0.396 0.000 1.357 206 H HN -0.032 nan 8.280 nan 0.000 0.600 207 P HA -0.170 nan 4.420 nan 0.000 0.215 207 P C 1.699 178.879 177.300 -0.199 0.000 1.153 207 P CA 1.209 64.094 63.100 -0.359 0.000 0.853 207 P CB 0.160 31.635 31.700 -0.376 0.000 0.788 208 I N -0.517 119.969 120.570 -0.139 0.000 2.151 208 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 208 I C 2.125 178.214 176.117 -0.047 0.000 1.080 208 I CA 1.595 62.879 61.300 -0.027 0.000 1.339 208 I CB -0.786 37.264 38.000 0.082 0.000 1.039 208 I HN -0.019 nan 8.210 nan 0.000 0.409 209 N N 0.459 119.132 118.700 -0.045 0.000 2.120 209 N HA -0.177 4.562 4.740 -0.000 0.000 0.188 209 N C 1.793 177.268 175.510 -0.059 0.000 1.024 209 N CA 1.170 54.187 53.050 -0.055 0.000 0.852 209 N CB -0.289 38.167 38.487 -0.052 0.000 1.003 209 N HN 0.344 nan 8.380 nan 0.000 0.424 210 E N 0.918 121.071 120.200 -0.078 0.000 2.051 210 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 210 E C 1.992 178.554 176.600 -0.065 0.000 0.991 210 E CA 0.614 56.968 56.400 -0.078 0.000 0.799 210 E CB -0.261 29.374 29.700 -0.108 0.000 0.748 210 E HN 0.365 nan 8.360 nan 0.000 0.449 211 R N 0.718 121.177 120.500 -0.069 0.000 2.120 211 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 211 R C 2.320 178.595 176.300 -0.042 0.000 1.123 211 R CA 1.094 57.162 56.100 -0.053 0.000 0.975 211 R CB 0.041 30.309 30.300 -0.053 0.000 0.866 211 R HN 0.023 nan 8.270 nan 0.000 0.446 212 R N -0.274 120.200 120.500 -0.044 0.000 2.066 212 R HA -0.100 4.239 4.340 -0.000 0.000 0.232 212 R C 2.465 178.746 176.300 -0.032 0.000 1.131 212 R CA 1.649 57.726 56.100 -0.037 0.000 0.955 212 R CB -0.205 30.070 30.300 -0.042 0.000 0.851 212 R HN 0.114 nan 8.270 nan 0.000 0.432 213 R N 1.125 121.605 120.500 -0.033 0.000 2.096 213 R HA -0.144 4.195 4.340 -0.000 0.000 0.235 213 R C 2.142 178.427 176.300 -0.026 0.000 1.127 213 R CA 1.635 57.718 56.100 -0.028 0.000 0.968 213 R CB -0.037 30.246 30.300 -0.029 0.000 0.861 213 R HN 0.016 nan 8.270 nan 0.000 0.440 214 K N 0.688 121.071 120.400 -0.029 0.000 2.032 214 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 214 K C 1.113 177.699 176.600 -0.023 0.000 1.048 214 K CA 1.908 58.180 56.287 -0.026 0.000 0.927 214 K CB 0.019 32.501 32.500 -0.029 0.000 0.712 214 K HN 0.284 nan 8.250 nan 0.000 0.441 215 E N -0.819 119.367 120.200 -0.023 0.000 2.512 215 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 215 E C 0.612 177.201 176.600 -0.018 0.000 1.083 215 E CA 0.349 56.737 56.400 -0.020 0.000 0.873 215 E CB 0.131 29.819 29.700 -0.021 0.000 0.897 215 E HN 0.661 nan 8.360 nan 0.000 0.514 216 G N 2.105 110.894 108.800 -0.018 0.000 2.168 216 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.263 216 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.263 216 G C 0.085 174.976 174.900 -0.016 0.000 0.977 216 G CA 0.362 45.452 45.100 -0.016 0.000 0.659 216 G HN 0.202 nan 8.290 nan 0.000 0.533 217 K N 1.421 121.811 120.400 -0.018 0.000 2.174 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.275 217 K C -2.206 174.383 176.600 -0.018 0.000 1.015 217 K CA -1.627 54.649 56.287 -0.018 0.000 0.933 217 K CB 1.296 33.783 32.500 -0.021 0.000 1.025 217 K HN 0.078 nan 8.250 nan 0.000 0.463 218 P HA 0.007 nan 4.420 nan 0.000 0.265 218 P C -0.116 177.176 177.300 -0.014 0.000 1.222 218 P CA -0.044 63.049 63.100 -0.012 0.000 0.767 218 P CB 0.033 31.729 31.700 -0.006 0.000 0.801 219 I N 0.384 120.946 120.570 -0.014 0.000 2.634 219 I HA 0.366 4.536 4.170 -0.000 0.000 0.284 219 I C 0.411 176.525 176.117 -0.005 0.000 1.124 219 I CA -0.764 60.524 61.300 -0.020 0.000 1.417 219 I CB 0.736 38.724 38.000 -0.021 0.000 1.396 219 I HN 0.233 nan 8.210 nan 0.000 0.571 220 A N 5.530 128.330 122.820 -0.034 0.000 2.990 220 A HA 0.164 4.483 4.320 -0.000 0.000 0.282 220 A C 0.764 178.357 177.584 0.014 0.000 1.688 220 A CA -0.541 51.487 52.037 -0.014 0.000 1.391 220 A CB -0.956 17.941 19.000 -0.172 0.000 1.112 220 A HN 0.883 nan 8.150 nan 0.000 0.588 221 N N 0.173 118.920 118.700 0.079 0.000 2.184 221 N HA 0.064 4.804 4.740 -0.000 0.000 0.206 221 N C -0.513 175.117 175.510 0.200 0.000 1.151 221 N CA 0.064 53.171 53.050 0.094 0.000 0.878 221 N CB 0.099 38.623 38.487 0.062 0.000 1.014 221 N HN 0.460 nan 8.380 nan 0.000 0.512 222 Y N 0.575 120.910 120.300 0.058 0.000 2.570 222 Y HA 0.597 5.146 4.550 -0.000 0.000 0.345 222 Y C -1.070 174.877 175.900 0.079 0.000 1.014 222 Y CA -1.286 56.843 58.100 0.047 0.000 1.063 222 Y CB 1.744 40.219 38.460 0.024 0.000 1.272 222 Y HN -0.144 nan 8.280 nan 0.000 0.477 223 L N 5.858 126.730 121.223 -0.586 0.000 2.319 223 L HA 0.441 4.780 4.340 -0.000 0.000 0.281 223 L C -1.252 175.402 176.870 -0.360 0.000 1.005 223 L CA -0.678 53.938 54.840 -0.374 0.000 0.828 223 L CB 1.288 43.159 42.059 -0.313 0.000 1.227 223 L HN 0.477 nan 8.230 nan 0.000 0.415 224 L N 5.626 126.763 121.223 -0.144 0.000 2.255 224 L HA 0.492 4.832 4.340 -0.000 0.000 0.289 224 L C -0.293 176.529 176.870 -0.080 0.000 1.046 224 L CA -0.285 54.523 54.840 -0.053 0.000 0.816 224 L CB 1.246 43.327 42.059 0.037 0.000 1.197 224 L HN 0.501 nan 8.230 nan 0.000 0.427 225 I N 5.123 125.635 120.570 -0.095 0.000 2.354 225 I HA 0.508 4.678 4.170 -0.000 0.000 0.292 225 I C 0.111 176.225 176.117 -0.004 0.000 0.989 225 I CA -0.479 60.757 61.300 -0.108 0.000 1.188 225 I CB 1.254 39.076 38.000 -0.297 0.000 1.342 225 I HN 0.708 nan 8.210 nan 0.000 0.457 226 R N 3.131 123.689 120.500 0.097 0.000 2.909 226 R HA 0.642 4.982 4.340 -0.000 0.000 0.262 226 R C 0.142 176.559 176.300 0.195 0.000 1.095 226 R CA -0.670 55.520 56.100 0.150 0.000 0.965 226 R CB 0.770 31.123 30.300 0.088 0.000 1.300 226 R HN 0.641 nan 8.270 nan 0.000 0.442 227 G N -0.054 108.823 108.800 0.129 0.000 2.338 227 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.296 227 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.296 227 G C 0.334 175.219 174.900 -0.026 0.000 1.040 227 G CA 0.293 45.437 45.100 0.074 0.000 1.004 227 G HN 0.952 nan 8.290 nan 0.000 0.509 228 A N -0.381 122.404 122.820 -0.058 0.000 2.546 228 A HA 0.639 4.958 4.320 -0.000 0.000 0.243 228 A C 1.106 178.463 177.584 -0.379 0.000 1.063 228 A CA 1.213 52.988 52.037 -0.437 0.000 0.757 228 A CB 0.686 19.548 19.000 -0.231 0.000 0.991 228 A HN 2.112 nan 8.150 nan 0.000 0.503 229 G N 0.622 109.137 108.800 -0.477 0.000 2.718 229 G HA2 0.669 4.629 3.960 -0.000 0.000 0.295 229 G HA3 0.669 4.629 3.960 -0.000 0.000 0.295 229 G C -0.445 174.293 174.900 -0.269 0.000 1.421 229 G CA 0.230 45.116 45.100 -0.356 0.000 0.902 229 G HN 1.342 nan 8.290 nan 0.000 0.501 230 T N -1.824 112.535 114.554 -0.326 0.000 2.807 230 T HA 0.645 4.994 4.350 -0.000 0.000 0.277 230 T C -0.414 173.806 174.700 -0.801 0.000 1.006 230 T CA -0.803 61.099 62.100 -0.329 0.000 1.006 230 T CB 1.381 70.088 68.868 -0.268 0.000 1.274 230 T HN 0.647 nan 8.240 nan 0.000 0.569 231 Y N 3.251 122.768 120.300 -1.304 0.000 2.497 231 Y HA 0.358 4.908 4.550 -0.000 0.000 0.334 231 Y C -2.058 173.419 175.900 -0.705 0.000 1.199 231 Y CA -1.707 55.529 58.100 -1.439 0.000 1.425 231 Y CB 0.514 38.331 38.460 -1.071 0.000 1.291 231 Y HN 0.452 nan 8.280 nan 0.000 0.562 232 P HA -0.047 nan 4.420 nan 0.000 0.271 232 P C -1.006 176.061 177.300 -0.389 0.000 1.216 232 P CA -0.072 62.682 63.100 -0.577 0.000 0.776 232 P CB 0.480 31.956 31.700 -0.374 0.000 0.881 233 N N 3.222 121.810 118.700 -0.186 0.000 2.819 233 N HA 0.108 4.848 4.740 -0.000 0.000 0.284 233 N C -0.002 175.465 175.510 -0.071 0.000 1.196 233 N CA -0.429 52.572 53.050 -0.082 0.000 1.114 233 N CB -0.619 37.841 38.487 -0.044 0.000 1.437 233 N HN 0.358 nan 8.380 nan 0.000 0.518 234 I N -0.155 120.358 120.570 -0.096 0.000 2.441 234 I HA 0.494 4.663 4.170 -0.000 0.000 0.295 234 I C -1.890 174.247 176.117 0.033 0.000 0.994 234 I CA -2.145 59.101 61.300 -0.091 0.000 1.144 234 I CB 1.600 39.385 38.000 -0.359 0.000 1.314 234 I HN 0.079 nan 8.210 nan 0.000 0.445 235 P HA -0.086 nan 4.420 nan 0.000 0.210 235 P C 0.038 177.378 177.300 0.066 0.000 1.185 235 P CA 1.538 64.675 63.100 0.062 0.000 0.924 235 P CB 0.062 31.797 31.700 0.058 0.000 0.786 236 M N -4.346 115.314 119.600 0.100 0.000 2.664 236 M HA 0.481 4.961 4.480 -0.000 0.000 0.279 236 M C -1.026 175.376 176.300 0.168 0.000 1.275 236 M CA -1.211 54.142 55.300 0.089 0.000 0.829 236 M CB 2.379 34.991 32.600 0.019 0.000 1.727 236 M HN -0.410 nan 8.290 nan 0.000 0.459 237 K N 0.216 120.708 120.400 0.153 0.000 2.180 237 K HA 0.213 4.533 4.320 -0.000 0.000 0.251 237 K C 0.280 177.036 176.600 0.259 0.000 1.014 237 K CA -0.286 56.138 56.287 0.228 0.000 0.913 237 K CB 0.874 33.477 32.500 0.173 0.000 1.008 237 K HN 0.618 nan 8.250 nan 0.000 0.490 238 F N 2.252 122.322 119.950 0.200 0.000 2.065 238 F HA -0.314 4.213 4.527 -0.000 0.000 0.298 238 F C 2.535 178.381 175.800 0.075 0.000 1.112 238 F CA 2.640 60.744 58.000 0.173 0.000 1.212 238 F CB -0.527 38.522 39.000 0.081 0.000 0.975 238 F HN 0.796 nan 8.300 nan 0.000 0.476 239 T N -1.005 113.672 114.554 0.205 0.000 2.653 239 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 239 T C 1.684 176.406 174.700 0.037 0.000 1.035 239 T CA 1.802 63.965 62.100 0.104 0.000 1.154 239 T CB -1.069 67.847 68.868 0.080 0.000 0.862 239 T HN 0.703 nan 8.240 nan 0.000 0.441 240 E N 1.131 121.340 120.200 0.015 0.000 2.112 240 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 240 E C 2.496 179.024 176.600 -0.121 0.000 0.979 240 E CA 0.719 57.102 56.400 -0.029 0.000 0.814 240 E CB -0.452 29.239 29.700 -0.014 0.000 0.762 240 E HN 0.666 nan 8.360 nan 0.000 0.460 241 Q N 0.303 119.979 119.800 -0.208 0.000 2.077 241 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 241 Q C 1.015 176.615 176.000 -0.667 0.000 0.989 241 Q CA 2.153 57.661 55.803 -0.491 0.000 0.853 241 Q CB -0.119 28.225 28.738 -0.655 0.000 0.907 241 Q HN 0.516 nan 8.270 nan 0.000 0.418 242 W N 0.152 121.267 121.300 -0.308 0.000 3.220 242 W HA 0.308 4.968 4.660 -0.000 0.000 0.328 242 W C -0.277 176.146 176.519 -0.159 0.000 1.205 242 W CA -0.464 56.708 57.345 -0.289 0.000 1.773 242 W CB 0.706 29.863 29.460 -0.505 0.000 1.086 242 W HN -0.042 nan 8.180 nan 0.000 0.622 243 K N 0.578 120.997 120.400 0.032 0.000 3.393 243 K HA -0.141 4.179 4.320 -0.000 0.000 0.272 243 K C -0.543 176.108 176.600 0.084 0.000 1.004 243 K CA 0.662 56.975 56.287 0.044 0.000 0.764 243 K CB -2.231 30.288 32.500 0.032 0.000 1.373 243 K HN 0.140 nan 8.250 nan 0.000 0.458 244 V N -3.394 116.582 119.914 0.105 0.000 3.159 244 V HA 0.563 4.683 4.120 -0.000 0.000 0.308 244 V C -0.582 175.611 176.094 0.165 0.000 1.190 244 V CA -1.371 61.016 62.300 0.146 0.000 1.037 244 V CB 2.211 34.152 31.823 0.196 0.000 1.060 244 V HN 0.202 nan 8.190 nan 0.000 0.437 245 K N 1.512 122.037 120.400 0.208 0.000 2.211 245 K HA 0.827 5.146 4.320 -0.000 0.000 0.275 245 K C -0.441 176.426 176.600 0.445 0.000 1.024 245 K CA -0.096 56.361 56.287 0.283 0.000 0.887 245 K CB 1.796 34.397 32.500 0.168 0.000 1.084 245 K HN 1.136 nan 8.250 nan 0.000 0.463 246 A N 2.088 125.097 122.820 0.314 0.000 2.343 246 A HA 0.773 5.093 4.320 -0.000 0.000 0.308 246 A C -1.120 176.427 177.584 -0.062 0.000 1.092 246 A CA -0.619 51.464 52.037 0.077 0.000 0.751 246 A CB 1.426 20.075 19.000 -0.585 0.000 1.203 246 A HN 0.720 nan 8.150 nan 0.000 0.452 247 A N 1.272 124.035 122.820 -0.094 0.000 2.423 247 A HA 0.964 5.284 4.320 -0.000 0.000 0.304 247 A C 0.026 177.779 177.584 0.281 0.000 1.104 247 A CA -0.205 51.726 52.037 -0.176 0.000 0.757 247 A CB 1.779 20.169 19.000 -1.018 0.000 1.313 247 A HN 2.026 nan 8.150 nan 0.000 0.423 248 G N -0.573 108.417 108.800 0.316 0.000 2.662 248 G HA2 0.545 4.504 3.960 -0.000 0.000 0.302 248 G HA3 0.545 4.504 3.960 -0.000 0.000 0.302 248 G C -1.488 173.543 174.900 0.218 0.000 1.389 248 G CA -0.389 44.888 45.100 0.296 0.000 0.998 248 G HN 0.873 nan 8.290 nan 0.000 0.502 249 V N 3.244 123.214 119.914 0.093 0.000 2.320 249 V HA 0.486 4.606 4.120 -0.000 0.000 0.265 249 V C -0.076 176.037 176.094 0.033 0.000 1.048 249 V CA -0.137 62.203 62.300 0.067 0.000 0.865 249 V CB -0.112 31.712 31.823 0.002 0.000 1.043 249 V HN 0.542 nan 8.190 nan 0.000 0.474 250 I N 2.811 123.422 120.570 0.068 0.000 2.802 250 I HA 0.669 4.838 4.170 -0.000 0.000 0.298 250 I C 0.621 176.751 176.117 0.023 0.000 1.176 250 I CA -0.610 60.712 61.300 0.036 0.000 1.025 250 I CB 2.242 40.257 38.000 0.025 0.000 1.243 250 I HN 0.493 nan 8.210 nan 0.000 0.424 251 A N 3.631 126.454 122.820 0.005 0.000 1.993 251 A HA 0.345 4.665 4.320 -0.000 0.000 0.202 251 A C 0.606 178.167 177.584 -0.038 0.000 1.461 251 A CA 0.194 52.229 52.037 -0.002 0.000 0.824 251 A CB -0.033 18.973 19.000 0.010 0.000 1.024 251 A HN 0.395 nan 8.150 nan 0.000 0.507 252 V N 1.483 121.354 119.914 -0.072 0.000 2.617 252 V HA 0.211 4.331 4.120 -0.000 0.000 0.304 252 V C 1.847 177.876 176.094 -0.107 0.000 1.040 252 V CA 0.318 62.560 62.300 -0.097 0.000 1.149 252 V CB 0.220 31.967 31.823 -0.126 0.000 0.914 252 V HN 0.576 nan 8.190 nan 0.000 0.487 253 A N 4.867 127.644 122.820 -0.072 0.000 1.859 253 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 253 A C 1.918 179.468 177.584 -0.056 0.000 1.198 253 A CA 2.109 54.114 52.037 -0.053 0.000 0.629 253 A CB -0.619 18.358 19.000 -0.037 0.000 0.830 253 A HN 0.839 nan 8.150 nan 0.000 0.446 254 L N -0.091 121.092 121.223 -0.067 0.000 2.081 254 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 254 L C 2.344 179.139 176.870 -0.126 0.000 1.080 254 L CA 2.033 56.845 54.840 -0.046 0.000 0.754 254 L CB -0.444 41.592 42.059 -0.038 0.000 0.893 254 L HN 0.176 nan 8.230 nan 0.000 0.433 255 V N -0.914 118.855 119.914 -0.241 0.000 2.591 255 V HA -0.191 3.928 4.120 -0.000 0.000 0.249 255 V C 2.436 178.398 176.094 -0.220 0.000 1.053 255 V CA 1.516 63.577 62.300 -0.399 0.000 1.068 255 V CB -0.579 30.785 31.823 -0.765 0.000 0.689 255 V HN 0.432 nan 8.190 nan 0.000 0.462 256 K N 0.631 120.950 120.400 -0.136 0.000 2.097 256 K HA -0.075 4.244 4.320 -0.000 0.000 0.206 256 K C 2.256 178.847 176.600 -0.014 0.000 1.049 256 K CA 1.399 57.653 56.287 -0.055 0.000 0.933 256 K CB -0.561 31.919 32.500 -0.034 0.000 0.717 256 K HN 0.535 nan 8.250 nan 0.000 0.442 257 G N 1.086 109.895 108.800 0.016 0.000 2.433 257 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 257 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 257 G C 1.599 176.624 174.900 0.209 0.000 1.186 257 G CA 0.733 45.916 45.100 0.138 0.000 0.779 257 G HN 0.081 nan 8.290 nan 0.000 0.543 258 V N 1.741 121.662 119.914 0.012 0.000 2.287 258 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 258 V C 3.368 179.412 176.094 -0.084 0.000 1.053 258 V CA 2.132 64.337 62.300 -0.158 0.000 1.027 258 V CB -1.021 30.561 31.823 -0.403 0.000 0.646 258 V HN 0.484 nan 8.190 nan 0.000 0.447 259 A N -0.259 122.452 122.820 -0.182 0.000 1.908 259 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 259 A C 2.382 179.915 177.584 -0.085 0.000 1.181 259 A CA 2.165 53.933 52.037 -0.449 0.000 0.627 259 A CB -0.539 18.224 19.000 -0.395 0.000 0.818 259 A HN 0.509 nan 8.150 nan 0.000 0.445 260 R N -0.796 119.725 120.500 0.036 0.000 2.073 260 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 260 R C 2.532 178.944 176.300 0.187 0.000 1.134 260 R CA 1.198 57.370 56.100 0.121 0.000 0.952 260 R CB -0.472 29.895 30.300 0.112 0.000 0.850 260 R HN 0.517 nan 8.270 nan 0.000 0.433 261 A N 0.763 123.723 122.820 0.234 0.000 1.917 261 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 261 A C 2.148 179.853 177.584 0.201 0.000 1.182 261 A CA 1.924 54.138 52.037 0.294 0.000 0.633 261 A CB -0.616 18.543 19.000 0.266 0.000 0.819 261 A HN 0.300 nan 8.150 nan 0.000 0.448 262 V N -4.010 115.971 119.914 0.113 0.000 3.623 262 V HA 0.524 4.643 4.120 -0.000 0.000 0.271 262 V C 1.264 177.495 176.094 0.228 0.000 1.248 262 V CA 0.897 63.287 62.300 0.150 0.000 1.156 262 V CB -0.690 31.234 31.823 0.168 0.000 0.870 262 V HN 1.555 nan 8.190 nan 0.000 0.453 263 G N -0.763 108.155 108.800 0.196 0.000 2.154 263 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.186 263 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.186 263 G C -0.360 174.571 174.900 0.051 0.000 1.000 263 G CA -0.149 45.031 45.100 0.133 0.000 0.664 263 G HN 0.432 nan 8.290 nan 0.000 0.513 264 F N 1.408 121.326 119.950 -0.053 0.000 2.382 264 F HA 0.497 5.024 4.527 -0.000 0.000 0.331 264 F C 0.503 176.293 175.800 -0.018 0.000 1.121 264 F CA -0.510 57.458 58.000 -0.054 0.000 1.183 264 F CB 0.831 39.730 39.000 -0.169 0.000 1.207 264 F HN -0.110 nan 8.300 nan 0.000 0.555 265 D N 2.058 122.551 120.400 0.155 0.000 2.456 265 D HA 0.222 4.862 4.640 -0.000 0.000 0.219 265 D C -0.469 175.795 176.300 -0.061 0.000 1.126 265 D CA 0.014 54.032 54.000 0.030 0.000 0.890 265 D CB 0.958 41.828 40.800 0.116 0.000 1.025 265 D HN 0.027 nan 8.370 nan 0.000 0.511 266 V N 3.192 123.053 119.914 -0.089 0.000 2.614 266 V HA 0.128 4.247 4.120 -0.000 0.000 0.291 266 V C -0.256 175.680 176.094 -0.264 0.000 1.049 266 V CA -0.031 62.234 62.300 -0.059 0.000 1.038 266 V CB 0.088 31.907 31.823 -0.006 0.000 0.980 266 V HN 0.333 nan 8.190 nan 0.000 0.481 267 Y N 1.483 121.802 120.300 0.032 0.000 2.462 267 Y HA 0.575 5.125 4.550 -0.000 0.000 0.346 267 Y C 0.411 176.323 175.900 0.021 0.000 0.976 267 Y CA -0.801 57.316 58.100 0.027 0.000 1.044 267 Y CB 2.411 40.884 38.460 0.021 0.000 1.230 267 Y HN 0.501 nan 8.280 nan 0.000 0.455 268 T N 4.617 119.272 114.554 0.168 0.000 3.068 268 T HA 0.287 4.637 4.350 -0.000 0.000 0.364 268 T C -2.586 172.173 174.700 0.098 0.000 1.161 268 T CA -1.230 60.931 62.100 0.101 0.000 1.155 268 T CB 0.502 69.404 68.868 0.057 0.000 1.060 268 T HN 0.335 nan 8.240 nan 0.000 0.513 269 P HA 0.185 nan 4.420 nan 0.000 0.271 269 P C -0.241 177.086 177.300 0.044 0.000 1.233 269 P CA -0.413 62.725 63.100 0.062 0.000 0.789 269 P CB 0.849 32.570 31.700 0.035 0.000 0.951 270 E N 0.205 120.426 120.200 0.034 0.000 2.493 270 E HA 0.198 4.547 4.350 -0.000 0.000 0.255 270 E C 1.341 177.953 176.600 0.021 0.000 0.999 270 E CA 1.261 57.677 56.400 0.027 0.000 0.934 270 E CB -0.208 29.505 29.700 0.021 0.000 0.940 270 E HN 0.838 nan 8.360 nan 0.000 0.473 271 G N 2.520 111.334 108.800 0.024 0.000 2.259 271 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 271 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 271 G C 0.438 175.357 174.900 0.031 0.000 1.001 271 G CA -0.095 45.019 45.100 0.024 0.000 0.627 271 G HN 0.769 nan 8.290 nan 0.000 0.501 272 A N 1.262 124.103 122.820 0.034 0.000 2.395 272 A HA 0.647 4.967 4.320 -0.000 0.000 0.286 272 A C 1.349 178.947 177.584 0.025 0.000 1.193 272 A CA 1.580 53.640 52.037 0.038 0.000 0.852 272 A CB 0.102 19.130 19.000 0.046 0.000 1.118 272 A HN 1.435 nan 8.150 nan 0.000 0.524 273 T N -0.827 113.735 114.554 0.012 0.000 2.975 273 T HA 0.416 4.766 4.350 -0.000 0.000 0.257 273 T C 1.304 175.984 174.700 -0.033 0.000 1.003 273 T CA 0.968 63.066 62.100 -0.004 0.000 0.932 273 T CB 0.078 68.945 68.868 -0.001 0.000 1.087 273 T HN 2.182 nan 8.240 nan 0.000 0.512 274 G N 1.214 109.983 108.800 -0.053 0.000 2.153 274 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.252 274 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.252 274 G C -0.268 174.527 174.900 -0.176 0.000 0.994 274 G CA 0.405 45.444 45.100 -0.101 0.000 0.698 274 G HN 0.686 nan 8.290 nan 0.000 0.521 275 E N -2.028 118.073 120.200 -0.165 0.000 2.393 275 E HA 0.542 4.892 4.350 -0.000 0.000 0.265 275 E C 0.486 176.992 176.600 -0.158 0.000 0.941 275 E CA -1.267 54.986 56.400 -0.246 0.000 0.801 275 E CB 0.678 30.284 29.700 -0.157 0.000 1.313 275 E HN -0.030 nan 8.360 nan 0.000 0.435 276 Y N 1.303 121.583 120.300 -0.033 0.000 2.283 276 Y HA -0.253 4.297 4.550 -0.000 0.000 0.285 276 Y C 1.907 177.820 175.900 0.022 0.000 1.176 276 Y CA 1.560 59.657 58.100 -0.005 0.000 1.229 276 Y CB -0.602 37.866 38.460 0.014 0.000 0.975 276 Y HN 0.503 nan 8.280 nan 0.000 0.537 277 N N -0.582 118.209 118.700 0.151 0.000 2.322 277 N HA -0.023 4.717 4.740 -0.000 0.000 0.194 277 N C -0.006 175.551 175.510 0.079 0.000 1.126 277 N CA 0.243 53.357 53.050 0.107 0.000 0.845 277 N CB -0.387 38.149 38.487 0.083 0.000 0.976 277 N HN 0.094 nan 8.380 nan 0.000 0.475 278 T N 1.800 116.398 114.554 0.074 0.000 2.906 278 T HA -0.059 4.291 4.350 -0.000 0.000 0.320 278 T C 0.258 175.017 174.700 0.099 0.000 1.088 278 T CA 0.062 62.206 62.100 0.072 0.000 1.120 278 T CB 0.543 69.446 68.868 0.060 0.000 1.000 278 T HN 0.184 nan 8.240 nan 0.000 0.550 279 N N 2.351 121.095 118.700 0.074 0.000 2.645 279 N HA 0.013 4.753 4.740 -0.000 0.000 0.233 279 N C 1.380 176.925 175.510 0.059 0.000 1.058 279 N CA -0.348 52.733 53.050 0.053 0.000 0.942 279 N CB 0.665 39.163 38.487 0.019 0.000 1.210 279 N HN 0.696 nan 8.380 nan 0.000 0.512 280 E N 3.463 123.716 120.200 0.089 0.000 2.106 280 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 280 E C 0.945 177.511 176.600 -0.056 0.000 0.984 280 E CA 0.829 57.262 56.400 0.056 0.000 0.806 280 E CB -0.064 29.636 29.700 0.000 0.000 0.750 280 E HN 0.443 nan 8.360 nan 0.000 0.458 281 M N 1.020 120.563 119.600 -0.094 0.000 2.374 281 M HA 0.047 4.526 4.480 -0.000 0.000 0.264 281 M C 2.305 178.457 176.300 -0.246 0.000 1.067 281 M CA 1.280 56.453 55.300 -0.212 0.000 1.103 281 M CB -1.076 31.394 32.600 -0.216 0.000 1.402 281 M HN 0.265 nan 8.290 nan 0.000 0.444 282 A N 0.180 122.923 122.820 -0.127 0.000 1.968 282 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 282 A C 2.318 179.859 177.584 -0.071 0.000 1.169 282 A CA 1.239 53.217 52.037 -0.099 0.000 0.638 282 A CB -0.345 18.630 19.000 -0.042 0.000 0.812 282 A HN 0.430 nan 8.150 nan 0.000 0.446 283 K N -0.219 120.156 120.400 -0.042 0.000 2.057 283 K HA 0.002 4.322 4.320 -0.000 0.000 0.206 283 K C 2.306 178.886 176.600 -0.035 0.000 1.050 283 K CA 1.020 57.296 56.287 -0.019 0.000 0.935 283 K CB -0.262 32.248 32.500 0.017 0.000 0.715 283 K HN 0.421 nan 8.250 nan 0.000 0.439 284 A N 1.987 124.775 122.820 -0.053 0.000 1.873 284 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 284 A C 2.085 179.715 177.584 0.076 0.000 1.186 284 A CA 1.355 53.407 52.037 0.025 0.000 0.616 284 A CB -0.340 18.702 19.000 0.070 0.000 0.823 284 A HN 0.064 nan 8.150 nan 0.000 0.442 285 K N 0.203 120.545 120.400 -0.097 0.000 2.044 285 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 285 K C 2.027 178.628 176.600 0.001 0.000 1.049 285 K CA 2.240 58.502 56.287 -0.041 0.000 0.927 285 K CB -0.261 32.127 32.500 -0.188 0.000 0.713 285 K HN 0.306 nan 8.250 nan 0.000 0.443 286 K N 0.581 120.959 120.400 -0.036 0.000 2.057 286 K HA -0.007 4.312 4.320 -0.000 0.000 0.206 286 K C 1.894 178.458 176.600 -0.060 0.000 1.050 286 K CA 1.585 57.839 56.287 -0.056 0.000 0.935 286 K CB -0.628 31.838 32.500 -0.057 0.000 0.715 286 K HN 0.194 nan 8.250 nan 0.000 0.439 287 A N 0.175 122.975 122.820 -0.032 0.000 1.892 287 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 287 A C 2.314 179.890 177.584 -0.013 0.000 1.188 287 A CA 2.124 54.142 52.037 -0.032 0.000 0.631 287 A CB -0.954 18.032 19.000 -0.024 0.000 0.822 287 A HN 0.126 nan 8.150 nan 0.000 0.447 288 V N 0.007 119.933 119.914 0.019 0.000 2.343 288 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 288 V C 2.400 178.491 176.094 -0.005 0.000 1.051 288 V CA 2.310 64.617 62.300 0.012 0.000 1.036 288 V CB -0.941 30.891 31.823 0.014 0.000 0.654 288 V HN 0.630 nan 8.190 nan 0.000 0.451 289 E N 0.178 120.367 120.200 -0.019 0.000 2.031 289 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 289 E C 2.249 178.847 176.600 -0.004 0.000 0.994 289 E CA 1.462 57.847 56.400 -0.025 0.000 0.800 289 E CB -0.280 29.390 29.700 -0.050 0.000 0.752 289 E HN 0.497 nan 8.360 nan 0.000 0.447 290 L N 0.859 122.067 121.223 -0.025 0.000 2.127 290 L HA -0.217 4.122 4.340 -0.000 0.000 0.211 290 L C 2.493 179.464 176.870 0.169 0.000 1.089 290 L CA 0.736 55.613 54.840 0.063 0.000 0.757 290 L CB -0.394 41.612 42.059 -0.087 0.000 0.899 290 L HN 0.189 nan 8.230 nan 0.000 0.434 291 L N -0.274 120.998 121.223 0.082 0.000 2.187 291 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 291 L C 2.462 179.384 176.870 0.086 0.000 1.100 291 L CA 1.278 56.170 54.840 0.086 0.000 0.765 291 L CB -0.344 41.736 42.059 0.035 0.000 0.904 291 L HN 0.252 nan 8.230 nan 0.000 0.437 292 K N -0.656 119.781 120.400 0.063 0.000 2.365 292 K HA -0.096 4.224 4.320 -0.000 0.000 0.199 292 K C 0.646 177.262 176.600 0.026 0.000 1.045 292 K CA 0.844 57.154 56.287 0.037 0.000 0.962 292 K CB 0.123 32.634 32.500 0.019 0.000 0.759 292 K HN 0.316 nan 8.250 nan 0.000 0.469 293 D N -1.600 118.825 120.400 0.042 0.000 2.520 293 D HA 0.084 4.723 4.640 -0.000 0.000 0.223 293 D C -0.581 175.576 176.300 -0.239 0.000 1.186 293 D CA 0.151 54.094 54.000 -0.095 0.000 0.821 293 D CB 0.661 41.366 40.800 -0.158 0.000 1.072 293 D HN 0.007 nan 8.370 nan 0.000 0.518 294 Y N 0.590 120.930 120.300 0.065 0.000 2.570 294 Y HA 0.227 4.777 4.550 -0.000 0.000 0.345 294 Y C 1.124 177.090 175.900 0.111 0.000 1.014 294 Y CA -0.885 57.277 58.100 0.102 0.000 1.063 294 Y CB 1.778 40.316 38.460 0.130 0.000 1.272 294 Y HN -0.330 nan 8.280 nan 0.000 0.477 295 D N 0.645 121.237 120.400 0.321 0.000 2.240 295 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 295 D C -0.510 175.991 176.300 0.335 0.000 0.963 295 D CA 1.232 55.390 54.000 0.263 0.000 0.863 295 D CB 0.557 41.498 40.800 0.236 0.000 0.973 295 D HN 0.217 nan 8.370 nan 0.000 0.501 296 F N 1.343 121.437 119.950 0.240 0.000 2.518 296 F HA 0.367 4.893 4.527 -0.000 0.000 0.323 296 F C -0.979 174.982 175.800 0.269 0.000 1.129 296 F CA -0.794 57.358 58.000 0.254 0.000 0.920 296 F CB 1.720 40.924 39.000 0.340 0.000 1.160 296 F HN -0.418 nan 8.300 nan 0.000 0.440 297 V N 6.751 126.559 119.914 -0.176 0.000 2.540 297 V HA 0.398 4.518 4.120 -0.000 0.000 0.302 297 V C -1.169 174.895 176.094 -0.050 0.000 1.035 297 V CA -0.869 61.424 62.300 -0.011 0.000 0.873 297 V CB 1.787 33.590 31.823 -0.033 0.000 0.992 297 V HN 0.583 nan 8.190 nan 0.000 0.428 298 F N 6.430 126.396 119.950 0.026 0.000 2.444 298 F HA 0.806 5.333 4.527 -0.000 0.000 0.342 298 F C -1.024 174.795 175.800 0.032 0.000 1.121 298 F CA -1.052 56.966 58.000 0.030 0.000 0.997 298 F CB 1.593 40.638 39.000 0.074 0.000 1.130 298 F HN 0.396 nan 8.300 nan 0.000 0.454 299 L N 7.123 127.931 121.223 -0.691 0.000 2.356 299 L HA 0.453 4.792 4.340 -0.000 0.000 0.277 299 L C -1.672 174.770 176.870 -0.714 0.000 0.996 299 L CA -0.311 54.206 54.840 -0.539 0.000 0.822 299 L CB 1.114 43.021 42.059 -0.254 0.000 1.256 299 L HN 0.717 nan 8.230 nan 0.000 0.413 300 H N 4.676 123.398 119.070 -0.580 0.000 2.495 300 H HA 0.419 4.975 4.556 -0.000 0.000 0.348 300 H C -1.948 173.365 175.328 -0.024 0.000 1.113 300 H CA -0.505 55.348 56.048 -0.324 0.000 1.195 300 H CB 1.692 31.313 29.762 -0.235 0.000 1.521 300 H HN 0.644 nan 8.280 nan 0.000 0.509 301 F N 5.498 125.188 119.950 -0.432 0.000 2.577 301 F HA 0.208 4.734 4.527 -0.000 0.000 0.344 301 F C 0.453 176.107 175.800 -0.243 0.000 1.145 301 F CA -0.748 57.128 58.000 -0.206 0.000 0.996 301 F CB 1.135 40.035 39.000 -0.166 0.000 1.248 301 F HN 0.480 nan 8.300 nan 0.000 0.447 302 K N 6.896 127.049 120.400 -0.412 0.000 2.128 302 K HA 0.236 4.556 4.320 -0.000 0.000 0.202 302 K C -1.078 175.299 176.600 -0.372 0.000 1.050 302 K CA 0.880 57.017 56.287 -0.250 0.000 0.966 302 K CB -0.866 31.623 32.500 -0.018 0.000 0.759 302 K HN 0.353 nan 8.250 nan 0.000 0.454 303 P HA -0.263 nan 4.420 nan 0.000 0.219 303 P C 0.874 178.114 177.300 -0.101 0.000 1.151 303 P CA 1.990 64.853 63.100 -0.394 0.000 0.850 303 P CB -0.483 30.976 31.700 -0.400 0.000 0.784 304 T N -2.563 111.928 114.554 -0.106 0.000 2.803 304 T HA -0.215 4.134 4.350 -0.000 0.000 0.269 304 T C 1.656 176.392 174.700 0.060 0.000 1.052 304 T CA 1.759 63.909 62.100 0.084 0.000 1.136 304 T CB -1.209 67.739 68.868 0.133 0.000 0.864 304 T HN 0.126 nan 8.240 nan 0.000 0.467 305 D N 1.689 122.100 120.400 0.019 0.000 2.183 305 D HA 0.109 4.749 4.640 -0.000 0.000 0.203 305 D C 2.267 178.684 176.300 0.195 0.000 0.969 305 D CA 0.984 55.037 54.000 0.089 0.000 0.842 305 D CB -0.470 40.406 40.800 0.128 0.000 0.957 305 D HN 0.484 nan 8.370 nan 0.000 0.484 306 A N 0.431 123.338 122.820 0.144 0.000 1.898 306 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 306 A C 2.360 180.111 177.584 0.279 0.000 1.181 306 A CA 1.754 53.898 52.037 0.178 0.000 0.620 306 A CB -0.981 17.968 19.000 -0.085 0.000 0.819 306 A HN 0.289 nan 8.150 nan 0.000 0.442 307 A N -0.407 122.592 122.820 0.299 0.000 1.972 307 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 307 A C 2.343 180.011 177.584 0.139 0.000 1.169 307 A CA 1.932 54.106 52.037 0.229 0.000 0.635 307 A CB -1.254 17.849 19.000 0.172 0.000 0.810 307 A HN 0.689 nan 8.150 nan 0.000 0.446 308 G N -1.761 107.104 108.800 0.107 0.000 2.402 308 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 308 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 308 G C 1.532 176.449 174.900 0.030 0.000 1.162 308 G CA 0.946 46.065 45.100 0.032 0.000 0.777 308 G HN 0.644 nan 8.290 nan 0.000 0.539 309 H N 0.826 119.961 119.070 0.107 0.000 2.421 309 H HA -0.031 4.525 4.556 -0.000 0.000 0.298 309 H C 1.312 176.687 175.328 0.079 0.000 1.087 309 H CA 1.388 57.494 56.048 0.096 0.000 1.330 309 H CB 0.234 30.055 29.762 0.098 0.000 1.388 309 H HN 0.287 nan 8.280 nan 0.000 0.526 310 D N -0.018 120.505 120.400 0.205 0.000 2.339 310 D HA -0.051 4.589 4.640 -0.000 0.000 0.217 310 D C 0.156 176.509 176.300 0.088 0.000 1.050 310 D CA 0.005 54.090 54.000 0.141 0.000 0.856 310 D CB -0.354 40.538 40.800 0.153 0.000 0.922 310 D HN 0.387 nan 8.370 nan 0.000 0.518 311 N N 1.134 119.876 118.700 0.070 0.000 2.727 311 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 311 N C -1.026 174.497 175.510 0.022 0.000 1.040 311 N CA 0.340 53.411 53.050 0.035 0.000 0.712 311 N CB -0.683 37.821 38.487 0.029 0.000 0.912 311 N HN 0.090 nan 8.380 nan 0.000 0.545 312 K N 0.257 120.672 120.400 0.025 0.000 2.679 312 K HA 0.214 4.534 4.320 -0.000 0.000 0.188 312 K C -2.044 174.553 176.600 -0.006 0.000 1.055 312 K CA -1.732 54.557 56.287 0.004 0.000 1.006 312 K CB 1.497 34.000 32.500 0.004 0.000 1.317 312 K HN 0.065 nan 8.250 nan 0.000 0.584 313 P HA -0.249 nan 4.420 nan 0.000 0.215 313 P C 0.937 178.210 177.300 -0.044 0.000 1.157 313 P CA 1.267 64.338 63.100 -0.048 0.000 0.874 313 P CB 0.332 31.976 31.700 -0.094 0.000 0.790 314 K N -0.904 119.463 120.400 -0.056 0.000 2.026 314 K HA -0.124 4.195 4.320 -0.000 0.000 0.208 314 K C 2.053 178.666 176.600 0.022 0.000 1.048 314 K CA 1.062 57.340 56.287 -0.014 0.000 0.929 314 K CB -1.364 31.125 32.500 -0.018 0.000 0.713 314 K HN 0.117 nan 8.250 nan 0.000 0.439 315 L N 2.196 123.413 121.223 -0.009 0.000 2.012 315 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 315 L C 2.420 179.302 176.870 0.019 0.000 1.073 315 L CA 1.900 56.722 54.840 -0.029 0.000 0.748 315 L CB -0.543 41.459 42.059 -0.095 0.000 0.891 315 L HN 0.091 nan 8.230 nan 0.000 0.431 316 K N -0.731 119.693 120.400 0.041 0.000 2.032 316 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 316 K C 1.998 178.652 176.600 0.090 0.000 1.048 316 K CA 1.470 57.804 56.287 0.078 0.000 0.927 316 K CB -0.302 32.233 32.500 0.059 0.000 0.712 316 K HN 0.458 nan 8.250 nan 0.000 0.441 317 A N 1.460 124.332 122.820 0.086 0.000 1.902 317 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 317 A C 2.098 179.746 177.584 0.107 0.000 1.181 317 A CA 1.680 53.791 52.037 0.124 0.000 0.623 317 A CB -0.601 18.537 19.000 0.230 0.000 0.818 317 A HN 0.458 nan 8.150 nan 0.000 0.443 318 E N 0.251 120.507 120.200 0.092 0.000 2.077 318 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 318 E C 1.974 178.625 176.600 0.085 0.000 0.989 318 E CA 1.235 57.677 56.400 0.070 0.000 0.800 318 E CB -0.283 29.443 29.700 0.044 0.000 0.746 318 E HN 0.657 nan 8.360 nan 0.000 0.452 319 L N 0.252 121.549 121.223 0.125 0.000 2.093 319 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 319 L C 2.635 179.625 176.870 0.200 0.000 1.085 319 L CA 0.644 55.617 54.840 0.222 0.000 0.755 319 L CB -0.291 41.943 42.059 0.292 0.000 0.904 319 L HN 0.111 nan 8.230 nan 0.000 0.435 320 I N -0.318 120.336 120.570 0.139 0.000 2.454 320 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 320 I C 2.321 178.444 176.117 0.009 0.000 1.156 320 I CA 1.209 62.555 61.300 0.077 0.000 1.433 320 I CB -0.226 37.819 38.000 0.075 0.000 1.082 320 I HN 0.318 nan 8.210 nan 0.000 0.432 321 E N 0.570 120.783 120.200 0.022 0.000 2.107 321 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 321 E C 2.308 178.883 176.600 -0.041 0.000 0.982 321 E CA 0.726 57.121 56.400 -0.008 0.000 0.809 321 E CB 0.044 29.747 29.700 0.005 0.000 0.756 321 E HN 0.430 nan 8.360 nan 0.000 0.459 322 R N 0.332 120.811 120.500 -0.035 0.000 2.092 322 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 322 R C 2.305 178.463 176.300 -0.238 0.000 1.119 322 R CA 1.031 57.086 56.100 -0.075 0.000 0.970 322 R CB -0.183 30.131 30.300 0.024 0.000 0.864 322 R HN 0.076 nan 8.270 nan 0.000 0.440 323 A N 1.052 123.646 122.820 -0.376 0.000 1.898 323 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 323 A C 1.718 179.145 177.584 -0.262 0.000 1.181 323 A CA 1.801 53.514 52.037 -0.540 0.000 0.620 323 A CB -0.473 18.198 19.000 -0.549 0.000 0.819 323 A HN 0.248 nan 8.150 nan 0.000 0.442 324 D N -0.661 119.649 120.400 -0.150 0.000 2.123 324 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 324 D C 2.227 178.480 176.300 -0.079 0.000 0.992 324 D CA 1.403 55.349 54.000 -0.090 0.000 0.833 324 D CB -0.070 40.702 40.800 -0.047 0.000 0.954 324 D HN 0.447 nan 8.370 nan 0.000 0.455 325 R N -0.327 120.128 120.500 -0.075 0.000 2.075 325 R HA -0.078 4.261 4.340 -0.000 0.000 0.232 325 R C 2.457 178.741 176.300 -0.026 0.000 1.126 325 R CA 1.164 57.240 56.100 -0.040 0.000 0.963 325 R CB -0.429 29.851 30.300 -0.033 0.000 0.858 325 R HN 0.347 nan 8.270 nan 0.000 0.435 326 M N 0.920 120.466 119.600 -0.090 0.000 2.080 326 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 326 M C 1.976 178.269 176.300 -0.013 0.000 1.068 326 M CA 1.844 57.096 55.300 -0.080 0.000 1.109 326 M CB -0.070 32.403 32.600 -0.211 0.000 1.342 326 M HN 0.084 nan 8.290 nan 0.000 0.405 327 I N 0.147 120.675 120.570 -0.069 0.000 2.315 327 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 327 I C 2.579 178.681 176.117 -0.025 0.000 1.117 327 I CA 1.341 62.606 61.300 -0.058 0.000 1.404 327 I CB -0.951 36.988 38.000 -0.102 0.000 1.071 327 I HN 0.485 nan 8.210 nan 0.000 0.419 328 G N -0.043 108.747 108.800 -0.018 0.000 2.442 328 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 328 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 328 G C 1.632 176.534 174.900 0.004 0.000 1.141 328 G CA 0.856 45.945 45.100 -0.019 0.000 0.763 328 G HN 0.392 nan 8.290 nan 0.000 0.554 329 Y N 1.263 121.543 120.300 -0.032 0.000 2.114 329 Y HA -0.082 4.468 4.550 -0.000 0.000 0.284 329 Y C 2.625 178.577 175.900 0.086 0.000 1.143 329 Y CA 1.500 59.618 58.100 0.030 0.000 1.135 329 Y CB -0.251 38.240 38.460 0.052 0.000 0.980 329 Y HN 0.178 nan 8.280 nan 0.000 0.499 330 I N 0.057 120.684 120.570 0.095 0.000 2.151 330 I HA -0.375 3.795 4.170 -0.000 0.000 0.243 330 I C 2.357 178.422 176.117 -0.086 0.000 1.080 330 I CA 1.572 62.880 61.300 0.014 0.000 1.339 330 I CB -0.569 37.451 38.000 0.033 0.000 1.039 330 I HN 0.291 nan 8.210 nan 0.000 0.409 331 L N 0.166 121.329 121.223 -0.100 0.000 2.127 331 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 331 L C 1.732 178.491 176.870 -0.185 0.000 1.089 331 L CA 1.108 55.876 54.840 -0.120 0.000 0.757 331 L CB -0.682 41.315 42.059 -0.104 0.000 0.899 331 L HN 0.307 nan 8.230 nan 0.000 0.434 332 D N -1.140 119.077 120.400 -0.305 0.000 2.363 332 D HA -0.082 4.558 4.640 -0.000 0.000 0.220 332 D C 1.057 176.972 176.300 -0.641 0.000 0.994 332 D CA 1.005 54.720 54.000 -0.474 0.000 0.890 332 D CB 0.089 40.525 40.800 -0.606 0.000 0.906 332 D HN 0.511 nan 8.370 nan 0.000 0.530 333 H N -1.383 117.528 119.070 -0.264 0.000 2.785 333 H HA 0.223 4.779 4.556 -0.000 0.000 0.268 333 H C 0.038 175.284 175.328 -0.137 0.000 1.153 333 H CA -0.361 55.554 56.048 -0.221 0.000 1.111 333 H CB 1.023 30.597 29.762 -0.314 0.000 1.633 333 H HN -0.100 nan 8.280 nan 0.000 0.576 334 V N -2.251 117.638 119.914 -0.041 0.000 3.007 334 V HA 0.448 4.568 4.120 -0.000 0.000 0.311 334 V C -1.095 174.972 176.094 -0.044 0.000 1.120 334 V CA -1.210 61.072 62.300 -0.030 0.000 0.980 334 V CB 2.787 34.592 31.823 -0.029 0.000 1.033 334 V HN -0.016 nan 8.190 nan 0.000 0.429 335 D N 2.130 122.512 120.400 -0.030 0.000 2.274 335 D HA 0.439 5.079 4.640 -0.000 0.000 0.239 335 D C 0.841 177.124 176.300 -0.028 0.000 1.104 335 D CA -0.291 53.691 54.000 -0.030 0.000 0.840 335 D CB 1.542 42.330 40.800 -0.020 0.000 1.100 335 D HN 0.618 nan 8.370 nan 0.000 0.477 336 L N 2.784 123.987 121.223 -0.034 0.000 2.376 336 L HA -0.026 4.314 4.340 -0.000 0.000 0.219 336 L C 1.833 178.690 176.870 -0.021 0.000 1.133 336 L CA 0.587 55.408 54.840 -0.033 0.000 0.816 336 L CB -0.118 41.916 42.059 -0.040 0.000 0.933 336 L HN 0.473 nan 8.230 nan 0.000 0.449 337 E N 0.830 121.020 120.200 -0.017 0.000 2.274 337 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 337 E C 1.654 178.253 176.600 -0.002 0.000 0.996 337 E CA 1.180 57.574 56.400 -0.009 0.000 0.840 337 E CB 0.164 29.859 29.700 -0.009 0.000 0.772 337 E HN 0.483 nan 8.360 nan 0.000 0.491 338 E N -1.065 119.133 120.200 -0.003 0.000 2.389 338 E HA 0.151 4.500 4.350 -0.000 0.000 0.199 338 E C -0.474 176.131 176.600 0.009 0.000 0.978 338 E CA 0.093 56.496 56.400 0.006 0.000 0.912 338 E CB 1.335 31.038 29.700 0.005 0.000 0.907 338 E HN -0.040 nan 8.360 nan 0.000 0.494 339 V N 2.097 122.009 119.914 -0.003 0.000 2.483 339 V HA 0.216 4.335 4.120 -0.000 0.000 0.297 339 V C -0.260 175.824 176.094 -0.016 0.000 1.027 339 V CA -0.866 61.429 62.300 -0.008 0.000 0.855 339 V CB 2.008 33.819 31.823 -0.020 0.000 0.995 339 V HN -0.144 nan 8.190 nan 0.000 0.424 340 V N 6.371 126.280 119.914 -0.008 0.000 2.406 340 V HA 0.432 4.552 4.120 -0.000 0.000 0.272 340 V C -0.008 176.066 176.094 -0.033 0.000 1.043 340 V CA -0.193 62.101 62.300 -0.010 0.000 0.915 340 V CB 1.433 33.266 31.823 0.017 0.000 0.988 340 V HN 0.754 nan 8.190 nan 0.000 0.466 341 I N 4.603 125.143 120.570 -0.050 0.000 2.412 341 I HA 0.814 4.983 4.170 -0.000 0.000 0.296 341 I C 0.049 176.121 176.117 -0.075 0.000 0.987 341 I CA -0.391 60.864 61.300 -0.074 0.000 1.180 341 I CB 1.454 39.399 38.000 -0.092 0.000 1.340 341 I HN 0.689 nan 8.210 nan 0.000 0.455 342 A N 8.288 131.066 122.820 -0.071 0.000 2.371 342 A HA 0.818 5.138 4.320 -0.000 0.000 0.311 342 A C -1.149 176.383 177.584 -0.087 0.000 1.068 342 A CA -0.520 51.480 52.037 -0.062 0.000 0.744 342 A CB 1.141 20.144 19.000 0.005 0.000 1.239 342 A HN 0.661 nan 8.150 nan 0.000 0.435 343 I N 1.332 121.820 120.570 -0.137 0.000 2.533 343 I HA 0.686 4.856 4.170 -0.000 0.000 0.290 343 I C 0.074 176.160 176.117 -0.051 0.000 1.056 343 I CA -0.218 60.994 61.300 -0.146 0.000 1.057 343 I CB 2.570 40.395 38.000 -0.293 0.000 1.240 343 I HN 0.768 nan 8.210 nan 0.000 0.423 344 T N 2.907 117.472 114.554 0.018 0.000 2.661 344 T HA 0.616 4.966 4.350 -0.000 0.000 0.305 344 T C -1.317 173.385 174.700 0.002 0.000 1.535 344 T CA -0.342 61.808 62.100 0.084 0.000 1.000 344 T CB 1.612 70.506 68.868 0.043 0.000 1.811 344 T HN 0.768 nan 8.240 nan 0.000 0.471 345 G N 0.419 109.188 108.800 -0.052 0.000 2.453 345 G HA2 0.511 4.471 3.960 -0.000 0.000 0.323 345 G HA3 0.511 4.471 3.960 -0.000 0.000 0.323 345 G C 0.489 175.248 174.900 -0.234 0.000 1.198 345 G CA -0.138 44.864 45.100 -0.165 0.000 0.959 345 G HN 0.743 nan 8.290 nan 0.000 0.482 346 D N -0.644 119.540 120.400 -0.361 0.000 2.310 346 D HA -0.007 4.633 4.640 -0.000 0.000 0.212 346 D C 0.698 176.853 176.300 -0.241 0.000 0.965 346 D CA 1.306 55.062 54.000 -0.406 0.000 0.879 346 D CB -0.157 40.269 40.800 -0.623 0.000 0.921 346 D HN 0.691 nan 8.370 nan 0.000 0.510 347 H N -3.952 114.984 119.070 -0.223 0.000 2.894 347 H HA 0.486 5.042 4.556 -0.000 0.000 0.282 347 H C -1.495 173.712 175.328 -0.201 0.000 1.448 347 H CA -0.924 54.995 56.048 -0.216 0.000 1.158 347 H CB 0.242 29.836 29.762 -0.280 0.000 1.818 347 H HN -0.210 nan 8.280 nan 0.000 0.493 348 S N -0.063 115.691 115.700 0.091 0.000 2.554 348 S HA 0.571 5.041 4.470 -0.000 0.000 0.278 348 S C -0.556 174.107 174.600 0.105 0.000 1.242 348 S CA -0.239 57.983 58.200 0.037 0.000 1.051 348 S CB 0.927 64.125 63.200 -0.003 0.000 0.986 348 S HN 0.606 nan 8.310 nan 0.000 0.502 349 T N 4.552 119.118 114.554 0.021 0.000 3.296 349 T HA 0.303 4.653 4.350 -0.000 0.000 0.333 349 T C -2.825 171.849 174.700 -0.043 0.000 1.280 349 T CA -1.027 61.062 62.100 -0.019 0.000 1.558 349 T CB 0.923 69.762 68.868 -0.048 0.000 0.929 349 T HN 0.250 nan 8.240 nan 0.000 0.596 350 P HA 0.142 nan 4.420 nan 0.000 0.265 350 P C 0.680 177.964 177.300 -0.028 0.000 1.193 350 P CA -0.331 62.751 63.100 -0.028 0.000 0.765 350 P CB 0.536 32.222 31.700 -0.022 0.000 0.823 351 C N 2.654 121.941 119.300 -0.021 0.000 2.425 351 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 351 C C 2.339 177.326 174.990 -0.006 0.000 1.280 351 C CA 1.264 60.276 59.018 -0.010 0.000 1.744 351 C CB -1.557 26.176 27.740 -0.012 0.000 1.989 351 C HN 0.731 nan 8.230 nan 0.000 0.491 352 E N 0.732 120.925 120.200 -0.012 0.000 2.338 352 E HA -0.109 4.241 4.350 -0.000 0.000 0.197 352 E C 1.518 178.117 176.600 -0.001 0.000 1.007 352 E CA 1.313 57.708 56.400 -0.007 0.000 0.849 352 E CB -0.112 29.581 29.700 -0.012 0.000 0.774 352 E HN 0.474 nan 8.360 nan 0.000 0.506 353 V N 0.524 120.436 119.914 -0.004 0.000 3.263 353 V HA 0.066 4.186 4.120 -0.000 0.000 0.248 353 V C 1.315 177.415 176.094 0.011 0.000 1.145 353 V CA 0.875 63.176 62.300 0.002 0.000 1.107 353 V CB -0.489 31.331 31.823 -0.004 0.000 0.797 353 V HN 0.334 nan 8.190 nan 0.000 0.467 354 M N 0.479 120.082 119.600 0.005 0.000 2.751 354 M HA -0.201 4.279 4.480 -0.000 0.000 0.199 354 M C 0.008 176.340 176.300 0.053 0.000 0.550 354 M CA 0.844 56.166 55.300 0.037 0.000 0.640 354 M CB -1.340 31.305 32.600 0.075 0.000 2.351 354 M HN 0.586 nan 8.290 nan 0.000 0.613 355 N N -1.089 117.569 118.700 -0.069 0.000 3.355 355 N HA 0.252 4.992 4.740 -0.000 0.000 0.238 355 N C -1.206 174.292 175.510 -0.021 0.000 1.466 355 N CA -0.601 52.409 53.050 -0.066 0.000 0.882 355 N CB 1.014 39.536 38.487 0.059 0.000 1.406 355 N HN 0.366 nan 8.380 nan 0.000 0.500 356 H N 0.228 119.194 119.070 -0.173 0.000 3.001 356 H HA 0.198 4.754 4.556 -0.000 0.000 0.334 356 H C 0.515 175.775 175.328 -0.113 0.000 1.034 356 H CA 0.279 56.206 56.048 -0.201 0.000 1.420 356 H CB 0.659 30.196 29.762 -0.374 0.000 1.405 356 H HN 0.497 nan 8.280 nan 0.000 0.593 357 S N 1.571 117.294 115.700 0.038 0.000 2.726 357 S HA 0.414 4.884 4.470 -0.000 0.000 0.308 357 S C 1.192 175.795 174.600 0.005 0.000 1.115 357 S CA -0.418 57.791 58.200 0.015 0.000 0.965 357 S CB 1.788 64.990 63.200 0.004 0.000 1.145 357 S HN 0.694 nan 8.310 nan 0.000 0.532 358 G N -0.371 108.430 108.800 0.001 0.000 3.042 358 G HA2 0.169 4.129 3.960 -0.000 0.000 0.212 358 G HA3 0.169 4.129 3.960 -0.000 0.000 0.212 358 G C -0.138 174.757 174.900 -0.009 0.000 1.166 358 G CA -0.341 44.757 45.100 -0.004 0.000 0.767 358 G HN 0.734 nan 8.290 nan 0.000 0.546 359 D N 2.490 122.884 120.400 -0.010 0.000 2.533 359 D HA 0.078 4.718 4.640 -0.000 0.000 0.236 359 D C -1.874 174.410 176.300 -0.025 0.000 1.137 359 D CA -0.389 53.600 54.000 -0.018 0.000 0.867 359 D CB 1.373 42.159 40.800 -0.023 0.000 1.170 359 D HN 0.176 nan 8.370 nan 0.000 0.474 360 P HA -0.016 nan 4.420 nan 0.000 0.270 360 P C -0.344 176.928 177.300 -0.047 0.000 1.227 360 P CA -0.262 62.815 63.100 -0.037 0.000 0.788 360 P CB 0.760 32.440 31.700 -0.034 0.000 0.926 361 V N 2.091 121.974 119.914 -0.051 0.000 2.555 361 V HA 0.327 4.447 4.120 -0.000 0.000 0.302 361 V C -2.021 174.047 176.094 -0.044 0.000 1.038 361 V CA -2.288 59.975 62.300 -0.060 0.000 0.887 361 V CB 1.431 33.212 31.823 -0.070 0.000 0.991 361 V HN 0.568 nan 8.190 nan 0.000 0.434 362 P HA 0.204 nan 4.420 nan 0.000 0.268 362 P C -1.038 176.360 177.300 0.164 0.000 1.205 362 P CA -0.060 63.004 63.100 -0.060 0.000 0.771 362 P CB 1.370 32.835 31.700 -0.391 0.000 0.858 363 L N 4.795 126.170 121.223 0.253 0.000 2.422 363 L HA 0.652 4.992 4.340 -0.000 0.000 0.264 363 L C -1.555 175.447 176.870 0.220 0.000 0.984 363 L CA -1.072 53.904 54.840 0.227 0.000 0.819 363 L CB 1.871 43.979 42.059 0.081 0.000 1.330 363 L HN 0.261 nan 8.230 nan 0.000 0.410 364 L N 3.480 124.707 121.223 0.006 0.000 2.409 364 L HA 0.832 5.172 4.340 -0.000 0.000 0.262 364 L C -1.578 175.218 176.870 -0.124 0.000 0.992 364 L CA -0.618 54.150 54.840 -0.119 0.000 0.817 364 L CB 1.967 43.757 42.059 -0.448 0.000 1.350 364 L HN 0.526 nan 8.230 nan 0.000 0.411 365 I N 2.451 122.973 120.570 -0.081 0.000 2.569 365 I HA 0.890 5.060 4.170 -0.000 0.000 0.290 365 I C -0.442 175.637 176.117 -0.063 0.000 1.088 365 I CA -0.717 60.545 61.300 -0.063 0.000 1.047 365 I CB 1.990 39.975 38.000 -0.026 0.000 1.237 365 I HN 1.021 nan 8.210 nan 0.000 0.421 366 A N 4.120 126.899 122.820 -0.068 0.000 2.539 366 A HA 1.030 5.350 4.320 -0.000 0.000 0.296 366 A C -0.306 177.250 177.584 -0.046 0.000 1.073 366 A CA -0.107 51.894 52.037 -0.059 0.000 0.700 366 A CB 1.995 20.947 19.000 -0.079 0.000 1.296 366 A HN 1.156 nan 8.150 nan 0.000 0.405 367 G N -0.752 108.027 108.800 -0.035 0.000 2.346 367 G HA2 0.516 4.475 3.960 -0.000 0.000 0.294 367 G HA3 0.516 4.475 3.960 -0.000 0.000 0.294 367 G C 0.180 175.071 174.900 -0.016 0.000 1.294 367 G CA 0.077 45.161 45.100 -0.027 0.000 0.962 367 G HN 1.939 nan 8.290 nan 0.000 0.508 368 G N -0.960 107.835 108.800 -0.010 0.000 2.380 368 G HA2 0.559 4.519 3.960 -0.000 0.000 0.242 368 G HA3 0.559 4.519 3.960 -0.000 0.000 0.242 368 G C 1.494 176.395 174.900 0.001 0.000 1.298 368 G CA 1.992 47.090 45.100 -0.003 0.000 0.878 368 G HN 2.536 nan 8.290 nan 0.000 0.542 369 G N 0.384 109.185 108.800 0.002 0.000 2.268 369 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.240 369 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.240 369 G C 0.529 175.431 174.900 0.003 0.000 1.010 369 G CA 0.247 45.350 45.100 0.005 0.000 0.618 369 G HN 1.301 nan 8.290 nan 0.000 0.516 370 V N 2.638 122.551 119.914 -0.002 0.000 2.585 370 V HA 0.279 4.399 4.120 -0.000 0.000 0.296 370 V C 1.072 177.165 176.094 -0.002 0.000 1.035 370 V CA 0.121 62.419 62.300 -0.003 0.000 1.084 370 V CB 0.981 32.798 31.823 -0.011 0.000 0.953 370 V HN 0.383 nan 8.190 nan 0.000 0.483 371 R N 2.923 123.423 120.500 0.000 0.000 2.296 371 R HA 0.222 4.562 4.340 -0.000 0.000 0.327 371 R C 0.251 176.551 176.300 -0.000 0.000 1.137 371 R CA -0.264 55.836 56.100 0.001 0.000 1.020 371 R CB 0.584 30.887 30.300 0.004 0.000 1.110 371 R HN 0.722 nan 8.270 nan 0.000 0.499 372 T N 2.439 116.991 114.554 -0.003 0.000 2.902 372 T HA -0.019 4.331 4.350 -0.000 0.000 0.301 372 T C 0.237 174.938 174.700 0.000 0.000 1.012 372 T CA -0.434 61.664 62.100 -0.004 0.000 1.151 372 T CB 0.145 69.009 68.868 -0.008 0.000 0.946 372 T HN 0.580 nan 8.240 nan 0.000 0.542 373 D N 3.041 123.443 120.400 0.003 0.000 2.478 373 D HA 0.198 4.838 4.640 -0.000 0.000 0.274 373 D C 0.480 176.784 176.300 0.006 0.000 1.234 373 D CA -0.705 53.298 54.000 0.006 0.000 1.069 373 D CB 0.252 41.058 40.800 0.010 0.000 1.113 373 D HN 0.589 nan 8.370 nan 0.000 0.571 374 D N -2.393 118.011 120.400 0.007 0.000 2.434 374 D HA 0.075 4.715 4.640 -0.000 0.000 0.232 374 D C -0.029 176.277 176.300 0.010 0.000 1.166 374 D CA -0.483 53.520 54.000 0.006 0.000 0.830 374 D CB -0.842 39.961 40.800 0.004 0.000 0.960 374 D HN 0.388 nan 8.370 nan 0.000 0.497 375 T N -2.689 111.874 114.554 0.016 0.000 2.913 375 T HA 0.254 4.604 4.350 -0.000 0.000 0.297 375 T C 0.923 175.636 174.700 0.023 0.000 1.029 375 T CA -0.694 61.420 62.100 0.024 0.000 1.104 375 T CB 2.128 71.020 68.868 0.041 0.000 0.964 375 T HN -0.179 nan 8.240 nan 0.000 0.532 376 K N 1.094 121.509 120.400 0.024 0.000 2.387 376 K HA 0.283 4.603 4.320 -0.000 0.000 0.197 376 K C 0.901 177.521 176.600 0.032 0.000 1.127 376 K CA 0.431 56.730 56.287 0.020 0.000 0.950 376 K CB 0.479 32.985 32.500 0.011 0.000 1.017 376 K HN 0.588 nan 8.250 nan 0.000 0.519 377 R N -0.428 120.101 120.500 0.049 0.000 2.912 377 R HA 0.354 4.693 4.340 -0.000 0.000 0.262 377 R C -1.141 175.250 176.300 0.151 0.000 1.057 377 R CA -0.841 55.304 56.100 0.076 0.000 0.981 377 R CB 1.191 31.517 30.300 0.042 0.000 1.201 377 R HN -0.155 nan 8.270 nan 0.000 0.484 378 F N 0.875 120.810 119.950 -0.024 0.000 2.361 378 F HA 0.625 5.151 4.527 -0.001 0.000 0.364 378 F C -0.160 175.627 175.800 -0.020 0.000 1.120 378 F CA -0.308 57.677 58.000 -0.025 0.000 1.102 378 F CB 1.058 40.039 39.000 -0.031 0.000 1.183 378 F HN 0.569 nan 8.300 nan 0.000 0.476 379 G N 4.391 112.966 108.800 -0.375 0.000 2.601 379 G HA2 0.275 4.235 3.960 -0.000 0.000 0.291 379 G HA3 0.275 4.235 3.960 -0.000 0.000 0.291 379 G C -0.232 174.480 174.900 -0.314 0.000 1.456 379 G CA -0.679 44.195 45.100 -0.376 0.000 0.804 379 G HN 0.391 nan 8.290 nan 0.000 0.499 380 E N -0.154 119.894 120.200 -0.253 0.000 2.085 380 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 380 E C 2.507 179.045 176.600 -0.104 0.000 0.994 380 E CA 1.254 57.551 56.400 -0.171 0.000 0.801 380 E CB 0.032 29.654 29.700 -0.131 0.000 0.743 380 E HN 0.356 nan 8.360 nan 0.000 0.453 381 R N 0.293 120.744 120.500 -0.081 0.000 2.115 381 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 381 R C 2.026 178.303 176.300 -0.038 0.000 1.111 381 R CA 1.135 57.205 56.100 -0.049 0.000 0.976 381 R CB -0.217 30.061 30.300 -0.036 0.000 0.870 381 R HN 0.104 nan 8.270 nan 0.000 0.445 382 E N -0.138 120.036 120.200 -0.044 0.000 2.072 382 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 382 E C 1.698 178.296 176.600 -0.003 0.000 0.982 382 E CA 1.337 57.728 56.400 -0.015 0.000 0.803 382 E CB -0.167 29.532 29.700 -0.002 0.000 0.755 382 E HN 0.293 nan 8.360 nan 0.000 0.453 383 A N 0.188 122.995 122.820 -0.022 0.000 2.019 383 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 383 A C 2.142 179.724 177.584 -0.003 0.000 1.164 383 A CA 1.440 53.479 52.037 0.003 0.000 0.644 383 A CB -0.534 18.450 19.000 -0.027 0.000 0.805 383 A HN 0.321 nan 8.150 nan 0.000 0.449 384 M N -0.931 118.658 119.600 -0.019 0.000 2.446 384 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 384 M C 1.106 177.403 176.300 -0.005 0.000 1.066 384 M CA 1.300 56.592 55.300 -0.014 0.000 1.087 384 M CB -0.064 32.524 32.600 -0.020 0.000 1.406 384 M HN 0.287 nan 8.290 nan 0.000 0.459 385 K N -0.531 119.869 120.400 0.000 0.000 2.387 385 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 385 K C 0.666 177.273 176.600 0.011 0.000 1.030 385 K CA -0.314 55.976 56.287 0.004 0.000 1.099 385 K CB 0.676 33.178 32.500 0.004 0.000 0.863 385 K HN 0.205 nan 8.250 nan 0.000 0.529 386 G N 0.065 108.876 108.800 0.017 0.000 2.483 386 G HA2 0.175 4.135 3.960 -0.000 0.000 0.248 386 G HA3 0.175 4.135 3.960 -0.000 0.000 0.248 386 G C 0.935 175.845 174.900 0.017 0.000 1.248 386 G CA -0.325 44.790 45.100 0.024 0.000 0.838 386 G HN 0.210 nan 8.290 nan 0.000 0.566 387 G N 0.391 109.200 108.800 0.016 0.000 2.559 387 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 387 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 387 G C 1.506 176.413 174.900 0.011 0.000 1.126 387 G CA 0.224 45.331 45.100 0.012 0.000 0.778 387 G HN 0.479 nan 8.290 nan 0.000 0.543 388 L N -0.101 121.130 121.223 0.013 0.000 2.313 388 L HA 0.231 4.571 4.340 -0.000 0.000 0.214 388 L C 1.847 178.722 176.870 0.008 0.000 1.119 388 L CA 0.392 55.239 54.840 0.011 0.000 0.809 388 L CB -0.561 41.505 42.059 0.013 0.000 0.933 388 L HN 0.418 nan 8.230 nan 0.000 0.449 389 G N 0.671 109.476 108.800 0.008 0.000 2.645 389 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.239 389 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.239 389 G C -0.186 174.714 174.900 -0.001 0.000 1.331 389 G CA -0.164 44.938 45.100 0.004 0.000 0.890 389 G HN 0.312 nan 8.290 nan 0.000 0.572 390 R N 0.569 121.067 120.500 -0.005 0.000 2.204 390 R HA 0.596 4.936 4.340 -0.000 0.000 0.341 390 R C 0.966 177.255 176.300 -0.018 0.000 1.035 390 R CA -0.288 55.805 56.100 -0.012 0.000 0.887 390 R CB -0.215 30.079 30.300 -0.011 0.000 1.114 390 R HN 0.788 nan 8.270 nan 0.000 0.473 391 I N -0.380 120.172 120.570 -0.030 0.000 3.237 391 I HA 0.634 4.803 4.170 -0.000 0.000 0.308 391 I C -0.448 175.612 176.117 -0.095 0.000 1.093 391 I CA -1.498 59.773 61.300 -0.048 0.000 1.001 391 I CB 1.582 39.558 38.000 -0.039 0.000 1.245 391 I HN 0.336 nan 8.210 nan 0.000 0.485 392 R N 1.012 121.412 120.500 -0.166 0.000 2.532 392 R HA 0.336 4.675 4.340 -0.000 0.000 0.272 392 R C 1.033 177.136 176.300 -0.329 0.000 1.032 392 R CA -0.038 55.869 56.100 -0.322 0.000 1.089 392 R CB 1.222 31.130 30.300 -0.653 0.000 1.098 392 R HN 0.990 nan 8.270 nan 0.000 0.526 393 G N 0.802 109.415 108.800 -0.312 0.000 2.450 393 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.220 393 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.220 393 G C 0.879 175.696 174.900 -0.139 0.000 1.130 393 G CA 1.114 46.099 45.100 -0.191 0.000 0.760 393 G HN 0.777 nan 8.290 nan 0.000 0.557 394 H N -0.966 118.101 119.070 -0.005 0.000 2.556 394 H HA 0.255 4.811 4.556 -0.000 0.000 0.268 394 H C 1.079 176.424 175.328 0.029 0.000 0.996 394 H CA 0.494 56.554 56.048 0.020 0.000 1.157 394 H CB 0.025 29.810 29.762 0.038 0.000 1.355 394 H HN 0.181 nan 8.280 nan 0.000 0.597 395 D N 0.484 120.882 120.400 -0.004 0.000 2.333 395 D HA 0.020 4.660 4.640 -0.000 0.000 0.208 395 D C 1.890 178.207 176.300 0.028 0.000 0.984 395 D CA 0.349 54.376 54.000 0.044 0.000 0.873 395 D CB 0.333 41.124 40.800 -0.015 0.000 0.935 395 D HN 0.469 nan 8.370 nan 0.000 0.521 396 I N 0.475 121.052 120.570 0.011 0.000 2.202 396 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 396 I C 2.410 178.537 176.117 0.017 0.000 1.091 396 I CA 0.676 61.986 61.300 0.016 0.000 1.368 396 I CB -0.120 37.891 38.000 0.017 0.000 1.058 396 I HN -0.131 nan 8.210 nan 0.000 0.410 397 V N 1.392 121.313 119.914 0.012 0.000 2.295 397 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 397 V C -0.310 175.577 176.094 -0.345 0.000 1.049 397 V CA 2.152 64.382 62.300 -0.117 0.000 1.024 397 V CB -1.732 30.037 31.823 -0.090 0.000 0.648 397 V HN 0.284 nan 8.190 nan 0.000 0.447 398 P HA -0.147 nan 4.420 nan 0.000 0.215 398 P C 1.818 179.056 177.300 -0.104 0.000 1.153 398 P CA 1.631 64.646 63.100 -0.141 0.000 0.853 398 P CB -0.034 31.750 31.700 0.139 0.000 0.788 399 I N -2.167 118.377 120.570 -0.043 0.000 2.315 399 I HA -0.222 3.947 4.170 -0.000 0.000 0.248 399 I C 2.341 178.439 176.117 -0.031 0.000 1.117 399 I CA 1.450 62.740 61.300 -0.017 0.000 1.404 399 I CB -0.411 37.591 38.000 0.003 0.000 1.071 399 I HN -0.053 nan 8.210 nan 0.000 0.419 400 M N -0.646 118.927 119.600 -0.043 0.000 2.132 400 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 400 M C 2.354 178.628 176.300 -0.043 0.000 1.065 400 M CA 1.572 56.875 55.300 0.004 0.000 1.122 400 M CB -0.216 32.454 32.600 0.116 0.000 1.365 400 M HN 0.176 nan 8.290 nan 0.000 0.411 401 M N -0.146 119.326 119.600 -0.214 0.000 2.159 401 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 401 M C 1.563 177.817 176.300 -0.075 0.000 1.063 401 M CA 1.670 56.813 55.300 -0.262 0.000 1.110 401 M CB -1.304 30.845 32.600 -0.752 0.000 1.374 401 M HN 0.244 nan 8.290 nan 0.000 0.411 402 D N 0.265 120.639 120.400 -0.044 0.000 2.123 402 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 402 D C 2.091 178.403 176.300 0.019 0.000 0.976 402 D CA 0.899 54.910 54.000 0.018 0.000 0.831 402 D CB 0.044 40.862 40.800 0.030 0.000 0.974 402 D HN 0.289 nan 8.370 nan 0.000 0.469 403 L N -0.377 120.853 121.223 0.010 0.000 2.191 403 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 403 L C 2.177 179.062 176.870 0.024 0.000 1.103 403 L CA 0.685 55.535 54.840 0.017 0.000 0.769 403 L CB -0.245 41.822 42.059 0.014 0.000 0.908 403 L HN 0.142 nan 8.230 nan 0.000 0.438 404 M N -0.598 119.019 119.600 0.029 0.000 2.618 404 M HA 0.029 4.509 4.480 -0.000 0.000 0.240 404 M C 0.117 176.444 176.300 0.046 0.000 1.123 404 M CA 0.212 55.539 55.300 0.044 0.000 1.060 404 M CB 0.114 32.754 32.600 0.065 0.000 1.535 404 M HN 0.184 nan 8.290 nan 0.000 0.507 405 N N 1.086 119.810 118.700 0.041 0.000 2.747 405 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 405 N C -0.108 175.439 175.510 0.061 0.000 1.107 405 N CA 0.807 53.886 53.050 0.047 0.000 0.707 405 N CB -1.090 37.422 38.487 0.040 0.000 1.054 405 N HN 0.519 nan 8.380 nan 0.000 0.555 406 R N -0.510 120.033 120.500 0.072 0.000 2.546 406 R HA 0.115 4.455 4.340 -0.000 0.000 0.320 406 R C 0.256 176.656 176.300 0.167 0.000 1.021 406 R CA 0.044 56.207 56.100 0.105 0.000 1.088 406 R CB 0.567 30.927 30.300 0.101 0.000 1.278 406 R HN 0.291 nan 8.270 nan 0.000 0.557 407 S N 0.273 116.062 115.700 0.148 0.000 2.554 407 S HA 0.338 4.808 4.470 -0.000 0.000 0.278 407 S C -0.214 174.464 174.600 0.129 0.000 1.242 407 S CA -0.786 57.532 58.200 0.197 0.000 1.051 407 S CB 1.992 65.292 63.200 0.168 0.000 0.986 407 S HN 0.064 nan 8.310 nan 0.000 0.502 408 E N 1.641 121.911 120.200 0.116 0.000 2.179 408 E HA 0.274 4.624 4.350 -0.000 0.000 0.275 408 E C -0.248 176.403 176.600 0.086 0.000 0.945 408 E CA -0.937 55.506 56.400 0.072 0.000 0.792 408 E CB 1.533 31.254 29.700 0.036 0.000 1.125 408 E HN 0.758 nan 8.360 nan 0.000 0.397 409 K N 2.083 122.530 120.400 0.078 0.000 2.230 409 K HA 0.161 4.481 4.320 -0.000 0.000 0.253 409 K C -0.711 175.974 176.600 0.142 0.000 1.008 409 K CA -0.252 56.095 56.287 0.099 0.000 0.910 409 K CB 0.614 33.151 32.500 0.061 0.000 0.994 409 K HN 0.398 nan 8.250 nan 0.000 0.495 410 F N 0.833 120.785 119.950 0.002 0.000 2.403 410 F HA 0.472 4.999 4.527 -0.000 0.000 0.355 410 F C 0.065 175.864 175.800 -0.002 0.000 1.119 410 F CA 0.847 58.844 58.000 -0.005 0.000 1.007 410 F CB 0.940 39.937 39.000 -0.004 0.000 1.194 410 F HN 1.052 nan 8.300 nan 0.000 0.443 411 G N 3.398 111.875 108.800 -0.539 0.000 2.566 411 G HA2 0.454 4.414 3.960 -0.000 0.000 0.599 411 G HA3 0.454 4.414 3.960 -0.000 0.000 0.599 411 G C -0.197 174.581 174.900 -0.204 0.000 1.292 411 G CA -0.352 44.467 45.100 -0.469 0.000 0.922 411 G HN 2.440 nan 8.290 nan 0.000 0.514 412 A N 0.000 122.726 122.820 -0.157 0.000 2.254 412 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 412 A CA 0.000 51.984 52.037 -0.088 0.000 0.836 412 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 412 A HN 0.000 nan 8.150 nan 0.000 0.486