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 1u2x_1_A DATA FIRST_RESID 24 DATA SEQUENCE IPEHLSIYTA YNANIDAIVK LNQETIQNLI NAFDPDEVKR RIEEYPREIN DATA SEQUENCE EPIDFVARLV HTLKLGKPAA VPLVNEKXNE WFDKTFRYEE ERLGGQAGII DATA SEQUENCE ANTLAGLKIR KVIAYTPFLP KRLAELFKKG VLYPVVENGE LQFKPIQEAY DATA SEQUENCE REGDPLKINR IFEFRKGLKF KLGDETIEIP NSGRFIVSAR FESISRIETR DATA SEQUENCE EDIKPFLGEI GKEVDGAIFS GYQGLRTKYS DGKDANYYLR RAKEDIIEFK DATA SEQUENCE EKDVKIHVEF ASVQDRKLRK KIITNILPFV DSVGIDEAEI AQILSVLGYR DATA SEQUENCE ELADRIFTYN RLEDSILGGX IILDELNFEI LQVHTTYYLX YITHRDNPLS DATA SEQUENCE EEELAKSLEF GTTLAAARAS LGDIRGPDDY KVGLKVPFNE RSEYVKLRFE DATA SEQUENCE EAKSRLRXRE YKVVVIPTRL VQNPVLTVGL GDTISAGAFL TYLEFLKRH 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 24 I HA 0.000 nan 4.170 nan 0.000 0.288 24 I C 0.000 176.045 176.117 -0.119 0.000 1.063 24 I CA 0.000 61.252 61.300 -0.080 0.000 1.566 24 I CB 0.000 37.987 38.000 -0.021 0.000 1.214 25 P HA 0.152 nan 4.420 nan 0.000 0.244 25 P C 0.296 177.451 177.300 -0.242 0.000 1.769 25 P CA -0.147 62.819 63.100 -0.224 0.000 1.102 25 P CB 0.135 31.582 31.700 -0.422 0.000 1.937 26 E N 1.067 121.240 120.200 -0.046 0.000 2.347 26 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 26 E C 1.427 178.005 176.600 -0.037 0.000 1.008 26 E CA 0.999 57.376 56.400 -0.039 0.000 0.852 26 E CB -0.800 28.907 29.700 0.011 0.000 0.783 26 E HN 0.501 nan 8.360 nan 0.000 0.505 27 H N 0.430 119.447 119.070 -0.089 0.000 2.555 27 H HA 0.167 4.722 4.556 -0.002 0.000 0.269 27 H C 0.333 175.610 175.328 -0.084 0.000 0.988 27 H CA 0.056 56.057 56.048 -0.079 0.000 1.178 27 H CB -0.478 29.235 29.762 -0.080 0.000 1.373 27 H HN 0.187 nan 8.280 nan 0.000 0.588 28 L N 1.421 122.360 121.223 -0.474 0.000 2.399 28 L HA 0.310 4.649 4.340 -0.001 0.000 0.266 28 L C 0.075 176.838 176.870 -0.179 0.000 1.114 28 L CA -0.523 54.106 54.840 -0.350 0.000 0.804 28 L CB 1.402 43.199 42.059 -0.438 0.000 1.146 28 L HN 0.023 nan 8.230 nan 0.000 0.451 29 S N 2.976 118.605 115.700 -0.118 0.000 2.532 29 S HA 0.682 5.152 4.470 -0.001 0.000 0.299 29 S C -0.743 173.848 174.600 -0.016 0.000 1.105 29 S CA -0.521 57.644 58.200 -0.059 0.000 1.018 29 S CB 1.831 65.005 63.200 -0.044 0.000 1.021 29 S HN 0.241 nan 8.310 nan 0.000 0.483 30 I N 2.789 123.372 120.570 0.022 0.000 2.582 30 I HA 0.382 4.551 4.170 -0.001 0.000 0.292 30 I C -1.024 175.180 176.117 0.145 0.000 1.066 30 I CA -0.856 60.492 61.300 0.081 0.000 1.053 30 I CB 1.739 39.776 38.000 0.062 0.000 1.241 30 I HN 0.740 nan 8.210 nan 0.000 0.421 31 Y N 4.868 125.189 120.300 0.035 0.000 2.360 31 Y HA 0.609 5.158 4.550 -0.001 0.000 0.337 31 Y C 0.062 175.973 175.900 0.018 0.000 1.039 31 Y CA -0.385 57.740 58.100 0.042 0.000 1.109 31 Y CB 1.544 40.041 38.460 0.061 0.000 1.201 31 Y HN 0.662 nan 8.280 nan 0.000 0.458 32 T N 2.680 117.045 114.554 -0.314 0.000 2.876 32 T HA 0.951 5.300 4.350 -0.001 0.000 0.289 32 T C -0.920 173.538 174.700 -0.404 0.000 1.014 32 T CA -0.496 61.492 62.100 -0.187 0.000 0.986 32 T CB 1.553 70.385 68.868 -0.060 0.000 1.021 32 T HN 1.026 nan 8.240 nan 0.000 0.458 33 A N 1.451 124.117 122.820 -0.256 0.000 2.609 33 A HA 0.739 5.058 4.320 -0.001 0.000 0.291 33 A C -1.280 176.133 177.584 -0.285 0.000 1.096 33 A CA -0.912 50.857 52.037 -0.446 0.000 0.684 33 A CB 0.888 19.309 19.000 -0.965 0.000 1.282 33 A HN 0.862 nan 8.150 nan 0.000 0.412 34 Y N 0.083 120.286 120.300 -0.161 0.000 2.499 34 Y HA 0.170 4.720 4.550 -0.002 0.000 0.253 34 Y C 0.618 176.433 175.900 -0.143 0.000 1.105 34 Y CA -0.491 57.518 58.100 -0.151 0.000 1.240 34 Y CB 0.612 38.936 38.460 -0.226 0.000 1.289 34 Y HN 0.681 nan 8.280 nan 0.000 0.534 35 N N 2.027 120.745 118.700 0.030 0.000 2.437 35 N HA 0.627 5.366 4.740 -0.001 0.000 0.259 35 N C -0.762 174.755 175.510 0.011 0.000 0.983 35 N CA -0.230 52.821 53.050 0.002 0.000 0.937 35 N CB 1.852 40.322 38.487 -0.028 0.000 1.122 35 N HN 0.088 nan 8.380 nan 0.000 0.499 36 A N 2.197 125.033 122.820 0.027 0.000 2.486 36 A HA 0.741 5.060 4.320 -0.001 0.000 0.300 36 A C -1.018 176.572 177.584 0.009 0.000 1.048 36 A CA -0.824 51.228 52.037 0.024 0.000 0.696 36 A CB 1.094 20.203 19.000 0.182 0.000 1.278 36 A HN 0.979 nan 8.150 nan 0.000 0.405 37 N N -0.143 118.523 118.700 -0.057 0.000 2.927 37 N HA 0.576 5.315 4.740 -0.001 0.000 0.248 37 N C -1.564 173.876 175.510 -0.117 0.000 1.443 37 N CA -0.772 52.242 53.050 -0.062 0.000 0.870 37 N CB 0.713 39.159 38.487 -0.068 0.000 1.444 37 N HN 0.450 nan 8.380 nan 0.000 0.519 38 I N 0.218 120.716 120.570 -0.119 0.000 2.353 38 I HA 0.309 4.478 4.170 -0.001 0.000 0.293 38 I C -0.714 175.294 176.117 -0.182 0.000 0.992 38 I CA -0.555 60.648 61.300 -0.162 0.000 1.268 38 I CB 1.041 38.939 38.000 -0.170 0.000 1.387 38 I HN 0.425 nan 8.210 nan 0.000 0.478 39 D N 5.932 126.216 120.400 -0.193 0.000 2.344 39 D HA 0.585 5.224 4.640 -0.001 0.000 0.239 39 D C -0.606 175.551 176.300 -0.238 0.000 1.064 39 D CA -0.110 53.770 54.000 -0.199 0.000 0.829 39 D CB 2.109 42.812 40.800 -0.162 0.000 1.129 39 D HN 0.567 nan 8.370 nan 0.000 0.506 40 A N 3.117 125.757 122.820 -0.300 0.000 2.355 40 A HA 0.698 5.017 4.320 -0.001 0.000 0.317 40 A C -0.511 176.913 177.584 -0.268 0.000 1.094 40 A CA -0.640 51.176 52.037 -0.369 0.000 0.764 40 A CB 0.889 19.428 19.000 -0.768 0.000 1.230 40 A HN 0.561 nan 8.150 nan 0.000 0.448 41 I N 2.493 122.974 120.570 -0.149 0.000 2.404 41 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 41 I C -0.856 175.214 176.117 -0.079 0.000 0.992 41 I CA -0.834 60.380 61.300 -0.142 0.000 1.149 41 I CB 2.026 39.966 38.000 -0.100 0.000 1.315 41 I HN 0.325 nan 8.210 nan 0.000 0.446 42 V N 6.587 126.362 119.914 -0.231 0.000 2.448 42 V HA 0.338 4.457 4.120 -0.001 0.000 0.295 42 V C -0.100 175.976 176.094 -0.030 0.000 1.025 42 V CA -0.974 61.218 62.300 -0.181 0.000 0.859 42 V CB 1.835 33.379 31.823 -0.466 0.000 0.988 42 V HN 0.545 nan 8.190 nan 0.000 0.431 43 K N 4.874 125.294 120.400 0.034 0.000 2.267 43 K HA 0.344 4.664 4.320 -0.001 0.000 0.282 43 K C -0.767 175.915 176.600 0.137 0.000 1.078 43 K CA -0.749 55.587 56.287 0.081 0.000 0.903 43 K CB 1.286 33.819 32.500 0.054 0.000 1.111 43 K HN 0.322 nan 8.250 nan 0.000 0.475 44 L N 5.049 126.386 121.223 0.190 0.000 2.400 44 L HA 0.011 4.351 4.340 -0.001 0.000 0.262 44 L C 1.096 178.049 176.870 0.137 0.000 1.309 44 L CA 0.302 55.254 54.840 0.186 0.000 1.186 44 L CB -1.730 40.451 42.059 0.205 0.000 1.375 44 L HN 0.601 nan 8.230 nan 0.000 0.433 45 N N 0.537 119.305 118.700 0.113 0.000 2.374 45 N HA 0.049 4.788 4.740 -0.001 0.000 0.284 45 N C 0.670 176.230 175.510 0.083 0.000 1.280 45 N CA -0.732 52.374 53.050 0.093 0.000 0.963 45 N CB 0.815 39.347 38.487 0.075 0.000 1.141 45 N HN 0.430 nan 8.380 nan 0.000 0.565 46 Q N -0.095 119.754 119.800 0.082 0.000 2.046 46 Q HA -0.220 4.119 4.340 -0.001 0.000 0.200 46 Q C 1.874 177.914 176.000 0.066 0.000 0.975 46 Q CA 1.589 57.444 55.803 0.086 0.000 0.836 46 Q CB -0.051 28.739 28.738 0.087 0.000 0.896 46 Q HN 0.751 nan 8.270 nan 0.000 0.428 47 E N -0.904 119.329 120.200 0.056 0.000 2.051 47 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 47 E C 1.809 178.433 176.600 0.041 0.000 0.991 47 E CA 1.756 58.181 56.400 0.042 0.000 0.799 47 E CB 0.079 29.799 29.700 0.033 0.000 0.748 47 E HN 0.322 nan 8.360 nan 0.000 0.449 48 T N 1.212 115.802 114.554 0.061 0.000 2.684 48 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 48 T C 1.878 176.629 174.700 0.086 0.000 1.036 48 T CA 1.455 63.614 62.100 0.098 0.000 1.148 48 T CB -0.299 68.671 68.868 0.170 0.000 0.863 48 T HN 0.242 nan 8.240 nan 0.000 0.436 49 I N 0.784 121.369 120.570 0.025 0.000 2.286 49 I HA -0.071 4.098 4.170 -0.001 0.000 0.245 49 I C 2.378 178.426 176.117 -0.115 0.000 1.104 49 I CA 1.548 62.779 61.300 -0.115 0.000 1.397 49 I CB -0.455 37.343 38.000 -0.337 0.000 1.072 49 I HN 0.037 nan 8.210 nan 0.000 0.417 50 Q N 0.928 120.714 119.800 -0.025 0.000 2.079 50 Q HA -0.183 4.156 4.340 -0.001 0.000 0.200 50 Q C 2.018 178.038 176.000 0.034 0.000 0.974 50 Q CA 2.284 58.109 55.803 0.037 0.000 0.840 50 Q CB -0.474 28.312 28.738 0.080 0.000 0.898 50 Q HN 0.689 nan 8.270 nan 0.000 0.430 51 N N -0.771 117.940 118.700 0.019 0.000 2.166 51 N HA -0.167 4.572 4.740 -0.001 0.000 0.186 51 N C 1.512 177.030 175.510 0.014 0.000 1.019 51 N CA 0.970 54.021 53.050 0.002 0.000 0.856 51 N CB -0.126 38.345 38.487 -0.027 0.000 0.993 51 N HN 0.188 nan 8.380 nan 0.000 0.426 52 L N 0.933 122.177 121.223 0.035 0.000 2.017 52 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 52 L C 1.747 178.767 176.870 0.251 0.000 1.073 52 L CA 1.421 56.340 54.840 0.133 0.000 0.745 52 L CB -0.324 41.833 42.059 0.163 0.000 0.894 52 L HN 0.134 nan 8.230 nan 0.000 0.432 53 I N 0.093 120.743 120.570 0.133 0.000 2.286 53 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 53 I C 2.237 178.493 176.117 0.232 0.000 1.115 53 I CA 1.308 62.713 61.300 0.175 0.000 1.392 53 I CB -1.736 36.313 38.000 0.081 0.000 1.065 53 I HN 0.447 nan 8.210 nan 0.000 0.418 54 N N 0.777 119.554 118.700 0.128 0.000 2.272 54 N HA -0.156 4.583 4.740 -0.001 0.000 0.185 54 N C 1.804 177.328 175.510 0.024 0.000 1.014 54 N CA 1.080 54.172 53.050 0.069 0.000 0.870 54 N CB -0.011 38.496 38.487 0.033 0.000 0.975 54 N HN 0.357 nan 8.380 nan 0.000 0.433 55 A N 0.338 123.151 122.820 -0.012 0.000 2.067 55 A HA 0.017 4.337 4.320 -0.001 0.000 0.219 55 A C 0.366 177.690 177.584 -0.433 0.000 1.158 55 A CA 0.873 52.746 52.037 -0.273 0.000 0.661 55 A CB -0.120 18.612 19.000 -0.447 0.000 0.801 55 A HN 0.112 nan 8.150 nan 0.000 0.452 56 F N -0.656 119.301 119.950 0.011 0.000 2.483 56 F HA 0.424 4.950 4.527 -0.002 0.000 0.329 56 F C 0.218 176.016 175.800 -0.003 0.000 1.064 56 F CA -1.555 56.444 58.000 -0.001 0.000 0.986 56 F CB 0.654 39.648 39.000 -0.010 0.000 1.218 56 F HN -0.020 nan 8.300 nan 0.000 0.484 57 D N 2.899 123.399 120.400 0.167 0.000 2.382 57 D HA 0.134 4.773 4.640 -0.001 0.000 0.259 57 D C -1.779 174.581 176.300 0.099 0.000 1.224 57 D CA -1.515 52.544 54.000 0.099 0.000 0.894 57 D CB 1.034 41.871 40.800 0.063 0.000 1.127 57 D HN 0.081 nan 8.370 nan 0.000 0.487 58 P HA -0.175 nan 4.420 nan 0.000 0.215 58 P C 0.630 177.950 177.300 0.032 0.000 1.163 58 P CA 1.172 64.305 63.100 0.055 0.000 0.894 58 P CB 0.188 31.914 31.700 0.043 0.000 0.791 59 D N -0.946 119.470 120.400 0.026 0.000 2.219 59 D HA -0.142 4.497 4.640 -0.001 0.000 0.205 59 D C 1.932 178.240 176.300 0.012 0.000 0.970 59 D CA 0.878 54.887 54.000 0.015 0.000 0.851 59 D CB -0.386 40.421 40.800 0.012 0.000 0.943 59 D HN 0.225 nan 8.370 nan 0.000 0.488 60 E N 0.977 121.191 120.200 0.023 0.000 2.077 60 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 60 E C 2.079 178.677 176.600 -0.004 0.000 0.989 60 E CA 0.670 57.083 56.400 0.021 0.000 0.800 60 E CB -0.165 29.565 29.700 0.050 0.000 0.746 60 E HN -0.001 nan 8.360 nan 0.000 0.452 61 V N 0.721 120.630 119.914 -0.008 0.000 2.261 61 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 61 V C 2.242 178.305 176.094 -0.051 0.000 1.047 61 V CA 2.272 64.532 62.300 -0.067 0.000 1.015 61 V CB -0.497 31.285 31.823 -0.069 0.000 0.642 61 V HN 0.249 nan 8.190 nan 0.000 0.446 62 K N -0.381 120.007 120.400 -0.020 0.000 2.044 62 K HA -0.223 4.096 4.320 -0.001 0.000 0.210 62 K C 2.428 179.023 176.600 -0.008 0.000 1.049 62 K CA 1.749 58.031 56.287 -0.008 0.000 0.927 62 K CB -0.290 32.211 32.500 0.001 0.000 0.713 62 K HN 0.309 nan 8.250 nan 0.000 0.443 63 R N 0.271 120.765 120.500 -0.010 0.000 2.081 63 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 63 R C 2.389 178.679 176.300 -0.016 0.000 1.131 63 R CA 1.450 57.544 56.100 -0.009 0.000 0.960 63 R CB -0.145 30.151 30.300 -0.006 0.000 0.856 63 R HN 0.028 nan 8.270 nan 0.000 0.436 64 R N 0.915 121.395 120.500 -0.033 0.000 2.148 64 R HA 0.015 4.354 4.340 -0.001 0.000 0.223 64 R C 2.020 178.291 176.300 -0.049 0.000 1.088 64 R CA 0.958 57.027 56.100 -0.051 0.000 0.985 64 R CB -0.216 30.033 30.300 -0.085 0.000 0.880 64 R HN 0.200 nan 8.270 nan 0.000 0.451 65 I N 0.389 120.936 120.570 -0.038 0.000 2.202 65 I HA -0.214 3.955 4.170 -0.001 0.000 0.242 65 I C 2.328 178.465 176.117 0.033 0.000 1.091 65 I CA 1.358 62.650 61.300 -0.014 0.000 1.368 65 I CB -0.567 37.444 38.000 0.018 0.000 1.058 65 I HN 0.368 nan 8.210 nan 0.000 0.410 66 E N 1.910 122.125 120.200 0.025 0.000 2.072 66 E HA -0.228 4.121 4.350 -0.001 0.000 0.191 66 E C 1.805 178.429 176.600 0.040 0.000 0.985 66 E CA 1.384 57.800 56.400 0.026 0.000 0.801 66 E CB 0.039 29.746 29.700 0.012 0.000 0.750 66 E HN 0.659 nan 8.360 nan 0.000 0.452 67 E N -0.611 119.608 120.200 0.032 0.000 2.409 67 E HA -0.178 4.171 4.350 -0.001 0.000 0.198 67 E C -0.180 176.476 176.600 0.094 0.000 1.024 67 E CA 0.093 56.517 56.400 0.041 0.000 0.861 67 E CB -0.742 28.966 29.700 0.013 0.000 0.788 67 E HN 0.273 nan 8.360 nan 0.000 0.521 68 Y N 1.240 121.488 120.300 -0.087 0.000 2.944 68 Y HA -0.164 4.385 4.550 -0.002 0.000 0.136 68 Y C -2.243 173.618 175.900 -0.066 0.000 1.830 68 Y CA -0.651 57.384 58.100 -0.108 0.000 0.957 68 Y CB -0.764 37.622 38.460 -0.122 0.000 1.558 68 Y HN 0.181 nan 8.280 nan 0.000 0.345 69 P HA 0.155 nan 4.420 nan 0.000 0.276 69 P C -0.043 177.104 177.300 -0.254 0.000 1.235 69 P CA -0.162 62.830 63.100 -0.181 0.000 0.772 69 P CB 0.966 32.588 31.700 -0.129 0.000 0.871 70 R N 2.074 122.502 120.500 -0.120 0.000 2.397 70 R HA 0.175 4.514 4.340 -0.001 0.000 0.241 70 R C 0.260 176.540 176.300 -0.033 0.000 0.914 70 R CA 0.268 56.318 56.100 -0.082 0.000 1.071 70 R CB 0.261 30.567 30.300 0.010 0.000 1.116 70 R HN 0.605 nan 8.270 nan 0.000 0.524 71 E N 0.680 120.868 120.200 -0.021 0.000 2.408 71 E HA 0.431 4.780 4.350 -0.001 0.000 0.275 71 E C -1.200 175.420 176.600 0.033 0.000 0.935 71 E CA -0.978 55.431 56.400 0.016 0.000 0.775 71 E CB 1.615 31.327 29.700 0.020 0.000 1.277 71 E HN -0.018 nan 8.360 nan 0.000 0.455 72 I N 2.742 123.361 120.570 0.080 0.000 2.291 72 I HA 0.174 4.343 4.170 -0.001 0.000 0.290 72 I C 0.713 176.868 176.117 0.064 0.000 1.050 72 I CA -0.373 60.989 61.300 0.103 0.000 1.245 72 I CB 0.427 38.561 38.000 0.224 0.000 1.405 72 I HN 0.518 nan 8.210 nan 0.000 0.478 73 N N 3.649 122.355 118.700 0.011 0.000 2.439 73 N HA 0.100 4.839 4.740 -0.001 0.000 0.176 73 N C 0.252 175.721 175.510 -0.068 0.000 1.029 73 N CA 0.633 53.672 53.050 -0.017 0.000 0.886 73 N CB 0.772 39.246 38.487 -0.022 0.000 1.057 73 N HN 0.525 nan 8.380 nan 0.000 0.437 74 E N -0.752 119.387 120.200 -0.101 0.000 2.392 74 E HA 0.330 4.679 4.350 -0.001 0.000 0.269 74 E C -1.927 174.503 176.600 -0.284 0.000 0.924 74 E CA -1.851 54.435 56.400 -0.189 0.000 0.784 74 E CB 1.539 31.154 29.700 -0.141 0.000 1.292 74 E HN -0.204 nan 8.360 nan 0.000 0.447 75 P HA -0.079 nan 4.420 nan 0.000 0.218 75 P C 1.382 178.477 177.300 -0.342 0.000 1.148 75 P CA 0.688 63.356 63.100 -0.719 0.000 0.822 75 P CB 0.399 31.504 31.700 -0.991 0.000 0.784 76 I N -0.022 120.411 120.570 -0.228 0.000 2.439 76 I HA -0.170 3.999 4.170 -0.001 0.000 0.251 76 I C 1.120 177.076 176.117 -0.268 0.000 1.139 76 I CA 1.759 62.861 61.300 -0.331 0.000 1.438 76 I CB -0.863 37.056 38.000 -0.134 0.000 1.085 76 I HN -0.050 nan 8.210 nan 0.000 0.427 77 D N 0.525 120.833 120.400 -0.153 0.000 2.116 77 D HA -0.284 4.355 4.640 -0.001 0.000 0.193 77 D C 1.975 178.251 176.300 -0.041 0.000 0.998 77 D CA 1.324 55.270 54.000 -0.091 0.000 0.836 77 D CB -0.678 40.102 40.800 -0.033 0.000 0.951 77 D HN 0.340 nan 8.370 nan 0.000 0.449 78 F N 1.604 121.470 119.950 -0.140 0.000 2.075 78 F HA -0.194 4.332 4.527 -0.002 0.000 0.297 78 F C 2.328 178.018 175.800 -0.183 0.000 1.113 78 F CA 1.104 59.083 58.000 -0.034 0.000 1.218 78 F CB -0.765 38.285 39.000 0.084 0.000 0.984 78 F HN -0.136 nan 8.300 nan 0.000 0.472 79 V N 0.833 120.387 119.914 -0.599 0.000 2.343 79 V HA -0.219 3.901 4.120 -0.001 0.000 0.247 79 V C 2.513 178.250 176.094 -0.595 0.000 1.051 79 V CA 2.094 63.927 62.300 -0.779 0.000 1.036 79 V CB -1.134 30.203 31.823 -0.810 0.000 0.654 79 V HN 0.542 nan 8.190 nan 0.000 0.451 80 A N 0.340 122.898 122.820 -0.436 0.000 1.859 80 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 80 A C 2.315 179.738 177.584 -0.270 0.000 1.198 80 A CA 2.041 53.904 52.037 -0.289 0.000 0.629 80 A CB -0.749 18.121 19.000 -0.217 0.000 0.830 80 A HN 0.502 nan 8.150 nan 0.000 0.446 81 R N -0.977 119.358 120.500 -0.276 0.000 2.091 81 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 81 R C 2.100 178.109 176.300 -0.485 0.000 1.136 81 R CA 1.469 57.437 56.100 -0.220 0.000 0.959 81 R CB -1.451 28.857 30.300 0.013 0.000 0.856 81 R HN 0.550 nan 8.270 nan 0.000 0.437 82 L N 0.920 121.541 121.223 -1.003 0.000 1.989 82 L HA -0.158 4.181 4.340 -0.001 0.000 0.211 82 L C 2.387 178.811 176.870 -0.743 0.000 1.071 82 L CA 1.799 55.800 54.840 -1.400 0.000 0.749 82 L CB -0.750 40.421 42.059 -1.480 0.000 0.890 82 L HN 0.079 nan 8.230 nan 0.000 0.431 83 V N -2.661 116.947 119.914 -0.510 0.000 2.427 83 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 83 V C 2.532 178.547 176.094 -0.131 0.000 1.051 83 V CA 1.871 64.009 62.300 -0.269 0.000 1.048 83 V CB -1.448 30.302 31.823 -0.121 0.000 0.666 83 V HN 0.737 nan 8.190 nan 0.000 0.456 84 H N 1.292 120.254 119.070 -0.181 0.000 2.319 84 H HA -0.173 4.383 4.556 -0.001 0.000 0.297 84 H C 2.286 177.559 175.328 -0.091 0.000 1.097 84 H CA 2.777 58.774 56.048 -0.085 0.000 1.285 84 H CB -0.674 29.079 29.762 -0.015 0.000 1.368 84 H HN 0.417 nan 8.280 nan 0.000 0.495 85 T N 0.373 114.818 114.554 -0.183 0.000 2.833 85 T HA -0.074 4.276 4.350 -0.001 0.000 0.269 85 T C 2.088 176.548 174.700 -0.399 0.000 1.054 85 T CA 1.271 63.239 62.100 -0.220 0.000 1.135 85 T CB -0.188 68.637 68.868 -0.072 0.000 0.869 85 T HN 0.254 nan 8.240 nan 0.000 0.466 86 L N 0.680 121.633 121.223 -0.450 0.000 2.109 86 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 86 L C 2.505 179.243 176.870 -0.219 0.000 1.086 86 L CA 1.213 55.757 54.840 -0.493 0.000 0.760 86 L CB -0.322 41.553 42.059 -0.308 0.000 0.910 86 L HN 0.286 nan 8.230 nan 0.000 0.437 87 K N 0.093 120.403 120.400 -0.150 0.000 2.137 87 K HA -0.094 4.225 4.320 -0.001 0.000 0.202 87 K C 1.888 178.416 176.600 -0.120 0.000 1.052 87 K CA 1.046 57.267 56.287 -0.109 0.000 0.961 87 K CB -0.395 32.045 32.500 -0.100 0.000 0.741 87 K HN -0.049 nan 8.250 nan 0.000 0.452 88 L N 0.884 121.996 121.223 -0.184 0.000 2.083 88 L HA 0.105 4.444 4.340 -0.001 0.000 0.209 88 L C 1.576 178.416 176.870 -0.049 0.000 1.083 88 L CA 2.257 57.012 54.840 -0.141 0.000 0.752 88 L CB -0.733 41.189 42.059 -0.228 0.000 0.899 88 L HN 0.725 nan 8.230 nan 0.000 0.433 89 G N -0.584 108.187 108.800 -0.048 0.000 2.147 89 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.244 89 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.244 89 G C 0.116 175.159 174.900 0.239 0.000 1.005 89 G CA 0.529 45.694 45.100 0.109 0.000 0.713 89 G HN 0.509 nan 8.290 nan 0.000 0.515 90 K N 0.320 120.819 120.400 0.166 0.000 2.274 90 K HA 0.754 5.073 4.320 -0.001 0.000 0.262 90 K C -2.222 174.559 176.600 0.302 0.000 0.961 90 K CA -2.505 53.903 56.287 0.202 0.000 0.833 90 K CB 2.291 34.861 32.500 0.117 0.000 1.102 90 K HN 0.047 nan 8.250 nan 0.000 0.436 91 P HA 0.125 nan 4.420 nan 0.000 0.269 91 P C -0.905 176.553 177.300 0.264 0.000 1.217 91 P CA -0.310 62.992 63.100 0.337 0.000 0.783 91 P CB 0.786 32.601 31.700 0.191 0.000 0.898 92 A N 0.242 123.217 122.820 0.258 0.000 2.604 92 A HA 0.697 5.016 4.320 -0.001 0.000 0.295 92 A C -1.526 176.026 177.584 -0.055 0.000 1.067 92 A CA -0.402 51.733 52.037 0.163 0.000 0.683 92 A CB 1.408 20.602 19.000 0.323 0.000 1.281 92 A HN 0.567 nan 8.150 nan 0.000 0.407 93 A N 0.658 123.421 122.820 -0.096 0.000 2.343 93 A HA 0.771 5.090 4.320 -0.001 0.000 0.316 93 A C -1.046 176.434 177.584 -0.174 0.000 1.104 93 A CA -0.530 51.395 52.037 -0.185 0.000 0.768 93 A CB 1.275 20.224 19.000 -0.086 0.000 1.213 93 A HN 1.648 nan 8.150 nan 0.000 0.456 94 V N 3.793 123.564 119.914 -0.238 0.000 2.623 94 V HA 0.463 4.583 4.120 -0.001 0.000 0.304 94 V C -2.576 173.497 176.094 -0.036 0.000 1.054 94 V CA -1.667 60.575 62.300 -0.098 0.000 0.882 94 V CB 2.037 33.846 31.823 -0.025 0.000 1.002 94 V HN 0.829 nan 8.190 nan 0.000 0.424 95 P HA 0.181 nan 4.420 nan 0.000 0.271 95 P C -0.626 176.722 177.300 0.081 0.000 1.216 95 P CA -0.128 62.985 63.100 0.021 0.000 0.776 95 P CB 1.151 32.857 31.700 0.011 0.000 0.881 96 L N 4.915 126.208 121.223 0.117 0.000 2.265 96 L HA 0.210 4.549 4.340 -0.001 0.000 0.288 96 L C 0.773 177.783 176.870 0.232 0.000 1.058 96 L CA -0.461 54.502 54.840 0.206 0.000 0.809 96 L CB 1.247 43.472 42.059 0.276 0.000 1.179 96 L HN 0.214 nan 8.230 nan 0.000 0.429 97 V N 1.164 121.193 119.914 0.191 0.000 3.159 97 V HA 0.331 4.451 4.120 -0.001 0.000 0.333 97 V C 0.107 176.295 176.094 0.157 0.000 1.424 97 V CA -0.447 61.961 62.300 0.179 0.000 1.125 97 V CB -0.054 31.823 31.823 0.089 0.000 1.075 97 V HN 0.857 nan 8.190 nan 0.000 0.482 98 N N 0.814 119.581 118.700 0.112 0.000 2.540 98 N HA 0.228 4.967 4.740 -0.001 0.000 0.275 98 N C 0.657 175.998 175.510 -0.282 0.000 1.053 98 N CA -0.085 52.940 53.050 -0.042 0.000 0.876 98 N CB 1.953 40.419 38.487 -0.034 0.000 1.284 98 N HN 0.350 nan 8.380 nan 0.000 0.518 99 E N 2.272 122.064 120.200 -0.681 0.000 2.147 99 E HA -0.202 4.147 4.350 -0.001 0.000 0.199 99 E C 0.254 176.545 176.600 -0.515 0.000 1.005 99 E CA 1.402 57.075 56.400 -1.212 0.000 0.810 99 E CB 0.284 29.422 29.700 -0.935 0.000 0.736 99 E HN 0.489 nan 8.360 nan 0.000 0.460 103 E N 0.398 120.689 120.200 0.152 0.000 2.106 103 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 103 E C 1.335 178.017 176.600 0.136 0.000 0.984 103 E CA 1.244 57.717 56.400 0.122 0.000 0.806 103 E CB 0.077 29.822 29.700 0.074 0.000 0.750 103 E HN 0.388 nan 8.360 nan 0.000 0.458 104 W N 0.679 121.972 121.300 -0.011 0.000 2.354 104 W HA -0.185 4.474 4.660 -0.001 0.000 0.315 104 W C 1.574 178.073 176.519 -0.035 0.000 1.206 104 W CA 1.527 58.822 57.345 -0.084 0.000 1.290 104 W CB -0.575 28.770 29.460 -0.192 0.000 1.152 104 W HN -0.028 nan 8.180 nan 0.000 0.489 105 F N 1.256 121.310 119.950 0.173 0.000 2.065 105 F HA -0.336 4.190 4.527 -0.001 0.000 0.298 105 F C 2.391 178.221 175.800 0.051 0.000 1.112 105 F CA 2.035 60.105 58.000 0.117 0.000 1.212 105 F CB -0.823 38.366 39.000 0.315 0.000 0.975 105 F HN -0.166 nan 8.300 nan 0.000 0.476 106 D N 0.182 120.771 120.400 0.315 0.000 2.144 106 D HA -0.178 4.461 4.640 -0.001 0.000 0.199 106 D C 2.068 178.373 176.300 0.009 0.000 0.984 106 D CA 1.543 55.683 54.000 0.232 0.000 0.834 106 D CB -0.453 40.486 40.800 0.230 0.000 0.955 106 D HN 0.426 nan 8.370 nan 0.000 0.465 107 K N 0.169 120.513 120.400 -0.093 0.000 2.167 107 K HA -0.007 4.312 4.320 -0.001 0.000 0.203 107 K C 1.733 178.132 176.600 -0.335 0.000 1.052 107 K CA 1.121 57.301 56.287 -0.179 0.000 0.956 107 K CB -0.196 32.220 32.500 -0.141 0.000 0.735 107 K HN -0.115 nan 8.250 nan 0.000 0.451 108 T N 0.369 114.572 114.554 -0.585 0.000 2.851 108 T HA 0.073 4.422 4.350 -0.001 0.000 0.262 108 T C 0.126 174.361 174.700 -0.775 0.000 1.043 108 T CA 0.863 62.447 62.100 -0.860 0.000 1.140 108 T CB -0.142 67.798 68.868 -1.546 0.000 0.872 108 T HN 0.094 nan 8.240 nan 0.000 0.446 109 F N 0.299 120.078 119.950 -0.286 0.000 2.523 109 F HA 0.627 5.153 4.527 -0.001 0.000 0.329 109 F C 0.401 175.915 175.800 -0.477 0.000 1.061 109 F CA -1.434 56.387 58.000 -0.298 0.000 0.967 109 F CB 1.254 40.114 39.000 -0.233 0.000 1.218 109 F HN -0.334 nan 8.300 nan 0.000 0.480 110 R N 0.579 120.965 120.500 -0.189 0.000 2.474 110 R HA 0.465 4.804 4.340 -0.001 0.000 0.295 110 R C -1.792 174.303 176.300 -0.341 0.000 0.980 110 R CA -0.658 55.294 56.100 -0.247 0.000 0.934 110 R CB 0.944 31.197 30.300 -0.078 0.000 1.101 110 R HN 0.642 nan 8.270 nan 0.000 0.469 111 Y N 1.789 122.096 120.300 0.011 0.000 2.328 111 Y HA 0.095 4.644 4.550 -0.002 0.000 0.337 111 Y C 1.102 176.979 175.900 -0.040 0.000 1.008 111 Y CA -0.567 57.507 58.100 -0.044 0.000 1.129 111 Y CB 1.748 40.167 38.460 -0.069 0.000 1.185 111 Y HN 0.683 nan 8.280 nan 0.000 0.476 112 E N 1.760 122.003 120.200 0.073 0.000 2.097 112 E HA -0.195 4.154 4.350 -0.001 0.000 0.196 112 E C -0.122 176.493 176.600 0.025 0.000 1.000 112 E CA 1.368 57.788 56.400 0.032 0.000 0.804 112 E CB 0.252 29.956 29.700 0.007 0.000 0.740 112 E HN 0.731 nan 8.360 nan 0.000 0.454 113 E N -0.794 119.419 120.200 0.022 0.000 2.354 113 E HA 0.191 4.540 4.350 -0.001 0.000 0.283 113 E C -1.448 175.114 176.600 -0.063 0.000 0.938 113 E CA -0.375 56.013 56.400 -0.021 0.000 0.777 113 E CB 1.110 30.784 29.700 -0.043 0.000 1.222 113 E HN -0.092 nan 8.360 nan 0.000 0.423 114 E N 3.622 123.769 120.200 -0.090 0.000 2.176 114 E HA 0.422 4.771 4.350 -0.001 0.000 0.267 114 E C -0.674 175.846 176.600 -0.133 0.000 0.893 114 E CA -0.696 55.610 56.400 -0.156 0.000 0.761 114 E CB 1.880 31.478 29.700 -0.170 0.000 1.133 114 E HN 0.441 nan 8.360 nan 0.000 0.409 115 R N 2.109 122.519 120.500 -0.151 0.000 2.867 115 R HA 0.518 4.857 4.340 -0.001 0.000 0.268 115 R C -0.672 175.521 176.300 -0.179 0.000 1.014 115 R CA -0.991 55.021 56.100 -0.147 0.000 0.946 115 R CB 1.065 31.289 30.300 -0.127 0.000 1.208 115 R HN 0.334 nan 8.270 nan 0.000 0.477 116 L N 1.486 122.584 121.223 -0.208 0.000 2.410 116 L HA 0.410 4.749 4.340 -0.001 0.000 0.273 116 L C 0.001 176.737 176.870 -0.222 0.000 1.152 116 L CA 0.486 55.159 54.840 -0.279 0.000 0.855 116 L CB 1.016 42.831 42.059 -0.407 0.000 1.129 116 L HN 0.991 nan 8.230 nan 0.000 0.463 117 G N 1.548 110.224 108.800 -0.207 0.000 2.949 117 G HA2 0.674 4.633 3.960 -0.001 0.000 0.285 117 G HA3 0.674 4.633 3.960 -0.001 0.000 0.285 117 G C -0.583 174.235 174.900 -0.138 0.000 1.395 117 G CA -0.262 44.745 45.100 -0.155 0.000 0.901 117 G HN 0.981 nan 8.290 nan 0.000 0.519 118 G N -1.259 107.483 108.800 -0.098 0.000 3.039 118 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.686 118 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.686 118 G C 0.511 175.379 174.900 -0.054 0.000 1.066 118 G CA 0.401 45.461 45.100 -0.068 0.000 0.774 118 G HN 0.799 nan 8.290 nan 0.000 0.591 119 Q N 1.264 121.046 119.800 -0.031 0.000 2.045 119 Q HA -0.164 4.175 4.340 -0.001 0.000 0.206 119 Q C 3.203 179.204 176.000 0.002 0.000 0.991 119 Q CA 2.890 58.687 55.803 -0.010 0.000 0.851 119 Q CB -0.187 28.559 28.738 0.013 0.000 0.911 119 Q HN 1.343 nan 8.270 nan 0.000 0.418 120 A N 1.120 123.946 122.820 0.011 0.000 1.908 120 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 120 A C 2.324 179.947 177.584 0.066 0.000 1.181 120 A CA 1.825 53.879 52.037 0.028 0.000 0.627 120 A CB -1.500 17.504 19.000 0.006 0.000 0.818 120 A HN 0.509 nan 8.150 nan 0.000 0.445 121 G N 0.075 108.900 108.800 0.043 0.000 2.514 121 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 121 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 121 G C 1.540 176.378 174.900 -0.103 0.000 1.198 121 G CA 1.252 46.308 45.100 -0.072 0.000 0.780 121 G HN 0.483 nan 8.290 nan 0.000 0.565 122 I N 0.499 121.013 120.570 -0.095 0.000 2.208 122 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 122 I C 2.699 178.802 176.117 -0.023 0.000 1.097 122 I CA 0.823 62.079 61.300 -0.073 0.000 1.363 122 I CB -0.161 37.799 38.000 -0.067 0.000 1.051 122 I HN 0.180 nan 8.210 nan 0.000 0.413 123 I N 0.427 121.000 120.570 0.004 0.000 2.202 123 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 123 I C 2.781 178.927 176.117 0.049 0.000 1.091 123 I CA 1.264 62.581 61.300 0.028 0.000 1.368 123 I CB -0.429 37.593 38.000 0.037 0.000 1.058 123 I HN 0.176 nan 8.210 nan 0.000 0.410 124 A N 0.825 123.691 122.820 0.078 0.000 1.902 124 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 124 A C 2.039 179.691 177.584 0.113 0.000 1.181 124 A CA 2.104 54.212 52.037 0.119 0.000 0.623 124 A CB -0.698 18.445 19.000 0.239 0.000 0.818 124 A HN 0.385 nan 8.150 nan 0.000 0.443 125 N N -0.479 118.273 118.700 0.086 0.000 2.188 125 N HA -0.082 4.657 4.740 -0.001 0.000 0.184 125 N C 1.756 177.287 175.510 0.034 0.000 1.018 125 N CA 1.824 54.906 53.050 0.054 0.000 0.858 125 N CB -0.655 37.819 38.487 -0.021 0.000 0.989 125 N HN 0.486 nan 8.380 nan 0.000 0.426 126 T N 1.457 116.025 114.554 0.024 0.000 2.674 126 T HA -0.033 4.316 4.350 -0.001 0.000 0.265 126 T C 2.023 176.751 174.700 0.046 0.000 1.039 126 T CA 0.771 62.888 62.100 0.029 0.000 1.150 126 T CB -0.344 68.539 68.868 0.025 0.000 0.864 126 T HN 0.139 nan 8.240 nan 0.000 0.427 127 L N 0.759 122.012 121.223 0.051 0.000 2.042 127 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 127 L C 3.018 179.911 176.870 0.037 0.000 1.076 127 L CA 1.400 56.268 54.840 0.046 0.000 0.749 127 L CB -0.696 41.388 42.059 0.041 0.000 0.893 127 L HN 0.260 nan 8.230 nan 0.000 0.432 128 A N 0.123 122.969 122.820 0.044 0.000 1.969 128 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 128 A C 2.383 179.989 177.584 0.035 0.000 1.169 128 A CA 1.421 53.483 52.037 0.041 0.000 0.635 128 A CB -0.994 18.042 19.000 0.059 0.000 0.810 128 A HN 0.447 nan 8.150 nan 0.000 0.445 129 G N -0.142 108.680 108.800 0.037 0.000 2.408 129 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.217 129 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.217 129 G C 1.401 176.322 174.900 0.036 0.000 1.150 129 G CA 0.878 45.997 45.100 0.032 0.000 0.776 129 G HN 0.446 nan 8.290 nan 0.000 0.542 130 L N -0.560 120.689 121.223 0.044 0.000 2.456 130 L HA 0.097 4.436 4.340 -0.001 0.000 0.224 130 L C 0.991 177.877 176.870 0.027 0.000 1.148 130 L CA 0.393 55.262 54.840 0.048 0.000 0.825 130 L CB -0.169 41.931 42.059 0.067 0.000 0.937 130 L HN 0.204 nan 8.230 nan 0.000 0.450 131 K N 0.975 121.387 120.400 0.020 0.000 3.150 131 K HA -0.193 4.126 4.320 -0.001 0.000 0.267 131 K C 0.264 176.861 176.600 -0.004 0.000 1.028 131 K CA 0.418 56.711 56.287 0.010 0.000 0.753 131 K CB -1.774 30.734 32.500 0.013 0.000 1.288 131 K HN 0.512 nan 8.250 nan 0.000 0.473 132 I N -2.847 117.714 120.570 -0.015 0.000 3.269 132 I HA 0.071 4.240 4.170 -0.001 0.000 0.287 132 I C 1.813 177.908 176.117 -0.037 0.000 1.152 132 I CA -0.437 60.837 61.300 -0.043 0.000 1.263 132 I CB 0.614 38.571 38.000 -0.070 0.000 1.439 132 I HN 0.163 nan 8.210 nan 0.000 0.637 133 R N 1.677 122.147 120.500 -0.050 0.000 2.081 133 R HA 0.005 4.344 4.340 -0.001 0.000 0.235 133 R C 0.309 176.582 176.300 -0.045 0.000 1.131 133 R CA 1.651 57.728 56.100 -0.039 0.000 0.960 133 R CB 0.114 30.393 30.300 -0.036 0.000 0.856 133 R HN 0.780 nan 8.270 nan 0.000 0.436 134 K N -0.653 119.715 120.400 -0.053 0.000 2.557 134 K HA 0.293 4.612 4.320 -0.001 0.000 0.257 134 K C -2.006 174.570 176.600 -0.041 0.000 0.933 134 K CA -0.730 55.520 56.287 -0.062 0.000 0.820 134 K CB 2.410 34.853 32.500 -0.094 0.000 1.330 134 K HN -0.063 nan 8.250 nan 0.000 0.432 135 V N 5.558 125.453 119.914 -0.031 0.000 2.447 135 V HA 0.472 4.591 4.120 -0.001 0.000 0.292 135 V C -0.610 175.480 176.094 -0.007 0.000 1.021 135 V CA -0.688 61.611 62.300 -0.002 0.000 0.850 135 V CB 1.404 33.237 31.823 0.017 0.000 1.005 135 V HN 0.616 nan 8.190 nan 0.000 0.426 136 I N 4.169 124.749 120.570 0.016 0.000 2.378 136 I HA 0.803 4.973 4.170 -0.001 0.000 0.291 136 I C 0.336 176.391 176.117 -0.104 0.000 0.992 136 I CA -0.429 60.890 61.300 0.031 0.000 1.154 136 I CB 1.908 40.027 38.000 0.197 0.000 1.315 136 I HN 0.651 nan 8.210 nan 0.000 0.448 137 A N 6.043 128.788 122.820 -0.123 0.000 2.340 137 A HA 0.751 5.070 4.320 -0.001 0.000 0.331 137 A C -1.664 175.797 177.584 -0.205 0.000 1.140 137 A CA -0.443 51.468 52.037 -0.209 0.000 0.801 137 A CB 1.210 20.151 19.000 -0.100 0.000 1.234 137 A HN 0.679 nan 8.150 nan 0.000 0.469 138 Y N 0.457 120.502 120.300 -0.425 0.000 2.457 138 Y HA 0.616 5.166 4.550 -0.001 0.000 0.343 138 Y C -0.189 175.635 175.900 -0.127 0.000 0.994 138 Y CA -0.051 57.850 58.100 -0.332 0.000 1.031 138 Y CB 2.243 40.463 38.460 -0.400 0.000 1.246 138 Y HN 0.850 nan 8.280 nan 0.000 0.449 139 T N 6.669 120.786 114.554 -0.728 0.000 2.933 139 T HA 0.379 4.728 4.350 -0.001 0.000 0.305 139 T C -2.474 171.672 174.700 -0.924 0.000 1.092 139 T CA -2.246 59.526 62.100 -0.547 0.000 1.008 139 T CB 1.922 70.692 68.868 -0.164 0.000 1.102 139 T HN 0.481 nan 8.240 nan 0.000 0.469 140 P HA 0.096 nan 4.420 nan 0.000 0.225 140 P C -0.114 176.907 177.300 -0.466 0.000 1.148 140 P CA 0.682 63.408 63.100 -0.623 0.000 0.779 140 P CB -0.126 31.087 31.700 -0.812 0.000 0.780 141 F N 0.323 120.258 119.950 -0.025 0.000 2.382 141 F HA 0.434 4.960 4.527 -0.002 0.000 0.361 141 F C 0.321 176.113 175.800 -0.013 0.000 1.109 141 F CA -1.215 56.789 58.000 0.007 0.000 1.031 141 F CB 1.488 40.499 39.000 0.019 0.000 1.234 141 F HN -0.337 nan 8.300 nan 0.000 0.445 142 L N 6.787 128.083 121.223 0.122 0.000 2.529 142 L HA 0.499 4.838 4.340 -0.001 0.000 0.246 142 L C -2.600 174.307 176.870 0.060 0.000 1.394 142 L CA -2.079 52.761 54.840 -0.000 0.000 0.906 142 L CB 0.587 42.481 42.059 -0.274 0.000 1.170 142 L HN 0.116 nan 8.230 nan 0.000 0.501 143 P HA 0.103 nan 4.420 nan 0.000 0.274 143 P C 0.342 177.632 177.300 -0.015 0.000 1.246 143 P CA -0.294 62.841 63.100 0.058 0.000 0.795 143 P CB 1.126 32.844 31.700 0.031 0.000 1.006 144 K N 1.460 121.735 120.400 -0.207 0.000 2.074 144 K HA -0.217 4.102 4.320 -0.001 0.000 0.209 144 K C 2.191 178.647 176.600 -0.240 0.000 1.048 144 K CA 1.607 57.571 56.287 -0.539 0.000 0.926 144 K CB -0.154 31.752 32.500 -0.991 0.000 0.713 144 K HN 0.231 nan 8.250 nan 0.000 0.444 145 R N 0.281 120.683 120.500 -0.162 0.000 2.120 145 R HA -0.144 4.195 4.340 -0.001 0.000 0.234 145 R C 2.279 178.543 176.300 -0.060 0.000 1.123 145 R CA 1.248 57.286 56.100 -0.103 0.000 0.975 145 R CB -0.159 30.092 30.300 -0.082 0.000 0.866 145 R HN 0.226 nan 8.270 nan 0.000 0.446 146 L N -0.042 121.169 121.223 -0.021 0.000 2.068 146 L HA 0.142 4.481 4.340 -0.001 0.000 0.204 146 L C 2.169 179.116 176.870 0.128 0.000 1.076 146 L CA 1.954 56.813 54.840 0.031 0.000 0.753 146 L CB -0.712 41.389 42.059 0.071 0.000 0.910 146 L HN 0.153 nan 8.230 nan 0.000 0.439 147 A N -0.629 122.261 122.820 0.118 0.000 1.948 147 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 147 A C 2.115 179.825 177.584 0.210 0.000 1.177 147 A CA 2.014 54.153 52.037 0.170 0.000 0.636 147 A CB -0.669 18.383 19.000 0.086 0.000 0.815 147 A HN 0.654 nan 8.150 nan 0.000 0.449 148 E N -0.526 119.728 120.200 0.090 0.000 2.427 148 E HA 0.043 4.393 4.350 -0.001 0.000 0.196 148 E C 1.384 178.016 176.600 0.053 0.000 1.028 148 E CA 0.204 56.641 56.400 0.060 0.000 0.864 148 E CB -0.115 29.582 29.700 -0.006 0.000 0.813 148 E HN 0.640 nan 8.360 nan 0.000 0.514 149 L N 0.231 121.473 121.223 0.032 0.000 2.492 149 L HA 0.076 4.415 4.340 -0.001 0.000 0.223 149 L C 0.404 177.216 176.870 -0.096 0.000 1.132 149 L CA -0.083 54.717 54.840 -0.066 0.000 0.850 149 L CB -0.005 41.959 42.059 -0.158 0.000 0.966 149 L HN 0.009 nan 8.230 nan 0.000 0.454 150 F N 0.674 120.608 119.950 -0.026 0.000 2.418 150 F HA 0.155 4.681 4.527 -0.001 0.000 0.341 150 F C 1.139 176.935 175.800 -0.007 0.000 1.120 150 F CA -0.278 57.714 58.000 -0.015 0.000 1.232 150 F CB 0.352 39.350 39.000 -0.004 0.000 1.175 150 F HN -0.196 nan 8.300 nan 0.000 0.569 151 K N 1.908 122.418 120.400 0.185 0.000 2.319 151 K HA 0.088 4.407 4.320 -0.001 0.000 0.265 151 K C -0.010 176.659 176.600 0.116 0.000 1.000 151 K CA -0.409 55.945 56.287 0.111 0.000 0.943 151 K CB 0.476 33.023 32.500 0.079 0.000 0.950 151 K HN 0.510 nan 8.250 nan 0.000 0.485 152 K N 0.151 120.595 120.400 0.074 0.000 2.436 152 K HA -0.023 4.296 4.320 -0.001 0.000 0.275 152 K C 0.863 177.494 176.600 0.052 0.000 0.999 152 K CA 1.063 57.385 56.287 0.058 0.000 0.980 152 K CB 0.585 33.110 32.500 0.041 0.000 0.919 152 K HN 0.894 nan 8.250 nan 0.000 0.484 153 G N 0.981 109.807 108.800 0.043 0.000 2.259 153 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 153 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 153 G C -0.103 174.815 174.900 0.030 0.000 1.001 153 G CA -0.295 44.824 45.100 0.031 0.000 0.627 153 G HN 0.449 nan 8.290 nan 0.000 0.501 154 V N 2.649 122.590 119.914 0.046 0.000 2.488 154 V HA 0.567 4.686 4.120 -0.001 0.000 0.277 154 V C 0.782 176.880 176.094 0.007 0.000 1.046 154 V CA -0.293 62.024 62.300 0.028 0.000 0.986 154 V CB 1.217 33.072 31.823 0.053 0.000 0.989 154 V HN 0.329 nan 8.190 nan 0.000 0.475 155 L N 5.495 126.728 121.223 0.017 0.000 2.399 155 L HA 0.469 4.808 4.340 -0.001 0.000 0.266 155 L C -0.523 176.445 176.870 0.163 0.000 1.114 155 L CA 0.047 54.937 54.840 0.084 0.000 0.804 155 L CB 0.591 42.668 42.059 0.030 0.000 1.146 155 L HN 0.622 nan 8.230 nan 0.000 0.451 156 Y N 3.052 123.411 120.300 0.100 0.000 2.406 156 Y HA 0.538 5.088 4.550 -0.002 0.000 0.340 156 Y C -2.526 173.501 175.900 0.212 0.000 0.975 156 Y CA -2.261 55.900 58.100 0.103 0.000 1.056 156 Y CB 2.250 40.681 38.460 -0.048 0.000 1.210 156 Y HN 0.398 nan 8.280 nan 0.000 0.448 157 P HA 0.286 nan 4.420 nan 0.000 0.286 157 P C -1.281 175.923 177.300 -0.160 0.000 1.269 157 P CA -0.031 62.946 63.100 -0.206 0.000 0.787 157 P CB 1.771 33.371 31.700 -0.166 0.000 0.920 158 V N 1.429 121.252 119.914 -0.152 0.000 3.040 158 V HA 0.591 4.710 4.120 -0.001 0.000 0.312 158 V C -0.585 175.382 176.094 -0.211 0.000 1.115 158 V CA -1.133 61.135 62.300 -0.054 0.000 0.998 158 V CB 2.030 33.872 31.823 0.032 0.000 1.042 158 V HN 0.192 nan 8.190 nan 0.000 0.433 159 V N 2.028 121.853 119.914 -0.149 0.000 2.407 159 V HA 0.582 4.701 4.120 -0.001 0.000 0.278 159 V C -0.033 175.978 176.094 -0.138 0.000 1.037 159 V CA -0.069 62.095 62.300 -0.226 0.000 0.900 159 V CB 0.891 32.668 31.823 -0.076 0.000 0.983 159 V HN 1.036 nan 8.190 nan 0.000 0.459 160 E N 4.029 124.125 120.200 -0.173 0.000 2.260 160 E HA 0.290 4.639 4.350 -0.001 0.000 0.266 160 E C 0.124 176.670 176.600 -0.090 0.000 0.887 160 E CA -0.439 55.898 56.400 -0.105 0.000 0.777 160 E CB 0.969 30.605 29.700 -0.106 0.000 1.205 160 E HN 0.792 nan 8.360 nan 0.000 0.414 161 N N 3.224 121.895 118.700 -0.048 0.000 2.735 161 N HA -0.267 4.473 4.740 -0.001 0.000 0.248 161 N C 0.517 176.015 175.510 -0.021 0.000 1.083 161 N CA 0.782 53.815 53.050 -0.029 0.000 0.703 161 N CB -0.712 37.755 38.487 -0.032 0.000 1.005 161 N HN 0.964 nan 8.380 nan 0.000 0.550 162 G N -0.797 107.998 108.800 -0.008 0.000 2.168 162 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.263 162 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.263 162 G C -0.200 174.727 174.900 0.045 0.000 0.977 162 G CA 1.100 46.230 45.100 0.050 0.000 0.659 162 G HN 0.679 nan 8.290 nan 0.000 0.533 163 E N -1.293 118.822 120.200 -0.141 0.000 2.392 163 E HA 0.593 4.942 4.350 -0.001 0.000 0.269 163 E C -0.608 175.571 176.600 -0.701 0.000 0.924 163 E CA -1.305 54.902 56.400 -0.321 0.000 0.784 163 E CB 1.905 31.509 29.700 -0.159 0.000 1.292 163 E HN 0.170 nan 8.360 nan 0.000 0.447 164 L N 2.351 122.995 121.223 -0.965 0.000 2.410 164 L HA 0.096 4.435 4.340 -0.001 0.000 0.273 164 L C -0.853 175.706 176.870 -0.518 0.000 1.144 164 L CA 0.749 55.068 54.840 -0.867 0.000 0.863 164 L CB 0.090 41.726 42.059 -0.705 0.000 1.140 164 L HN 0.356 nan 8.230 nan 0.000 0.463 165 Q N 4.424 123.925 119.800 -0.499 0.000 2.456 165 Q HA 0.458 4.797 4.340 -0.001 0.000 0.283 165 Q C -1.431 174.285 176.000 -0.473 0.000 1.084 165 Q CA -0.407 55.179 55.803 -0.361 0.000 0.801 165 Q CB 2.081 30.717 28.738 -0.170 0.000 1.434 165 Q HN 0.548 nan 8.270 nan 0.000 0.419 166 F N 0.482 120.415 119.950 -0.028 0.000 2.450 166 F HA 0.511 5.037 4.527 -0.001 0.000 0.332 166 F C 0.618 176.428 175.800 0.017 0.000 1.093 166 F CA -0.542 57.464 58.000 0.009 0.000 1.003 166 F CB 1.659 40.668 39.000 0.014 0.000 1.151 166 F HN 0.042 nan 8.300 nan 0.000 0.474 167 K N 2.480 123.010 120.400 0.217 0.000 2.340 167 K HA 0.474 4.793 4.320 -0.001 0.000 0.244 167 K C -2.799 173.876 176.600 0.127 0.000 0.973 167 K CA -2.200 54.164 56.287 0.129 0.000 0.828 167 K CB 1.872 34.416 32.500 0.072 0.000 1.226 167 K HN 0.173 nan 8.250 nan 0.000 0.437 168 P HA -0.009 nan 4.420 nan 0.000 0.261 168 P C 0.436 177.750 177.300 0.023 0.000 1.183 168 P CA 0.293 63.422 63.100 0.048 0.000 0.761 168 P CB 0.345 32.068 31.700 0.037 0.000 0.785 169 I N 2.996 123.558 120.570 -0.012 0.000 2.454 169 I HA -0.334 3.835 4.170 -0.001 0.000 0.254 169 I C 1.503 177.556 176.117 -0.107 0.000 1.156 169 I CA 1.652 62.875 61.300 -0.129 0.000 1.433 169 I CB 0.117 37.912 38.000 -0.342 0.000 1.082 169 I HN 0.324 nan 8.210 nan 0.000 0.432 170 Q N 0.634 120.435 119.800 0.001 0.000 2.291 170 Q HA -0.180 4.159 4.340 -0.001 0.000 0.206 170 Q C 1.327 177.419 176.000 0.153 0.000 0.976 170 Q CA 1.297 57.150 55.803 0.083 0.000 0.875 170 Q CB -0.023 28.768 28.738 0.088 0.000 0.927 170 Q HN 0.577 nan 8.270 nan 0.000 0.450 171 E N -1.318 118.916 120.200 0.056 0.000 2.538 171 E HA 0.262 4.611 4.350 -0.001 0.000 0.207 171 E C 0.559 177.040 176.600 -0.198 0.000 1.002 171 E CA 0.216 56.611 56.400 -0.009 0.000 0.952 171 E CB 0.726 30.420 29.700 -0.011 0.000 1.031 171 E HN 0.265 nan 8.360 nan 0.000 0.476 172 A N 0.627 123.335 122.820 -0.187 0.000 2.390 172 A HA 0.120 4.439 4.320 -0.001 0.000 0.232 172 A C 0.423 177.809 177.584 -0.331 0.000 1.233 172 A CA -0.460 51.427 52.037 -0.249 0.000 0.907 172 A CB -0.408 18.471 19.000 -0.202 0.000 0.967 172 A HN 0.360 nan 8.150 nan 0.000 0.512 173 Y N -0.406 119.780 120.300 -0.189 0.000 2.683 173 Y HA 0.409 4.958 4.550 -0.001 0.000 0.340 173 Y C 0.224 176.078 175.900 -0.076 0.000 1.245 173 Y CA -0.460 57.545 58.100 -0.158 0.000 1.485 173 Y CB 0.284 38.685 38.460 -0.098 0.000 1.328 173 Y HN 0.083 nan 8.280 nan 0.000 0.603 174 R N 2.812 123.393 120.500 0.136 0.000 2.295 174 R HA 0.216 4.555 4.340 -0.001 0.000 0.324 174 R C -0.741 175.678 176.300 0.200 0.000 0.968 174 R CA -0.766 55.407 56.100 0.122 0.000 0.837 174 R CB 1.205 31.565 30.300 0.099 0.000 1.133 174 R HN 0.755 nan 8.270 nan 0.000 0.450 175 E N 0.684 121.004 120.200 0.199 0.000 2.376 175 E HA 0.077 4.426 4.350 -0.001 0.000 0.266 175 E C 0.738 177.403 176.600 0.108 0.000 1.009 175 E CA 0.901 57.401 56.400 0.167 0.000 0.902 175 E CB 0.739 30.525 29.700 0.142 0.000 0.972 175 E HN 0.888 nan 8.360 nan 0.000 0.439 176 G N 3.453 112.304 108.800 0.085 0.000 2.176 176 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.253 176 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.253 176 G C 0.054 174.999 174.900 0.075 0.000 0.979 176 G CA 0.022 45.162 45.100 0.067 0.000 0.641 176 G HN 0.580 nan 8.290 nan 0.000 0.530 177 D N 1.735 122.194 120.400 0.099 0.000 2.400 177 D HA 0.439 5.078 4.640 -0.001 0.000 0.238 177 D C -1.699 174.644 176.300 0.072 0.000 1.157 177 D CA -0.822 53.250 54.000 0.120 0.000 0.889 177 D CB 0.598 41.502 40.800 0.173 0.000 1.199 177 D HN 0.151 nan 8.370 nan 0.000 0.436 178 P HA 0.076 nan 4.420 nan 0.000 0.267 178 P C -0.635 176.671 177.300 0.010 0.000 1.200 178 P CA -0.290 62.771 63.100 -0.066 0.000 0.772 178 P CB 0.453 31.918 31.700 -0.392 0.000 0.855 179 L N 3.276 124.550 121.223 0.084 0.000 2.324 179 L HA 0.377 4.716 4.340 -0.001 0.000 0.274 179 L C -0.143 176.816 176.870 0.150 0.000 1.012 179 L CA -0.430 54.472 54.840 0.102 0.000 0.859 179 L CB 0.438 42.547 42.059 0.082 0.000 1.224 179 L HN 0.123 nan 8.230 nan 0.000 0.429 180 K N 6.067 126.502 120.400 0.060 0.000 2.267 180 K HA 0.561 4.880 4.320 -0.001 0.000 0.282 180 K C -1.280 175.305 176.600 -0.025 0.000 1.078 180 K CA -0.256 56.020 56.287 -0.019 0.000 0.903 180 K CB 0.424 32.887 32.500 -0.062 0.000 1.111 180 K HN 0.693 nan 8.250 nan 0.000 0.475 181 I N 3.974 124.534 120.570 -0.016 0.000 2.478 181 I HA 0.202 4.371 4.170 -0.001 0.000 0.287 181 I C -0.879 175.168 176.117 -0.117 0.000 1.042 181 I CA -0.930 60.317 61.300 -0.088 0.000 1.067 181 I CB 2.131 40.074 38.000 -0.094 0.000 1.233 181 I HN 0.622 nan 8.210 nan 0.000 0.431 182 N N 6.040 124.644 118.700 -0.159 0.000 2.430 182 N HA 0.603 5.342 4.740 -0.001 0.000 0.292 182 N C -0.947 174.422 175.510 -0.235 0.000 1.051 182 N CA -0.931 52.017 53.050 -0.170 0.000 0.917 182 N CB 1.376 39.778 38.487 -0.142 0.000 1.164 182 N HN 0.417 nan 8.380 nan 0.000 0.484 183 R N 1.789 122.131 120.500 -0.263 0.000 2.480 183 R HA 0.477 4.816 4.340 -0.001 0.000 0.306 183 R C -0.878 175.232 176.300 -0.317 0.000 0.958 183 R CA -0.711 55.162 56.100 -0.379 0.000 0.861 183 R CB 1.534 31.505 30.300 -0.549 0.000 1.171 183 R HN 0.400 nan 8.270 nan 0.000 0.445 184 I N 4.195 124.554 120.570 -0.351 0.000 2.355 184 I HA 0.275 4.444 4.170 -0.001 0.000 0.288 184 I C -0.540 175.405 176.117 -0.286 0.000 0.999 184 I CA -0.599 60.589 61.300 -0.186 0.000 1.163 184 I CB 0.959 38.880 38.000 -0.132 0.000 1.316 184 I HN 0.503 nan 8.210 nan 0.000 0.454 185 F N 4.432 124.445 119.950 0.105 0.000 2.371 185 F HA 0.305 4.831 4.527 -0.002 0.000 0.363 185 F C 0.962 176.874 175.800 0.186 0.000 1.122 185 F CA -0.541 57.552 58.000 0.156 0.000 1.129 185 F CB 0.812 39.979 39.000 0.278 0.000 1.173 185 F HN 0.401 nan 8.300 nan 0.000 0.489 186 E N 4.324 124.643 120.200 0.199 0.000 2.194 186 E HA 0.305 4.655 4.350 -0.001 0.000 0.284 186 E C -1.048 175.665 176.600 0.187 0.000 1.035 186 E CA -0.521 55.927 56.400 0.080 0.000 0.836 186 E CB 0.791 30.488 29.700 -0.006 0.000 1.070 186 E HN 0.428 nan 8.360 nan 0.000 0.401 187 F N 1.113 121.126 119.950 0.105 0.000 2.482 187 F HA 0.544 5.071 4.527 -0.001 0.000 0.331 187 F C -0.317 175.523 175.800 0.066 0.000 1.115 187 F CA -1.396 56.654 58.000 0.083 0.000 0.955 187 F CB 0.887 39.933 39.000 0.077 0.000 1.136 187 F HN 0.198 nan 8.300 nan 0.000 0.452 188 R N 2.645 123.239 120.500 0.156 0.000 2.460 188 R HA 0.399 4.738 4.340 -0.001 0.000 0.303 188 R C -0.409 175.982 176.300 0.151 0.000 0.968 188 R CA -1.083 55.070 56.100 0.088 0.000 0.889 188 R CB 1.699 32.026 30.300 0.045 0.000 1.123 188 R HN 0.830 nan 8.270 nan 0.000 0.455 189 K N 1.322 121.796 120.400 0.123 0.000 2.561 189 K HA -0.031 4.288 4.320 -0.001 0.000 0.280 189 K C 0.418 177.070 176.600 0.086 0.000 0.975 189 K CA 1.669 58.024 56.287 0.113 0.000 1.024 189 K CB 0.153 32.700 32.500 0.079 0.000 0.883 189 K HN 0.915 nan 8.250 nan 0.000 0.496 190 G N 3.158 112.006 108.800 0.080 0.000 2.659 190 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.202 190 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.202 190 G C 0.030 174.971 174.900 0.069 0.000 1.186 190 G CA -0.098 45.038 45.100 0.061 0.000 0.783 190 G HN 0.590 nan 8.290 nan 0.000 0.521 191 L N 1.773 123.055 121.223 0.098 0.000 2.693 191 L HA 0.199 4.538 4.340 -0.001 0.000 0.292 191 L C 0.590 177.532 176.870 0.121 0.000 1.243 191 L CA 0.814 55.728 54.840 0.124 0.000 0.903 191 L CB 0.183 42.345 42.059 0.172 0.000 1.160 191 L HN 0.374 nan 8.230 nan 0.000 0.496 192 K N 4.144 124.606 120.400 0.103 0.000 2.318 192 K HA 0.732 5.051 4.320 -0.001 0.000 0.249 192 K C -0.788 175.902 176.600 0.149 0.000 0.942 192 K CA -0.610 55.701 56.287 0.041 0.000 0.808 192 K CB 2.206 34.688 32.500 -0.029 0.000 1.189 192 K HN 0.361 nan 8.250 nan 0.000 0.428 193 F N -1.099 118.847 119.950 -0.006 0.000 2.790 193 F HA 0.638 5.163 4.527 -0.002 0.000 0.337 193 F C -1.465 174.328 175.800 -0.012 0.000 1.163 193 F CA -1.334 56.663 58.000 -0.006 0.000 0.997 193 F CB 1.081 40.076 39.000 -0.008 0.000 1.437 193 F HN 0.347 nan 8.300 nan 0.000 0.512 194 K N 0.787 121.269 120.400 0.138 0.000 2.468 194 K HA 0.686 5.005 4.320 -0.001 0.000 0.252 194 K C -2.057 174.629 176.600 0.144 0.000 0.932 194 K CA -0.879 55.408 56.287 0.001 0.000 0.794 194 K CB 2.624 35.121 32.500 -0.006 0.000 1.241 194 K HN 0.755 nan 8.250 nan 0.000 0.428 195 L N 2.984 124.240 121.223 0.056 0.000 2.504 195 L HA 0.379 4.718 4.340 -0.001 0.000 0.249 195 L C 0.499 177.392 176.870 0.039 0.000 1.120 195 L CA 1.139 56.035 54.840 0.092 0.000 0.997 195 L CB 0.116 42.227 42.059 0.087 0.000 1.349 195 L HN 1.139 nan 8.230 nan 0.000 0.439 196 G N 2.729 111.557 108.800 0.047 0.000 2.536 196 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.277 196 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.277 196 G C 0.617 175.524 174.900 0.010 0.000 1.155 196 G CA 0.389 45.505 45.100 0.027 0.000 0.960 196 G HN 0.623 nan 8.290 nan 0.000 0.544 197 D N 1.492 121.891 120.400 -0.002 0.000 2.213 197 D HA 0.002 4.641 4.640 -0.001 0.000 0.205 197 D C 1.128 177.410 176.300 -0.030 0.000 0.961 197 D CA 0.986 54.978 54.000 -0.013 0.000 0.853 197 D CB -0.133 40.661 40.800 -0.011 0.000 0.967 197 D HN 0.676 nan 8.370 nan 0.000 0.496 198 E N 1.923 122.100 120.200 -0.039 0.000 2.341 198 E HA 0.018 4.368 4.350 -0.001 0.000 0.256 198 E C -0.566 175.965 176.600 -0.116 0.000 1.125 198 E CA -0.012 56.347 56.400 -0.067 0.000 0.939 198 E CB 0.330 29.992 29.700 -0.063 0.000 0.991 198 E HN -0.013 nan 8.360 nan 0.000 0.458 199 T N 5.159 119.640 114.554 -0.122 0.000 2.918 199 T HA 0.322 4.671 4.350 -0.001 0.000 0.302 199 T C 0.305 174.848 174.700 -0.261 0.000 1.045 199 T CA 0.065 62.060 62.100 -0.176 0.000 1.114 199 T CB 0.420 69.217 68.868 -0.117 0.000 0.965 199 T HN 0.410 nan 8.240 nan 0.000 0.540 200 I N 2.610 122.928 120.570 -0.420 0.000 2.563 200 I HA 0.223 4.392 4.170 -0.001 0.000 0.285 200 I C -0.094 175.757 176.117 -0.444 0.000 1.123 200 I CA -0.721 60.272 61.300 -0.511 0.000 1.059 200 I CB 1.703 39.209 38.000 -0.823 0.000 1.229 200 I HN 0.702 nan 8.210 nan 0.000 0.442 201 E N 7.507 127.579 120.200 -0.213 0.000 2.204 201 E HA 0.543 4.892 4.350 -0.001 0.000 0.276 201 E C -1.024 175.553 176.600 -0.037 0.000 0.974 201 E CA -0.713 55.632 56.400 -0.092 0.000 0.815 201 E CB 2.644 32.314 29.700 -0.051 0.000 1.119 201 E HN 0.485 nan 8.360 nan 0.000 0.393 202 I N 4.740 125.335 120.570 0.043 0.000 2.322 202 I HA 0.110 4.279 4.170 -0.001 0.000 0.292 202 I C -1.640 174.528 176.117 0.085 0.000 1.060 202 I CA -2.105 59.246 61.300 0.085 0.000 1.309 202 I CB 1.198 39.303 38.000 0.175 0.000 1.415 202 I HN 0.475 nan 8.210 nan 0.000 0.492 203 P HA -0.106 nan 4.420 nan 0.000 0.213 203 P C -0.337 177.017 177.300 0.090 0.000 1.170 203 P CA 1.508 64.645 63.100 0.062 0.000 0.898 203 P CB 0.150 31.877 31.700 0.045 0.000 0.787 204 N N -1.869 116.915 118.700 0.141 0.000 2.453 204 N HA 0.254 4.993 4.740 -0.001 0.000 0.290 204 N C -0.155 175.458 175.510 0.171 0.000 1.250 204 N CA -0.531 52.597 53.050 0.131 0.000 0.815 204 N CB 1.028 39.585 38.487 0.116 0.000 1.381 204 N HN -0.144 nan 8.380 nan 0.000 0.510 205 S N -0.887 114.837 115.700 0.040 0.000 2.633 205 S HA 0.724 5.193 4.470 -0.001 0.000 0.257 205 S C 0.671 175.035 174.600 -0.393 0.000 1.265 205 S CA 0.152 58.274 58.200 -0.130 0.000 0.980 205 S CB 0.599 63.720 63.200 -0.133 0.000 1.017 205 S HN 0.858 nan 8.310 nan 0.000 0.577 206 G N 0.109 108.345 108.800 -0.939 0.000 2.337 206 G HA2 0.390 4.350 3.960 -0.001 0.000 0.298 206 G HA3 0.390 4.350 3.960 -0.001 0.000 0.298 206 G C -2.018 172.161 174.900 -1.202 0.000 1.335 206 G CA -1.060 43.425 45.100 -1.025 0.000 0.875 206 G HN 0.745 nan 8.290 nan 0.000 0.579 207 R N -0.895 119.403 120.500 -0.336 0.000 2.686 207 R HA 0.734 5.074 4.340 -0.001 0.000 0.283 207 R C -1.899 174.692 176.300 0.485 0.000 0.978 207 R CA -1.019 55.128 56.100 0.079 0.000 0.897 207 R CB 2.180 32.488 30.300 0.014 0.000 1.192 207 R HN 0.652 nan 8.270 nan 0.000 0.457 208 F N 3.892 124.120 119.950 0.462 0.000 2.411 208 F HA 0.530 5.056 4.527 -0.002 0.000 0.352 208 F C -0.788 175.226 175.800 0.357 0.000 1.123 208 F CA -0.914 57.311 58.000 0.374 0.000 1.044 208 F CB 1.058 40.237 39.000 0.298 0.000 1.135 208 F HN 0.433 nan 8.300 nan 0.000 0.461 209 I N 7.124 127.528 120.570 -0.277 0.000 2.404 209 I HA 0.372 4.541 4.170 -0.001 0.000 0.293 209 I C -1.074 174.884 176.117 -0.265 0.000 0.992 209 I CA -1.122 60.085 61.300 -0.154 0.000 1.149 209 I CB 1.851 39.782 38.000 -0.114 0.000 1.315 209 I HN 0.233 nan 8.210 nan 0.000 0.446 210 V N 4.816 124.668 119.914 -0.103 0.000 2.326 210 V HA 0.254 4.373 4.120 -0.001 0.000 0.281 210 V C 0.166 176.206 176.094 -0.091 0.000 1.015 210 V CA -0.426 61.830 62.300 -0.072 0.000 0.823 210 V CB 1.173 33.003 31.823 0.012 0.000 1.009 210 V HN 0.728 nan 8.190 nan 0.000 0.436 211 S N 3.688 119.345 115.700 -0.072 0.000 2.513 211 S HA 0.590 5.059 4.470 -0.001 0.000 0.276 211 S C 0.656 175.230 174.600 -0.043 0.000 1.254 211 S CA -0.340 57.817 58.200 -0.072 0.000 1.053 211 S CB 1.272 64.428 63.200 -0.074 0.000 0.958 211 S HN 0.995 nan 8.310 nan 0.000 0.491 212 A N 4.253 127.028 122.820 -0.075 0.000 2.515 212 A HA 0.294 4.613 4.320 -0.001 0.000 0.263 212 A C 0.801 178.237 177.584 -0.247 0.000 1.096 212 A CA 0.186 52.141 52.037 -0.137 0.000 0.769 212 A CB -0.041 18.808 19.000 -0.251 0.000 1.040 212 A HN 0.772 nan 8.150 nan 0.000 0.505 213 R N 2.561 122.945 120.500 -0.194 0.000 2.569 213 R HA 0.147 4.486 4.340 -0.001 0.000 0.429 213 R C -1.184 175.074 176.300 -0.070 0.000 0.994 213 R CA -0.036 55.970 56.100 -0.158 0.000 1.089 213 R CB 0.120 30.381 30.300 -0.065 0.000 1.420 213 R HN 0.779 nan 8.270 nan 0.000 0.615 214 F N -1.534 118.400 119.950 -0.027 0.000 2.380 214 F HA 0.434 4.960 4.527 -0.002 0.000 0.321 214 F C 1.697 177.473 175.800 -0.040 0.000 1.103 214 F CA -0.959 57.022 58.000 -0.031 0.000 1.067 214 F CB 0.623 39.610 39.000 -0.021 0.000 1.265 214 F HN -0.091 nan 8.300 nan 0.000 0.517 215 E N 0.673 120.979 120.200 0.176 0.000 2.085 215 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 215 E C 2.052 178.713 176.600 0.101 0.000 0.994 215 E CA 1.953 58.411 56.400 0.097 0.000 0.801 215 E CB -0.063 29.703 29.700 0.109 0.000 0.743 215 E HN 0.827 nan 8.360 nan 0.000 0.453 216 S N 0.770 116.547 115.700 0.128 0.000 2.419 216 S HA -0.176 4.293 4.470 -0.001 0.000 0.233 216 S C 1.851 176.235 174.600 -0.359 0.000 1.016 216 S CA 1.125 59.308 58.200 -0.028 0.000 0.974 216 S CB -0.592 62.619 63.200 0.018 0.000 0.786 216 S HN 0.460 nan 8.310 nan 0.000 0.492 217 I N 1.188 121.543 120.570 -0.359 0.000 3.812 217 I HA 0.358 4.527 4.170 -0.001 0.000 0.320 217 I C 1.473 177.577 176.117 -0.022 0.000 1.276 217 I CA 0.157 61.215 61.300 -0.404 0.000 1.164 217 I CB -0.231 37.480 38.000 -0.483 0.000 1.009 217 I HN 0.340 nan 8.210 nan 0.000 0.431 218 S N 0.069 115.774 115.700 0.008 0.000 2.539 218 S HA 0.273 4.743 4.470 -0.001 0.000 0.221 218 S C 1.038 175.691 174.600 0.087 0.000 0.987 218 S CA -0.513 57.728 58.200 0.067 0.000 0.929 218 S CB -0.315 62.899 63.200 0.023 0.000 0.832 218 S HN 0.467 nan 8.310 nan 0.000 0.492 219 R N 2.246 122.793 120.500 0.079 0.000 3.710 219 R HA 0.257 4.596 4.340 -0.001 0.000 0.201 219 R C -0.670 175.445 176.300 -0.309 0.000 1.641 219 R CA -0.188 55.700 56.100 -0.353 0.000 1.390 219 R CB -0.269 30.026 30.300 -0.008 0.000 1.341 219 R HN 0.369 nan 8.270 nan 0.000 0.728 220 I N 3.576 123.873 120.570 -0.454 0.000 2.347 220 I HA 0.078 4.247 4.170 -0.001 0.000 0.294 220 I C 0.621 176.518 176.117 -0.367 0.000 1.090 220 I CA 0.173 61.262 61.300 -0.352 0.000 1.314 220 I CB -0.417 37.382 38.000 -0.335 0.000 1.423 220 I HN 0.604 nan 8.210 nan 0.000 0.503 221 E N 3.168 123.227 120.200 -0.236 0.000 2.432 221 E HA 0.380 4.729 4.350 -0.001 0.000 0.279 221 E C -1.307 175.426 176.600 0.221 0.000 1.099 221 E CA -0.935 55.429 56.400 -0.061 0.000 0.859 221 E CB 0.903 30.723 29.700 0.198 0.000 1.402 221 E HN 0.213 nan 8.360 nan 0.000 0.451 222 T N 1.686 116.399 114.554 0.264 0.000 2.761 222 T HA 0.260 4.609 4.350 -0.001 0.000 0.296 222 T C 0.069 174.865 174.700 0.161 0.000 0.934 222 T CA -0.361 61.840 62.100 0.168 0.000 1.091 222 T CB 0.259 69.132 68.868 0.009 0.000 0.896 222 T HN 0.244 nan 8.240 nan 0.000 0.515 223 R N 1.854 122.497 120.500 0.237 0.000 2.784 223 R HA 0.051 4.390 4.340 -0.001 0.000 0.266 223 R C 1.512 177.894 176.300 0.137 0.000 1.044 223 R CA -0.402 55.822 56.100 0.206 0.000 1.151 223 R CB 0.337 30.789 30.300 0.253 0.000 1.037 223 R HN 0.593 nan 8.270 nan 0.000 0.478 224 E N 1.351 121.628 120.200 0.129 0.000 2.150 224 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 224 E C 1.203 177.854 176.600 0.084 0.000 0.985 224 E CA 1.872 58.324 56.400 0.087 0.000 0.814 224 E CB -0.038 29.711 29.700 0.082 0.000 0.752 224 E HN 0.651 nan 8.360 nan 0.000 0.466 225 D N 0.185 120.657 120.400 0.119 0.000 2.123 225 D HA -0.202 4.437 4.640 -0.001 0.000 0.196 225 D C 1.694 178.116 176.300 0.203 0.000 0.992 225 D CA 1.003 55.091 54.000 0.146 0.000 0.833 225 D CB -0.242 40.644 40.800 0.144 0.000 0.954 225 D HN 0.272 nan 8.370 nan 0.000 0.455 226 I N 0.325 120.991 120.570 0.161 0.000 3.228 226 I HA -0.012 4.157 4.170 -0.001 0.000 0.279 226 I C 2.364 178.541 176.117 0.100 0.000 1.221 226 I CA 0.155 61.557 61.300 0.170 0.000 1.458 226 I CB -0.587 37.420 38.000 0.011 0.000 1.105 226 I HN 0.061 nan 8.210 nan 0.000 0.445 227 K N 1.784 122.193 120.400 0.016 0.000 2.077 227 K HA -0.193 4.126 4.320 -0.001 0.000 0.213 227 K C -0.714 175.810 176.600 -0.128 0.000 1.051 227 K CA 2.033 58.292 56.287 -0.046 0.000 0.929 227 K CB -0.753 31.730 32.500 -0.028 0.000 0.715 227 K HN 0.188 nan 8.250 nan 0.000 0.451 228 P HA -0.107 nan 4.420 nan 0.000 0.225 228 P C 0.307 177.229 177.300 -0.631 0.000 1.148 228 P CA 1.132 63.945 63.100 -0.478 0.000 0.779 228 P CB 0.006 31.307 31.700 -0.665 0.000 0.780 229 F N -1.819 118.056 119.950 -0.124 0.000 2.693 229 F HA 0.206 4.732 4.527 -0.001 0.000 0.303 229 F C 1.975 177.645 175.800 -0.216 0.000 1.097 229 F CA -0.147 57.759 58.000 -0.156 0.000 1.330 229 F CB -0.591 38.313 39.000 -0.159 0.000 1.067 229 F HN -0.235 nan 8.300 nan 0.000 0.565 230 L N -0.008 121.131 121.223 -0.141 0.000 2.042 230 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 230 L C 2.710 179.265 176.870 -0.525 0.000 1.076 230 L CA 1.590 56.230 54.840 -0.335 0.000 0.749 230 L CB -1.073 40.822 42.059 -0.273 0.000 0.893 230 L HN 0.335 nan 8.230 nan 0.000 0.432 231 G N -0.872 107.716 108.800 -0.353 0.000 2.422 231 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 231 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 231 G C 1.470 176.227 174.900 -0.238 0.000 1.140 231 G CA 0.576 45.476 45.100 -0.333 0.000 0.775 231 G HN 0.414 nan 8.290 nan 0.000 0.545 232 E N 0.001 120.120 120.200 -0.135 0.000 2.110 232 E HA -0.078 4.271 4.350 -0.001 0.000 0.193 232 E C 2.441 179.021 176.600 -0.034 0.000 0.988 232 E CA 0.517 56.892 56.400 -0.042 0.000 0.804 232 E CB -0.147 29.584 29.700 0.052 0.000 0.745 232 E HN 0.529 nan 8.360 nan 0.000 0.458 233 I N 0.425 120.936 120.570 -0.098 0.000 2.226 233 I HA -0.183 3.987 4.170 -0.001 0.000 0.245 233 I C 2.532 178.584 176.117 -0.109 0.000 1.100 233 I CA 1.099 62.387 61.300 -0.020 0.000 1.374 233 I CB -0.543 37.404 38.000 -0.089 0.000 1.057 233 I HN 0.224 nan 8.210 nan 0.000 0.413 234 G N 0.967 109.526 108.800 -0.402 0.000 2.442 234 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 234 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 234 G C 1.692 176.550 174.900 -0.070 0.000 1.141 234 G CA 0.629 45.554 45.100 -0.291 0.000 0.763 234 G HN 0.347 nan 8.290 nan 0.000 0.554 235 K N 0.200 120.558 120.400 -0.071 0.000 2.281 235 K HA -0.054 4.265 4.320 -0.001 0.000 0.203 235 K C 1.987 178.590 176.600 0.005 0.000 1.046 235 K CA 1.010 57.283 56.287 -0.023 0.000 0.938 235 K CB 0.061 32.550 32.500 -0.018 0.000 0.737 235 K HN 0.230 nan 8.250 nan 0.000 0.458 236 E N 0.453 120.667 120.200 0.023 0.000 2.478 236 E HA -0.017 4.332 4.350 -0.001 0.000 0.194 236 E C 0.531 177.139 176.600 0.013 0.000 1.045 236 E CA 0.317 56.725 56.400 0.014 0.000 0.868 236 E CB 0.315 30.017 29.700 0.002 0.000 0.885 236 E HN 0.152 nan 8.360 nan 0.000 0.505 237 V N -2.177 117.766 119.914 0.049 0.000 2.914 237 V HA 0.381 4.500 4.120 -0.001 0.000 0.314 237 V C 0.422 176.543 176.094 0.045 0.000 1.084 237 V CA -0.882 61.456 62.300 0.062 0.000 0.963 237 V CB 2.318 34.230 31.823 0.148 0.000 1.025 237 V HN -0.248 nan 8.190 nan 0.000 0.432 238 D N 1.862 122.267 120.400 0.008 0.000 2.305 238 D HA 0.272 4.911 4.640 -0.001 0.000 0.206 238 D C 0.761 177.063 176.300 0.004 0.000 0.974 238 D CA 1.571 55.559 54.000 -0.019 0.000 0.871 238 D CB 1.126 41.871 40.800 -0.092 0.000 0.947 238 D HN 0.938 nan 8.370 nan 0.000 0.516 239 G N -0.248 108.581 108.800 0.049 0.000 2.704 239 G HA2 0.584 4.543 3.960 -0.001 0.000 0.293 239 G HA3 0.584 4.543 3.960 -0.001 0.000 0.293 239 G C -1.798 173.200 174.900 0.163 0.000 1.421 239 G CA -0.382 44.809 45.100 0.152 0.000 0.870 239 G HN 0.146 nan 8.290 nan 0.000 0.492 240 A N 0.240 123.111 122.820 0.086 0.000 2.386 240 A HA 0.836 5.155 4.320 -0.001 0.000 0.311 240 A C -0.917 176.563 177.584 -0.174 0.000 1.068 240 A CA -0.611 51.356 52.037 -0.116 0.000 0.743 240 A CB 1.243 19.877 19.000 -0.610 0.000 1.258 240 A HN 0.671 nan 8.150 nan 0.000 0.429 241 I N 2.578 123.113 120.570 -0.058 0.000 2.382 241 I HA 0.372 4.541 4.170 -0.001 0.000 0.285 241 I C -1.286 174.927 176.117 0.161 0.000 1.007 241 I CA -0.274 61.014 61.300 -0.019 0.000 1.142 241 I CB 1.096 39.130 38.000 0.057 0.000 1.289 241 I HN 0.424 nan 8.210 nan 0.000 0.453 242 F N 4.435 124.384 119.950 -0.003 0.000 2.443 242 F HA 0.650 5.176 4.527 -0.002 0.000 0.335 242 F C 0.585 176.428 175.800 0.071 0.000 1.104 242 F CA -1.113 56.902 58.000 0.025 0.000 1.013 242 F CB 1.871 40.980 39.000 0.182 0.000 1.136 242 F HN 0.474 nan 8.300 nan 0.000 0.470 243 S N -0.306 115.479 115.700 0.142 0.000 2.643 243 S HA 0.713 5.182 4.470 -0.001 0.000 0.270 243 S C -0.021 174.469 174.600 -0.184 0.000 1.166 243 S CA -0.334 57.877 58.200 0.017 0.000 0.815 243 S CB 1.543 64.783 63.200 0.067 0.000 1.139 243 S HN 1.523 nan 8.310 nan 0.000 0.472 244 G N -0.301 108.392 108.800 -0.178 0.000 2.159 244 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.227 244 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.227 244 G C 0.349 175.095 174.900 -0.256 0.000 0.986 244 G CA 0.309 45.296 45.100 -0.187 0.000 0.651 244 G HN 0.831 nan 8.290 nan 0.000 0.523 245 Y N 1.458 121.717 120.300 -0.068 0.000 2.315 245 Y HA -0.174 4.375 4.550 -0.001 0.000 0.288 245 Y C 2.958 178.794 175.900 -0.105 0.000 1.154 245 Y CA 1.893 59.934 58.100 -0.098 0.000 1.229 245 Y CB -0.133 38.284 38.460 -0.072 0.000 0.980 245 Y HN 0.578 nan 8.280 nan 0.000 0.540 246 Q N 0.012 119.802 119.800 -0.017 0.000 2.364 246 Q HA -0.053 4.286 4.340 -0.001 0.000 0.207 246 Q C 2.012 177.980 176.000 -0.054 0.000 0.970 246 Q CA 1.425 57.188 55.803 -0.065 0.000 0.888 246 Q CB -0.909 27.756 28.738 -0.121 0.000 0.951 246 Q HN 0.497 nan 8.270 nan 0.000 0.469 247 G N 1.349 110.113 108.800 -0.059 0.000 2.650 247 G HA2 0.102 4.061 3.960 -0.001 0.000 0.214 247 G HA3 0.102 4.061 3.960 -0.001 0.000 0.214 247 G C 0.696 175.575 174.900 -0.035 0.000 1.136 247 G CA -0.324 44.740 45.100 -0.060 0.000 0.789 247 G HN 0.217 nan 8.290 nan 0.000 0.536 248 L N 0.553 121.777 121.223 0.000 0.000 2.461 248 L HA 0.282 4.621 4.340 -0.001 0.000 0.272 248 L C 0.799 177.686 176.870 0.028 0.000 1.197 248 L CA -0.165 54.720 54.840 0.076 0.000 0.836 248 L CB 0.592 42.733 42.059 0.137 0.000 1.105 248 L HN 0.095 nan 8.230 nan 0.000 0.477 249 R N 0.573 121.053 120.500 -0.034 0.000 2.643 249 R HA 0.289 4.628 4.340 -0.001 0.000 0.272 249 R C 0.998 177.237 176.300 -0.101 0.000 0.995 249 R CA -0.649 55.321 56.100 -0.216 0.000 1.032 249 R CB 1.358 31.294 30.300 -0.607 0.000 1.126 249 R HN 0.626 nan 8.270 nan 0.000 0.505 250 T N 1.142 115.653 114.554 -0.072 0.000 2.624 250 T HA -0.142 4.207 4.350 -0.001 0.000 0.268 250 T C 0.513 175.232 174.700 0.032 0.000 1.041 250 T CA 1.550 63.651 62.100 0.002 0.000 1.159 250 T CB 0.041 68.900 68.868 -0.016 0.000 0.863 250 T HN 0.226 nan 8.240 nan 0.000 0.434 251 K N 0.012 120.356 120.400 -0.093 0.000 2.502 251 K HA 0.537 4.856 4.320 -0.001 0.000 0.257 251 K C -1.679 174.814 176.600 -0.178 0.000 0.938 251 K CA -0.607 55.676 56.287 -0.007 0.000 0.819 251 K CB 2.117 34.623 32.500 0.011 0.000 1.333 251 K HN 0.230 nan 8.250 nan 0.000 0.434 252 Y N -0.422 119.918 120.300 0.066 0.000 2.524 252 Y HA 0.178 4.727 4.550 -0.002 0.000 0.344 252 Y C 1.671 177.593 175.900 0.036 0.000 1.012 252 Y CA -0.543 57.597 58.100 0.067 0.000 1.068 252 Y CB 2.126 40.657 38.460 0.117 0.000 1.249 252 Y HN 0.565 nan 8.280 nan 0.000 0.468 253 S N 0.363 116.172 115.700 0.181 0.000 2.387 253 S HA -0.193 4.276 4.470 -0.001 0.000 0.230 253 S C 0.980 175.628 174.600 0.079 0.000 1.035 253 S CA 1.915 60.176 58.200 0.102 0.000 1.014 253 S CB -0.303 62.953 63.200 0.093 0.000 0.836 253 S HN 0.830 nan 8.310 nan 0.000 0.466 254 D N -0.472 119.978 120.400 0.085 0.000 2.395 254 D HA 0.287 4.926 4.640 -0.001 0.000 0.226 254 D C 1.127 177.421 176.300 -0.010 0.000 1.146 254 D CA 0.551 54.566 54.000 0.024 0.000 0.830 254 D CB -0.497 40.304 40.800 0.002 0.000 0.958 254 D HN 0.356 nan 8.370 nan 0.000 0.501 255 G N 0.439 109.255 108.800 0.027 0.000 2.245 255 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.264 255 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.264 255 G C 0.403 175.294 174.900 -0.016 0.000 0.985 255 G CA 0.333 45.439 45.100 0.009 0.000 0.625 255 G HN 0.481 nan 8.290 nan 0.000 0.536 256 K N 1.236 121.588 120.400 -0.079 0.000 2.336 256 K HA 0.451 4.770 4.320 -0.001 0.000 0.262 256 K C 0.276 176.985 176.600 0.182 0.000 0.992 256 K CA 0.830 57.003 56.287 -0.189 0.000 0.927 256 K CB 0.353 32.506 32.500 -0.578 0.000 0.956 256 K HN 0.559 nan 8.250 nan 0.000 0.495 257 D N -1.028 119.511 120.400 0.233 0.000 2.744 257 D HA 0.252 4.892 4.640 -0.001 0.000 0.304 257 D C 0.290 176.882 176.300 0.488 0.000 1.179 257 D CA -0.601 53.647 54.000 0.415 0.000 1.024 257 D CB 0.328 41.266 40.800 0.229 0.000 1.453 257 D HN 0.317 nan 8.370 nan 0.000 0.529 258 A N 0.136 123.212 122.820 0.426 0.000 1.940 258 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 258 A C 1.704 179.452 177.584 0.274 0.000 1.176 258 A CA 1.981 54.243 52.037 0.374 0.000 0.631 258 A CB -1.342 17.799 19.000 0.234 0.000 0.814 258 A HN 0.667 nan 8.150 nan 0.000 0.446 259 N N -2.067 116.748 118.700 0.193 0.000 2.120 259 N HA -0.209 4.530 4.740 -0.001 0.000 0.188 259 N C 1.747 177.310 175.510 0.088 0.000 1.024 259 N CA 1.474 54.595 53.050 0.119 0.000 0.852 259 N CB -0.318 38.221 38.487 0.086 0.000 1.003 259 N HN 0.672 nan 8.380 nan 0.000 0.424 260 Y N 0.996 121.274 120.300 -0.038 0.000 2.081 260 Y HA -0.336 4.213 4.550 -0.002 0.000 0.280 260 Y C 1.753 177.502 175.900 -0.252 0.000 1.163 260 Y CA 1.726 59.708 58.100 -0.197 0.000 1.135 260 Y CB -0.529 37.725 38.460 -0.343 0.000 0.970 260 Y HN 0.089 nan 8.280 nan 0.000 0.498 261 Y N -0.043 120.320 120.300 0.105 0.000 2.274 261 Y HA -0.203 4.347 4.550 -0.001 0.000 0.290 261 Y C 2.299 178.163 175.900 -0.061 0.000 1.145 261 Y CA 1.480 59.566 58.100 -0.023 0.000 1.203 261 Y CB -0.580 37.902 38.460 0.037 0.000 0.984 261 Y HN 0.170 nan 8.280 nan 0.000 0.533 262 L N -0.703 120.587 121.223 0.112 0.000 2.217 262 L HA -0.155 4.184 4.340 -0.001 0.000 0.211 262 L C 2.361 179.230 176.870 -0.002 0.000 1.107 262 L CA 1.018 55.895 54.840 0.061 0.000 0.783 262 L CB -0.345 41.745 42.059 0.051 0.000 0.919 262 L HN 0.139 nan 8.230 nan 0.000 0.442 263 R N -0.161 120.291 120.500 -0.079 0.000 2.073 263 R HA -0.072 4.267 4.340 -0.001 0.000 0.229 263 R C 2.390 178.629 176.300 -0.102 0.000 1.120 263 R CA 0.913 56.953 56.100 -0.100 0.000 0.967 263 R CB -0.207 29.999 30.300 -0.156 0.000 0.862 263 R HN 0.327 nan 8.270 nan 0.000 0.436 264 R N 0.510 120.898 120.500 -0.187 0.000 2.096 264 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 264 R C 2.323 178.632 176.300 0.016 0.000 1.127 264 R CA 1.399 57.427 56.100 -0.120 0.000 0.968 264 R CB -0.357 29.831 30.300 -0.186 0.000 0.861 264 R HN 0.192 nan 8.270 nan 0.000 0.440 265 A N 1.488 124.339 122.820 0.052 0.000 1.933 265 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 265 A C 1.877 179.590 177.584 0.215 0.000 1.175 265 A CA 1.377 53.503 52.037 0.149 0.000 0.628 265 A CB -0.229 18.896 19.000 0.208 0.000 0.814 265 A HN 0.210 nan 8.150 nan 0.000 0.444 266 K N -0.386 120.120 120.400 0.177 0.000 2.057 266 K HA -0.135 4.184 4.320 -0.001 0.000 0.206 266 K C 1.944 178.708 176.600 0.273 0.000 1.050 266 K CA 1.487 57.940 56.287 0.277 0.000 0.935 266 K CB -0.191 32.423 32.500 0.191 0.000 0.715 266 K HN 0.605 nan 8.250 nan 0.000 0.439 267 E N 0.887 121.183 120.200 0.160 0.000 2.118 267 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 267 E C 1.537 178.228 176.600 0.152 0.000 0.992 267 E CA 1.373 57.845 56.400 0.120 0.000 0.804 267 E CB -0.008 29.719 29.700 0.044 0.000 0.741 267 E HN 0.269 nan 8.360 nan 0.000 0.458 268 D N 0.442 120.965 120.400 0.205 0.000 2.117 268 D HA -0.102 4.537 4.640 -0.001 0.000 0.198 268 D C 1.969 178.547 176.300 0.462 0.000 0.982 268 D CA 0.738 54.923 54.000 0.308 0.000 0.828 268 D CB -0.192 40.779 40.800 0.285 0.000 0.967 268 D HN 0.173 nan 8.370 nan 0.000 0.464 269 I N 0.671 121.499 120.570 0.430 0.000 2.208 269 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 269 I C 2.340 178.522 176.117 0.109 0.000 1.097 269 I CA 0.783 62.287 61.300 0.339 0.000 1.363 269 I CB -0.155 38.000 38.000 0.259 0.000 1.051 269 I HN -0.040 nan 8.210 nan 0.000 0.413 270 I N 0.355 120.954 120.570 0.049 0.000 2.163 270 I HA -0.286 3.883 4.170 -0.001 0.000 0.243 270 I C 2.596 178.720 176.117 0.012 0.000 1.085 270 I CA 1.300 62.586 61.300 -0.023 0.000 1.347 270 I CB -0.436 37.597 38.000 0.055 0.000 1.044 270 I HN 0.227 nan 8.210 nan 0.000 0.408 271 E N 0.547 120.771 120.200 0.041 0.000 2.070 271 E HA -0.232 4.117 4.350 -0.001 0.000 0.197 271 E C 2.176 178.704 176.600 -0.119 0.000 1.004 271 E CA 1.738 58.099 56.400 -0.065 0.000 0.805 271 E CB -0.486 29.141 29.700 -0.122 0.000 0.744 271 E HN 0.467 nan 8.360 nan 0.000 0.451 272 F N 1.356 121.291 119.950 -0.025 0.000 2.163 272 F HA -0.055 4.472 4.527 -0.001 0.000 0.297 272 F C 2.369 178.132 175.800 -0.061 0.000 1.094 272 F CA 0.915 58.884 58.000 -0.053 0.000 1.290 272 F CB -0.103 38.860 39.000 -0.061 0.000 1.017 272 F HN -0.101 nan 8.300 nan 0.000 0.483 273 K N 0.156 120.610 120.400 0.090 0.000 2.211 273 K HA -0.166 4.153 4.320 -0.001 0.000 0.203 273 K C 1.967 178.561 176.600 -0.010 0.000 1.050 273 K CA 0.854 57.146 56.287 0.008 0.000 0.945 273 K CB -0.340 32.109 32.500 -0.084 0.000 0.732 273 K HN 0.272 nan 8.250 nan 0.000 0.451 274 E N 1.482 121.668 120.200 -0.023 0.000 2.150 274 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 274 E C 0.919 177.501 176.600 -0.029 0.000 0.985 274 E CA 0.893 57.275 56.400 -0.030 0.000 0.814 274 E CB 0.299 29.976 29.700 -0.039 0.000 0.752 274 E HN 0.027 nan 8.360 nan 0.000 0.466 275 K N 1.256 121.634 120.400 -0.036 0.000 2.546 275 K HA -0.019 4.300 4.320 -0.001 0.000 0.198 275 K C -0.156 176.443 176.600 -0.002 0.000 1.028 275 K CA 0.139 56.406 56.287 -0.034 0.000 1.150 275 K CB 0.029 32.483 32.500 -0.076 0.000 0.876 275 K HN 0.114 nan 8.250 nan 0.000 0.508 276 D N 0.090 120.496 120.400 0.009 0.000 3.012 276 D HA -0.145 4.494 4.640 -0.001 0.000 0.222 276 D C -0.375 175.949 176.300 0.040 0.000 1.167 276 D CA 0.540 54.552 54.000 0.020 0.000 0.854 276 D CB -1.645 39.161 40.800 0.010 0.000 1.107 276 D HN -0.009 nan 8.370 nan 0.000 0.421 277 V N 1.130 121.084 119.914 0.067 0.000 2.555 277 V HA 0.035 4.154 4.120 -0.001 0.000 0.286 277 V C 0.987 177.138 176.094 0.094 0.000 1.044 277 V CA -0.122 62.238 62.300 0.099 0.000 1.026 277 V CB 1.349 33.285 31.823 0.187 0.000 0.981 277 V HN -0.078 nan 8.190 nan 0.000 0.480 278 K N 5.511 125.987 120.400 0.125 0.000 2.298 278 K HA 0.523 4.842 4.320 -0.001 0.000 0.280 278 K C -0.518 176.243 176.600 0.268 0.000 1.032 278 K CA -0.027 56.392 56.287 0.219 0.000 0.958 278 K CB 1.254 33.937 32.500 0.305 0.000 0.978 278 K HN 0.510 nan 8.250 nan 0.000 0.472 279 I N 2.444 123.090 120.570 0.126 0.000 2.406 279 I HA 0.142 4.311 4.170 -0.001 0.000 0.290 279 I C 0.138 176.119 176.117 -0.226 0.000 0.999 279 I CA -0.723 60.494 61.300 -0.138 0.000 1.124 279 I CB 1.509 39.326 38.000 -0.306 0.000 1.289 279 I HN 0.442 nan 8.210 nan 0.000 0.441 280 H N 6.502 125.196 119.070 -0.625 0.000 2.481 280 H HA 0.492 5.047 4.556 -0.001 0.000 0.333 280 H C -1.584 173.536 175.328 -0.347 0.000 1.066 280 H CA -0.526 55.083 56.048 -0.732 0.000 1.209 280 H CB 2.035 30.895 29.762 -1.503 0.000 1.445 280 H HN 0.280 nan 8.280 nan 0.000 0.488 281 V N 5.411 124.972 119.914 -0.588 0.000 2.370 281 V HA 0.040 4.159 4.120 -0.001 0.000 0.283 281 V C 0.108 176.006 176.094 -0.326 0.000 1.023 281 V CA -0.674 61.493 62.300 -0.221 0.000 0.857 281 V CB 1.329 33.130 31.823 -0.037 0.000 0.985 281 V HN 0.714 nan 8.190 nan 0.000 0.443 282 E N 3.998 124.214 120.200 0.026 0.000 2.105 282 E HA 0.332 4.681 4.350 -0.001 0.000 0.285 282 E C -0.630 176.078 176.600 0.180 0.000 1.055 282 E CA -0.149 56.343 56.400 0.154 0.000 0.843 282 E CB 0.570 30.411 29.700 0.233 0.000 1.067 282 E HN 0.448 nan 8.360 nan 0.000 0.398 283 F N 3.160 123.125 119.950 0.025 0.000 2.373 283 F HA 0.595 5.121 4.527 -0.002 0.000 0.302 283 F C 0.272 176.105 175.800 0.054 0.000 1.247 283 F CA 0.482 58.500 58.000 0.031 0.000 1.169 283 F CB 0.731 39.713 39.000 -0.030 0.000 1.309 283 F HN 0.551 nan 8.300 nan 0.000 0.537 284 A N 1.025 123.666 122.820 -0.298 0.000 2.586 284 A HA 0.459 4.779 4.320 -0.001 0.000 0.290 284 A C -1.248 176.220 177.584 -0.194 0.000 1.086 284 A CA -0.581 51.358 52.037 -0.164 0.000 0.665 284 A CB 0.744 19.643 19.000 -0.168 0.000 1.279 284 A HN 0.558 nan 8.150 nan 0.000 0.423 285 S N -0.062 115.604 115.700 -0.057 0.000 2.498 285 S HA 0.442 4.912 4.470 -0.001 0.000 0.281 285 S C -0.546 174.012 174.600 -0.070 0.000 1.265 285 S CA -0.084 58.107 58.200 -0.016 0.000 1.071 285 S CB -0.493 62.712 63.200 0.009 0.000 0.894 285 S HN 1.056 nan 8.310 nan 0.000 0.491 286 V N 7.039 126.923 119.914 -0.049 0.000 2.349 286 V HA 0.266 4.385 4.120 -0.001 0.000 0.284 286 V C 1.033 177.127 176.094 -0.000 0.000 1.014 286 V CA -0.559 61.712 62.300 -0.047 0.000 0.826 286 V CB 1.251 33.031 31.823 -0.072 0.000 1.009 286 V HN 1.002 nan 8.190 nan 0.000 0.431 287 Q N 2.959 122.754 119.800 -0.008 0.000 2.123 287 Q HA -0.094 4.245 4.340 -0.001 0.000 0.199 287 Q C 0.999 176.999 176.000 0.001 0.000 0.966 287 Q CA 1.209 57.011 55.803 -0.002 0.000 0.845 287 Q CB 0.252 28.985 28.738 -0.007 0.000 0.907 287 Q HN 0.819 nan 8.270 nan 0.000 0.439 288 D N -0.044 120.356 120.400 0.001 0.000 2.339 288 D HA 0.010 4.649 4.640 -0.001 0.000 0.256 288 D C 0.311 176.621 176.300 0.018 0.000 1.214 288 D CA -0.008 53.995 54.000 0.005 0.000 0.877 288 D CB 0.751 41.552 40.800 0.002 0.000 1.111 288 D HN 0.238 nan 8.370 nan 0.000 0.478 289 R N 3.073 123.583 120.500 0.018 0.000 2.115 289 R HA -0.087 4.253 4.340 -0.001 0.000 0.226 289 R C 2.078 178.398 176.300 0.033 0.000 1.100 289 R CA 0.787 56.904 56.100 0.027 0.000 0.980 289 R CB 0.254 30.564 30.300 0.017 0.000 0.875 289 R HN 0.407 nan 8.270 nan 0.000 0.445 290 K N 0.596 121.012 120.400 0.026 0.000 2.057 290 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 290 K C 1.982 178.606 176.600 0.039 0.000 1.050 290 K CA 0.879 57.184 56.287 0.030 0.000 0.935 290 K CB -0.053 32.461 32.500 0.024 0.000 0.715 290 K HN 0.008 nan 8.250 nan 0.000 0.439 291 L N 1.493 122.739 121.223 0.038 0.000 2.093 291 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 291 L C 2.323 179.225 176.870 0.054 0.000 1.085 291 L CA 1.537 56.404 54.840 0.045 0.000 0.755 291 L CB -0.374 41.706 42.059 0.034 0.000 0.904 291 L HN 0.073 nan 8.230 nan 0.000 0.435 292 R N -0.506 120.031 120.500 0.061 0.000 2.081 292 R HA -0.230 4.109 4.340 -0.001 0.000 0.235 292 R C 2.314 178.693 176.300 0.131 0.000 1.131 292 R CA 1.635 57.800 56.100 0.108 0.000 0.960 292 R CB -0.149 30.222 30.300 0.120 0.000 0.856 292 R HN 0.206 nan 8.270 nan 0.000 0.436 293 K N 1.119 121.570 120.400 0.085 0.000 2.057 293 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 293 K C 1.763 178.397 176.600 0.056 0.000 1.049 293 K CA 1.758 58.086 56.287 0.067 0.000 0.931 293 K CB -0.009 32.519 32.500 0.046 0.000 0.714 293 K HN 0.128 nan 8.250 nan 0.000 0.440 294 K N -0.085 120.346 120.400 0.051 0.000 2.057 294 K HA -0.053 4.267 4.320 -0.001 0.000 0.207 294 K C 2.151 178.766 176.600 0.026 0.000 1.049 294 K CA 1.643 57.953 56.287 0.039 0.000 0.931 294 K CB -0.208 32.321 32.500 0.049 0.000 0.714 294 K HN 0.147 nan 8.250 nan 0.000 0.440 295 I N 0.877 121.471 120.570 0.040 0.000 2.202 295 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 295 I C 2.210 178.340 176.117 0.021 0.000 1.091 295 I CA 1.208 62.507 61.300 -0.001 0.000 1.368 295 I CB -0.233 37.784 38.000 0.028 0.000 1.058 295 I HN 0.093 nan 8.210 nan 0.000 0.410 296 I N 0.263 120.896 120.570 0.106 0.000 2.127 296 I HA -0.324 3.846 4.170 -0.001 0.000 0.241 296 I C 2.584 178.714 176.117 0.021 0.000 1.075 296 I CA 1.758 63.099 61.300 0.069 0.000 1.334 296 I CB -0.597 37.438 38.000 0.058 0.000 1.040 296 I HN 0.219 nan 8.210 nan 0.000 0.405 297 T N 0.524 115.090 114.554 0.019 0.000 2.684 297 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 297 T C 1.711 176.393 174.700 -0.029 0.000 1.036 297 T CA 1.568 63.669 62.100 0.002 0.000 1.148 297 T CB -0.317 68.552 68.868 0.002 0.000 0.863 297 T HN 0.352 nan 8.240 nan 0.000 0.436 298 N N 0.223 118.898 118.700 -0.041 0.000 2.354 298 N HA 0.034 4.773 4.740 -0.001 0.000 0.179 298 N C 1.315 176.788 175.510 -0.061 0.000 1.021 298 N CA 0.837 53.848 53.050 -0.064 0.000 0.887 298 N CB 0.170 38.626 38.487 -0.052 0.000 0.974 298 N HN 0.298 nan 8.380 nan 0.000 0.437 299 I N 0.390 120.914 120.570 -0.077 0.000 3.366 299 I HA 0.048 4.217 4.170 -0.001 0.000 0.267 299 I C 2.229 178.355 176.117 0.015 0.000 1.149 299 I CA 0.320 61.570 61.300 -0.083 0.000 1.436 299 I CB -1.048 36.724 38.000 -0.379 0.000 1.379 299 I HN -0.050 nan 8.210 nan 0.000 0.460 300 L N 1.484 122.690 121.223 -0.028 0.000 2.017 300 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 300 L C -0.465 176.473 176.870 0.114 0.000 1.073 300 L CA 1.815 56.611 54.840 -0.074 0.000 0.745 300 L CB -2.007 39.958 42.059 -0.157 0.000 0.894 300 L HN 0.154 nan 8.230 nan 0.000 0.432 301 P HA -0.162 nan 4.420 nan 0.000 0.228 301 P C 1.221 178.730 177.300 0.348 0.000 1.151 301 P CA 1.398 64.665 63.100 0.278 0.000 0.770 301 P CB -0.026 31.763 31.700 0.148 0.000 0.786 302 F N -0.683 119.328 119.950 0.102 0.000 2.721 302 F HA 0.091 4.617 4.527 -0.002 0.000 0.301 302 F C 1.075 176.934 175.800 0.098 0.000 1.096 302 F CA -0.483 57.573 58.000 0.094 0.000 1.308 302 F CB 0.838 39.884 39.000 0.076 0.000 1.086 302 F HN -0.249 nan 8.300 nan 0.000 0.587 303 V N -3.061 116.974 119.914 0.201 0.000 3.345 303 V HA 0.430 4.549 4.120 -0.001 0.000 0.308 303 V C 0.169 176.345 176.094 0.136 0.000 1.168 303 V CA -0.590 61.755 62.300 0.074 0.000 1.024 303 V CB 1.246 33.062 31.823 -0.013 0.000 1.211 303 V HN -0.133 nan 8.190 nan 0.000 0.461 304 D N -0.105 120.357 120.400 0.103 0.000 2.840 304 D HA 0.188 4.827 4.640 -0.001 0.000 0.277 304 D C 0.781 177.223 176.300 0.236 0.000 1.066 304 D CA 1.060 55.187 54.000 0.212 0.000 0.979 304 D CB 0.518 41.458 40.800 0.233 0.000 1.157 304 D HN 0.590 nan 8.370 nan 0.000 0.466 305 S N 0.358 116.107 115.700 0.083 0.000 2.501 305 S HA 0.554 5.023 4.470 -0.001 0.000 0.301 305 S C -0.779 173.601 174.600 -0.366 0.000 1.096 305 S CA -0.488 57.732 58.200 0.033 0.000 1.063 305 S CB 1.240 64.554 63.200 0.190 0.000 1.042 305 S HN -0.123 nan 8.310 nan 0.000 0.494 306 V N 3.116 122.822 119.914 -0.347 0.000 2.638 306 V HA 0.722 4.842 4.120 -0.001 0.000 0.306 306 V C 0.470 176.434 176.094 -0.218 0.000 1.052 306 V CA -0.671 61.282 62.300 -0.578 0.000 0.885 306 V CB 1.857 33.137 31.823 -0.905 0.000 0.999 306 V HN 0.995 nan 8.190 nan 0.000 0.424 307 G N 4.884 113.571 108.800 -0.189 0.000 2.422 307 G HA2 0.777 4.737 3.960 -0.001 0.000 0.317 307 G HA3 0.777 4.737 3.960 -0.001 0.000 0.317 307 G C -0.811 174.119 174.900 0.050 0.000 1.210 307 G CA -0.464 44.727 45.100 0.151 0.000 0.930 307 G HN 0.888 nan 8.290 nan 0.000 0.468 308 I N -0.087 120.420 120.570 -0.106 0.000 2.828 308 I HA 0.731 4.900 4.170 -0.001 0.000 0.302 308 I C -0.975 174.816 176.117 -0.544 0.000 1.101 308 I CA -1.305 59.876 61.300 -0.199 0.000 1.031 308 I CB 2.759 40.671 38.000 -0.147 0.000 1.231 308 I HN 0.466 nan 8.210 nan 0.000 0.427 309 D N 2.386 122.548 120.400 -0.396 0.000 2.529 309 D HA 0.188 4.827 4.640 -0.001 0.000 0.273 309 D C 0.553 176.768 176.300 -0.143 0.000 1.197 309 D CA -0.357 53.431 54.000 -0.353 0.000 1.070 309 D CB 1.046 41.747 40.800 -0.165 0.000 1.134 309 D HN 0.789 nan 8.370 nan 0.000 0.590 310 E N -0.836 119.308 120.200 -0.092 0.000 2.152 310 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 310 E C 1.930 178.550 176.600 0.034 0.000 0.983 310 E CA 0.921 57.305 56.400 -0.027 0.000 0.818 310 E CB -0.208 29.479 29.700 -0.023 0.000 0.758 310 E HN 0.528 nan 8.360 nan 0.000 0.467 311 A N 0.938 123.790 122.820 0.052 0.000 1.930 311 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 311 A C 1.863 179.508 177.584 0.101 0.000 1.175 311 A CA 1.536 53.642 52.037 0.116 0.000 0.627 311 A CB -0.395 18.676 19.000 0.119 0.000 0.815 311 A HN 0.255 nan 8.150 nan 0.000 0.443 312 E N -0.307 119.938 120.200 0.075 0.000 2.150 312 E HA -0.083 4.267 4.350 -0.001 0.000 0.193 312 E C 1.805 178.414 176.600 0.015 0.000 0.985 312 E CA 0.840 57.300 56.400 0.100 0.000 0.814 312 E CB -0.219 29.584 29.700 0.171 0.000 0.752 312 E HN 0.659 nan 8.360 nan 0.000 0.466 313 I N 0.929 121.491 120.570 -0.013 0.000 2.208 313 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 313 I C 2.429 178.548 176.117 0.003 0.000 1.097 313 I CA 1.074 62.355 61.300 -0.032 0.000 1.363 313 I CB -0.273 37.720 38.000 -0.012 0.000 1.051 313 I HN 0.137 nan 8.210 nan 0.000 0.413 314 A N -0.016 122.834 122.820 0.050 0.000 1.897 314 A HA -0.225 4.094 4.320 -0.001 0.000 0.215 314 A C 2.193 179.807 177.584 0.051 0.000 1.181 314 A CA 1.223 53.302 52.037 0.071 0.000 0.620 314 A CB -0.553 18.524 19.000 0.128 0.000 0.821 314 A HN 0.451 nan 8.150 nan 0.000 0.443 315 Q N -0.479 119.354 119.800 0.054 0.000 2.135 315 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 315 Q C 1.991 178.024 176.000 0.055 0.000 0.981 315 Q CA 1.657 57.496 55.803 0.060 0.000 0.856 315 Q CB -0.358 28.446 28.738 0.110 0.000 0.902 315 Q HN 0.752 nan 8.270 nan 0.000 0.425 316 I N 0.265 120.840 120.570 0.007 0.000 2.193 316 I HA -0.277 3.892 4.170 -0.001 0.000 0.240 316 I C 2.161 178.292 176.117 0.023 0.000 1.084 316 I CA 0.943 62.219 61.300 -0.039 0.000 1.365 316 I CB -0.210 37.681 38.000 -0.181 0.000 1.064 316 I HN 0.174 nan 8.210 nan 0.000 0.410 317 L N -0.061 121.183 121.223 0.035 0.000 2.081 317 L HA -0.273 4.066 4.340 -0.001 0.000 0.212 317 L C 2.750 179.713 176.870 0.154 0.000 1.080 317 L CA 1.496 56.406 54.840 0.116 0.000 0.754 317 L CB -0.567 41.543 42.059 0.086 0.000 0.893 317 L HN 0.271 nan 8.230 nan 0.000 0.433 318 S N -0.276 115.477 115.700 0.088 0.000 2.370 318 S HA -0.151 4.318 4.470 -0.001 0.000 0.226 318 S C 1.817 176.448 174.600 0.051 0.000 1.033 318 S CA 1.624 59.860 58.200 0.061 0.000 1.011 318 S CB -0.198 63.017 63.200 0.026 0.000 0.852 318 S HN 0.360 nan 8.310 nan 0.000 0.457 319 V N -0.451 119.496 119.914 0.055 0.000 3.461 319 V HA 0.294 4.413 4.120 -0.001 0.000 0.267 319 V C 1.821 177.942 176.094 0.046 0.000 1.186 319 V CA 0.798 63.124 62.300 0.043 0.000 1.154 319 V CB -0.716 31.136 31.823 0.048 0.000 0.802 319 V HN 0.451 nan 8.190 nan 0.000 0.474 320 L N 1.105 122.380 121.223 0.086 0.000 2.509 320 L HA 0.428 4.768 4.340 -0.001 0.000 0.222 320 L C 1.889 178.755 176.870 -0.007 0.000 1.123 320 L CA 1.016 55.922 54.840 0.111 0.000 0.856 320 L CB -0.061 42.147 42.059 0.248 0.000 0.985 320 L HN 0.642 nan 8.230 nan 0.000 0.456 321 G N -1.283 107.486 108.800 -0.052 0.000 2.192 321 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.193 321 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.193 321 G C -0.085 174.632 174.900 -0.304 0.000 0.999 321 G CA -0.602 44.367 45.100 -0.219 0.000 0.659 321 G HN 0.240 nan 8.290 nan 0.000 0.503 322 Y N 1.797 122.102 120.300 0.010 0.000 2.832 322 Y HA 0.444 4.993 4.550 -0.001 0.000 0.372 322 Y C 1.987 177.898 175.900 0.019 0.000 1.238 322 Y CA -0.410 57.699 58.100 0.014 0.000 1.713 322 Y CB 0.093 38.560 38.460 0.013 0.000 1.809 322 Y HN 0.199 nan 8.280 nan 0.000 0.472 323 R N 0.072 120.623 120.500 0.085 0.000 2.092 323 R HA -0.143 4.196 4.340 -0.001 0.000 0.231 323 R C 1.856 178.205 176.300 0.081 0.000 1.119 323 R CA 1.287 57.426 56.100 0.065 0.000 0.970 323 R CB 0.064 30.378 30.300 0.023 0.000 0.864 323 R HN 0.535 nan 8.270 nan 0.000 0.440 324 E N 0.792 121.045 120.200 0.089 0.000 2.038 324 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 324 E C 1.867 178.539 176.600 0.120 0.000 1.000 324 E CA 1.194 57.652 56.400 0.098 0.000 0.803 324 E CB -0.001 29.754 29.700 0.092 0.000 0.750 324 E HN 0.091 nan 8.360 nan 0.000 0.448 325 L N 0.395 121.699 121.223 0.136 0.000 2.093 325 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 325 L C 2.084 179.028 176.870 0.123 0.000 1.085 325 L CA 1.934 56.848 54.840 0.123 0.000 0.755 325 L CB -0.510 41.610 42.059 0.102 0.000 0.904 325 L HN 0.099 nan 8.230 nan 0.000 0.435 326 A N -0.686 122.208 122.820 0.123 0.000 1.902 326 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 326 A C 1.995 179.662 177.584 0.138 0.000 1.181 326 A CA 1.830 53.934 52.037 0.112 0.000 0.623 326 A CB -0.844 18.209 19.000 0.087 0.000 0.818 326 A HN 0.498 nan 8.150 nan 0.000 0.443 327 D N -0.806 119.668 120.400 0.123 0.000 2.149 327 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 327 D C 2.055 178.466 176.300 0.184 0.000 0.990 327 D CA 1.379 55.466 54.000 0.145 0.000 0.839 327 D CB -0.307 40.555 40.800 0.103 0.000 0.948 327 D HN 0.547 nan 8.370 nan 0.000 0.460 328 R N 0.309 120.926 120.500 0.195 0.000 2.081 328 R HA -0.059 4.280 4.340 -0.001 0.000 0.235 328 R C 2.415 178.869 176.300 0.257 0.000 1.131 328 R CA 0.840 57.109 56.100 0.283 0.000 0.960 328 R CB -0.280 30.167 30.300 0.246 0.000 0.856 328 R HN 0.140 nan 8.270 nan 0.000 0.436 329 I N 0.078 120.766 120.570 0.197 0.000 2.179 329 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 329 I C 2.152 178.366 176.117 0.162 0.000 1.088 329 I CA 1.350 62.754 61.300 0.172 0.000 1.357 329 I CB -0.287 37.798 38.000 0.143 0.000 1.051 329 I HN 0.209 nan 8.210 nan 0.000 0.409 330 F N 1.222 121.190 119.950 0.031 0.000 2.134 330 F HA -0.249 4.277 4.527 -0.001 0.000 0.299 330 F C 2.524 178.295 175.800 -0.048 0.000 1.097 330 F CA 1.969 59.969 58.000 0.001 0.000 1.264 330 F CB -0.288 38.709 39.000 -0.005 0.000 1.001 330 F HN -0.078 nan 8.300 nan 0.000 0.479 331 T N -0.948 113.525 114.554 -0.135 0.000 2.812 331 T HA -0.163 4.186 4.350 -0.001 0.000 0.264 331 T C 1.102 175.522 174.700 -0.467 0.000 1.042 331 T CA 1.895 63.724 62.100 -0.451 0.000 1.140 331 T CB -0.380 68.063 68.868 -0.709 0.000 0.870 331 T HN 0.417 nan 8.240 nan 0.000 0.445 332 Y N 0.037 120.335 120.300 -0.004 0.000 2.430 332 Y HA 0.327 4.876 4.550 -0.002 0.000 0.254 332 Y C 0.774 176.691 175.900 0.028 0.000 1.088 332 Y CA -0.771 57.336 58.100 0.012 0.000 1.267 332 Y CB 0.337 38.818 38.460 0.034 0.000 1.204 332 Y HN -0.016 nan 8.280 nan 0.000 0.515 333 N N 1.782 120.579 118.700 0.162 0.000 2.727 333 N HA -0.203 4.536 4.740 -0.001 0.000 0.249 333 N C -0.779 174.840 175.510 0.182 0.000 1.048 333 N CA 0.718 53.852 53.050 0.140 0.000 0.714 333 N CB -1.032 37.515 38.487 0.100 0.000 0.959 333 N HN 0.462 nan 8.380 nan 0.000 0.544 334 R N 0.387 120.991 120.500 0.173 0.000 2.410 334 R HA 0.209 4.548 4.340 -0.001 0.000 0.288 334 R C 1.725 178.092 176.300 0.112 0.000 1.051 334 R CA -0.838 55.341 56.100 0.132 0.000 1.021 334 R CB 0.804 31.155 30.300 0.084 0.000 1.032 334 R HN 0.040 nan 8.270 nan 0.000 0.481 335 L N 2.887 124.143 121.223 0.055 0.000 2.043 335 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 335 L C 2.111 178.962 176.870 -0.032 0.000 1.075 335 L CA 2.020 56.818 54.840 -0.070 0.000 0.752 335 L CB -0.508 41.390 42.059 -0.269 0.000 0.891 335 L HN 0.774 nan 8.230 nan 0.000 0.432 336 E N -0.877 119.315 120.200 -0.012 0.000 2.085 336 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 336 E C 1.620 178.232 176.600 0.020 0.000 0.994 336 E CA 1.613 58.016 56.400 0.004 0.000 0.801 336 E CB -0.090 29.607 29.700 -0.005 0.000 0.743 336 E HN 0.613 nan 8.360 nan 0.000 0.453 337 D N -0.253 120.170 120.400 0.039 0.000 2.224 337 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 337 D C 1.976 178.304 176.300 0.046 0.000 0.965 337 D CA 0.659 54.687 54.000 0.047 0.000 0.852 337 D CB -0.045 40.803 40.800 0.080 0.000 0.947 337 D HN 0.071 nan 8.370 nan 0.000 0.494 338 S N 0.392 116.134 115.700 0.069 0.000 2.406 338 S HA 0.005 4.474 4.470 -0.001 0.000 0.228 338 S C 2.162 176.783 174.600 0.034 0.000 1.020 338 S CA 0.210 58.453 58.200 0.073 0.000 0.965 338 S CB 0.100 63.393 63.200 0.155 0.000 0.798 338 S HN 0.228 nan 8.310 nan 0.000 0.488 339 I N 1.001 121.585 120.570 0.024 0.000 2.202 339 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 339 I C 2.271 178.370 176.117 -0.029 0.000 1.091 339 I CA 0.764 62.070 61.300 0.009 0.000 1.368 339 I CB -0.282 37.743 38.000 0.042 0.000 1.058 339 I HN 0.240 nan 8.210 nan 0.000 0.410 340 L N 1.145 122.352 121.223 -0.027 0.000 2.012 340 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 340 L C 2.327 179.129 176.870 -0.113 0.000 1.073 340 L CA 2.322 57.126 54.840 -0.060 0.000 0.748 340 L CB -1.267 40.770 42.059 -0.038 0.000 0.891 340 L HN 0.208 nan 8.230 nan 0.000 0.431 341 G N -1.050 107.696 108.800 -0.091 0.000 2.408 341 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.217 341 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.217 341 G C 0.953 175.767 174.900 -0.143 0.000 1.150 341 G CA 0.458 45.482 45.100 -0.126 0.000 0.776 341 G HN 0.675 nan 8.290 nan 0.000 0.542 345 I N 1.032 121.471 120.570 -0.219 0.000 2.252 345 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 345 I C 2.428 178.461 176.117 -0.138 0.000 1.102 345 I CA 1.434 62.670 61.300 -0.107 0.000 1.385 345 I CB 0.048 38.016 38.000 -0.054 0.000 1.064 345 I HN 0.252 nan 8.210 nan 0.000 0.414 346 L N 1.123 122.159 121.223 -0.312 0.000 2.017 346 L HA -0.270 4.069 4.340 -0.001 0.000 0.208 346 L C 2.049 178.726 176.870 -0.322 0.000 1.073 346 L CA 2.177 56.683 54.840 -0.557 0.000 0.745 346 L CB -0.709 40.935 42.059 -0.691 0.000 0.894 346 L HN 0.247 nan 8.230 nan 0.000 0.432 347 D N -1.191 119.075 120.400 -0.223 0.000 2.117 347 D HA -0.204 4.435 4.640 -0.001 0.000 0.197 347 D C 1.959 178.276 176.300 0.028 0.000 0.987 347 D CA 1.378 55.391 54.000 0.021 0.000 0.829 347 D CB 0.063 40.899 40.800 0.061 0.000 0.961 347 D HN 0.437 nan 8.370 nan 0.000 0.460 348 E N -0.437 119.761 120.200 -0.004 0.000 2.072 348 E HA -0.052 4.297 4.350 -0.001 0.000 0.190 348 E C 2.289 178.924 176.600 0.059 0.000 0.982 348 E CA 0.607 57.036 56.400 0.049 0.000 0.803 348 E CB 0.066 29.812 29.700 0.076 0.000 0.755 348 E HN 0.436 nan 8.360 nan 0.000 0.453 349 L N 0.107 121.361 121.223 0.053 0.000 2.354 349 L HA 0.074 4.413 4.340 -0.001 0.000 0.212 349 L C 0.633 177.583 176.870 0.133 0.000 1.091 349 L CA -0.016 54.909 54.840 0.142 0.000 0.828 349 L CB -0.150 42.091 42.059 0.303 0.000 0.973 349 L HN 0.093 nan 8.230 nan 0.000 0.461 350 N N 0.413 119.095 118.700 -0.030 0.000 2.758 350 N HA -0.236 4.503 4.740 -0.001 0.000 0.248 350 N C 0.072 175.642 175.510 0.100 0.000 1.076 350 N CA 0.415 53.481 53.050 0.027 0.000 0.696 350 N CB -1.269 37.261 38.487 0.072 0.000 0.979 350 N HN 0.389 nan 8.380 nan 0.000 0.550 351 F N -1.000 119.051 119.950 0.168 0.000 2.139 351 F HA 0.457 4.983 4.527 -0.002 0.000 0.273 351 F C 1.926 177.878 175.800 0.253 0.000 1.058 351 F CA 0.025 58.118 58.000 0.155 0.000 1.149 351 F CB -0.021 39.029 39.000 0.082 0.000 1.739 351 F HN 0.095 nan 8.300 nan 0.000 0.536 352 E N -0.454 119.973 120.200 0.378 0.000 2.244 352 E HA 0.254 4.603 4.350 -0.001 0.000 0.196 352 E C -0.296 176.414 176.600 0.183 0.000 0.939 352 E CA 0.163 56.751 56.400 0.313 0.000 0.884 352 E CB 0.747 30.623 29.700 0.294 0.000 0.850 352 E HN 0.579 nan 8.360 nan 0.000 0.481 353 I N 0.952 121.648 120.570 0.209 0.000 2.787 353 I HA 0.270 4.439 4.170 -0.001 0.000 0.294 353 I C -2.206 174.087 176.117 0.294 0.000 1.365 353 I CA -1.081 60.265 61.300 0.076 0.000 1.029 353 I CB 2.007 39.917 38.000 -0.150 0.000 1.313 353 I HN 0.060 nan 8.210 nan 0.000 0.431 354 L N 6.860 128.234 121.223 0.251 0.000 2.341 354 L HA 0.537 4.876 4.340 -0.001 0.000 0.278 354 L C -1.048 176.002 176.870 0.300 0.000 1.005 354 L CA 0.119 55.155 54.840 0.328 0.000 0.818 354 L CB 1.547 43.750 42.059 0.241 0.000 1.259 354 L HN 0.667 nan 8.230 nan 0.000 0.418 355 Q N 4.420 124.367 119.800 0.246 0.000 2.331 355 Q HA 0.525 4.865 4.340 -0.001 0.000 0.267 355 Q C -1.926 174.098 176.000 0.040 0.000 1.006 355 Q CA -0.647 55.234 55.803 0.131 0.000 0.818 355 Q CB 2.001 30.801 28.738 0.102 0.000 1.276 355 Q HN 0.597 nan 8.270 nan 0.000 0.450 356 V N 5.824 125.732 119.914 -0.010 0.000 2.417 356 V HA 0.365 4.484 4.120 -0.001 0.000 0.291 356 V C -0.263 175.781 176.094 -0.083 0.000 1.024 356 V CA -0.741 61.507 62.300 -0.087 0.000 0.861 356 V CB 1.363 33.171 31.823 -0.026 0.000 0.985 356 V HN 0.759 nan 8.190 nan 0.000 0.436 357 H N 2.091 121.113 119.070 -0.081 0.000 2.459 357 H HA 0.792 5.347 4.556 -0.001 0.000 0.332 357 H C -0.323 174.888 175.328 -0.194 0.000 1.094 357 H CA -0.544 55.426 56.048 -0.129 0.000 1.224 357 H CB 1.955 31.668 29.762 -0.083 0.000 1.449 357 H HN 0.651 nan 8.280 nan 0.000 0.484 358 T N -0.677 113.751 114.554 -0.211 0.000 2.865 358 T HA 0.172 4.521 4.350 -0.001 0.000 0.294 358 T C 0.950 175.482 174.700 -0.280 0.000 1.119 358 T CA -0.499 61.404 62.100 -0.328 0.000 1.007 358 T CB 1.512 69.982 68.868 -0.663 0.000 1.225 358 T HN 0.453 nan 8.240 nan 0.000 0.515 359 T N 0.288 114.673 114.554 -0.281 0.000 2.665 359 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 359 T C 0.938 175.343 174.700 -0.491 0.000 1.035 359 T CA 1.903 63.750 62.100 -0.420 0.000 1.151 359 T CB -0.577 67.932 68.868 -0.599 0.000 0.862 359 T HN 0.703 nan 8.240 nan 0.000 0.438 360 Y N -0.025 120.242 120.300 -0.054 0.000 2.449 360 Y HA 0.300 4.848 4.550 -0.002 0.000 0.254 360 Y C 0.084 176.066 175.900 0.137 0.000 1.140 360 Y CA -0.959 57.181 58.100 0.067 0.000 1.272 360 Y CB 0.394 38.946 38.460 0.152 0.000 1.114 360 Y HN 0.363 nan 8.280 nan 0.000 0.525 361 Y N -1.766 118.604 120.300 0.117 0.000 2.521 361 Y HA 0.664 5.213 4.550 -0.002 0.000 0.332 361 Y C -1.722 174.191 175.900 0.020 0.000 1.121 361 Y CA -2.462 55.672 58.100 0.056 0.000 1.037 361 Y CB 0.470 38.940 38.460 0.017 0.000 1.330 361 Y HN -0.224 nan 8.280 nan 0.000 0.452 365 I N 3.304 123.985 120.570 0.185 0.000 2.478 365 I HA 0.640 4.809 4.170 -0.001 0.000 0.287 365 I C -0.455 175.651 176.117 -0.018 0.000 1.042 365 I CA -0.622 60.706 61.300 0.046 0.000 1.067 365 I CB 2.322 40.279 38.000 -0.071 0.000 1.233 365 I HN 0.654 nan 8.210 nan 0.000 0.431 366 T N 0.870 115.422 114.554 -0.004 0.000 2.887 366 T HA 0.496 4.845 4.350 -0.001 0.000 0.292 366 T C -0.275 174.436 174.700 0.020 0.000 1.087 366 T CA -0.860 61.212 62.100 -0.047 0.000 1.009 366 T CB 1.537 70.405 68.868 0.001 0.000 1.203 366 T HN 0.361 nan 8.240 nan 0.000 0.518 367 H N 1.165 120.314 119.070 0.132 0.000 2.771 367 H HA 0.185 4.740 4.556 -0.001 0.000 0.364 367 H C 1.800 177.129 175.328 0.002 0.000 1.133 367 H CA 0.100 56.188 56.048 0.068 0.000 1.423 367 H CB 0.952 30.726 29.762 0.020 0.000 1.425 367 H HN 0.802 nan 8.280 nan 0.000 0.606 368 R N 1.190 121.716 120.500 0.044 0.000 2.159 368 R HA -0.130 4.209 4.340 -0.001 0.000 0.237 368 R C 0.291 176.598 176.300 0.012 0.000 1.131 368 R CA 1.880 57.978 56.100 -0.005 0.000 0.982 368 R CB -0.129 30.132 30.300 -0.064 0.000 0.868 368 R HN 0.548 nan 8.270 nan 0.000 0.453 369 D N 0.138 120.556 120.400 0.030 0.000 2.342 369 D HA -0.053 4.586 4.640 -0.001 0.000 0.221 369 D C -0.264 176.047 176.300 0.018 0.000 1.101 369 D CA -0.452 53.555 54.000 0.011 0.000 0.837 369 D CB -0.588 40.209 40.800 -0.006 0.000 0.938 369 D HN 0.124 nan 8.370 nan 0.000 0.508 370 N N 1.839 120.565 118.700 0.044 0.000 2.412 370 N HA -0.021 4.718 4.740 -0.001 0.000 0.258 370 N C -1.502 173.973 175.510 -0.059 0.000 1.236 370 N CA -0.827 52.242 53.050 0.031 0.000 0.882 370 N CB 1.576 40.101 38.487 0.063 0.000 1.066 370 N HN -0.076 nan 8.380 nan 0.000 0.465 371 P HA -0.010 nan 4.420 nan 0.000 0.221 371 P C 0.176 177.149 177.300 -0.545 0.000 1.150 371 P CA 0.595 63.507 63.100 -0.314 0.000 0.800 371 P CB 0.263 31.748 31.700 -0.357 0.000 0.787 372 L N 0.512 121.520 121.223 -0.360 0.000 2.426 372 L HA 0.096 4.435 4.340 -0.001 0.000 0.271 372 L C 1.223 178.008 176.870 -0.141 0.000 1.169 372 L CA 0.161 54.835 54.840 -0.277 0.000 0.836 372 L CB -0.031 41.956 42.059 -0.121 0.000 1.112 372 L HN -0.030 nan 8.230 nan 0.000 0.465 373 S N 1.461 117.107 115.700 -0.090 0.000 2.600 373 S HA 0.116 4.585 4.470 -0.001 0.000 0.265 373 S C 0.956 175.534 174.600 -0.037 0.000 1.325 373 S CA -0.437 57.737 58.200 -0.044 0.000 1.002 373 S CB 0.466 63.652 63.200 -0.023 0.000 0.921 373 S HN 0.678 nan 8.310 nan 0.000 0.554 374 E N 0.474 120.674 120.200 -0.001 0.000 2.130 374 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 374 E C 1.868 178.482 176.600 0.024 0.000 0.998 374 E CA 1.698 58.118 56.400 0.033 0.000 0.806 374 E CB -0.173 29.558 29.700 0.052 0.000 0.738 374 E HN 0.879 nan 8.360 nan 0.000 0.459 375 E N 1.341 121.535 120.200 -0.010 0.000 2.106 375 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 375 E C 1.624 178.173 176.600 -0.085 0.000 0.984 375 E CA 1.337 57.724 56.400 -0.021 0.000 0.806 375 E CB 0.050 29.734 29.700 -0.026 0.000 0.750 375 E HN 0.269 nan 8.360 nan 0.000 0.458 376 E N 0.042 120.115 120.200 -0.212 0.000 2.107 376 E HA -0.097 4.253 4.350 -0.001 0.000 0.191 376 E C 2.203 178.687 176.600 -0.194 0.000 0.982 376 E CA 0.957 57.022 56.400 -0.559 0.000 0.809 376 E CB -0.114 29.070 29.700 -0.860 0.000 0.756 376 E HN 0.289 nan 8.360 nan 0.000 0.459 377 L N 0.809 122.027 121.223 -0.009 0.000 2.042 377 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 377 L C 2.618 179.697 176.870 0.348 0.000 1.076 377 L CA 1.150 56.115 54.840 0.208 0.000 0.749 377 L CB -0.528 41.614 42.059 0.139 0.000 0.893 377 L HN 0.162 nan 8.230 nan 0.000 0.432 378 A N -0.018 122.923 122.820 0.202 0.000 1.883 378 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 378 A C 2.331 180.044 177.584 0.215 0.000 1.186 378 A CA 1.788 53.931 52.037 0.177 0.000 0.624 378 A CB -0.415 18.646 19.000 0.103 0.000 0.822 378 A HN 0.309 nan 8.150 nan 0.000 0.444 379 K N -0.391 120.133 120.400 0.207 0.000 2.147 379 K HA -0.123 4.196 4.320 -0.001 0.000 0.205 379 K C 2.442 179.304 176.600 0.437 0.000 1.049 379 K CA 1.354 57.821 56.287 0.300 0.000 0.936 379 K CB -0.165 32.509 32.500 0.291 0.000 0.722 379 K HN 0.517 nan 8.250 nan 0.000 0.446 380 S N 1.108 117.102 115.700 0.491 0.000 2.357 380 S HA -0.056 4.413 4.470 -0.001 0.000 0.221 380 S C 1.964 176.808 174.600 0.407 0.000 1.031 380 S CA 0.686 59.201 58.200 0.524 0.000 0.982 380 S CB -0.168 63.438 63.200 0.677 0.000 0.853 380 S HN 0.196 nan 8.310 nan 0.000 0.458 381 L N 1.076 122.481 121.223 0.304 0.000 2.042 381 L HA -0.126 4.213 4.340 -0.001 0.000 0.210 381 L C 2.795 179.792 176.870 0.211 0.000 1.076 381 L CA 1.799 56.716 54.840 0.128 0.000 0.749 381 L CB -0.638 41.435 42.059 0.024 0.000 0.893 381 L HN 0.434 nan 8.230 nan 0.000 0.432 382 E N -0.501 119.867 120.200 0.280 0.000 2.110 382 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 382 E C 2.049 178.848 176.600 0.331 0.000 0.988 382 E CA 1.236 57.827 56.400 0.318 0.000 0.804 382 E CB -0.133 29.776 29.700 0.347 0.000 0.745 382 E HN 0.384 nan 8.360 nan 0.000 0.458 383 F N 1.065 121.168 119.950 0.254 0.000 2.134 383 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 383 F C 2.154 178.096 175.800 0.237 0.000 1.097 383 F CA 1.702 59.874 58.000 0.287 0.000 1.264 383 F CB -0.389 38.719 39.000 0.180 0.000 1.001 383 F HN -0.024 nan 8.300 nan 0.000 0.479 384 G N -1.393 107.631 108.800 0.373 0.000 2.446 384 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.217 384 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.217 384 G C 1.646 176.579 174.900 0.056 0.000 1.168 384 G CA 1.336 46.559 45.100 0.205 0.000 0.771 384 G HN 0.393 nan 8.290 nan 0.000 0.551 385 T N 0.002 114.587 114.554 0.051 0.000 2.904 385 T HA -0.054 4.295 4.350 -0.001 0.000 0.267 385 T C 2.574 177.214 174.700 -0.101 0.000 1.059 385 T CA 2.072 64.164 62.100 -0.014 0.000 1.137 385 T CB -0.439 68.457 68.868 0.046 0.000 0.879 385 T HN 0.279 nan 8.240 nan 0.000 0.467 386 T N 2.320 116.798 114.554 -0.127 0.000 2.737 386 T HA -0.023 4.326 4.350 -0.001 0.000 0.265 386 T C 1.770 176.238 174.700 -0.386 0.000 1.038 386 T CA 1.245 63.149 62.100 -0.327 0.000 1.144 386 T CB -0.475 68.140 68.868 -0.422 0.000 0.866 386 T HN 0.221 nan 8.240 nan 0.000 0.434 387 L N 1.481 122.550 121.223 -0.257 0.000 2.046 387 L HA 0.046 4.385 4.340 -0.001 0.000 0.208 387 L C 2.593 179.391 176.870 -0.121 0.000 1.077 387 L CA 1.910 56.662 54.840 -0.147 0.000 0.747 387 L CB -1.009 41.023 42.059 -0.044 0.000 0.896 387 L HN 0.230 nan 8.230 nan 0.000 0.432 388 A N -0.586 122.169 122.820 -0.107 0.000 1.902 388 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 388 A C 2.447 179.955 177.584 -0.127 0.000 1.181 388 A CA 1.742 53.716 52.037 -0.106 0.000 0.623 388 A CB -1.164 17.772 19.000 -0.107 0.000 0.818 388 A HN 0.570 nan 8.150 nan 0.000 0.443 389 A N -0.104 122.621 122.820 -0.158 0.000 1.933 389 A HA 0.165 4.485 4.320 -0.001 0.000 0.218 389 A C 2.499 179.982 177.584 -0.168 0.000 1.175 389 A CA 2.050 53.986 52.037 -0.168 0.000 0.628 389 A CB -1.016 17.858 19.000 -0.210 0.000 0.814 389 A HN 1.037 nan 8.150 nan 0.000 0.444 390 A N -0.015 122.685 122.820 -0.200 0.000 1.865 390 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 390 A C 2.272 179.787 177.584 -0.116 0.000 1.191 390 A CA 2.005 53.938 52.037 -0.175 0.000 0.623 390 A CB -0.546 18.331 19.000 -0.205 0.000 0.826 390 A HN 0.574 nan 8.150 nan 0.000 0.444 391 R N -0.452 119.989 120.500 -0.099 0.000 2.092 391 R HA -0.033 4.306 4.340 -0.001 0.000 0.231 391 R C 2.167 178.420 176.300 -0.078 0.000 1.119 391 R CA 1.365 57.420 56.100 -0.075 0.000 0.970 391 R CB -0.405 29.857 30.300 -0.063 0.000 0.864 391 R HN 0.423 nan 8.270 nan 0.000 0.440 392 A N -0.303 122.464 122.820 -0.088 0.000 2.070 392 A HA -0.075 4.244 4.320 -0.001 0.000 0.220 392 A C 2.002 179.539 177.584 -0.078 0.000 1.159 392 A CA 1.694 53.681 52.037 -0.083 0.000 0.656 392 A CB -0.175 18.771 19.000 -0.091 0.000 0.800 392 A HN 0.414 nan 8.150 nan 0.000 0.453 393 S N -0.748 114.902 115.700 -0.084 0.000 2.412 393 S HA 0.164 4.633 4.470 -0.001 0.000 0.223 393 S C 1.675 176.236 174.600 -0.065 0.000 1.048 393 S CA 0.797 58.951 58.200 -0.077 0.000 0.954 393 S CB -0.190 62.957 63.200 -0.089 0.000 0.840 393 S HN 0.497 nan 8.310 nan 0.000 0.503 394 L N 0.400 121.584 121.223 -0.065 0.000 2.307 394 L HA 0.254 4.593 4.340 -0.001 0.000 0.211 394 L C 1.809 178.650 176.870 -0.049 0.000 1.099 394 L CA 0.663 55.470 54.840 -0.054 0.000 0.816 394 L CB -0.470 41.559 42.059 -0.051 0.000 0.952 394 L HN 0.542 nan 8.230 nan 0.000 0.455 395 G N 0.487 109.255 108.800 -0.054 0.000 2.157 395 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.248 395 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.248 395 G C -0.183 174.687 174.900 -0.050 0.000 0.979 395 G CA 0.350 45.418 45.100 -0.053 0.000 0.650 395 G HN 0.456 nan 8.290 nan 0.000 0.529 396 D N -1.051 119.322 120.400 -0.045 0.000 2.820 396 D HA 0.255 4.894 4.640 -0.001 0.000 0.244 396 D C -0.860 175.423 176.300 -0.027 0.000 1.106 396 D CA -0.657 53.321 54.000 -0.037 0.000 0.741 396 D CB 0.163 40.942 40.800 -0.034 0.000 2.042 396 D HN 0.173 nan 8.370 nan 0.000 0.459 397 I N 4.074 124.634 120.570 -0.016 0.000 2.307 397 I HA 0.335 4.504 4.170 -0.001 0.000 0.289 397 I C 1.517 177.637 176.117 0.005 0.000 1.021 397 I CA -0.284 61.016 61.300 -0.001 0.000 1.224 397 I CB 1.184 39.193 38.000 0.015 0.000 1.376 397 I HN 0.465 nan 8.210 nan 0.000 0.470 398 R N 3.446 123.949 120.500 0.005 0.000 2.156 398 R HA 0.291 4.630 4.340 -0.001 0.000 0.207 398 R C 0.883 177.192 176.300 0.015 0.000 1.040 398 R CA 0.279 56.384 56.100 0.007 0.000 1.013 398 R CB 0.445 30.746 30.300 0.002 0.000 0.931 398 R HN 0.785 nan 8.270 nan 0.000 0.465 399 G N -0.887 107.925 108.800 0.021 0.000 2.646 399 G HA2 0.207 4.166 3.960 -0.001 0.000 0.291 399 G HA3 0.207 4.166 3.960 -0.001 0.000 0.291 399 G C -2.529 172.394 174.900 0.039 0.000 1.445 399 G CA -1.038 44.077 45.100 0.026 0.000 0.814 399 G HN -0.295 nan 8.290 nan 0.000 0.495 400 P HA -0.064 nan 4.420 nan 0.000 0.218 400 P C 0.717 178.068 177.300 0.084 0.000 1.148 400 P CA 1.048 64.184 63.100 0.061 0.000 0.822 400 P CB 0.319 32.046 31.700 0.044 0.000 0.784 401 D N 0.028 120.465 120.400 0.062 0.000 2.263 401 D HA -0.129 4.510 4.640 -0.001 0.000 0.208 401 D C 1.402 177.738 176.300 0.059 0.000 0.971 401 D CA 0.890 54.928 54.000 0.063 0.000 0.867 401 D CB -0.615 40.208 40.800 0.037 0.000 0.929 401 D HN 0.166 nan 8.370 nan 0.000 0.492 402 D N -0.286 120.143 120.400 0.047 0.000 2.218 402 D HA -0.175 4.464 4.640 -0.001 0.000 0.204 402 D C 1.759 178.064 176.300 0.009 0.000 0.976 402 D CA 0.372 54.382 54.000 0.016 0.000 0.853 402 D CB -0.451 40.352 40.800 0.006 0.000 0.939 402 D HN 0.377 nan 8.370 nan 0.000 0.481 403 Y N 1.967 122.222 120.300 -0.074 0.000 2.193 403 Y HA -0.276 4.274 4.550 -0.000 0.000 0.285 403 Y C 1.817 177.640 175.900 -0.128 0.000 1.166 403 Y CA 1.710 59.729 58.100 -0.135 0.000 1.181 403 Y CB 0.054 38.421 38.460 -0.155 0.000 0.976 403 Y HN -0.127 nan 8.280 nan 0.000 0.520 404 K N -0.569 119.789 120.400 -0.069 0.000 2.283 404 K HA -0.107 4.212 4.320 -0.001 0.000 0.202 404 K C 1.859 178.345 176.600 -0.189 0.000 1.048 404 K CA 1.150 57.361 56.287 -0.127 0.000 0.948 404 K CB -0.159 32.344 32.500 0.005 0.000 0.742 404 K HN 0.244 nan 8.250 nan 0.000 0.458 405 V N 0.782 120.595 119.914 -0.169 0.000 2.490 405 V HA -0.181 3.938 4.120 -0.001 0.000 0.250 405 V C 2.327 178.289 176.094 -0.220 0.000 1.061 405 V CA 2.116 64.322 62.300 -0.156 0.000 1.064 405 V CB -0.830 30.924 31.823 -0.114 0.000 0.670 405 V HN 0.474 nan 8.190 nan 0.000 0.461 406 G N 0.152 108.754 108.800 -0.330 0.000 2.432 406 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.219 406 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.219 406 G C 1.504 176.184 174.900 -0.366 0.000 1.135 406 G CA 0.730 45.603 45.100 -0.377 0.000 0.767 406 G HN 0.516 nan 8.290 nan 0.000 0.550 407 L N -0.118 120.884 121.223 -0.368 0.000 2.349 407 L HA -0.070 4.269 4.340 -0.001 0.000 0.220 407 L C 2.547 179.301 176.870 -0.194 0.000 1.130 407 L CA 1.016 55.700 54.840 -0.260 0.000 0.791 407 L CB -0.195 41.760 42.059 -0.174 0.000 0.918 407 L HN 0.211 nan 8.230 nan 0.000 0.444 408 K N -0.496 119.799 120.400 -0.175 0.000 2.459 408 K HA 0.101 4.420 4.320 -0.001 0.000 0.193 408 K C 0.181 176.697 176.600 -0.140 0.000 1.030 408 K CA 0.132 56.342 56.287 -0.129 0.000 1.026 408 K CB 0.326 32.764 32.500 -0.103 0.000 0.809 408 K HN 0.072 nan 8.250 nan 0.000 0.504 409 V N 4.653 124.452 119.914 -0.193 0.000 2.364 409 V HA 0.163 4.282 4.120 -0.001 0.000 0.272 409 V C -2.072 173.871 176.094 -0.250 0.000 1.036 409 V CA -2.083 60.104 62.300 -0.189 0.000 0.880 409 V CB 0.919 32.622 31.823 -0.199 0.000 0.991 409 V HN 0.067 nan 8.190 nan 0.000 0.460 410 P HA 0.247 nan 4.420 nan 0.000 0.274 410 P C -0.457 176.716 177.300 -0.212 0.000 1.246 410 P CA -0.502 62.496 63.100 -0.170 0.000 0.795 410 P CB 0.582 32.264 31.700 -0.031 0.000 1.006 411 F N 0.728 120.688 119.950 0.017 0.000 2.607 411 F HA -0.000 4.527 4.527 -0.001 0.000 0.374 411 F C 1.806 177.640 175.800 0.055 0.000 1.104 411 F CA 0.435 58.458 58.000 0.037 0.000 1.296 411 F CB -0.652 38.376 39.000 0.045 0.000 1.085 411 F HN 0.368 nan 8.300 nan 0.000 0.584 412 N N 1.025 119.881 118.700 0.260 0.000 2.260 412 N HA -0.062 4.677 4.740 -0.001 0.000 0.230 412 N C 0.697 176.321 175.510 0.190 0.000 1.323 412 N CA -0.120 53.056 53.050 0.209 0.000 0.897 412 N CB 0.246 38.901 38.487 0.280 0.000 1.146 412 N HN 0.763 nan 8.380 nan 0.000 0.460 413 E N -0.730 119.563 120.200 0.154 0.000 2.285 413 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 413 E C 0.887 177.535 176.600 0.079 0.000 0.997 413 E CA 0.275 56.735 56.400 0.100 0.000 0.845 413 E CB 0.119 29.860 29.700 0.069 0.000 0.782 413 E HN 0.505 nan 8.360 nan 0.000 0.491 414 R N 0.144 120.693 120.500 0.082 0.000 2.328 414 R HA 0.073 4.412 4.340 -0.001 0.000 0.200 414 R C 1.959 178.338 176.300 0.132 0.000 0.983 414 R CA 0.285 56.416 56.100 0.050 0.000 1.062 414 R CB 0.161 30.381 30.300 -0.132 0.000 0.956 414 R HN 0.048 nan 8.270 nan 0.000 0.479 415 S N 1.330 117.115 115.700 0.141 0.000 2.359 415 S HA -0.139 4.330 4.470 -0.001 0.000 0.224 415 S C 1.607 176.256 174.600 0.082 0.000 1.035 415 S CA 1.164 59.435 58.200 0.118 0.000 1.018 415 S CB -0.007 63.256 63.200 0.104 0.000 0.876 415 S HN 0.325 nan 8.310 nan 0.000 0.448 416 E N 0.180 120.434 120.200 0.089 0.000 2.150 416 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 416 E C 1.733 178.392 176.600 0.099 0.000 0.985 416 E CA 0.787 57.232 56.400 0.076 0.000 0.814 416 E CB -0.346 29.399 29.700 0.075 0.000 0.752 416 E HN 0.658 nan 8.360 nan 0.000 0.466 417 Y N 1.315 121.614 120.300 -0.001 0.000 2.263 417 Y HA -0.159 4.391 4.550 -0.001 0.000 0.292 417 Y C 2.250 178.147 175.900 -0.005 0.000 1.130 417 Y CA 0.704 58.797 58.100 -0.011 0.000 1.179 417 Y CB -0.256 38.184 38.460 -0.034 0.000 0.998 417 Y HN -0.214 nan 8.280 nan 0.000 0.532 418 V N 0.737 120.651 119.914 -0.000 0.000 2.282 418 V HA -0.379 3.740 4.120 -0.001 0.000 0.249 418 V C 2.268 178.307 176.094 -0.091 0.000 1.057 418 V CA 2.460 64.716 62.300 -0.073 0.000 1.032 418 V CB -0.576 31.267 31.823 0.032 0.000 0.645 418 V HN 0.349 nan 8.190 nan 0.000 0.447 419 K N -0.439 119.945 120.400 -0.026 0.000 2.057 419 K HA -0.138 4.182 4.320 -0.001 0.000 0.207 419 K C 2.177 178.779 176.600 0.003 0.000 1.049 419 K CA 1.510 57.813 56.287 0.027 0.000 0.931 419 K CB -0.307 32.209 32.500 0.026 0.000 0.714 419 K HN 0.406 nan 8.250 nan 0.000 0.440 420 L N 1.103 122.285 121.223 -0.069 0.000 2.027 420 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 420 L C 2.272 179.047 176.870 -0.158 0.000 1.074 420 L CA 1.268 56.048 54.840 -0.101 0.000 0.745 420 L CB -0.066 41.936 42.059 -0.094 0.000 0.898 420 L HN 0.138 nan 8.230 nan 0.000 0.433 421 R N -0.421 119.908 120.500 -0.285 0.000 2.115 421 R HA -0.200 4.139 4.340 -0.001 0.000 0.230 421 R C 2.169 178.423 176.300 -0.078 0.000 1.111 421 R CA 1.639 57.580 56.100 -0.266 0.000 0.976 421 R CB -1.218 28.837 30.300 -0.407 0.000 0.870 421 R HN 0.463 nan 8.270 nan 0.000 0.445 422 F N 2.499 122.318 119.950 -0.218 0.000 2.095 422 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 422 F C 2.205 177.933 175.800 -0.121 0.000 1.104 422 F CA 1.167 59.065 58.000 -0.170 0.000 1.232 422 F CB 0.200 39.110 39.000 -0.151 0.000 0.987 422 F HN -0.048 nan 8.300 nan 0.000 0.475 423 E N 0.764 120.881 120.200 -0.139 0.000 2.058 423 E HA -0.258 4.091 4.350 -0.001 0.000 0.194 423 E C 1.932 178.427 176.600 -0.174 0.000 0.997 423 E CA 1.744 58.005 56.400 -0.230 0.000 0.801 423 E CB -0.615 29.001 29.700 -0.141 0.000 0.746 423 E HN 0.634 nan 8.360 nan 0.000 0.450 424 E N 0.692 120.821 120.200 -0.118 0.000 2.077 424 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 424 E C 2.049 178.597 176.600 -0.088 0.000 0.989 424 E CA 1.049 57.392 56.400 -0.095 0.000 0.800 424 E CB -0.130 29.518 29.700 -0.086 0.000 0.746 424 E HN 0.230 nan 8.360 nan 0.000 0.452 425 A N 1.542 124.315 122.820 -0.079 0.000 1.877 425 A HA -0.243 4.077 4.320 -0.001 0.000 0.216 425 A C 1.984 179.521 177.584 -0.078 0.000 1.186 425 A CA 1.645 53.653 52.037 -0.049 0.000 0.620 425 A CB -0.340 18.673 19.000 0.021 0.000 0.822 425 A HN 0.033 nan 8.150 nan 0.000 0.443 426 K N -0.407 119.892 120.400 -0.167 0.000 2.103 426 K HA -0.114 4.205 4.320 -0.001 0.000 0.207 426 K C 2.417 178.945 176.600 -0.119 0.000 1.048 426 K CA 1.421 57.593 56.287 -0.190 0.000 0.930 426 K CB -0.227 32.059 32.500 -0.355 0.000 0.716 426 K HN 0.404 nan 8.250 nan 0.000 0.444 427 S N 0.160 115.793 115.700 -0.111 0.000 2.368 427 S HA -0.110 4.359 4.470 -0.001 0.000 0.225 427 S C 1.772 176.340 174.600 -0.054 0.000 1.030 427 S CA 1.298 59.452 58.200 -0.077 0.000 0.999 427 S CB -0.007 63.150 63.200 -0.072 0.000 0.844 427 S HN 0.255 nan 8.310 nan 0.000 0.459 428 R N -0.421 120.049 120.500 -0.049 0.000 2.127 428 R HA 0.255 4.594 4.340 -0.001 0.000 0.217 428 R C 0.189 176.475 176.300 -0.023 0.000 1.074 428 R CA 0.458 56.539 56.100 -0.032 0.000 0.991 428 R CB 0.062 30.345 30.300 -0.029 0.000 0.895 428 R HN 0.297 nan 8.270 nan 0.000 0.450 429 L N 1.287 122.496 121.223 -0.024 0.000 2.330 429 L HA 0.416 4.755 4.340 -0.001 0.000 0.271 429 L C 0.115 176.983 176.870 -0.003 0.000 1.013 429 L CA -1.185 53.650 54.840 -0.008 0.000 0.816 429 L CB 1.755 43.814 42.059 0.000 0.000 1.287 429 L HN 0.048 nan 8.230 nan 0.000 0.435 433 E N 0.021 120.057 120.200 -0.274 0.000 2.478 433 E HA 0.052 4.401 4.350 -0.001 0.000 0.198 433 E C -0.714 175.398 176.600 -0.814 0.000 1.046 433 E CA 0.799 56.861 56.400 -0.563 0.000 0.870 433 E CB 0.125 29.352 29.700 -0.789 0.000 0.818 433 E HN 0.270 nan 8.360 nan 0.000 0.527 434 Y N 0.074 120.367 120.300 -0.012 0.000 2.425 434 Y HA 0.352 4.902 4.550 -0.001 0.000 0.344 434 Y C -0.113 175.782 175.900 -0.009 0.000 0.969 434 Y CA -1.370 56.711 58.100 -0.032 0.000 1.052 434 Y CB 1.596 40.023 38.460 -0.056 0.000 1.215 434 Y HN -0.335 nan 8.280 nan 0.000 0.451 435 K N 2.772 123.259 120.400 0.145 0.000 2.201 435 K HA 0.619 4.938 4.320 -0.001 0.000 0.278 435 K C -1.206 175.480 176.600 0.143 0.000 1.027 435 K CA -0.708 55.647 56.287 0.113 0.000 0.909 435 K CB 1.622 34.167 32.500 0.076 0.000 1.062 435 K HN 0.309 nan 8.250 nan 0.000 0.465 436 V N 3.453 123.472 119.914 0.175 0.000 2.483 436 V HA 0.318 4.437 4.120 -0.001 0.000 0.297 436 V C -0.639 175.630 176.094 0.290 0.000 1.027 436 V CA -0.938 61.492 62.300 0.216 0.000 0.855 436 V CB 1.798 33.772 31.823 0.252 0.000 0.995 436 V HN 0.462 nan 8.190 nan 0.000 0.424 437 V N 5.471 125.496 119.914 0.186 0.000 2.531 437 V HA 0.620 4.739 4.120 -0.001 0.000 0.301 437 V C -0.601 175.448 176.094 -0.075 0.000 1.034 437 V CA -0.527 61.851 62.300 0.130 0.000 0.865 437 V CB 2.275 34.211 31.823 0.190 0.000 0.995 437 V HN 0.613 nan 8.190 nan 0.000 0.424 438 V N 6.376 126.086 119.914 -0.340 0.000 2.577 438 V HA 0.605 4.724 4.120 -0.001 0.000 0.303 438 V C -0.386 175.564 176.094 -0.240 0.000 1.042 438 V CA -0.502 61.529 62.300 -0.450 0.000 0.872 438 V CB 1.791 32.952 31.823 -1.103 0.000 0.998 438 V HN 0.830 nan 8.190 nan 0.000 0.423 439 I N 3.065 123.586 120.570 -0.081 0.000 2.846 439 I HA 0.811 4.981 4.170 -0.001 0.000 0.307 439 I C -2.638 173.509 176.117 0.049 0.000 1.053 439 I CA -2.690 58.584 61.300 -0.044 0.000 1.050 439 I CB 2.686 40.675 38.000 -0.018 0.000 1.239 439 I HN 0.394 nan 8.210 nan 0.000 0.439 440 P HA 0.133 nan 4.420 nan 0.000 0.274 440 P C -0.398 177.093 177.300 0.319 0.000 1.231 440 P CA 0.042 63.251 63.100 0.182 0.000 0.790 440 P CB 0.896 32.681 31.700 0.143 0.000 0.951 441 T N -0.098 114.619 114.554 0.273 0.000 2.904 441 T HA 0.310 4.660 4.350 -0.001 0.000 0.290 441 T C 0.596 175.403 174.700 0.179 0.000 1.018 441 T CA -0.906 61.311 62.100 0.195 0.000 1.075 441 T CB 0.428 69.325 68.868 0.048 0.000 0.986 441 T HN 0.265 nan 8.240 nan 0.000 0.523 442 R N 1.731 122.223 120.500 -0.013 0.000 2.893 442 R HA 0.249 4.588 4.340 -0.001 0.000 0.243 442 R C -0.154 176.078 176.300 -0.113 0.000 1.481 442 R CA -0.334 55.653 56.100 -0.188 0.000 1.250 442 R CB -0.284 29.799 30.300 -0.361 0.000 1.213 442 R HN 0.553 nan 8.270 nan 0.000 0.609 443 L N 3.837 125.026 121.223 -0.057 0.000 2.410 443 L HA 0.096 4.435 4.340 -0.001 0.000 0.273 443 L C 0.148 176.974 176.870 -0.074 0.000 1.144 443 L CA -0.385 54.413 54.840 -0.071 0.000 0.863 443 L CB 0.929 42.962 42.059 -0.044 0.000 1.140 443 L HN 0.307 nan 8.230 nan 0.000 0.463 444 V N 2.695 122.556 119.914 -0.088 0.000 2.304 444 V HA 0.216 4.335 4.120 -0.001 0.000 0.269 444 V C 0.663 176.717 176.094 -0.067 0.000 1.036 444 V CA -0.835 61.418 62.300 -0.078 0.000 0.840 444 V CB 0.831 32.601 31.823 -0.087 0.000 1.036 444 V HN 0.841 nan 8.190 nan 0.000 0.466 445 Q N 3.569 123.340 119.800 -0.048 0.000 1.991 445 Q HA -0.216 4.123 4.340 -0.001 0.000 0.213 445 Q C 0.689 176.663 176.000 -0.042 0.000 1.022 445 Q CA 2.524 58.306 55.803 -0.036 0.000 0.877 445 Q CB -0.456 28.271 28.738 -0.019 0.000 0.970 445 Q HN 0.878 nan 8.270 nan 0.000 0.414 446 N N 0.406 119.081 118.700 -0.041 0.000 2.727 446 N HA 0.275 5.014 4.740 -0.001 0.000 0.252 446 N C -2.715 172.768 175.510 -0.046 0.000 1.283 446 N CA -1.052 51.974 53.050 -0.040 0.000 0.782 446 N CB 1.245 39.714 38.487 -0.031 0.000 1.199 446 N HN 0.122 nan 8.380 nan 0.000 0.520 447 P HA 0.122 nan 4.420 nan 0.000 0.281 447 P C 1.103 178.371 177.300 -0.054 0.000 1.249 447 P CA -0.520 62.545 63.100 -0.057 0.000 0.810 447 P CB 1.666 33.327 31.700 -0.066 0.000 1.008 448 V N 1.591 121.473 119.914 -0.054 0.000 2.453 448 V HA -0.138 3.981 4.120 -0.001 0.000 0.252 448 V C 0.770 176.831 176.094 -0.055 0.000 1.068 448 V CA 1.681 63.950 62.300 -0.051 0.000 1.070 448 V CB -0.543 31.251 31.823 -0.049 0.000 0.664 448 V HN 0.415 nan 8.190 nan 0.000 0.461 449 L N -0.644 120.543 121.223 -0.060 0.000 2.372 449 L HA 0.479 4.818 4.340 -0.001 0.000 0.274 449 L C 0.742 177.573 176.870 -0.064 0.000 0.988 449 L CA 0.491 55.293 54.840 -0.063 0.000 0.833 449 L CB 1.575 43.595 42.059 -0.065 0.000 1.236 449 L HN 0.065 nan 8.230 nan 0.000 0.410 450 T N 2.225 116.741 114.554 -0.062 0.000 3.010 450 T HA 0.084 4.433 4.350 -0.001 0.000 0.252 450 T C 0.553 175.217 174.700 -0.060 0.000 1.047 450 T CA 0.784 62.848 62.100 -0.060 0.000 1.140 450 T CB 0.079 68.914 68.868 -0.054 0.000 0.885 450 T HN 0.446 nan 8.240 nan 0.000 0.464 451 V N 0.998 120.875 119.914 -0.062 0.000 2.540 451 V HA 0.571 4.690 4.120 -0.001 0.000 0.297 451 V C 1.229 177.285 176.094 -0.063 0.000 1.024 451 V CA -0.125 62.139 62.300 -0.062 0.000 1.105 451 V CB -0.341 31.440 31.823 -0.070 0.000 0.938 451 V HN 0.653 nan 8.190 nan 0.000 0.482 452 G N 2.940 111.707 108.800 -0.056 0.000 2.160 452 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.244 452 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.244 452 G C 0.229 175.086 174.900 -0.073 0.000 1.022 452 G CA 0.426 45.492 45.100 -0.057 0.000 0.741 452 G HN 0.868 nan 8.290 nan 0.000 0.508 453 L N -0.112 121.062 121.223 -0.082 0.000 2.072 453 L HA 0.076 4.415 4.340 -0.001 0.000 0.205 453 L C 3.140 179.905 176.870 -0.175 0.000 1.079 453 L CA 1.625 56.400 54.840 -0.109 0.000 0.752 453 L CB -0.929 41.069 42.059 -0.101 0.000 0.906 453 L HN 0.352 nan 8.230 nan 0.000 0.436 454 G N 0.293 108.969 108.800 -0.207 0.000 2.476 454 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.218 454 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.218 454 G C 1.149 175.820 174.900 -0.383 0.000 1.164 454 G CA 1.150 45.958 45.100 -0.486 0.000 0.768 454 G HN 0.339 nan 8.290 nan 0.000 0.560 455 D N 0.078 120.394 120.400 -0.139 0.000 2.144 455 D HA -0.073 4.566 4.640 -0.001 0.000 0.199 455 D C 2.622 178.882 176.300 -0.066 0.000 0.984 455 D CA 1.505 55.471 54.000 -0.057 0.000 0.834 455 D CB -0.516 40.273 40.800 -0.019 0.000 0.955 455 D HN 0.260 nan 8.370 nan 0.000 0.465 456 T N 1.157 115.661 114.554 -0.083 0.000 2.857 456 T HA 0.005 4.354 4.350 -0.001 0.000 0.266 456 T C 2.258 176.931 174.700 -0.045 0.000 1.048 456 T CA 0.228 62.300 62.100 -0.048 0.000 1.139 456 T CB -0.010 68.825 68.868 -0.055 0.000 0.874 456 T HN 0.136 nan 8.240 nan 0.000 0.455 457 I N 1.220 121.718 120.570 -0.121 0.000 2.127 457 I HA -0.201 3.968 4.170 -0.001 0.000 0.241 457 I C 2.662 178.754 176.117 -0.041 0.000 1.075 457 I CA 1.109 62.346 61.300 -0.105 0.000 1.334 457 I CB -0.362 37.490 38.000 -0.245 0.000 1.040 457 I HN 0.186 nan 8.210 nan 0.000 0.405 458 S N 0.734 116.383 115.700 -0.085 0.000 2.368 458 S HA -0.150 4.319 4.470 -0.001 0.000 0.225 458 S C 2.261 176.819 174.600 -0.069 0.000 1.030 458 S CA 1.212 59.381 58.200 -0.052 0.000 0.999 458 S CB -0.424 62.787 63.200 0.019 0.000 0.844 458 S HN 0.544 nan 8.310 nan 0.000 0.459 459 A N 1.613 124.426 122.820 -0.012 0.000 1.908 459 A HA -0.002 4.317 4.320 -0.001 0.000 0.218 459 A C 2.325 179.988 177.584 0.131 0.000 1.181 459 A CA 1.866 53.936 52.037 0.054 0.000 0.627 459 A CB -1.422 17.614 19.000 0.059 0.000 0.818 459 A HN 0.528 nan 8.150 nan 0.000 0.445 460 G N -0.926 107.991 108.800 0.195 0.000 2.394 460 G HA2 0.094 4.054 3.960 -0.001 0.000 0.215 460 G HA3 0.094 4.054 3.960 -0.001 0.000 0.215 460 G C 1.746 176.828 174.900 0.303 0.000 1.165 460 G CA 1.291 46.631 45.100 0.401 0.000 0.784 460 G HN 0.790 nan 8.290 nan 0.000 0.535 461 A N 0.376 123.344 122.820 0.247 0.000 1.902 461 A HA 0.059 4.378 4.320 -0.001 0.000 0.217 461 A C 2.171 179.949 177.584 0.324 0.000 1.181 461 A CA 1.591 53.787 52.037 0.264 0.000 0.623 461 A CB -0.540 18.560 19.000 0.167 0.000 0.818 461 A HN 0.376 nan 8.150 nan 0.000 0.443 462 F N -0.071 119.909 119.950 0.051 0.000 2.206 462 F HA -0.027 4.499 4.527 -0.002 0.000 0.298 462 F C 1.791 177.628 175.800 0.063 0.000 1.090 462 F CA 1.139 59.175 58.000 0.061 0.000 1.323 462 F CB -0.384 38.511 39.000 -0.175 0.000 1.028 462 F HN 0.184 nan 8.300 nan 0.000 0.492 463 L N 0.487 121.660 121.223 -0.083 0.000 1.990 463 L HA -0.240 4.099 4.340 -0.001 0.000 0.213 463 L C 2.647 179.281 176.870 -0.392 0.000 1.072 463 L CA 2.827 57.495 54.840 -0.286 0.000 0.755 463 L CB -1.286 40.636 42.059 -0.228 0.000 0.889 463 L HN 0.399 nan 8.230 nan 0.000 0.432 464 T N -3.740 110.590 114.554 -0.374 0.000 2.857 464 T HA -0.259 4.090 4.350 -0.001 0.000 0.266 464 T C 1.907 176.483 174.700 -0.207 0.000 1.048 464 T CA 1.357 63.189 62.100 -0.446 0.000 1.139 464 T CB -1.111 67.521 68.868 -0.393 0.000 0.874 464 T HN 0.495 nan 8.240 nan 0.000 0.455 465 Y N 2.191 122.458 120.300 -0.055 0.000 2.128 465 Y HA -0.083 4.466 4.550 -0.002 0.000 0.284 465 Y C 2.157 177.985 175.900 -0.119 0.000 1.154 465 Y CA 1.288 59.421 58.100 0.054 0.000 1.149 465 Y CB -0.405 38.126 38.460 0.119 0.000 0.976 465 Y HN 0.116 nan 8.280 nan 0.000 0.505 466 L N 0.310 121.298 121.223 -0.391 0.000 2.012 466 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 466 L C 2.613 179.272 176.870 -0.352 0.000 1.073 466 L CA 1.998 56.567 54.840 -0.451 0.000 0.748 466 L CB -0.816 40.937 42.059 -0.509 0.000 0.891 466 L HN 0.377 nan 8.230 nan 0.000 0.431 467 E N 0.610 120.572 120.200 -0.397 0.000 2.058 467 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 467 E C 2.235 178.659 176.600 -0.294 0.000 0.997 467 E CA 1.715 57.888 56.400 -0.378 0.000 0.801 467 E CB -0.217 29.147 29.700 -0.561 0.000 0.746 467 E HN 0.467 nan 8.360 nan 0.000 0.450 468 F N 0.713 120.584 119.950 -0.132 0.000 2.186 468 F HA -0.119 4.407 4.527 -0.002 0.000 0.299 468 F C 2.405 178.179 175.800 -0.044 0.000 1.090 468 F CA 0.482 58.448 58.000 -0.056 0.000 1.307 468 F CB -0.102 38.883 39.000 -0.025 0.000 1.019 468 F HN 0.035 nan 8.300 nan 0.000 0.489 469 L N 0.169 121.350 121.223 -0.070 0.000 2.017 469 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 469 L C 2.493 179.355 176.870 -0.013 0.000 1.073 469 L CA 1.515 56.288 54.840 -0.112 0.000 0.745 469 L CB -0.597 41.290 42.059 -0.287 0.000 0.894 469 L HN 0.060 nan 8.230 nan 0.000 0.432 470 K N 0.265 120.633 120.400 -0.054 0.000 2.044 470 K HA -0.206 4.113 4.320 -0.001 0.000 0.210 470 K C 2.237 178.843 176.600 0.010 0.000 1.049 470 K CA 1.502 57.775 56.287 -0.023 0.000 0.927 470 K CB -0.054 32.429 32.500 -0.028 0.000 0.713 470 K HN 0.122 nan 8.250 nan 0.000 0.443 471 R N -0.442 120.073 120.500 0.025 0.000 2.159 471 R HA -0.091 4.249 4.340 -0.001 0.000 0.237 471 R C 0.708 176.993 176.300 -0.026 0.000 1.131 471 R CA 1.024 57.127 56.100 0.005 0.000 0.982 471 R CB -0.474 29.845 30.300 0.031 0.000 0.868 471 R HN 0.405 nan 8.270 nan 0.000 0.453 472 H N 0.000 119.070 119.070 0.000 0.000 2.539 472 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 472 H CA 0.000 56.044 56.048 -0.007 0.000 1.023 472 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 472 H HN 0.000 nan 8.280 nan 0.000 0.496