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 3ab4_1_O DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTXXXXX DATA SEQUENCE XXXXXXXXXX XXXDVTPGRV REALDEGKIC IVAXXXXXXX XXXXXXXXXR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNXX DATA SEQUENCE XXXDGTTDIT FTCPRSDGRR AMEILKKXXX QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.596 177.584 0.020 0.000 1.274 2 A CA 0.000 52.048 52.037 0.018 0.000 0.836 2 A CB 0.000 19.012 19.000 0.020 0.000 0.831 3 L N 1.896 123.130 121.223 0.018 0.000 2.280 3 L HA 0.720 5.060 4.340 0.000 0.000 0.287 3 L C -0.981 175.902 176.870 0.022 0.000 1.023 3 L CA -0.755 54.096 54.840 0.018 0.000 0.819 3 L CB 1.050 43.115 42.059 0.010 0.000 1.212 3 L HN 0.855 nan 8.230 nan 0.000 0.420 4 V N 6.296 126.229 119.914 0.031 0.000 2.588 4 V HA 0.547 4.667 4.120 0.000 0.000 0.304 4 V C -0.864 175.257 176.094 0.044 0.000 1.042 4 V CA -0.348 61.974 62.300 0.037 0.000 0.877 4 V CB 2.317 34.169 31.823 0.049 0.000 0.996 4 V HN 0.450 nan 8.190 nan 0.000 0.425 5 V N 6.878 126.813 119.914 0.036 0.000 2.483 5 V HA 0.563 4.683 4.120 0.000 0.000 0.295 5 V C -0.238 175.880 176.094 0.041 0.000 1.035 5 V CA -0.441 61.883 62.300 0.039 0.000 0.896 5 V CB 1.680 33.516 31.823 0.021 0.000 0.986 5 V HN 0.971 nan 8.190 nan 0.000 0.447 6 Q N 3.662 123.500 119.800 0.063 0.000 2.321 6 Q HA 0.462 4.803 4.340 0.000 0.000 0.270 6 Q C -0.877 175.095 176.000 -0.046 0.000 1.032 6 Q CA -0.737 55.081 55.803 0.024 0.000 0.784 6 Q CB 2.836 31.648 28.738 0.124 0.000 1.264 6 Q HN 0.478 nan 8.270 nan 0.000 0.448 7 K N 2.888 123.210 120.400 -0.129 0.000 2.274 7 K HA 0.351 4.671 4.320 0.000 0.000 0.262 7 K C -1.727 174.776 176.600 -0.160 0.000 0.961 7 K CA -0.506 55.742 56.287 -0.065 0.000 0.833 7 K CB 0.862 33.351 32.500 -0.019 0.000 1.102 7 K HN 0.575 nan 8.250 nan 0.000 0.436 8 Y N 1.150 121.533 120.300 0.137 0.000 2.326 8 Y HA 0.332 4.882 4.550 0.000 0.000 0.331 8 Y C 0.923 176.876 175.900 0.089 0.000 0.962 8 Y CA -0.491 57.682 58.100 0.121 0.000 1.167 8 Y CB 1.898 40.379 38.460 0.035 0.000 1.148 8 Y HN 0.750 nan 8.280 nan 0.000 0.463 9 G N 0.871 109.803 108.800 0.220 0.000 2.621 9 G HA2 0.327 4.287 3.960 0.000 0.000 0.271 9 G HA3 0.327 4.287 3.960 0.000 0.000 0.271 9 G C 1.109 176.093 174.900 0.141 0.000 1.236 9 G CA -0.168 45.022 45.100 0.150 0.000 0.958 9 G HN 0.841 nan 8.290 nan 0.000 0.512 10 G N -0.448 108.414 108.800 0.103 0.000 2.440 10 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 10 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 10 G C 2.165 177.122 174.900 0.096 0.000 1.154 10 G CA 2.020 47.170 45.100 0.084 0.000 0.767 10 G HN 1.012 nan 8.290 nan 0.000 0.552 11 S N 0.150 115.921 115.700 0.118 0.000 2.406 11 S HA -0.009 4.461 4.470 0.000 0.000 0.228 11 S C 2.352 177.075 174.600 0.205 0.000 1.020 11 S CA 1.567 59.854 58.200 0.145 0.000 0.965 11 S CB -0.296 62.988 63.200 0.140 0.000 0.798 11 S HN 0.176 nan 8.310 nan 0.000 0.488 12 S N 1.422 117.247 115.700 0.208 0.000 2.447 12 S HA 0.246 4.716 4.470 0.000 0.000 0.233 12 S C 1.049 175.674 174.600 0.042 0.000 1.006 12 S CA 0.765 59.063 58.200 0.163 0.000 0.957 12 S CB -0.330 63.022 63.200 0.255 0.000 0.773 12 S HN 0.532 nan 8.310 nan 0.000 0.507 13 L N 1.425 122.682 121.223 0.057 0.000 3.141 13 L HA 0.269 4.609 4.340 0.000 0.000 0.267 13 L C 1.593 178.474 176.870 0.018 0.000 1.281 13 L CA -0.053 54.790 54.840 0.006 0.000 1.037 13 L CB 0.000 42.067 42.059 0.013 0.000 1.407 13 L HN 0.328 nan 8.230 nan 0.000 0.566 14 E N 0.317 120.541 120.200 0.039 0.000 2.435 14 E HA -0.007 4.343 4.350 0.000 0.000 0.195 14 E C 0.615 177.231 176.600 0.026 0.000 1.029 14 E CA 0.480 56.907 56.400 0.044 0.000 0.865 14 E CB 0.436 30.177 29.700 0.070 0.000 0.833 14 E HN 0.393 nan 8.360 nan 0.000 0.510 15 S N -1.661 114.045 115.700 0.011 0.000 2.656 15 S HA 0.647 5.117 4.470 0.000 0.000 0.273 15 S C 0.725 175.313 174.600 -0.019 0.000 1.168 15 S CA -0.463 57.738 58.200 0.001 0.000 0.817 15 S CB 1.188 64.394 63.200 0.010 0.000 1.146 15 S HN 0.061 nan 8.310 nan 0.000 0.475 16 A N 0.851 123.659 122.820 -0.020 0.000 1.877 16 A HA -0.055 4.265 4.320 0.000 0.000 0.216 16 A C 1.985 179.542 177.584 -0.044 0.000 1.186 16 A CA 1.969 53.987 52.037 -0.032 0.000 0.620 16 A CB -1.450 17.536 19.000 -0.024 0.000 0.822 16 A HN 1.006 nan 8.150 nan 0.000 0.443 17 E N -0.591 119.587 120.200 -0.036 0.000 2.065 17 E HA -0.269 4.081 4.350 0.000 0.000 0.201 17 E C 2.206 178.761 176.600 -0.074 0.000 1.016 17 E CA 1.425 57.798 56.400 -0.044 0.000 0.818 17 E CB -0.104 29.582 29.700 -0.024 0.000 0.749 17 E HN 0.392 nan 8.360 nan 0.000 0.453 18 R N 0.040 120.495 120.500 -0.076 0.000 2.148 18 R HA -0.038 4.303 4.340 0.000 0.000 0.227 18 R C 2.415 178.619 176.300 -0.160 0.000 1.103 18 R CA 0.737 56.759 56.100 -0.130 0.000 0.983 18 R CB -0.372 29.875 30.300 -0.089 0.000 0.874 18 R HN 0.405 nan 8.270 nan 0.000 0.451 19 I N 0.361 120.857 120.570 -0.124 0.000 2.202 19 I HA -0.237 3.933 4.170 0.000 0.000 0.242 19 I C 2.448 178.466 176.117 -0.165 0.000 1.091 19 I CA 1.153 62.364 61.300 -0.147 0.000 1.368 19 I CB -0.177 37.763 38.000 -0.100 0.000 1.058 19 I HN 0.083 nan 8.210 nan 0.000 0.410 20 R N 0.442 120.867 120.500 -0.125 0.000 2.105 20 R HA -0.192 4.148 4.340 0.000 0.000 0.239 20 R C 2.163 178.379 176.300 -0.140 0.000 1.135 20 R CA 1.407 57.438 56.100 -0.115 0.000 0.967 20 R CB -0.559 29.692 30.300 -0.082 0.000 0.861 20 R HN 0.447 nan 8.270 nan 0.000 0.442 21 N N 0.758 119.362 118.700 -0.160 0.000 2.142 21 N HA -0.115 4.625 4.740 0.000 0.000 0.186 21 N C 1.684 177.050 175.510 -0.239 0.000 1.023 21 N CA 1.161 54.103 53.050 -0.180 0.000 0.852 21 N CB 0.181 38.547 38.487 -0.202 0.000 0.998 21 N HN 0.007 nan 8.380 nan 0.000 0.424 22 V N 1.722 121.441 119.914 -0.325 0.000 2.515 22 V HA -0.149 3.971 4.120 0.000 0.000 0.250 22 V C 2.597 178.439 176.094 -0.419 0.000 1.058 22 V CA 1.544 63.534 62.300 -0.516 0.000 1.064 22 V CB -0.936 30.412 31.823 -0.792 0.000 0.675 22 V HN 0.347 nan 8.190 nan 0.000 0.461 23 A N -0.208 122.444 122.820 -0.281 0.000 1.865 23 A HA -0.276 4.044 4.320 0.000 0.000 0.217 23 A C 2.351 179.852 177.584 -0.138 0.000 1.191 23 A CA 2.020 53.945 52.037 -0.187 0.000 0.623 23 A CB -0.538 18.381 19.000 -0.135 0.000 0.826 23 A HN 0.492 nan 8.150 nan 0.000 0.444 24 E N 0.004 120.129 120.200 -0.126 0.000 2.077 24 E HA -0.230 4.120 4.350 0.000 0.000 0.193 24 E C 2.268 178.822 176.600 -0.076 0.000 0.989 24 E CA 1.396 57.744 56.400 -0.086 0.000 0.800 24 E CB -0.304 29.350 29.700 -0.077 0.000 0.746 24 E HN 0.628 nan 8.360 nan 0.000 0.452 25 R N 0.278 120.713 120.500 -0.108 0.000 2.081 25 R HA -0.112 4.228 4.340 0.000 0.000 0.235 25 R C 2.618 178.899 176.300 -0.031 0.000 1.131 25 R CA 1.418 57.473 56.100 -0.074 0.000 0.960 25 R CB -0.327 29.898 30.300 -0.125 0.000 0.856 25 R HN 0.173 nan 8.270 nan 0.000 0.436 26 I N 0.384 120.918 120.570 -0.059 0.000 2.163 26 I HA -0.269 3.901 4.170 0.000 0.000 0.243 26 I C 2.221 178.343 176.117 0.007 0.000 1.085 26 I CA 1.106 62.407 61.300 0.003 0.000 1.347 26 I CB -0.122 37.862 38.000 -0.027 0.000 1.044 26 I HN 0.030 nan 8.210 nan 0.000 0.408 27 V N 0.785 120.689 119.914 -0.018 0.000 2.515 27 V HA -0.217 3.903 4.120 0.000 0.000 0.250 27 V C 2.536 178.631 176.094 0.002 0.000 1.058 27 V CA 1.764 64.059 62.300 -0.008 0.000 1.064 27 V CB -0.911 30.900 31.823 -0.021 0.000 0.675 27 V HN 0.495 nan 8.190 nan 0.000 0.461 28 A N -0.485 122.336 122.820 0.001 0.000 2.067 28 A HA -0.113 4.208 4.320 0.000 0.000 0.217 28 A C 2.350 179.949 177.584 0.026 0.000 1.156 28 A CA 1.860 53.903 52.037 0.010 0.000 0.683 28 A CB -0.582 18.422 19.000 0.006 0.000 0.808 28 A HN 0.479 nan 8.150 nan 0.000 0.455 29 T N 0.535 115.112 114.554 0.038 0.000 2.812 29 T HA -0.095 4.255 4.350 0.000 0.000 0.264 29 T C 1.922 176.649 174.700 0.044 0.000 1.042 29 T CA 1.829 63.962 62.100 0.055 0.000 1.140 29 T CB -0.156 68.762 68.868 0.083 0.000 0.870 29 T HN 0.785 nan 8.240 nan 0.000 0.445 30 K N 1.575 121.998 120.400 0.038 0.000 2.418 30 K HA 0.177 4.497 4.320 0.000 0.000 0.195 30 K C 1.909 178.523 176.600 0.023 0.000 1.035 30 K CA 0.951 57.257 56.287 0.031 0.000 1.003 30 K CB 0.014 32.533 32.500 0.032 0.000 0.793 30 K HN 0.152 nan 8.250 nan 0.000 0.494 31 K N 0.741 121.153 120.400 0.020 0.000 2.097 31 K HA 0.030 4.350 4.320 0.000 0.000 0.205 31 K C 1.658 178.268 176.600 0.017 0.000 1.050 31 K CA 1.080 57.376 56.287 0.015 0.000 0.938 31 K CB -0.248 32.259 32.500 0.011 0.000 0.718 31 K HN 0.266 nan 8.250 nan 0.000 0.442 32 A N 0.030 122.863 122.820 0.021 0.000 2.255 32 A HA 0.145 4.465 4.320 0.000 0.000 0.206 32 A C 1.278 178.875 177.584 0.021 0.000 1.193 32 A CA 1.021 53.070 52.037 0.021 0.000 0.794 32 A CB -0.597 18.419 19.000 0.026 0.000 0.794 32 A HN 0.634 nan 8.150 nan 0.000 0.481 33 G N -1.102 107.710 108.800 0.020 0.000 2.218 33 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 33 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 33 G C 0.064 174.977 174.900 0.021 0.000 0.994 33 G CA -0.028 45.083 45.100 0.019 0.000 0.637 33 G HN 0.626 nan 8.290 nan 0.000 0.505 34 N N 1.180 119.896 118.700 0.026 0.000 2.444 34 N HA 0.481 5.221 4.740 0.000 0.000 0.255 34 N C -0.951 174.578 175.510 0.030 0.000 1.255 34 N CA 0.006 53.074 53.050 0.029 0.000 0.933 34 N CB 0.594 39.103 38.487 0.037 0.000 1.143 34 N HN 0.152 nan 8.380 nan 0.000 0.453 35 D N 0.038 120.456 120.400 0.030 0.000 2.168 35 D HA 0.433 5.073 4.640 0.000 0.000 0.246 35 D C -1.123 175.201 176.300 0.040 0.000 1.050 35 D CA -0.306 53.713 54.000 0.033 0.000 0.857 35 D CB 1.563 42.379 40.800 0.026 0.000 1.169 35 D HN 0.123 nan 8.370 nan 0.000 0.453 36 V N 2.700 122.643 119.914 0.049 0.000 2.686 36 V HA 0.701 4.822 4.120 0.000 0.000 0.306 36 V C -1.356 174.780 176.094 0.071 0.000 1.065 36 V CA -0.699 61.639 62.300 0.062 0.000 0.894 36 V CB 1.884 33.752 31.823 0.075 0.000 1.004 36 V HN 0.356 nan 8.190 nan 0.000 0.424 37 V N 6.445 126.401 119.914 0.071 0.000 2.540 37 V HA 0.940 5.060 4.120 0.000 0.000 0.302 37 V C -0.668 175.485 176.094 0.097 0.000 1.035 37 V CA 0.005 62.354 62.300 0.081 0.000 0.873 37 V CB 1.561 33.413 31.823 0.050 0.000 0.992 37 V HN 1.819 nan 8.190 nan 0.000 0.428 38 V N 5.038 125.025 119.914 0.122 0.000 2.715 38 V HA 0.926 5.046 4.120 0.000 0.000 0.310 38 V C -0.794 175.385 176.094 0.141 0.000 1.054 38 V CA -0.412 61.983 62.300 0.159 0.000 0.928 38 V CB 2.057 34.017 31.823 0.230 0.000 1.007 38 V HN 0.973 nan 8.190 nan 0.000 0.437 39 V N 3.948 123.949 119.914 0.145 0.000 2.487 39 V HA 0.510 4.630 4.120 0.000 0.000 0.298 39 V C -0.104 176.081 176.094 0.151 0.000 1.028 39 V CA -0.372 61.999 62.300 0.117 0.000 0.860 39 V CB 1.387 33.255 31.823 0.075 0.000 0.991 39 V HN 1.153 nan 8.190 nan 0.000 0.427 40 C N 2.937 122.313 119.300 0.126 0.000 2.376 40 C HA 0.688 5.148 4.460 0.000 0.000 0.335 40 C C 1.041 176.087 174.990 0.093 0.000 1.229 40 C CA -0.438 58.658 59.018 0.129 0.000 1.867 40 C CB 1.155 28.949 27.740 0.090 0.000 2.319 40 C HN 0.905 nan 8.230 nan 0.000 0.515 41 S N 0.966 116.725 115.700 0.098 0.000 2.655 41 S HA 0.628 5.098 4.470 0.000 0.000 0.265 41 S C 0.440 175.075 174.600 0.059 0.000 1.240 41 S CA -0.425 57.818 58.200 0.071 0.000 0.986 41 S CB 0.717 63.963 63.200 0.077 0.000 0.985 41 S HN 1.004 nan 8.310 nan 0.000 0.562 42 A N 1.196 124.043 122.820 0.045 0.000 2.366 42 A HA 0.443 4.764 4.320 0.000 0.000 0.249 42 A C 0.229 177.836 177.584 0.038 0.000 1.084 42 A CA -0.351 51.708 52.037 0.035 0.000 0.794 42 A CB -0.182 18.835 19.000 0.028 0.000 1.034 42 A HN 0.792 nan 8.150 nan 0.000 0.491 43 M N 1.840 121.458 119.600 0.029 0.000 2.303 43 M HA 0.168 4.648 4.480 0.000 0.000 0.350 43 M C 1.270 177.590 176.300 0.033 0.000 1.518 43 M CA 0.721 56.039 55.300 0.029 0.000 1.070 43 M CB -0.308 32.302 32.600 0.017 0.000 1.910 43 M HN 0.967 nan 8.290 nan 0.000 0.458 44 G N 3.844 112.670 108.800 0.043 0.000 2.816 44 G HA2 -0.211 3.749 3.960 0.000 0.000 0.341 44 G HA3 -0.211 3.749 3.960 0.000 0.000 0.341 44 G C 0.299 175.220 174.900 0.035 0.000 0.171 44 G CA 0.321 45.448 45.100 0.045 0.000 1.218 44 G HN 1.017 nan 8.290 nan 0.000 0.433 45 D N -0.252 120.168 120.400 0.034 0.000 2.876 45 D HA -0.260 4.380 4.640 0.000 0.000 0.196 45 D C 1.844 178.157 176.300 0.023 0.000 1.014 45 D CA 2.228 56.244 54.000 0.027 0.000 1.012 45 D CB -1.575 39.239 40.800 0.024 0.000 1.080 45 D HN 0.984 nan 8.370 nan 0.000 0.438 46 T N -2.301 112.267 114.554 0.023 0.000 2.915 46 T HA -0.137 4.213 4.350 0.000 0.000 0.269 46 T C 1.879 176.590 174.700 0.019 0.000 1.071 46 T CA 2.395 64.507 62.100 0.019 0.000 1.132 46 T CB -0.249 68.629 68.868 0.017 0.000 0.878 46 T HN 0.356 nan 8.240 nan 0.000 0.479 47 T N -0.293 114.274 114.554 0.021 0.000 2.904 47 T HA -0.077 4.273 4.350 0.000 0.000 0.267 47 T C 1.697 176.407 174.700 0.018 0.000 1.059 47 T CA 1.216 63.328 62.100 0.019 0.000 1.137 47 T CB -0.542 68.339 68.868 0.021 0.000 0.879 47 T HN 0.257 nan 8.240 nan 0.000 0.467 48 D N 1.204 121.615 120.400 0.019 0.000 2.117 48 D HA -0.029 4.611 4.640 0.000 0.000 0.198 48 D C 2.218 178.527 176.300 0.016 0.000 0.982 48 D CA 1.122 55.132 54.000 0.017 0.000 0.828 48 D CB -0.259 40.553 40.800 0.019 0.000 0.967 48 D HN 0.618 nan 8.370 nan 0.000 0.464 49 E N -0.125 120.084 120.200 0.015 0.000 2.085 49 E HA -0.156 4.194 4.350 0.000 0.000 0.194 49 E C 1.975 178.582 176.600 0.012 0.000 0.994 49 E CA 0.511 56.919 56.400 0.013 0.000 0.801 49 E CB 0.064 29.772 29.700 0.013 0.000 0.743 49 E HN 0.070 nan 8.360 nan 0.000 0.453 50 L N 0.301 121.532 121.223 0.013 0.000 2.141 50 L HA -0.143 4.198 4.340 0.000 0.000 0.209 50 L C 2.096 178.973 176.870 0.011 0.000 1.094 50 L CA 1.387 56.234 54.840 0.012 0.000 0.763 50 L CB -0.552 41.514 42.059 0.012 0.000 0.908 50 L HN 0.189 nan 8.230 nan 0.000 0.437 51 L N -0.989 120.242 121.223 0.012 0.000 2.093 51 L HA -0.195 4.145 4.340 0.000 0.000 0.208 51 L C 2.509 179.386 176.870 0.011 0.000 1.085 51 L CA 1.126 55.973 54.840 0.012 0.000 0.755 51 L CB -0.333 41.734 42.059 0.013 0.000 0.904 51 L HN 0.350 nan 8.230 nan 0.000 0.435 52 E N 0.117 120.324 120.200 0.012 0.000 2.110 52 E HA -0.248 4.102 4.350 0.000 0.000 0.193 52 E C 2.206 178.812 176.600 0.010 0.000 0.988 52 E CA 0.938 57.345 56.400 0.011 0.000 0.804 52 E CB 0.118 29.825 29.700 0.011 0.000 0.745 52 E HN 0.204 nan 8.360 nan 0.000 0.458 53 L N 0.800 122.029 121.223 0.009 0.000 2.027 53 L HA -0.023 4.318 4.340 0.000 0.000 0.206 53 L C 2.377 179.252 176.870 0.008 0.000 1.074 53 L CA 1.939 56.785 54.840 0.008 0.000 0.745 53 L CB -1.212 40.852 42.059 0.008 0.000 0.898 53 L HN 0.234 nan 8.230 nan 0.000 0.433 54 A N -0.571 122.254 122.820 0.009 0.000 1.873 54 A HA -0.234 4.086 4.320 0.000 0.000 0.218 54 A C 2.460 180.049 177.584 0.008 0.000 1.193 54 A CA 2.214 54.256 52.037 0.008 0.000 0.629 54 A CB -1.145 17.861 19.000 0.009 0.000 0.826 54 A HN 0.453 nan 8.150 nan 0.000 0.447 55 A N -0.580 122.245 122.820 0.009 0.000 1.986 55 A HA 0.085 4.406 4.320 0.000 0.000 0.220 55 A C 2.355 179.944 177.584 0.008 0.000 1.171 55 A CA 2.323 54.365 52.037 0.009 0.000 0.640 55 A CB -0.784 18.222 19.000 0.010 0.000 0.811 55 A HN 1.189 nan 8.150 nan 0.000 0.451 56 A N -1.501 121.323 122.820 0.008 0.000 2.081 56 A HA 0.318 4.638 4.320 0.000 0.000 0.214 56 A C 1.954 179.542 177.584 0.006 0.000 1.158 56 A CA 1.103 53.144 52.037 0.007 0.000 0.724 56 A CB -0.191 18.813 19.000 0.007 0.000 0.826 56 A HN 0.323 nan 8.150 nan 0.000 0.463 57 V N -0.095 119.822 119.914 0.006 0.000 3.052 57 V HA 0.085 4.205 4.120 0.000 0.000 0.254 57 V C 0.566 176.664 176.094 0.006 0.000 1.100 57 V CA 1.333 63.637 62.300 0.006 0.000 1.112 57 V CB -0.531 31.295 31.823 0.006 0.000 0.738 57 V HN 0.734 nan 8.190 nan 0.000 0.469 58 N N -0.699 118.004 118.700 0.006 0.000 2.648 58 N HA 0.174 4.914 4.740 0.000 0.000 0.272 58 N C -2.456 173.058 175.510 0.006 0.000 1.118 58 N CA -0.753 52.301 53.050 0.006 0.000 0.973 58 N CB 2.165 40.655 38.487 0.006 0.000 1.565 58 N HN -0.198 nan 8.380 nan 0.000 0.542 59 P HA -0.056 nan 4.420 nan 0.000 0.222 59 P C -0.213 177.091 177.300 0.007 0.000 1.147 59 P CA 0.814 63.917 63.100 0.007 0.000 0.790 59 P CB 0.432 32.136 31.700 0.006 0.000 0.780 60 V N 1.913 121.831 119.914 0.006 0.000 2.327 60 V HA 0.261 4.381 4.120 0.000 0.000 0.272 60 V C -2.586 173.512 176.094 0.006 0.000 1.019 60 V CA -1.826 60.478 62.300 0.006 0.000 0.814 60 V CB 1.400 33.227 31.823 0.006 0.000 1.040 60 V HN -0.074 nan 8.190 nan 0.000 0.440 61 P HA 0.332 nan 4.420 nan 0.000 0.276 61 P C -2.482 174.822 177.300 0.007 0.000 1.253 61 P CA -1.198 61.906 63.100 0.007 0.000 0.766 61 P CB 0.047 31.752 31.700 0.007 0.000 0.845 62 P HA 0.043 nan 4.420 nan 0.000 0.269 62 P C 0.785 178.090 177.300 0.007 0.000 1.209 62 P CA -0.036 63.068 63.100 0.007 0.000 0.776 62 P CB 0.584 32.288 31.700 0.006 0.000 0.876 63 A N 3.280 126.105 122.820 0.007 0.000 1.883 63 A HA -0.242 4.079 4.320 0.000 0.000 0.217 63 A C 2.205 179.795 177.584 0.008 0.000 1.186 63 A CA 1.626 53.667 52.037 0.008 0.000 0.624 63 A CB -0.822 18.183 19.000 0.008 0.000 0.822 63 A HN 0.395 nan 8.150 nan 0.000 0.444 64 R N 0.193 120.698 120.500 0.008 0.000 2.091 64 R HA -0.129 4.211 4.340 0.000 0.000 0.238 64 R C 2.045 178.350 176.300 0.009 0.000 1.136 64 R CA 1.847 57.952 56.100 0.009 0.000 0.959 64 R CB -0.239 30.066 30.300 0.008 0.000 0.856 64 R HN 0.679 nan 8.270 nan 0.000 0.437 65 E N -0.553 119.652 120.200 0.008 0.000 2.158 65 E HA -0.159 4.191 4.350 0.000 0.000 0.191 65 E C 1.795 178.400 176.600 0.008 0.000 0.982 65 E CA 0.756 57.161 56.400 0.008 0.000 0.823 65 E CB -0.381 29.323 29.700 0.007 0.000 0.766 65 E HN 0.275 nan 8.360 nan 0.000 0.468 66 M N 2.088 121.693 119.600 0.008 0.000 2.099 66 M HA -0.113 4.367 4.480 0.000 0.000 0.262 66 M C 1.811 178.116 176.300 0.009 0.000 1.067 66 M CA 1.534 56.839 55.300 0.009 0.000 1.124 66 M CB -0.350 32.255 32.600 0.008 0.000 1.353 66 M HN -0.079 nan 8.290 nan 0.000 0.410 67 D N -0.263 120.142 120.400 0.010 0.000 2.133 67 D HA -0.267 4.373 4.640 0.000 0.000 0.192 67 D C 2.030 178.336 176.300 0.011 0.000 1.001 67 D CA 2.083 56.089 54.000 0.011 0.000 0.844 67 D CB -0.225 40.581 40.800 0.011 0.000 0.944 67 D HN 0.523 nan 8.370 nan 0.000 0.447 68 M N -0.073 119.534 119.600 0.011 0.000 2.099 68 M HA -0.192 4.288 4.480 0.000 0.000 0.262 68 M C 2.299 178.605 176.300 0.010 0.000 1.067 68 M CA 1.037 56.343 55.300 0.011 0.000 1.124 68 M CB -0.139 32.466 32.600 0.009 0.000 1.353 68 M HN 0.077 nan 8.290 nan 0.000 0.410 69 L N 1.076 122.305 121.223 0.010 0.000 1.971 69 L HA -0.227 4.113 4.340 0.000 0.000 0.215 69 L C 2.055 178.932 176.870 0.011 0.000 1.072 69 L CA 2.040 56.886 54.840 0.010 0.000 0.758 69 L CB -0.957 41.108 42.059 0.009 0.000 0.889 69 L HN 0.400 nan 8.230 nan 0.000 0.433 70 L N -1.448 119.782 121.223 0.012 0.000 2.109 70 L HA -0.165 4.175 4.340 0.000 0.000 0.207 70 L C 2.364 179.244 176.870 0.016 0.000 1.086 70 L CA 1.547 56.396 54.840 0.014 0.000 0.760 70 L CB -1.172 40.895 42.059 0.013 0.000 0.910 70 L HN 0.331 nan 8.230 nan 0.000 0.437 71 T N 0.525 115.089 114.554 0.016 0.000 2.635 71 T HA -0.262 4.088 4.350 0.000 0.000 0.267 71 T C 2.034 176.744 174.700 0.017 0.000 1.040 71 T CA 1.680 63.791 62.100 0.018 0.000 1.156 71 T CB -0.305 68.574 68.868 0.018 0.000 0.863 71 T HN 0.470 nan 8.240 nan 0.000 0.430 72 A N 1.324 124.153 122.820 0.014 0.000 1.940 72 A HA 0.031 4.352 4.320 0.000 0.000 0.219 72 A C 2.642 180.233 177.584 0.012 0.000 1.176 72 A CA 2.033 54.077 52.037 0.011 0.000 0.631 72 A CB -1.400 17.605 19.000 0.009 0.000 0.814 72 A HN 0.545 nan 8.150 nan 0.000 0.446 73 G N -0.671 108.137 108.800 0.013 0.000 2.408 73 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 73 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 73 G C 1.420 176.330 174.900 0.018 0.000 1.150 73 G CA 0.972 46.081 45.100 0.015 0.000 0.776 73 G HN 0.672 nan 8.290 nan 0.000 0.542 74 E N -0.086 120.127 120.200 0.021 0.000 2.152 74 E HA 0.023 4.373 4.350 0.000 0.000 0.192 74 E C 2.678 179.291 176.600 0.023 0.000 0.983 74 E CA 0.129 56.545 56.400 0.027 0.000 0.818 74 E CB -0.039 29.679 29.700 0.031 0.000 0.758 74 E HN 0.261 nan 8.360 nan 0.000 0.467 75 R N 0.540 121.051 120.500 0.018 0.000 2.148 75 R HA -0.061 4.279 4.340 0.000 0.000 0.227 75 R C 2.268 178.571 176.300 0.005 0.000 1.103 75 R CA 0.594 56.702 56.100 0.012 0.000 0.983 75 R CB -0.118 30.187 30.300 0.009 0.000 0.874 75 R HN 0.211 nan 8.270 nan 0.000 0.451 76 I N 0.977 121.551 120.570 0.006 0.000 2.118 76 I HA -0.310 3.860 4.170 0.000 0.000 0.241 76 I C 2.336 178.452 176.117 -0.001 0.000 1.070 76 I CA 1.894 63.195 61.300 0.001 0.000 1.327 76 I CB -1.045 36.957 38.000 0.004 0.000 1.034 76 I HN 0.197 nan 8.210 nan 0.000 0.405 77 S N 0.385 116.087 115.700 0.004 0.000 2.371 77 S HA -0.196 4.274 4.470 0.000 0.000 0.224 77 S C 1.721 176.318 174.600 -0.005 0.000 1.029 77 S CA 1.373 59.573 58.200 -0.001 0.000 0.978 77 S CB -1.118 62.089 63.200 0.011 0.000 0.833 77 S HN 0.522 nan 8.310 nan 0.000 0.466 78 N N 2.333 121.037 118.700 0.006 0.000 2.060 78 N HA -0.236 4.504 4.740 0.000 0.000 0.195 78 N C 1.904 177.407 175.510 -0.011 0.000 1.028 78 N CA 1.349 54.402 53.050 0.006 0.000 0.861 78 N CB -0.479 38.019 38.487 0.018 0.000 1.029 78 N HN 0.485 nan 8.380 nan 0.000 0.428 79 A N 0.961 123.773 122.820 -0.013 0.000 1.902 79 A HA -0.093 4.227 4.320 0.000 0.000 0.217 79 A C 2.279 179.847 177.584 -0.027 0.000 1.181 79 A CA 1.063 53.088 52.037 -0.022 0.000 0.623 79 A CB -0.772 18.217 19.000 -0.019 0.000 0.818 79 A HN 0.374 nan 8.150 nan 0.000 0.443 80 L N -0.713 120.494 121.223 -0.027 0.000 2.056 80 L HA -0.149 4.191 4.340 0.000 0.000 0.207 80 L C 2.550 179.390 176.870 -0.049 0.000 1.078 80 L CA 1.030 55.849 54.840 -0.035 0.000 0.749 80 L CB -0.564 41.476 42.059 -0.032 0.000 0.901 80 L HN 0.241 nan 8.230 nan 0.000 0.433 81 V N 0.155 120.036 119.914 -0.055 0.000 2.332 81 V HA -0.330 3.791 4.120 0.000 0.000 0.248 81 V C 2.774 178.831 176.094 -0.063 0.000 1.055 81 V CA 1.860 64.114 62.300 -0.078 0.000 1.038 81 V CB -0.888 30.884 31.823 -0.085 0.000 0.651 81 V HN 0.498 nan 8.190 nan 0.000 0.450 82 A N -0.543 122.251 122.820 -0.044 0.000 1.883 82 A HA -0.287 4.033 4.320 0.000 0.000 0.217 82 A C 2.236 179.796 177.584 -0.040 0.000 1.186 82 A CA 2.446 54.460 52.037 -0.039 0.000 0.624 82 A CB -0.522 18.457 19.000 -0.036 0.000 0.822 82 A HN 0.512 nan 8.150 nan 0.000 0.444 83 M N -0.671 118.905 119.600 -0.040 0.000 2.159 83 M HA -0.160 4.320 4.480 0.000 0.000 0.263 83 M C 2.499 178.774 176.300 -0.042 0.000 1.063 83 M CA 1.415 56.692 55.300 -0.037 0.000 1.110 83 M CB -0.422 32.157 32.600 -0.034 0.000 1.374 83 M HN 0.509 nan 8.290 nan 0.000 0.411 84 A N 0.636 123.425 122.820 -0.052 0.000 1.873 84 A HA -0.098 4.222 4.320 0.000 0.000 0.215 84 A C 2.060 179.609 177.584 -0.058 0.000 1.186 84 A CA 1.267 53.269 52.037 -0.060 0.000 0.616 84 A CB -0.789 18.163 19.000 -0.080 0.000 0.823 84 A HN 0.419 nan 8.150 nan 0.000 0.442 85 I N -0.343 120.192 120.570 -0.058 0.000 2.163 85 I HA -0.304 3.867 4.170 0.000 0.000 0.243 85 I C 2.494 178.589 176.117 -0.036 0.000 1.085 85 I CA 1.871 63.142 61.300 -0.048 0.000 1.347 85 I CB -0.428 37.547 38.000 -0.041 0.000 1.044 85 I HN 0.412 nan 8.210 nan 0.000 0.408 86 E N 0.419 120.599 120.200 -0.034 0.000 2.110 86 E HA -0.215 4.136 4.350 0.000 0.000 0.193 86 E C 2.232 178.816 176.600 -0.027 0.000 0.988 86 E CA 1.659 58.043 56.400 -0.028 0.000 0.804 86 E CB -0.116 29.568 29.700 -0.028 0.000 0.745 86 E HN 0.538 nan 8.360 nan 0.000 0.458 87 S N 0.209 115.891 115.700 -0.030 0.000 2.419 87 S HA -0.105 4.365 4.470 0.000 0.000 0.233 87 S C 1.631 176.215 174.600 -0.027 0.000 1.016 87 S CA 0.680 58.863 58.200 -0.028 0.000 0.974 87 S CB 0.034 63.215 63.200 -0.032 0.000 0.786 87 S HN 0.089 nan 8.310 nan 0.000 0.492 88 L N 0.937 122.142 121.223 -0.030 0.000 2.607 88 L HA 0.466 4.806 4.340 0.000 0.000 0.228 88 L C 1.856 178.713 176.870 -0.022 0.000 1.123 88 L CA 0.767 55.590 54.840 -0.028 0.000 0.890 88 L CB -0.246 41.791 42.059 -0.036 0.000 1.103 88 L HN 0.613 nan 8.230 nan 0.000 0.468 89 G N -1.395 107.394 108.800 -0.020 0.000 2.307 89 G HA2 -0.196 3.764 3.960 0.000 0.000 0.210 89 G HA3 -0.196 3.764 3.960 0.000 0.000 0.210 89 G C 0.666 175.558 174.900 -0.012 0.000 1.005 89 G CA 0.074 45.166 45.100 -0.014 0.000 0.634 89 G HN 0.615 nan 8.290 nan 0.000 0.496 90 A N 0.671 123.484 122.820 -0.013 0.000 2.296 90 A HA 0.648 4.969 4.320 0.000 0.000 0.264 90 A C 0.444 178.022 177.584 -0.010 0.000 1.097 90 A CA 0.705 52.738 52.037 -0.008 0.000 0.811 90 A CB 0.207 19.204 19.000 -0.006 0.000 1.072 90 A HN 1.086 nan 8.150 nan 0.000 0.495 91 E N -0.183 120.014 120.200 -0.005 0.000 2.222 91 E HA 0.644 4.995 4.350 0.000 0.000 0.267 91 E C -0.844 175.752 176.600 -0.006 0.000 0.884 91 E CA -0.820 55.575 56.400 -0.009 0.000 0.764 91 E CB 1.854 31.549 29.700 -0.008 0.000 1.169 91 E HN 0.695 nan 8.360 nan 0.000 0.413 92 A N 2.767 125.577 122.820 -0.017 0.000 2.331 92 A HA 0.385 4.705 4.320 0.000 0.000 0.320 92 A C -0.823 176.736 177.584 -0.043 0.000 1.138 92 A CA -0.771 51.257 52.037 -0.015 0.000 0.790 92 A CB 1.647 20.636 19.000 -0.019 0.000 1.206 92 A HN 0.537 nan 8.150 nan 0.000 0.470 93 Q N 1.533 121.310 119.800 -0.038 0.000 2.348 93 Q HA 0.521 4.861 4.340 0.000 0.000 0.265 93 Q C -0.820 175.023 176.000 -0.260 0.000 0.998 93 Q CA 0.088 55.795 55.803 -0.161 0.000 0.831 93 Q CB 1.207 29.879 28.738 -0.109 0.000 1.251 93 Q HN 0.602 nan 8.270 nan 0.000 0.456 94 S N 4.155 119.646 115.700 -0.350 0.000 2.513 94 S HA 0.620 5.091 4.470 0.000 0.000 0.276 94 S C -0.885 173.410 174.600 -0.508 0.000 1.254 94 S CA -0.190 57.849 58.200 -0.268 0.000 1.053 94 S CB 0.159 63.269 63.200 -0.150 0.000 0.958 94 S HN 0.488 nan 8.310 nan 0.000 0.491 95 F N 0.516 120.471 119.950 0.007 0.000 2.611 95 F HA 0.638 5.165 4.527 0.000 0.000 0.324 95 F C 0.774 176.578 175.800 0.007 0.000 1.061 95 F CA -0.667 57.337 58.000 0.006 0.000 0.954 95 F CB 2.051 41.055 39.000 0.007 0.000 1.301 95 F HN 0.415 nan 8.300 nan 0.000 0.482 116 V N 2.081 122.078 119.914 0.138 0.000 2.583 116 V HA 0.210 4.330 4.120 0.000 0.000 0.302 116 V C 0.287 176.315 176.094 -0.110 0.000 1.033 116 V CA 1.451 63.703 62.300 -0.080 0.000 1.194 116 V CB 0.600 32.388 31.823 -0.059 0.000 0.879 116 V HN 0.249 nan 8.190 nan 0.000 0.482 117 T N 7.422 121.849 114.554 -0.211 0.000 3.097 117 T HA 0.391 4.742 4.350 0.000 0.000 0.332 117 T C -1.967 172.627 174.700 -0.177 0.000 1.269 117 T CA -0.769 61.250 62.100 -0.136 0.000 1.076 117 T CB 2.114 70.944 68.868 -0.063 0.000 1.209 117 T HN 0.444 nan 8.240 nan 0.000 0.474 118 P HA -0.026 nan 4.420 nan 0.000 0.218 118 P C 1.354 178.591 177.300 -0.105 0.000 1.146 118 P CA 1.088 64.114 63.100 -0.123 0.000 0.813 118 P CB -0.007 31.640 31.700 -0.087 0.000 0.778 119 G N 0.523 109.274 108.800 -0.083 0.000 2.425 119 G HA2 -0.178 3.782 3.960 0.000 0.000 0.213 119 G HA3 -0.178 3.782 3.960 0.000 0.000 0.213 119 G C 1.763 176.628 174.900 -0.057 0.000 1.201 119 G CA 0.298 45.366 45.100 -0.054 0.000 0.799 119 G HN 0.156 nan 8.290 nan 0.000 0.534 120 R N -0.185 120.275 120.500 -0.066 0.000 2.133 120 R HA -0.109 4.231 4.340 0.000 0.000 0.247 120 R C 2.604 178.859 176.300 -0.076 0.000 1.151 120 R CA 1.380 57.468 56.100 -0.021 0.000 0.971 120 R CB -0.516 29.797 30.300 0.023 0.000 0.866 120 R HN 0.319 nan 8.270 nan 0.000 0.447 121 V N 0.548 120.278 119.914 -0.306 0.000 2.270 121 V HA -0.208 3.913 4.120 0.000 0.000 0.245 121 V C 2.364 178.417 176.094 -0.067 0.000 1.043 121 V CA 1.496 63.623 62.300 -0.288 0.000 1.014 121 V CB -0.443 31.164 31.823 -0.361 0.000 0.645 121 V HN 0.225 nan 8.190 nan 0.000 0.447 122 R N 0.104 120.565 120.500 -0.065 0.000 2.103 122 R HA -0.203 4.138 4.340 0.000 0.000 0.242 122 R C 2.244 178.549 176.300 0.009 0.000 1.142 122 R CA 1.810 57.897 56.100 -0.022 0.000 0.960 122 R CB -0.703 29.582 30.300 -0.026 0.000 0.858 122 R HN 0.710 nan 8.270 nan 0.000 0.439 123 E N -0.067 120.145 120.200 0.020 0.000 2.051 123 E HA -0.143 4.207 4.350 0.000 0.000 0.192 123 E C 1.783 178.422 176.600 0.065 0.000 0.991 123 E CA 1.252 57.677 56.400 0.042 0.000 0.799 123 E CB -0.013 29.718 29.700 0.051 0.000 0.748 123 E HN 0.314 nan 8.360 nan 0.000 0.449 124 A N 0.612 123.497 122.820 0.108 0.000 1.930 124 A HA -0.141 4.180 4.320 0.000 0.000 0.217 124 A C 2.033 179.669 177.584 0.087 0.000 1.175 124 A CA 0.862 52.976 52.037 0.129 0.000 0.627 124 A CB -0.402 18.750 19.000 0.254 0.000 0.815 124 A HN 0.259 nan 8.150 nan 0.000 0.443 125 L N 0.895 122.159 121.223 0.069 0.000 1.994 125 L HA -0.167 4.173 4.340 0.000 0.000 0.208 125 L C 2.101 178.992 176.870 0.036 0.000 1.071 125 L CA 2.572 57.441 54.840 0.048 0.000 0.745 125 L CB -1.124 40.953 42.059 0.030 0.000 0.892 125 L HN 0.737 nan 8.230 nan 0.000 0.431 126 D N -2.023 118.395 120.400 0.030 0.000 2.317 126 D HA -0.154 4.486 4.640 0.000 0.000 0.211 126 D C 1.629 177.944 176.300 0.024 0.000 0.966 126 D CA 0.546 54.560 54.000 0.023 0.000 0.876 126 D CB -0.385 40.426 40.800 0.017 0.000 0.927 126 D HN 0.364 nan 8.370 nan 0.000 0.519 127 E N -0.213 120.005 120.200 0.030 0.000 2.472 127 E HA 0.053 4.403 4.350 0.000 0.000 0.200 127 E C 1.158 177.773 176.600 0.025 0.000 1.046 127 E CA 0.510 56.927 56.400 0.027 0.000 0.871 127 E CB -0.129 29.590 29.700 0.033 0.000 0.806 127 E HN 0.546 nan 8.360 nan 0.000 0.533 128 G N 1.532 110.349 108.800 0.028 0.000 2.141 128 G HA2 -0.244 3.716 3.960 0.000 0.000 0.231 128 G HA3 -0.244 3.716 3.960 0.000 0.000 0.231 128 G C -0.028 174.889 174.900 0.029 0.000 0.984 128 G CA -0.147 44.968 45.100 0.025 0.000 0.660 128 G HN 0.096 nan 8.290 nan 0.000 0.525 129 K N -0.115 120.309 120.400 0.039 0.000 2.130 129 K HA 0.616 4.936 4.320 0.000 0.000 0.268 129 K C 0.069 176.704 176.600 0.058 0.000 0.983 129 K CA -0.831 55.482 56.287 0.043 0.000 0.893 129 K CB 1.653 34.183 32.500 0.049 0.000 1.066 129 K HN 0.129 nan 8.250 nan 0.000 0.450 130 I N 1.955 122.554 120.570 0.049 0.000 2.441 130 I HA 0.009 4.179 4.170 0.000 0.000 0.287 130 I C -0.171 175.999 176.117 0.090 0.000 1.049 130 I CA -0.093 61.244 61.300 0.062 0.000 1.381 130 I CB 0.655 38.681 38.000 0.043 0.000 1.409 130 I HN 0.511 nan 8.210 nan 0.000 0.523 131 C N 7.278 126.655 119.300 0.128 0.000 2.273 131 C HA 0.574 5.034 4.460 0.000 0.000 0.328 131 C C 0.000 175.101 174.990 0.184 0.000 1.275 131 C CA -0.564 58.583 59.018 0.215 0.000 1.704 131 C CB 0.217 28.110 27.740 0.255 0.000 2.326 131 C HN 0.557 nan 8.230 nan 0.000 0.517 132 I N 5.094 125.776 120.570 0.186 0.000 2.389 132 I HA 0.706 4.876 4.170 0.000 0.000 0.288 132 I C -0.385 175.847 176.117 0.191 0.000 0.999 132 I CA -0.059 61.327 61.300 0.142 0.000 1.129 132 I CB 1.224 39.267 38.000 0.072 0.000 1.288 132 I HN 0.492 nan 8.210 nan 0.000 0.444 133 V N 7.476 127.488 119.914 0.164 0.000 2.823 133 V HA 1.020 5.141 4.120 0.000 0.000 0.312 133 V C -0.697 175.458 176.094 0.102 0.000 1.072 133 V CA 0.299 62.697 62.300 0.164 0.000 0.937 133 V CB 1.454 33.359 31.823 0.137 0.000 1.013 133 V HN 1.093 nan 8.190 nan 0.000 0.430 152 G N 1.681 110.464 108.800 -0.029 0.000 2.351 152 G HA2 0.444 4.404 3.960 0.000 0.000 0.287 152 G HA3 0.444 4.404 3.960 0.000 0.000 0.287 152 G C 0.370 175.247 174.900 -0.038 0.000 1.159 152 G CA 0.102 45.169 45.100 -0.055 0.000 0.929 152 G HN 0.697 nan 8.290 nan 0.000 0.435 153 G N 1.420 110.197 108.800 -0.039 0.000 2.684 153 G HA2 0.300 4.260 3.960 0.000 0.000 0.255 153 G HA3 0.300 4.260 3.960 0.000 0.000 0.255 153 G C 1.364 176.255 174.900 -0.016 0.000 1.219 153 G CA 0.349 45.438 45.100 -0.019 0.000 0.901 153 G HN 0.692 nan 8.290 nan 0.000 0.548 154 S N 0.061 115.764 115.700 0.004 0.000 2.374 154 S HA -0.175 4.295 4.470 0.000 0.000 0.227 154 S C 1.708 176.311 174.600 0.005 0.000 1.037 154 S CA 1.637 59.847 58.200 0.015 0.000 1.024 154 S CB -0.298 62.924 63.200 0.036 0.000 0.861 154 S HN 0.644 nan 8.310 nan 0.000 0.456 155 D N 1.738 122.137 120.400 -0.002 0.000 2.092 155 D HA -0.112 4.528 4.640 0.000 0.000 0.193 155 D C 2.502 178.787 176.300 -0.026 0.000 0.994 155 D CA 2.088 56.084 54.000 -0.008 0.000 0.828 155 D CB -0.739 40.057 40.800 -0.007 0.000 0.963 155 D HN 0.665 nan 8.370 nan 0.000 0.450 156 T N -1.421 113.095 114.554 -0.064 0.000 2.821 156 T HA -0.156 4.195 4.350 0.000 0.000 0.267 156 T C 2.090 176.743 174.700 -0.077 0.000 1.046 156 T CA 2.055 64.080 62.100 -0.125 0.000 1.139 156 T CB -0.712 68.011 68.868 -0.240 0.000 0.871 156 T HN 0.098 nan 8.240 nan 0.000 0.454 157 T N 1.033 115.560 114.554 -0.046 0.000 2.867 157 T HA 0.114 4.464 4.350 0.000 0.000 0.268 157 T C 2.235 176.931 174.700 -0.008 0.000 1.057 157 T CA 1.469 63.557 62.100 -0.021 0.000 1.136 157 T CB -0.846 68.019 68.868 -0.006 0.000 0.874 157 T HN 0.537 nan 8.240 nan 0.000 0.466 158 A N 0.772 123.592 122.820 -0.000 0.000 1.858 158 A HA 0.028 4.348 4.320 0.000 0.000 0.216 158 A C 2.624 180.211 177.584 0.006 0.000 1.190 158 A CA 1.981 54.022 52.037 0.007 0.000 0.617 158 A CB -1.090 17.916 19.000 0.010 0.000 0.827 158 A HN 0.461 nan 8.150 nan 0.000 0.443 159 V N -0.124 119.800 119.914 0.017 0.000 2.427 159 V HA -0.204 3.916 4.120 0.000 0.000 0.248 159 V C 3.015 179.121 176.094 0.019 0.000 1.051 159 V CA 1.757 64.084 62.300 0.046 0.000 1.048 159 V CB -1.267 30.617 31.823 0.101 0.000 0.666 159 V HN 0.613 nan 8.190 nan 0.000 0.456 160 A N -0.254 122.573 122.820 0.012 0.000 1.978 160 A HA -0.135 4.185 4.320 0.000 0.000 0.220 160 A C 2.191 179.718 177.584 -0.095 0.000 1.170 160 A CA 1.493 53.506 52.037 -0.040 0.000 0.636 160 A CB -0.394 18.610 19.000 0.006 0.000 0.810 160 A HN 0.402 nan 8.150 nan 0.000 0.448 161 L N -0.961 120.227 121.223 -0.058 0.000 2.072 161 L HA -0.101 4.239 4.340 0.000 0.000 0.205 161 L C 3.064 179.895 176.870 -0.065 0.000 1.079 161 L CA 1.794 56.596 54.840 -0.063 0.000 0.752 161 L CB -1.631 40.406 42.059 -0.036 0.000 0.906 161 L HN 0.457 nan 8.230 nan 0.000 0.436 162 A N 0.093 122.888 122.820 -0.041 0.000 1.917 162 A HA -0.226 4.094 4.320 0.000 0.000 0.219 162 A C 2.506 180.052 177.584 -0.063 0.000 1.182 162 A CA 2.088 54.108 52.037 -0.028 0.000 0.633 162 A CB -0.573 18.431 19.000 0.007 0.000 0.819 162 A HN 0.434 nan 8.150 nan 0.000 0.448 163 A N -0.264 122.475 122.820 -0.134 0.000 1.832 163 A HA 0.220 4.541 4.320 0.000 0.000 0.214 163 A C 2.533 179.989 177.584 -0.212 0.000 1.200 163 A CA 2.080 53.966 52.037 -0.252 0.000 0.610 163 A CB -1.259 17.353 19.000 -0.646 0.000 0.842 163 A HN 1.213 nan 8.150 nan 0.000 0.444 164 A N -1.649 121.045 122.820 -0.210 0.000 2.076 164 A HA 0.137 4.457 4.320 0.000 0.000 0.220 164 A C 0.513 178.036 177.584 -0.102 0.000 1.160 164 A CA 1.040 52.986 52.037 -0.152 0.000 0.653 164 A CB -0.290 18.629 19.000 -0.135 0.000 0.801 164 A HN 0.347 nan 8.150 nan 0.000 0.455 165 L N 0.238 121.409 121.223 -0.087 0.000 2.408 165 L HA 0.283 4.623 4.340 0.000 0.000 0.257 165 L C -0.071 176.774 176.870 -0.041 0.000 1.053 165 L CA -1.111 53.694 54.840 -0.060 0.000 0.922 165 L CB -0.257 41.767 42.059 -0.058 0.000 1.261 165 L HN 0.289 nan 8.230 nan 0.000 0.458 166 N N 2.558 121.238 118.700 -0.033 0.000 1.998 166 N HA -0.067 4.673 4.740 0.000 0.000 0.276 166 N C 0.169 175.677 175.510 -0.002 0.000 1.364 166 N CA 0.520 53.563 53.050 -0.013 0.000 1.034 166 N CB 0.264 38.749 38.487 -0.004 0.000 1.454 166 N HN 0.658 nan 8.380 nan 0.000 0.476 167 A N 2.825 125.646 122.820 0.001 0.000 2.316 167 A HA 0.262 4.582 4.320 0.000 0.000 0.284 167 A C 0.741 178.339 177.584 0.022 0.000 1.115 167 A CA -0.649 51.394 52.037 0.010 0.000 0.812 167 A CB 0.604 19.609 19.000 0.008 0.000 1.064 167 A HN 0.690 nan 8.150 nan 0.000 0.489 168 D N -0.513 119.900 120.400 0.021 0.000 2.249 168 D HA 0.203 4.843 4.640 0.000 0.000 0.205 168 D C 0.454 176.769 176.300 0.024 0.000 0.962 168 D CA 1.920 55.934 54.000 0.023 0.000 0.860 168 D CB 0.077 40.889 40.800 0.019 0.000 0.955 168 D HN 0.549 nan 8.370 nan 0.000 0.505 169 V N -3.339 116.588 119.914 0.021 0.000 3.225 169 V HA 0.442 4.562 4.120 0.000 0.000 0.293 169 V C -1.514 174.586 176.094 0.011 0.000 1.405 169 V CA -1.519 60.789 62.300 0.015 0.000 1.038 169 V CB 1.892 33.713 31.823 -0.004 0.000 1.123 169 V HN -0.040 nan 8.190 nan 0.000 0.447 170 C N 2.212 121.514 119.300 0.003 0.000 2.386 170 C HA 0.612 5.072 4.460 0.000 0.000 0.318 170 C C -0.049 174.907 174.990 -0.056 0.000 1.128 170 C CA -0.023 58.991 59.018 -0.007 0.000 1.438 170 C CB -0.426 27.326 27.740 0.018 0.000 1.987 170 C HN 1.009 nan 8.230 nan 0.000 0.426 171 E N 4.217 124.361 120.200 -0.095 0.000 2.229 171 E HA 0.364 4.714 4.350 0.000 0.000 0.283 171 E C -0.790 175.628 176.600 -0.303 0.000 1.030 171 E CA -0.242 56.014 56.400 -0.241 0.000 0.836 171 E CB 1.264 30.790 29.700 -0.289 0.000 1.068 171 E HN 0.549 nan 8.360 nan 0.000 0.401 172 I N 3.596 123.962 120.570 -0.340 0.000 2.330 172 I HA 0.163 4.334 4.170 0.000 0.000 0.289 172 I C -0.887 175.027 176.117 -0.339 0.000 1.001 172 I CA -0.372 60.779 61.300 -0.248 0.000 1.193 172 I CB 0.300 38.231 38.000 -0.114 0.000 1.345 172 I HN 0.388 nan 8.210 nan 0.000 0.461 173 Y N 4.868 125.072 120.300 -0.161 0.000 2.342 173 Y HA 0.699 5.249 4.550 0.000 0.000 0.334 173 Y C 0.737 176.660 175.900 0.039 0.000 1.067 173 Y CA -0.109 57.945 58.100 -0.076 0.000 1.128 173 Y CB 1.885 40.239 38.460 -0.177 0.000 1.200 173 Y HN 0.668 nan 8.280 nan 0.000 0.464 174 S N -0.112 115.743 115.700 0.259 0.000 2.873 174 S HA 0.208 4.678 4.470 0.000 0.000 0.303 174 S C -0.564 174.208 174.600 0.288 0.000 1.222 174 S CA -0.576 57.764 58.200 0.234 0.000 0.923 174 S CB 0.842 64.123 63.200 0.135 0.000 1.286 174 S HN 0.598 nan 8.310 nan 0.000 0.571 175 D N 1.025 121.541 120.400 0.194 0.000 2.352 175 D HA 0.219 4.859 4.640 0.000 0.000 0.236 175 D C 0.716 177.022 176.300 0.011 0.000 1.148 175 D CA 0.069 54.110 54.000 0.069 0.000 0.844 175 D CB -0.573 40.158 40.800 -0.116 0.000 0.933 175 D HN 0.804 nan 8.370 nan 0.000 0.507 176 V N -3.665 116.305 119.914 0.092 0.000 2.876 176 V HA 0.400 4.520 4.120 0.000 0.000 0.312 176 V C 0.127 176.316 176.094 0.158 0.000 1.085 176 V CA -0.934 61.418 62.300 0.087 0.000 0.945 176 V CB 2.037 33.895 31.823 0.057 0.000 1.017 176 V HN -0.310 nan 8.190 nan 0.000 0.428 177 D N 1.945 122.475 120.400 0.218 0.000 2.224 177 D HA 0.398 5.038 4.640 0.000 0.000 0.205 177 D C 0.978 177.364 176.300 0.144 0.000 0.965 177 D CA 2.278 56.400 54.000 0.203 0.000 0.852 177 D CB 0.221 41.166 40.800 0.241 0.000 0.947 177 D HN 1.178 nan 8.370 nan 0.000 0.494 178 G N -1.143 107.786 108.800 0.215 0.000 2.356 178 G HA2 0.343 4.303 3.960 0.000 0.000 0.281 178 G HA3 0.343 4.303 3.960 0.000 0.000 0.281 178 G C -1.446 173.557 174.900 0.173 0.000 1.246 178 G CA -0.296 44.855 45.100 0.084 0.000 0.889 178 G HN 0.277 nan 8.290 nan 0.000 0.486 179 V N -1.529 118.419 119.914 0.056 0.000 2.481 179 V HA 0.842 4.963 4.120 0.000 0.000 0.286 179 V C -0.805 175.330 176.094 0.069 0.000 1.042 179 V CA -0.881 61.488 62.300 0.115 0.000 0.928 179 V CB 0.821 32.666 31.823 0.037 0.000 0.986 179 V HN 0.669 nan 8.190 nan 0.000 0.462 180 Y N 2.011 122.323 120.300 0.020 0.000 2.509 180 Y HA 0.438 4.989 4.550 0.001 0.000 0.341 180 Y C 1.973 177.907 175.900 0.058 0.000 1.038 180 Y CA -0.126 57.998 58.100 0.039 0.000 1.089 180 Y CB 2.583 41.069 38.460 0.044 0.000 1.241 180 Y HN 0.876 nan 8.280 nan 0.000 0.468 181 T N -0.637 114.044 114.554 0.212 0.000 2.737 181 T HA 0.045 4.395 4.350 0.000 0.000 0.269 181 T C 0.524 175.372 174.700 0.246 0.000 1.040 181 T CA 1.191 63.390 62.100 0.164 0.000 1.142 181 T CB -0.166 68.785 68.868 0.138 0.000 0.861 181 T HN 0.663 nan 8.240 nan 0.000 0.456 182 A N 0.573 123.598 122.820 0.342 0.000 2.594 182 A HA 0.505 4.825 4.320 0.000 0.000 0.296 182 A C -1.378 176.289 177.584 0.140 0.000 1.061 182 A CA -0.823 51.367 52.037 0.254 0.000 0.689 182 A CB 1.002 20.220 19.000 0.364 0.000 1.280 182 A HN 0.130 nan 8.150 nan 0.000 0.406 183 D N 2.731 123.169 120.400 0.063 0.000 2.455 183 D HA 0.105 4.745 4.640 0.000 0.000 0.265 183 D C -0.973 175.290 176.300 -0.062 0.000 1.284 183 D CA -0.821 53.166 54.000 -0.022 0.000 0.944 183 D CB 0.824 41.613 40.800 -0.019 0.000 1.121 183 D HN 0.194 nan 8.370 nan 0.000 0.525 184 P HA -0.090 nan 4.420 nan 0.000 0.233 184 P C 1.112 178.348 177.300 -0.107 0.000 1.167 184 P CA 0.516 63.544 63.100 -0.120 0.000 0.770 184 P CB 0.288 31.882 31.700 -0.177 0.000 0.837 185 R N -0.553 119.883 120.500 -0.106 0.000 2.127 185 R HA -0.093 4.247 4.340 0.000 0.000 0.238 185 R C 1.986 178.247 176.300 -0.064 0.000 1.134 185 R CA 1.288 57.340 56.100 -0.080 0.000 0.975 185 R CB -0.606 29.649 30.300 -0.074 0.000 0.865 185 R HN 0.276 nan 8.270 nan 0.000 0.447 186 I N -0.523 120.010 120.570 -0.061 0.000 2.685 186 I HA -0.058 4.112 4.170 0.000 0.000 0.251 186 I C 0.461 176.535 176.117 -0.073 0.000 1.102 186 I CA 0.506 61.774 61.300 -0.054 0.000 1.442 186 I CB 0.111 38.088 38.000 -0.037 0.000 1.194 186 I HN -0.235 nan 8.210 nan 0.000 0.448 187 V N 3.400 123.254 119.914 -0.099 0.000 2.368 187 V HA 0.156 4.276 4.120 0.000 0.000 0.266 187 V C -1.572 174.414 176.094 -0.181 0.000 1.045 187 V CA -0.986 61.210 62.300 -0.174 0.000 0.899 187 V CB 0.666 32.310 31.823 -0.299 0.000 1.006 187 V HN 0.114 nan 8.190 nan 0.000 0.470 188 P HA -0.078 nan 4.420 nan 0.000 0.216 188 P C 1.101 178.345 177.300 -0.094 0.000 1.153 188 P CA 0.928 63.971 63.100 -0.095 0.000 0.844 188 P CB 0.015 31.675 31.700 -0.066 0.000 0.787 189 N N 0.010 118.631 118.700 -0.131 0.000 2.567 189 N HA 0.026 4.766 4.740 0.000 0.000 0.195 189 N C 0.435 175.915 175.510 -0.050 0.000 1.242 189 N CA 0.104 53.111 53.050 -0.071 0.000 0.884 189 N CB -1.009 37.467 38.487 -0.018 0.000 1.007 189 N HN 0.028 nan 8.380 nan 0.000 0.450 190 A N 0.139 122.877 122.820 -0.137 0.000 2.507 190 A HA 0.166 4.486 4.320 0.000 0.000 0.235 190 A C 0.255 177.974 177.584 0.225 0.000 1.070 190 A CA 0.028 52.099 52.037 0.056 0.000 0.768 190 A CB 0.207 19.231 19.000 0.039 0.000 1.011 190 A HN 0.486 nan 8.150 nan 0.000 0.502 191 Q N 0.508 120.496 119.800 0.312 0.000 2.340 191 Q HA 0.323 4.663 4.340 0.000 0.000 0.276 191 Q C -1.058 174.904 176.000 -0.063 0.000 1.048 191 Q CA -0.793 55.108 55.803 0.164 0.000 0.832 191 Q CB 1.558 30.360 28.738 0.106 0.000 1.373 191 Q HN 0.762 nan 8.270 nan 0.000 0.409 192 K N 3.784 123.921 120.400 -0.439 0.000 2.339 192 K HA 0.144 4.464 4.320 0.000 0.000 0.286 192 K C -0.511 175.836 176.600 -0.421 0.000 1.050 192 K CA -0.384 55.315 56.287 -0.979 0.000 0.956 192 K CB 0.387 32.342 32.500 -0.908 0.000 0.990 192 K HN 0.466 nan 8.250 nan 0.000 0.475 193 L N 3.558 124.577 121.223 -0.341 0.000 2.473 193 L HA 0.032 4.372 4.340 0.000 0.000 0.268 193 L C 1.683 178.454 176.870 -0.164 0.000 1.215 193 L CA 0.768 55.499 54.840 -0.181 0.000 0.823 193 L CB 0.558 42.542 42.059 -0.124 0.000 1.099 193 L HN 0.806 nan 8.230 nan 0.000 0.483 194 E N 0.535 120.666 120.200 -0.116 0.000 2.244 194 E HA 0.091 4.442 4.350 0.000 0.000 0.196 194 E C 0.103 176.647 176.600 -0.093 0.000 0.939 194 E CA 0.291 56.633 56.400 -0.097 0.000 0.884 194 E CB 0.636 30.291 29.700 -0.075 0.000 0.850 194 E HN 0.516 nan 8.360 nan 0.000 0.481 195 K N 0.161 120.506 120.400 -0.091 0.000 2.568 195 K HA 0.403 4.723 4.320 0.000 0.000 0.273 195 K C -1.846 174.696 176.600 -0.096 0.000 0.951 195 K CA -0.750 55.479 56.287 -0.097 0.000 0.854 195 K CB 1.378 33.827 32.500 -0.085 0.000 1.424 195 K HN 0.118 nan 8.250 nan 0.000 0.427 196 L N -1.098 120.056 121.223 -0.116 0.000 2.838 196 L HA 0.591 4.931 4.340 0.000 0.000 0.266 196 L C -0.659 176.124 176.870 -0.145 0.000 1.040 196 L CA -1.024 53.753 54.840 -0.105 0.000 0.906 196 L CB 1.615 43.625 42.059 -0.081 0.000 1.501 196 L HN 0.685 nan 8.230 nan 0.000 0.407 197 S N -0.554 115.083 115.700 -0.105 0.000 2.632 197 S HA 0.461 4.931 4.470 0.000 0.000 0.267 197 S C 0.771 175.316 174.600 -0.093 0.000 1.276 197 S CA -0.477 57.660 58.200 -0.104 0.000 0.998 197 S CB 0.602 63.792 63.200 -0.016 0.000 0.953 197 S HN 0.548 nan 8.310 nan 0.000 0.547 198 F N 1.851 121.797 119.950 -0.008 0.000 2.120 198 F HA -0.127 4.400 4.527 0.000 0.000 0.300 198 F C 2.717 178.516 175.800 -0.001 0.000 1.095 198 F CA 2.015 60.015 58.000 -0.001 0.000 1.249 198 F CB -0.385 38.615 39.000 0.001 0.000 0.995 198 F HN 0.740 nan 8.300 nan 0.000 0.480 199 E N 0.075 120.383 120.200 0.179 0.000 2.250 199 E HA -0.115 4.236 4.350 0.000 0.000 0.192 199 E C 1.750 178.381 176.600 0.051 0.000 0.986 199 E CA 0.801 57.260 56.400 0.098 0.000 0.849 199 E CB -0.734 29.006 29.700 0.066 0.000 0.797 199 E HN 0.485 nan 8.360 nan 0.000 0.482 200 E N 0.517 120.735 120.200 0.031 0.000 2.085 200 E HA -0.170 4.180 4.350 0.000 0.000 0.194 200 E C 1.951 178.558 176.600 0.011 0.000 0.994 200 E CA 1.558 57.961 56.400 0.005 0.000 0.801 200 E CB -0.135 29.555 29.700 -0.016 0.000 0.743 200 E HN 0.114 nan 8.360 nan 0.000 0.453 201 M N 0.412 120.022 119.600 0.016 0.000 2.175 201 M HA -0.108 4.372 4.480 0.000 0.000 0.264 201 M C 1.769 178.095 176.300 0.043 0.000 1.063 201 M CA 1.068 56.381 55.300 0.023 0.000 1.119 201 M CB -0.040 32.568 32.600 0.014 0.000 1.377 201 M HN 0.051 nan 8.290 nan 0.000 0.415 202 L N 0.169 121.430 121.223 0.063 0.000 2.013 202 L HA -0.224 4.116 4.340 0.000 0.000 0.212 202 L C 2.402 179.295 176.870 0.039 0.000 1.073 202 L CA 1.927 56.802 54.840 0.059 0.000 0.753 202 L CB -1.712 40.386 42.059 0.064 0.000 0.890 202 L HN 0.345 nan 8.230 nan 0.000 0.432 203 E N -0.307 119.911 120.200 0.030 0.000 2.031 203 E HA -0.173 4.177 4.350 0.000 0.000 0.193 203 E C 2.369 178.981 176.600 0.021 0.000 0.994 203 E CA 1.105 57.516 56.400 0.019 0.000 0.800 203 E CB -0.305 29.399 29.700 0.007 0.000 0.752 203 E HN 0.363 nan 8.360 nan 0.000 0.447 204 L N -0.178 121.059 121.223 0.023 0.000 2.012 204 L HA -0.218 4.122 4.340 0.000 0.000 0.210 204 L C 2.439 179.329 176.870 0.033 0.000 1.073 204 L CA 1.286 56.144 54.840 0.030 0.000 0.748 204 L CB -0.598 41.479 42.059 0.031 0.000 0.891 204 L HN 0.186 nan 8.230 nan 0.000 0.431 205 A N -0.082 122.758 122.820 0.033 0.000 1.940 205 A HA -0.195 4.125 4.320 0.000 0.000 0.219 205 A C 2.436 180.039 177.584 0.032 0.000 1.176 205 A CA 1.780 53.837 52.037 0.034 0.000 0.631 205 A CB -0.654 18.369 19.000 0.038 0.000 0.814 205 A HN 0.436 nan 8.150 nan 0.000 0.446 206 A N -1.335 121.504 122.820 0.030 0.000 2.119 206 A HA 0.232 4.552 4.320 0.000 0.000 0.217 206 A C 1.773 179.373 177.584 0.028 0.000 1.153 206 A CA 1.618 53.672 52.037 0.027 0.000 0.692 206 A CB -0.167 18.847 19.000 0.024 0.000 0.799 206 A HN 0.456 nan 8.150 nan 0.000 0.458 207 V N -2.841 117.091 119.914 0.030 0.000 3.562 207 V HA 0.368 4.488 4.120 0.000 0.000 0.270 207 V C 1.584 177.699 176.094 0.036 0.000 1.418 207 V CA 0.975 63.294 62.300 0.032 0.000 1.033 207 V CB 0.709 32.551 31.823 0.032 0.000 0.820 207 V HN 0.624 nan 8.190 nan 0.000 0.441 208 G N -1.116 107.706 108.800 0.036 0.000 4.234 208 G HA2 -0.036 3.924 3.960 0.000 0.000 0.206 208 G HA3 -0.036 3.924 3.960 0.000 0.000 0.206 208 G C 0.386 175.307 174.900 0.035 0.000 1.204 208 G CA 0.619 45.741 45.100 0.037 0.000 0.998 208 G HN 0.148 nan 8.290 nan 0.000 0.417 209 S N 0.963 116.686 115.700 0.038 0.000 2.509 209 S HA 0.309 4.779 4.470 0.000 0.000 0.287 209 S C 0.700 175.319 174.600 0.033 0.000 1.248 209 S CA 0.154 58.377 58.200 0.038 0.000 1.089 209 S CB 0.844 64.069 63.200 0.042 0.000 0.900 209 S HN 0.299 nan 8.310 nan 0.000 0.496 210 K N 5.379 125.797 120.400 0.030 0.000 2.570 210 K HA 0.395 4.715 4.320 0.000 0.000 0.210 210 K C 1.033 177.650 176.600 0.029 0.000 1.048 210 K CA 0.105 56.408 56.287 0.028 0.000 1.167 210 K CB -0.316 32.199 32.500 0.025 0.000 0.892 210 K HN 0.705 nan 8.250 nan 0.000 0.480 211 I N -0.042 120.547 120.570 0.032 0.000 2.233 211 I HA -0.128 4.043 4.170 0.000 0.000 0.243 211 I C 0.454 176.587 176.117 0.027 0.000 1.093 211 I CA 0.633 61.952 61.300 0.032 0.000 1.380 211 I CB 0.037 38.060 38.000 0.037 0.000 1.067 211 I HN 0.112 nan 8.210 nan 0.000 0.413 212 L N -0.232 121.006 121.223 0.026 0.000 2.304 212 L HA 0.463 4.803 4.340 0.000 0.000 0.268 212 L C -0.186 176.698 176.870 0.023 0.000 1.010 212 L CA -0.719 54.135 54.840 0.023 0.000 0.813 212 L CB 1.549 43.625 42.059 0.028 0.000 1.315 212 L HN -0.266 nan 8.230 nan 0.000 0.445 213 V N 1.795 121.719 119.914 0.017 0.000 2.481 213 V HA 0.242 4.363 4.120 0.000 0.000 0.286 213 V C 1.393 177.495 176.094 0.013 0.000 1.042 213 V CA -0.450 61.855 62.300 0.009 0.000 0.928 213 V CB 1.667 33.486 31.823 -0.006 0.000 0.986 213 V HN 0.624 nan 8.190 nan 0.000 0.462 214 L N 3.302 124.535 121.223 0.017 0.000 2.012 214 L HA -0.171 4.169 4.340 0.000 0.000 0.210 214 L C 2.628 179.518 176.870 0.033 0.000 1.073 214 L CA 1.842 56.701 54.840 0.031 0.000 0.748 214 L CB -0.426 41.651 42.059 0.030 0.000 0.891 214 L HN 0.715 nan 8.230 nan 0.000 0.431 215 R N -0.110 120.387 120.500 -0.004 0.000 2.119 215 R HA -0.236 4.104 4.340 0.000 0.000 0.246 215 R C 2.531 178.779 176.300 -0.085 0.000 1.146 215 R CA 2.023 58.091 56.100 -0.053 0.000 0.962 215 R CB -0.238 29.976 30.300 -0.144 0.000 0.863 215 R HN 0.535 nan 8.270 nan 0.000 0.442 216 S N -0.977 114.683 115.700 -0.067 0.000 2.406 216 S HA -0.041 4.430 4.470 0.000 0.000 0.228 216 S C 1.940 176.601 174.600 0.102 0.000 1.020 216 S CA 1.041 59.228 58.200 -0.022 0.000 0.965 216 S CB -0.046 63.140 63.200 -0.023 0.000 0.798 216 S HN 0.164 nan 8.310 nan 0.000 0.488 217 V N 2.379 122.357 119.914 0.107 0.000 2.548 217 V HA 0.036 4.157 4.120 0.000 0.000 0.249 217 V C 3.301 179.501 176.094 0.177 0.000 1.055 217 V CA 1.869 64.267 62.300 0.163 0.000 1.065 217 V CB -1.668 30.237 31.823 0.137 0.000 0.681 217 V HN 0.777 nan 8.190 nan 0.000 0.462 218 E N -0.530 119.766 120.200 0.160 0.000 2.038 218 E HA -0.302 4.048 4.350 0.000 0.000 0.195 218 E C 1.910 178.618 176.600 0.180 0.000 1.000 218 E CA 1.899 58.389 56.400 0.150 0.000 0.803 218 E CB -1.119 28.690 29.700 0.181 0.000 0.750 218 E HN 0.785 nan 8.360 nan 0.000 0.448 219 Y N 0.314 120.636 120.300 0.038 0.000 2.207 219 Y HA -0.044 4.506 4.550 0.001 0.000 0.287 219 Y C 3.094 179.075 175.900 0.135 0.000 1.156 219 Y CA 0.789 58.963 58.100 0.124 0.000 1.182 219 Y CB -0.126 38.445 38.460 0.186 0.000 0.979 219 Y HN 0.392 nan 8.280 nan 0.000 0.521 220 A N 0.493 123.458 122.820 0.241 0.000 1.883 220 A HA -0.269 4.051 4.320 0.000 0.000 0.217 220 A C 2.159 179.529 177.584 -0.357 0.000 1.186 220 A CA 1.967 54.099 52.037 0.158 0.000 0.624 220 A CB -0.770 18.448 19.000 0.363 0.000 0.822 220 A HN 0.456 nan 8.150 nan 0.000 0.444 221 R N -0.372 119.785 120.500 -0.571 0.000 2.083 221 R HA -0.115 4.225 4.340 0.000 0.000 0.237 221 R C 2.306 178.223 176.300 -0.639 0.000 1.137 221 R CA 1.634 57.118 56.100 -1.026 0.000 0.951 221 R CB -0.488 29.547 30.300 -0.442 0.000 0.851 221 R HN 0.427 nan 8.270 nan 0.000 0.434 222 A N 0.230 122.790 122.820 -0.434 0.000 1.865 222 A HA -0.152 4.168 4.320 0.000 0.000 0.217 222 A C 1.648 178.838 177.584 -0.657 0.000 1.191 222 A CA 1.454 53.139 52.037 -0.587 0.000 0.623 222 A CB -0.594 17.923 19.000 -0.804 0.000 0.826 222 A HN 0.448 nan 8.150 nan 0.000 0.444 223 F N -0.668 119.154 119.950 -0.214 0.000 2.641 223 F HA 0.255 4.782 4.527 0.000 0.000 0.302 223 F C 0.854 176.581 175.800 -0.122 0.000 1.098 223 F CA 0.152 58.068 58.000 -0.140 0.000 1.318 223 F CB -0.529 38.419 39.000 -0.086 0.000 1.035 223 F HN 0.398 nan 8.300 nan 0.000 0.551 224 N N 1.350 119.979 118.700 -0.119 0.000 2.714 224 N HA -0.187 4.553 4.740 0.000 0.000 0.253 224 N C -1.094 174.523 175.510 0.177 0.000 1.024 224 N CA -0.246 52.773 53.050 -0.051 0.000 0.726 224 N CB -0.529 37.970 38.487 0.020 0.000 0.908 224 N HN 0.005 nan 8.380 nan 0.000 0.542 225 V N 2.701 122.752 119.914 0.228 0.000 2.320 225 V HA 0.321 4.441 4.120 0.000 0.000 0.265 225 V C -1.688 174.626 176.094 0.367 0.000 1.048 225 V CA -1.053 61.399 62.300 0.254 0.000 0.865 225 V CB 1.119 33.056 31.823 0.189 0.000 1.043 225 V HN 0.213 nan 8.190 nan 0.000 0.474 226 P HA 0.202 nan 4.420 nan 0.000 0.271 226 P C -0.672 176.651 177.300 0.038 0.000 1.226 226 P CA 0.089 63.248 63.100 0.098 0.000 0.765 226 P CB 0.862 32.579 31.700 0.029 0.000 0.835 227 L N 3.972 125.183 121.223 -0.019 0.000 2.334 227 L HA 0.541 4.881 4.340 0.000 0.000 0.275 227 L C 1.001 177.817 176.870 -0.089 0.000 1.036 227 L CA -0.721 54.100 54.840 -0.030 0.000 0.807 227 L CB 1.517 43.576 42.059 0.001 0.000 1.231 227 L HN 0.313 nan 8.230 nan 0.000 0.438 228 R N 1.675 122.110 120.500 -0.108 0.000 2.388 228 R HA 0.462 4.803 4.340 0.000 0.000 0.314 228 R C -1.399 174.788 176.300 -0.190 0.000 0.959 228 R CA -0.549 55.467 56.100 -0.140 0.000 0.851 228 R CB 1.642 31.860 30.300 -0.138 0.000 1.168 228 R HN 0.409 nan 8.270 nan 0.000 0.472 229 V N 5.890 125.716 119.914 -0.146 0.000 2.405 229 V HA 0.338 4.458 4.120 0.000 0.000 0.264 229 V C 0.428 176.434 176.094 -0.148 0.000 1.048 229 V CA 0.027 62.243 62.300 -0.141 0.000 0.966 229 V CB 0.734 32.519 31.823 -0.063 0.000 1.015 229 V HN 0.702 nan 8.190 nan 0.000 0.477 230 R N 2.743 123.096 120.500 -0.246 0.000 2.888 230 R HA 0.624 4.964 4.340 0.000 0.000 0.266 230 R C -0.446 175.874 176.300 0.034 0.000 1.020 230 R CA -0.708 55.281 56.100 -0.185 0.000 0.963 230 R CB 2.001 32.013 30.300 -0.481 0.000 1.197 230 R HN 0.590 nan 8.270 nan 0.000 0.481 231 S N -0.045 115.772 115.700 0.194 0.000 2.525 231 S HA 0.066 4.537 4.470 0.000 0.000 0.278 231 S C 0.895 175.780 174.600 0.474 0.000 1.234 231 S CA -0.577 57.816 58.200 0.322 0.000 1.058 231 S CB 0.958 64.319 63.200 0.268 0.000 0.983 231 S HN 0.666 nan 8.310 nan 0.000 0.495 232 S N 3.901 119.883 115.700 0.471 0.000 2.631 232 S HA 0.168 4.639 4.470 0.000 0.000 0.217 232 S C 0.403 174.946 174.600 -0.095 0.000 0.958 232 S CA -0.046 58.268 58.200 0.190 0.000 0.920 232 S CB -0.457 62.811 63.200 0.113 0.000 0.776 232 S HN 0.830 nan 8.310 nan 0.000 0.517 233 Y N 1.924 122.293 120.300 0.115 0.000 2.453 233 Y HA 0.358 4.909 4.550 0.000 0.000 0.247 233 Y C 1.084 177.025 175.900 0.069 0.000 1.124 233 Y CA -0.091 58.053 58.100 0.073 0.000 1.243 233 Y CB 0.738 39.236 38.460 0.064 0.000 1.213 233 Y HN 0.507 nan 8.280 nan 0.000 0.523 234 S N -1.770 114.052 115.700 0.203 0.000 2.672 234 S HA 0.323 4.794 4.470 0.000 0.000 0.271 234 S C -0.448 174.231 174.600 0.131 0.000 1.171 234 S CA -0.907 57.379 58.200 0.143 0.000 0.817 234 S CB 1.303 64.587 63.200 0.140 0.000 1.150 234 S HN -0.028 nan 8.310 nan 0.000 0.478 235 N N 1.711 120.471 118.700 0.100 0.000 2.236 235 N HA 0.172 4.913 4.740 0.000 0.000 0.196 235 N C -0.490 175.070 175.510 0.083 0.000 1.114 235 N CA 0.019 53.124 53.050 0.092 0.000 0.859 235 N CB -0.020 38.506 38.487 0.065 0.000 0.982 235 N HN 0.769 nan 8.380 nan 0.000 0.493 236 D N 0.351 120.800 120.400 0.081 0.000 2.362 236 D HA 0.064 4.705 4.640 0.000 0.000 0.242 236 D C -1.741 174.586 176.300 0.046 0.000 1.132 236 D CA -1.131 52.902 54.000 0.055 0.000 0.907 236 D CB 1.643 42.472 40.800 0.049 0.000 1.195 236 D HN -0.031 nan 8.370 nan 0.000 0.429 237 P HA 0.115 nan 4.420 nan 0.000 0.233 237 P C 0.807 178.092 177.300 -0.025 0.000 1.167 237 P CA 1.025 64.127 63.100 0.002 0.000 0.770 237 P CB -0.010 31.684 31.700 -0.009 0.000 0.837 238 G N -1.039 107.746 108.800 -0.025 0.000 2.741 238 G HA2 -0.166 3.794 3.960 0.000 0.000 0.222 238 G HA3 -0.166 3.794 3.960 0.000 0.000 0.222 238 G C -0.569 174.287 174.900 -0.074 0.000 1.364 238 G CA -0.495 44.577 45.100 -0.048 0.000 0.866 238 G HN 0.156 nan 8.290 nan 0.000 0.555 239 T N 0.822 115.325 114.554 -0.085 0.000 2.806 239 T HA 0.504 4.854 4.350 0.000 0.000 0.290 239 T C 0.334 174.973 174.700 -0.102 0.000 0.966 239 T CA -0.052 61.990 62.100 -0.096 0.000 1.060 239 T CB 1.437 70.250 68.868 -0.092 0.000 0.927 239 T HN 0.942 nan 8.240 nan 0.000 0.485 240 L N 4.625 125.785 121.223 -0.106 0.000 2.350 240 L HA 0.486 4.826 4.340 0.000 0.000 0.275 240 L C -0.745 176.029 176.870 -0.161 0.000 1.099 240 L CA -0.409 54.357 54.840 -0.122 0.000 0.808 240 L CB 0.421 42.415 42.059 -0.108 0.000 1.149 240 L HN 0.457 nan 8.230 nan 0.000 0.442 241 I N 5.609 126.049 120.570 -0.217 0.000 2.347 241 I HA 0.373 4.543 4.170 0.000 0.000 0.283 241 I C 0.833 176.617 176.117 -0.555 0.000 1.058 241 I CA -0.373 60.716 61.300 -0.352 0.000 1.202 241 I CB -0.053 37.737 38.000 -0.350 0.000 1.386 241 I HN 0.801 nan 8.210 nan 0.000 0.475 242 A N 5.356 127.919 122.820 -0.427 0.000 2.245 242 A HA 0.598 4.918 4.320 0.000 0.000 0.279 242 A C 1.046 178.372 177.584 -0.429 0.000 1.290 242 A CA 0.374 52.214 52.037 -0.328 0.000 0.819 242 A CB -0.394 18.500 19.000 -0.176 0.000 1.173 242 A HN 0.705 nan 8.150 nan 0.000 0.508 243 G N -1.075 107.666 108.800 -0.098 0.000 2.553 243 G HA2 0.439 4.400 3.960 0.000 0.000 0.278 243 G HA3 0.439 4.400 3.960 0.000 0.000 0.278 243 G C 0.537 175.539 174.900 0.170 0.000 1.349 243 G CA 0.363 45.552 45.100 0.148 0.000 1.037 243 G HN 1.512 nan 8.290 nan 0.000 0.508 244 S N -1.257 114.574 115.700 0.219 0.000 2.600 244 S HA 0.173 4.643 4.470 0.000 0.000 0.265 244 S C 1.431 176.074 174.600 0.071 0.000 1.325 244 S CA 0.383 58.680 58.200 0.161 0.000 1.002 244 S CB 1.025 64.289 63.200 0.107 0.000 0.921 244 S HN 0.773 nan 8.310 nan 0.000 0.554 245 M N -0.820 118.810 119.600 0.051 0.000 2.514 245 M HA 0.203 4.683 4.480 0.000 0.000 0.258 245 M C 1.135 177.442 176.300 0.011 0.000 1.119 245 M CA 0.590 55.901 55.300 0.019 0.000 1.111 245 M CB -0.342 32.265 32.600 0.012 0.000 1.390 245 M HN 0.500 nan 8.290 nan 0.000 0.475 246 E N 2.189 122.398 120.200 0.014 0.000 2.118 246 E HA -0.190 4.161 4.350 0.000 0.000 0.195 246 E C 1.094 177.696 176.600 0.004 0.000 0.992 246 E CA 1.642 58.045 56.400 0.006 0.000 0.804 246 E CB -0.563 29.139 29.700 0.004 0.000 0.741 246 E HN 0.683 nan 8.360 nan 0.000 0.458 247 D N 0.033 120.439 120.400 0.010 0.000 2.355 247 D HA 0.055 4.695 4.640 0.000 0.000 0.218 247 D C 0.529 176.828 176.300 -0.000 0.000 1.004 247 D CA 0.133 54.137 54.000 0.006 0.000 0.880 247 D CB 0.073 40.881 40.800 0.014 0.000 0.911 247 D HN 0.174 nan 8.370 nan 0.000 0.528 248 I N 2.991 123.559 120.570 -0.003 0.000 2.556 248 I HA 0.108 4.278 4.170 0.000 0.000 0.284 248 I C -1.851 174.257 176.117 -0.014 0.000 1.114 248 I CA -1.723 59.570 61.300 -0.012 0.000 1.418 248 I CB 0.586 38.576 38.000 -0.018 0.000 1.394 248 I HN -0.175 nan 8.210 nan 0.000 0.552 249 P HA 0.072 nan 4.420 nan 0.000 0.276 249 P C 1.012 178.298 177.300 -0.023 0.000 1.230 249 P CA -0.277 62.813 63.100 -0.017 0.000 0.776 249 P CB 1.474 33.164 31.700 -0.018 0.000 0.888 250 V N 2.548 122.450 119.914 -0.021 0.000 2.277 250 V HA -0.298 3.822 4.120 0.000 0.000 0.255 250 V C 2.531 178.600 176.094 -0.042 0.000 1.074 250 V CA 2.072 64.356 62.300 -0.026 0.000 1.058 250 V CB -0.859 30.955 31.823 -0.015 0.000 0.656 250 V HN 0.611 nan 8.190 nan 0.000 0.449 251 E N 0.288 120.467 120.200 -0.036 0.000 2.070 251 E HA -0.207 4.143 4.350 0.000 0.000 0.197 251 E C 1.891 178.457 176.600 -0.056 0.000 1.004 251 E CA 2.024 58.398 56.400 -0.044 0.000 0.805 251 E CB -0.260 29.421 29.700 -0.030 0.000 0.744 251 E HN 0.833 nan 8.360 nan 0.000 0.451 252 E N 0.131 120.302 120.200 -0.047 0.000 2.609 252 E HA 0.508 4.858 4.350 0.000 0.000 0.208 252 E C 0.010 176.579 176.600 -0.052 0.000 1.013 252 E CA 0.366 56.737 56.400 -0.048 0.000 1.093 252 E CB 0.265 29.943 29.700 -0.037 0.000 1.129 252 E HN 0.238 nan 8.360 nan 0.000 0.450 253 A N 0.418 123.200 122.820 -0.063 0.000 2.269 253 A HA 0.769 5.090 4.320 0.000 0.000 0.302 253 A C 0.642 178.183 177.584 -0.073 0.000 1.266 253 A CA 0.321 52.322 52.037 -0.060 0.000 0.894 253 A CB 0.149 19.117 19.000 -0.053 0.000 1.147 253 A HN 1.175 nan 8.150 nan 0.000 0.537 254 V N 2.792 122.669 119.914 -0.063 0.000 3.234 254 V HA 0.689 4.809 4.120 0.000 0.000 0.317 254 V C 0.182 176.234 176.094 -0.070 0.000 1.081 254 V CA -1.012 61.250 62.300 -0.063 0.000 1.037 254 V CB 0.906 32.696 31.823 -0.054 0.000 1.148 254 V HN 0.768 nan 8.190 nan 0.000 0.453 255 L N 2.952 124.129 121.223 -0.077 0.000 2.261 255 L HA 0.498 4.838 4.340 0.000 0.000 0.289 255 L C 1.722 178.539 176.870 -0.088 0.000 1.059 255 L CA 0.416 55.188 54.840 -0.114 0.000 0.816 255 L CB 0.627 42.575 42.059 -0.185 0.000 1.191 255 L HN 1.102 nan 8.230 nan 0.000 0.431 256 T N 2.271 116.780 114.554 -0.076 0.000 2.569 256 T HA 0.209 4.559 4.350 0.000 0.000 0.263 256 T C 0.885 175.557 174.700 -0.046 0.000 1.074 256 T CA 1.530 63.597 62.100 -0.054 0.000 1.176 256 T CB -0.135 68.708 68.868 -0.040 0.000 0.863 256 T HN 0.717 nan 8.240 nan 0.000 0.410 257 G N -1.797 106.982 108.800 -0.035 0.000 2.349 257 G HA2 0.483 4.444 3.960 0.000 0.000 0.294 257 G HA3 0.483 4.444 3.960 0.000 0.000 0.294 257 G C -1.911 173.009 174.900 0.034 0.000 1.380 257 G CA -0.052 45.043 45.100 -0.007 0.000 0.811 257 G HN 0.513 nan 8.290 nan 0.000 0.519 258 V N 0.734 120.695 119.914 0.079 0.000 2.394 258 V HA 0.713 4.833 4.120 0.000 0.000 0.282 258 V C 0.654 176.814 176.094 0.109 0.000 1.031 258 V CA 0.065 62.435 62.300 0.117 0.000 0.881 258 V CB 0.832 32.749 31.823 0.156 0.000 0.982 258 V HN 1.340 nan 8.190 nan 0.000 0.451 259 A N 3.751 126.629 122.820 0.097 0.000 2.337 259 A HA 0.906 5.226 4.320 0.000 0.000 0.331 259 A C -0.177 177.454 177.584 0.078 0.000 1.137 259 A CA -0.520 51.564 52.037 0.079 0.000 0.807 259 A CB 2.000 21.039 19.000 0.064 0.000 1.250 259 A HN 0.718 nan 8.150 nan 0.000 0.468 260 T N -0.235 114.355 114.554 0.061 0.000 2.896 260 T HA 0.607 4.958 4.350 0.000 0.000 0.297 260 T C -2.276 172.447 174.700 0.038 0.000 1.108 260 T CA -0.377 61.754 62.100 0.051 0.000 1.004 260 T CB 1.650 70.543 68.868 0.042 0.000 1.159 260 T HN 0.772 nan 8.240 nan 0.000 0.499 261 D N 1.496 121.916 120.400 0.033 0.000 2.688 261 D HA 0.271 4.911 4.640 0.000 0.000 0.210 261 D C -0.460 175.850 176.300 0.017 0.000 1.333 261 D CA -0.480 53.535 54.000 0.025 0.000 0.920 261 D CB 1.182 41.999 40.800 0.029 0.000 1.554 261 D HN 0.661 nan 8.370 nan 0.000 0.579 262 K N 0.931 121.338 120.400 0.012 0.000 2.646 262 K HA 0.219 4.539 4.320 0.000 0.000 0.206 262 K C 0.410 177.014 176.600 0.005 0.000 1.069 262 K CA -0.431 55.858 56.287 0.004 0.000 1.067 262 K CB 0.404 32.904 32.500 0.000 0.000 0.807 262 K HN 0.123 nan 8.250 nan 0.000 0.482 263 S N -0.108 115.599 115.700 0.013 0.000 2.583 263 S HA 0.210 4.680 4.470 0.000 0.000 0.239 263 S C -0.343 174.272 174.600 0.024 0.000 0.966 263 S CA -0.497 57.714 58.200 0.019 0.000 0.973 263 S CB -0.101 63.113 63.200 0.023 0.000 0.794 263 S HN 0.364 nan 8.310 nan 0.000 0.463 264 E N -0.131 120.076 120.200 0.012 0.000 2.408 264 E HA 0.743 5.093 4.350 0.000 0.000 0.275 264 E C -1.436 175.148 176.600 -0.026 0.000 0.935 264 E CA -0.977 55.431 56.400 0.013 0.000 0.775 264 E CB 2.371 32.083 29.700 0.020 0.000 1.277 264 E HN 0.342 nan 8.360 nan 0.000 0.455 265 A N 1.859 124.660 122.820 -0.032 0.000 2.386 265 A HA 0.492 4.812 4.320 0.000 0.000 0.311 265 A C -0.992 176.489 177.584 -0.171 0.000 1.068 265 A CA -0.663 51.287 52.037 -0.146 0.000 0.743 265 A CB 1.340 20.241 19.000 -0.165 0.000 1.258 265 A HN 0.442 nan 8.150 nan 0.000 0.429 266 K N 2.176 122.423 120.400 -0.255 0.000 2.258 266 K HA 0.528 4.849 4.320 0.000 0.000 0.284 266 K C -1.124 175.281 176.600 -0.326 0.000 1.051 266 K CA -0.165 55.967 56.287 -0.259 0.000 0.923 266 K CB 0.657 33.035 32.500 -0.203 0.000 1.046 266 K HN 0.442 nan 8.250 nan 0.000 0.474 267 V N 3.173 122.786 119.914 -0.501 0.000 2.667 267 V HA 0.411 4.531 4.120 0.000 0.000 0.308 267 V C -0.527 175.287 176.094 -0.466 0.000 1.048 267 V CA -0.695 61.279 62.300 -0.542 0.000 0.928 267 V CB 2.079 33.287 31.823 -1.026 0.000 1.004 267 V HN 0.887 nan 8.190 nan 0.000 0.444 268 T N 2.651 117.037 114.554 -0.280 0.000 2.949 268 T HA 0.379 4.729 4.350 0.000 0.000 0.300 268 T C -0.636 173.935 174.700 -0.216 0.000 0.988 268 T CA -0.399 61.576 62.100 -0.207 0.000 0.993 268 T CB 1.468 70.249 68.868 -0.145 0.000 0.984 268 T HN 0.309 nan 8.240 nan 0.000 0.442 269 V N 5.200 124.955 119.914 -0.265 0.000 2.353 269 V HA 0.314 4.434 4.120 0.000 0.000 0.264 269 V C 0.118 176.016 176.094 -0.327 0.000 1.049 269 V CA -0.579 61.439 62.300 -0.470 0.000 0.896 269 V CB 0.168 31.570 31.823 -0.702 0.000 1.025 269 V HN 0.733 nan 8.190 nan 0.000 0.475 270 L N 4.685 125.763 121.223 -0.241 0.000 2.265 270 L HA 0.654 4.994 4.340 0.000 0.000 0.288 270 L C 1.154 178.021 176.870 -0.005 0.000 1.058 270 L CA 0.131 54.917 54.840 -0.090 0.000 0.809 270 L CB 1.072 43.109 42.059 -0.036 0.000 1.179 270 L HN 0.883 nan 8.230 nan 0.000 0.429 271 G N 3.553 112.373 108.800 0.033 0.000 2.140 271 G HA2 -0.211 3.749 3.960 0.000 0.000 0.211 271 G HA3 -0.211 3.749 3.960 0.000 0.000 0.211 271 G C 0.016 175.023 174.900 0.178 0.000 1.013 271 G CA -0.619 44.544 45.100 0.106 0.000 0.705 271 G HN 0.486 nan 8.290 nan 0.000 0.508 272 I N 1.488 122.149 120.570 0.151 0.000 2.754 272 I HA 0.168 4.338 4.170 0.000 0.000 0.285 272 I C 1.209 177.413 176.117 0.145 0.000 1.166 272 I CA -0.040 61.391 61.300 0.219 0.000 1.417 272 I CB 0.824 38.916 38.000 0.154 0.000 1.382 272 I HN 0.199 nan 8.210 nan 0.000 0.588 273 S N 3.377 119.164 115.700 0.146 0.000 2.549 273 S HA -0.039 4.432 4.470 0.000 0.000 0.283 273 S C 0.395 175.037 174.600 0.071 0.000 1.320 273 S CA -0.417 57.838 58.200 0.090 0.000 1.058 273 S CB 0.547 63.792 63.200 0.075 0.000 0.882 273 S HN 0.604 nan 8.310 nan 0.000 0.498 274 D N 2.037 122.468 120.400 0.051 0.000 2.663 274 D HA 0.207 4.847 4.640 0.000 0.000 0.243 274 D C 0.541 176.861 176.300 0.033 0.000 1.218 274 D CA 0.091 54.114 54.000 0.039 0.000 0.846 274 D CB -0.628 40.190 40.800 0.030 0.000 1.014 274 D HN 0.596 nan 8.370 nan 0.000 0.476 275 K N 0.478 120.901 120.400 0.038 0.000 2.098 275 K HA 0.604 4.924 4.320 0.000 0.000 0.258 275 K C -2.550 174.068 176.600 0.030 0.000 0.973 275 K CA -1.574 54.731 56.287 0.031 0.000 0.898 275 K CB -0.285 32.233 32.500 0.030 0.000 1.057 275 K HN 0.077 nan 8.250 nan 0.000 0.447 276 P HA 0.315 nan 4.420 nan 0.000 0.268 276 P C 0.907 178.221 177.300 0.024 0.000 1.204 276 P CA 1.477 64.590 63.100 0.021 0.000 0.768 276 P CB 1.038 32.747 31.700 0.015 0.000 0.842 277 G N 1.961 110.776 108.800 0.026 0.000 2.213 277 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 277 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 277 G C 1.080 176.005 174.900 0.040 0.000 0.992 277 G CA -0.157 44.959 45.100 0.028 0.000 0.632 277 G HN 0.497 nan 8.290 nan 0.000 0.511 278 E N 0.663 120.895 120.200 0.053 0.000 2.072 278 E HA 0.073 4.423 4.350 0.000 0.000 0.190 278 E C 2.887 179.541 176.600 0.090 0.000 0.982 278 E CA 1.310 57.759 56.400 0.083 0.000 0.803 278 E CB -0.558 29.202 29.700 0.100 0.000 0.755 278 E HN 0.817 nan 8.360 nan 0.000 0.453 279 A N 1.889 124.747 122.820 0.062 0.000 1.917 279 A HA -0.178 4.143 4.320 0.000 0.000 0.219 279 A C 2.454 180.060 177.584 0.037 0.000 1.182 279 A CA 2.277 54.342 52.037 0.046 0.000 0.633 279 A CB -0.629 18.387 19.000 0.026 0.000 0.819 279 A HN 0.277 nan 8.150 nan 0.000 0.448 280 A N -0.555 122.285 122.820 0.033 0.000 1.902 280 A HA 0.034 4.355 4.320 0.000 0.000 0.217 280 A C 2.396 180.002 177.584 0.036 0.000 1.181 280 A CA 2.911 54.962 52.037 0.023 0.000 0.623 280 A CB -1.007 18.005 19.000 0.019 0.000 0.818 280 A HN 0.787 nan 8.150 nan 0.000 0.443 281 K N -0.606 119.830 120.400 0.060 0.000 2.113 281 K HA 0.029 4.349 4.320 0.000 0.000 0.208 281 K C 2.259 178.925 176.600 0.109 0.000 1.047 281 K CA 2.388 58.725 56.287 0.083 0.000 0.928 281 K CB -1.979 30.585 32.500 0.106 0.000 0.716 281 K HN 1.084 nan 8.250 nan 0.000 0.446 282 V N -0.604 119.379 119.914 0.115 0.000 2.255 282 V HA 0.160 4.280 4.120 0.000 0.000 0.243 282 V C 2.828 178.925 176.094 0.005 0.000 1.038 282 V CA 3.235 65.591 62.300 0.093 0.000 1.008 282 V CB -1.306 30.545 31.823 0.048 0.000 0.645 282 V HN 0.732 nan 8.190 nan 0.000 0.449 283 F N 0.498 120.429 119.950 -0.031 0.000 2.146 283 F HA -0.060 4.467 4.527 0.000 0.000 0.298 283 F C 2.618 178.381 175.800 -0.061 0.000 1.096 283 F CA 2.608 60.555 58.000 -0.088 0.000 1.275 283 F CB -0.760 38.194 39.000 -0.077 0.000 1.008 283 F HN 0.449 nan 8.300 nan 0.000 0.480 284 R N 0.620 121.107 120.500 -0.022 0.000 2.082 284 R HA -0.107 4.233 4.340 0.000 0.000 0.234 284 R C 2.637 178.932 176.300 -0.008 0.000 1.136 284 R CA 1.909 58.002 56.100 -0.012 0.000 0.935 284 R CB -0.924 29.379 30.300 0.004 0.000 0.842 284 R HN 0.437 nan 8.270 nan 0.000 0.430 285 A N 0.871 123.698 122.820 0.012 0.000 1.927 285 A HA -0.201 4.119 4.320 0.000 0.000 0.220 285 A C 2.285 179.872 177.584 0.004 0.000 1.185 285 A CA 1.823 53.875 52.037 0.024 0.000 0.639 285 A CB -0.773 18.266 19.000 0.065 0.000 0.820 285 A HN 0.430 nan 8.150 nan 0.000 0.451 286 L N -1.191 120.014 121.223 -0.031 0.000 2.141 286 L HA -0.176 4.164 4.340 0.000 0.000 0.209 286 L C 3.085 179.913 176.870 -0.070 0.000 1.094 286 L CA 0.890 55.684 54.840 -0.076 0.000 0.763 286 L CB -0.503 41.427 42.059 -0.215 0.000 0.908 286 L HN 0.478 nan 8.230 nan 0.000 0.437 287 A N 0.171 122.953 122.820 -0.063 0.000 1.855 287 A HA -0.191 4.129 4.320 0.000 0.000 0.215 287 A C 0.895 178.464 177.584 -0.025 0.000 1.191 287 A CA 1.419 53.426 52.037 -0.049 0.000 0.613 287 A CB -0.771 18.204 19.000 -0.042 0.000 0.829 287 A HN 0.399 nan 8.150 nan 0.000 0.442 288 D N 0.024 120.415 120.400 -0.014 0.000 2.736 288 D HA 0.442 5.082 4.640 0.000 0.000 0.228 288 D C 0.366 176.666 176.300 -0.001 0.000 1.077 288 D CA 0.819 54.816 54.000 -0.005 0.000 1.096 288 D CB 0.106 40.906 40.800 -0.000 0.000 1.138 288 D HN 0.422 nan 8.370 nan 0.000 0.461 289 A N 0.694 123.513 122.820 -0.002 0.000 2.577 289 A HA 0.460 4.780 4.320 0.000 0.000 0.195 289 A C 0.965 178.553 177.584 0.006 0.000 1.407 289 A CA 0.244 52.283 52.037 0.004 0.000 1.056 289 A CB -0.665 18.339 19.000 0.007 0.000 1.165 289 A HN 0.255 nan 8.150 nan 0.000 0.472 290 E N -0.442 119.760 120.200 0.003 0.000 2.252 290 E HA -0.203 4.147 4.350 0.000 0.000 0.218 290 E C -0.055 176.553 176.600 0.013 0.000 1.253 290 E CA 1.520 57.924 56.400 0.007 0.000 0.705 290 E CB -2.500 27.205 29.700 0.010 0.000 1.172 290 E HN 1.831 nan 8.360 nan 0.000 0.369 291 I N 0.619 121.194 120.570 0.008 0.000 2.517 291 I HA 0.278 4.448 4.170 0.000 0.000 0.280 291 I C -0.281 175.841 176.117 0.007 0.000 1.061 291 I CA -0.707 60.607 61.300 0.023 0.000 1.091 291 I CB 1.012 39.034 38.000 0.036 0.000 1.205 291 I HN 0.366 nan 8.210 nan 0.000 0.459 292 N N 6.635 125.350 118.700 0.025 0.000 2.520 292 N HA 0.374 5.114 4.740 0.000 0.000 0.273 292 N C -0.003 175.522 175.510 0.024 0.000 1.155 292 N CA 0.109 53.167 53.050 0.013 0.000 0.967 292 N CB 1.884 40.387 38.487 0.026 0.000 1.092 292 N HN 0.430 nan 8.380 nan 0.000 0.457 293 I N 0.294 120.849 120.570 -0.025 0.000 2.359 293 I HA 0.128 4.298 4.170 0.000 0.000 0.294 293 I C 0.835 176.974 176.117 0.036 0.000 0.987 293 I CA -0.645 60.643 61.300 -0.020 0.000 1.225 293 I CB 1.182 39.084 38.000 -0.163 0.000 1.366 293 I HN 0.598 nan 8.210 nan 0.000 0.466 294 D N 3.069 123.526 120.400 0.095 0.000 2.805 294 D HA 0.209 4.850 4.640 0.000 0.000 0.271 294 D C 0.501 176.838 176.300 0.061 0.000 1.166 294 D CA 1.727 55.769 54.000 0.070 0.000 1.004 294 D CB 0.296 41.141 40.800 0.076 0.000 1.136 294 D HN 0.682 nan 8.370 nan 0.000 0.444 295 M N 0.805 120.456 119.600 0.086 0.000 2.031 295 M HA 0.408 4.889 4.480 0.000 0.000 0.273 295 M C -1.171 175.183 176.300 0.090 0.000 0.904 295 M CA -0.880 54.458 55.300 0.064 0.000 0.963 295 M CB 2.373 34.997 32.600 0.040 0.000 1.707 295 M HN -0.216 nan 8.290 nan 0.000 0.427 296 V N 4.734 124.697 119.914 0.082 0.000 2.614 296 V HA 0.543 4.663 4.120 0.000 0.000 0.291 296 V C -1.052 175.073 176.094 0.053 0.000 1.049 296 V CA -0.126 62.233 62.300 0.098 0.000 1.038 296 V CB 1.315 33.177 31.823 0.065 0.000 0.980 296 V HN 0.839 nan 8.190 nan 0.000 0.481 297 L N 6.416 127.668 121.223 0.048 0.000 2.409 297 L HA 0.600 4.941 4.340 0.000 0.000 0.272 297 L C -0.351 176.527 176.870 0.013 0.000 0.980 297 L CA 0.170 55.022 54.840 0.019 0.000 0.826 297 L CB 1.747 43.810 42.059 0.006 0.000 1.268 297 L HN 0.774 nan 8.230 nan 0.000 0.407 298 Q N 2.617 122.421 119.800 0.007 0.000 2.397 298 Q HA 0.628 4.969 4.340 0.000 0.000 0.275 298 Q C -1.585 174.415 176.000 0.000 0.000 1.090 298 Q CA -0.599 55.206 55.803 0.003 0.000 0.809 298 Q CB 2.545 31.288 28.738 0.007 0.000 1.362 298 Q HN 0.625 nan 8.270 nan 0.000 0.431 306 G N 2.751 111.563 108.800 0.021 0.000 2.843 306 G HA2 0.385 4.345 3.960 0.000 0.000 0.275 306 G HA3 0.385 4.345 3.960 0.000 0.000 0.275 306 G C 0.118 175.037 174.900 0.031 0.000 0.709 306 G CA 0.380 45.494 45.100 0.023 0.000 2.089 306 G HN 0.350 nan 8.290 nan 0.000 0.571 307 T N -0.328 114.246 114.554 0.033 0.000 2.901 307 T HA 0.753 5.103 4.350 0.000 0.000 0.293 307 T C -0.495 174.227 174.700 0.037 0.000 1.084 307 T CA -0.350 61.777 62.100 0.045 0.000 1.008 307 T CB 2.408 71.308 68.868 0.053 0.000 1.170 307 T HN 0.261 nan 8.240 nan 0.000 0.509 308 T N 1.328 115.907 114.554 0.041 0.000 2.816 308 T HA 0.603 4.953 4.350 0.000 0.000 0.299 308 T C -2.015 172.694 174.700 0.014 0.000 1.230 308 T CA -0.591 61.523 62.100 0.025 0.000 1.007 308 T CB 1.421 70.303 68.868 0.022 0.000 1.289 308 T HN 0.725 nan 8.240 nan 0.000 0.508 309 D N 1.000 121.396 120.400 -0.005 0.000 2.498 309 D HA 0.619 5.259 4.640 0.000 0.000 0.247 309 D C -0.720 175.559 176.300 -0.035 0.000 1.070 309 D CA -0.384 53.596 54.000 -0.033 0.000 0.842 309 D CB 1.782 42.560 40.800 -0.036 0.000 1.361 309 D HN 0.352 nan 8.370 nan 0.000 0.484 310 I N 1.554 122.088 120.570 -0.059 0.000 2.406 310 I HA 0.311 4.481 4.170 0.000 0.000 0.290 310 I C -0.310 175.788 176.117 -0.031 0.000 0.999 310 I CA -0.471 60.813 61.300 -0.027 0.000 1.124 310 I CB 1.941 39.934 38.000 -0.012 0.000 1.289 310 I HN 0.281 nan 8.210 nan 0.000 0.441 311 T N 6.282 120.832 114.554 -0.008 0.000 2.918 311 T HA 0.725 5.075 4.350 0.000 0.000 0.286 311 T C -0.715 174.031 174.700 0.076 0.000 1.026 311 T CA -0.331 61.743 62.100 -0.044 0.000 1.031 311 T CB 1.414 70.242 68.868 -0.067 0.000 1.046 311 T HN 0.430 nan 8.240 nan 0.000 0.479 312 F N -1.061 118.865 119.950 -0.041 0.000 2.686 312 F HA 0.778 5.305 4.527 0.000 0.000 0.311 312 F C -0.934 174.857 175.800 -0.015 0.000 1.128 312 F CA -1.020 56.964 58.000 -0.026 0.000 0.946 312 F CB 0.885 39.870 39.000 -0.024 0.000 1.336 312 F HN 0.377 nan 8.300 nan 0.000 0.457 313 T N 1.742 116.442 114.554 0.242 0.000 2.855 313 T HA 0.637 4.987 4.350 0.000 0.000 0.281 313 T C -0.659 174.230 174.700 0.315 0.000 1.007 313 T CA -0.468 61.705 62.100 0.121 0.000 1.009 313 T CB 1.065 69.971 68.868 0.064 0.000 0.983 313 T HN 1.018 nan 8.240 nan 0.000 0.455 314 C N 1.682 121.116 119.300 0.223 0.000 3.044 314 C HA 0.863 5.323 4.460 0.000 0.000 0.315 314 C C -2.991 172.079 174.990 0.132 0.000 1.320 314 C CA -3.010 56.146 59.018 0.229 0.000 1.582 314 C CB 0.989 28.927 27.740 0.330 0.000 2.039 314 C HN 0.477 nan 8.230 nan 0.000 0.466 315 P HA 0.192 nan 4.420 nan 0.000 0.266 315 P C 0.667 178.025 177.300 0.098 0.000 1.195 315 P CA 0.288 63.438 63.100 0.083 0.000 0.768 315 P CB 0.366 32.108 31.700 0.069 0.000 0.838 316 R N 2.279 122.827 120.500 0.079 0.000 2.170 316 R HA -0.187 4.153 4.340 0.000 0.000 0.242 316 R C 2.361 178.734 176.300 0.123 0.000 1.145 316 R CA 1.943 58.105 56.100 0.104 0.000 0.984 316 R CB -1.022 29.316 30.300 0.062 0.000 0.869 316 R HN 0.614 nan 8.270 nan 0.000 0.455 317 S N 1.340 117.091 115.700 0.086 0.000 2.399 317 S HA -0.128 4.342 4.470 0.000 0.000 0.231 317 S C 1.099 175.739 174.600 0.067 0.000 1.022 317 S CA 1.378 59.618 58.200 0.067 0.000 0.983 317 S CB 0.013 63.244 63.200 0.050 0.000 0.803 317 S HN 0.143 nan 8.310 nan 0.000 0.480 318 D N 0.984 121.435 120.400 0.086 0.000 2.889 318 D HA 0.338 4.978 4.640 0.000 0.000 0.243 318 D C 1.374 177.716 176.300 0.071 0.000 1.270 318 D CA 0.209 54.253 54.000 0.074 0.000 0.838 318 D CB -0.103 40.751 40.800 0.091 0.000 1.040 318 D HN 0.405 nan 8.370 nan 0.000 0.480 319 G N 0.499 109.319 108.800 0.034 0.000 2.404 319 G HA2 -0.241 3.719 3.960 0.000 0.000 0.213 319 G HA3 -0.241 3.719 3.960 0.000 0.000 0.213 319 G C 1.857 176.496 174.900 -0.435 0.000 1.189 319 G CA 0.610 45.602 45.100 -0.179 0.000 0.796 319 G HN 0.436 nan 8.290 nan 0.000 0.532 320 R N 0.008 120.352 120.500 -0.260 0.000 2.115 320 R HA 0.188 4.528 4.340 0.000 0.000 0.226 320 R C 2.634 178.867 176.300 -0.111 0.000 1.100 320 R CA 2.004 57.983 56.100 -0.202 0.000 0.980 320 R CB -1.265 28.965 30.300 -0.116 0.000 0.875 320 R HN 0.542 nan 8.270 nan 0.000 0.445 321 R N 0.044 120.507 120.500 -0.061 0.000 2.127 321 R HA 0.440 4.780 4.340 0.000 0.000 0.217 321 R C 2.698 179.006 176.300 0.013 0.000 1.074 321 R CA 1.497 57.589 56.100 -0.013 0.000 0.991 321 R CB -1.119 29.185 30.300 0.006 0.000 0.895 321 R HN 0.730 nan 8.270 nan 0.000 0.450 322 A N -0.245 122.591 122.820 0.026 0.000 1.968 322 A HA 0.092 4.412 4.320 0.000 0.000 0.217 322 A C 2.257 179.886 177.584 0.074 0.000 1.169 322 A CA 1.737 53.834 52.037 0.100 0.000 0.638 322 A CB -0.192 18.922 19.000 0.191 0.000 0.812 322 A HN 0.444 nan 8.150 nan 0.000 0.446 323 M N -0.308 119.280 119.600 -0.021 0.000 2.248 323 M HA 0.079 4.559 4.480 0.000 0.000 0.265 323 M C 2.281 178.586 176.300 0.009 0.000 1.079 323 M CA 1.766 57.049 55.300 -0.027 0.000 1.150 323 M CB -0.794 31.718 32.600 -0.148 0.000 1.366 323 M HN 0.539 nan 8.290 nan 0.000 0.433 324 E N 0.022 120.215 120.200 -0.011 0.000 2.118 324 E HA -0.215 4.135 4.350 0.000 0.000 0.195 324 E C 2.033 178.657 176.600 0.040 0.000 0.992 324 E CA 1.961 58.366 56.400 0.009 0.000 0.804 324 E CB -1.373 28.324 29.700 -0.005 0.000 0.741 324 E HN 0.677 nan 8.360 nan 0.000 0.458 325 I N -0.245 120.357 120.570 0.053 0.000 2.617 325 I HA -0.002 4.168 4.170 0.000 0.000 0.256 325 I C 2.736 178.926 176.117 0.122 0.000 1.167 325 I CA 1.059 62.403 61.300 0.074 0.000 1.469 325 I CB 0.189 38.230 38.000 0.068 0.000 1.098 325 I HN 0.403 nan 8.210 nan 0.000 0.436 326 L N 0.053 121.364 121.223 0.146 0.000 2.554 326 L HA 0.084 4.425 4.340 0.000 0.000 0.226 326 L C 2.700 179.738 176.870 0.281 0.000 1.137 326 L CA 1.582 56.562 54.840 0.234 0.000 0.863 326 L CB -2.256 39.912 42.059 0.182 0.000 0.985 326 L HN 0.394 nan 8.230 nan 0.000 0.451 327 K N 0.764 121.265 120.400 0.169 0.000 1.991 327 K HA 0.042 4.362 4.320 0.000 0.000 0.212 327 K C 1.825 178.491 176.600 0.111 0.000 1.049 327 K CA 2.012 58.380 56.287 0.135 0.000 0.932 327 K CB -1.268 31.276 32.500 0.073 0.000 0.717 327 K HN 0.992 nan 8.250 nan 0.000 0.441 333 G N -0.172 108.427 108.800 -0.335 0.000 2.565 333 G HA2 0.402 4.362 3.960 0.000 0.000 0.142 333 G HA3 0.402 4.362 3.960 0.000 0.000 0.142 333 G C 0.056 174.718 174.900 -0.397 0.000 1.181 333 G CA 0.736 45.536 45.100 -0.500 0.000 1.066 333 G HN 0.482 nan 8.290 nan 0.000 0.530 334 N N -1.133 117.271 118.700 -0.494 0.000 2.559 334 N HA 0.178 4.918 4.740 0.000 0.000 0.247 334 N C 0.656 176.104 175.510 -0.104 0.000 1.063 334 N CA -0.067 52.857 53.050 -0.210 0.000 0.876 334 N CB 0.604 39.042 38.487 -0.081 0.000 1.608 334 N HN 0.615 nan 8.380 nan 0.000 0.467 335 W N 2.436 123.746 121.300 0.017 0.000 1.975 335 W HA 0.243 4.903 4.660 0.000 0.000 0.359 335 W C 1.495 178.024 176.519 0.016 0.000 1.363 335 W CA 0.044 57.400 57.345 0.018 0.000 1.376 335 W CB -0.591 28.883 29.460 0.024 0.000 1.231 335 W HN -0.064 nan 8.180 nan 0.000 0.641 336 T N -2.101 112.705 114.554 0.419 0.000 2.781 336 T HA 0.123 4.473 4.350 0.000 0.000 0.252 336 T C 0.305 175.196 174.700 0.318 0.000 1.039 336 T CA 1.227 63.481 62.100 0.256 0.000 1.147 336 T CB -0.451 68.510 68.868 0.155 0.000 0.865 336 T HN 0.552 nan 8.240 nan 0.000 0.423 337 N N -0.861 118.032 118.700 0.321 0.000 2.934 337 N HA 0.540 5.280 4.740 0.000 0.000 0.253 337 N C -2.185 173.362 175.510 0.062 0.000 1.466 337 N CA -0.415 52.762 53.050 0.211 0.000 0.858 337 N CB 2.481 41.032 38.487 0.106 0.000 1.459 337 N HN 0.400 nan 8.380 nan 0.000 0.532 338 V N -0.193 119.749 119.914 0.048 0.000 2.668 338 V HA 0.687 4.807 4.120 0.000 0.000 0.304 338 V C -1.254 174.836 176.094 -0.005 0.000 1.071 338 V CA -0.821 61.450 62.300 -0.048 0.000 0.894 338 V CB 1.138 32.942 31.823 -0.031 0.000 1.008 338 V HN 0.417 nan 8.190 nan 0.000 0.425 339 L N 3.816 125.017 121.223 -0.036 0.000 2.376 339 L HA 0.722 5.062 4.340 0.000 0.000 0.267 339 L C -0.619 176.285 176.870 0.055 0.000 1.035 339 L CA -0.879 53.963 54.840 0.003 0.000 0.800 339 L CB 1.206 43.244 42.059 -0.034 0.000 1.290 339 L HN 0.891 nan 8.230 nan 0.000 0.462 340 Y N 0.411 120.662 120.300 -0.082 0.000 2.287 340 Y HA 0.362 4.912 4.550 -0.000 0.000 0.325 340 Y C -1.458 174.403 175.900 -0.066 0.000 1.139 340 Y CA -0.947 57.101 58.100 -0.086 0.000 1.167 340 Y CB 1.224 39.649 38.460 -0.058 0.000 1.158 340 Y HN 0.641 nan 8.280 nan 0.000 0.434 341 D N 4.266 124.342 120.400 -0.539 0.000 2.461 341 D HA 0.174 4.815 4.640 0.000 0.000 0.240 341 D C 0.200 176.149 176.300 -0.585 0.000 1.094 341 D CA -0.495 53.239 54.000 -0.444 0.000 0.868 341 D CB 1.009 41.668 40.800 -0.234 0.000 1.062 341 D HN 0.706 nan 8.370 nan 0.000 0.530 342 D N 1.892 121.927 120.400 -0.608 0.000 2.347 342 D HA -0.116 4.524 4.640 0.000 0.000 0.213 342 D C 0.588 176.776 176.300 -0.188 0.000 0.985 342 D CA 0.556 54.308 54.000 -0.415 0.000 0.879 342 D CB -0.070 40.599 40.800 -0.219 0.000 0.919 342 D HN 0.409 nan 8.370 nan 0.000 0.526 343 Q N 0.865 120.572 119.800 -0.154 0.000 2.244 343 Q HA 0.142 4.482 4.340 0.000 0.000 0.239 343 Q C -0.121 175.831 176.000 -0.079 0.000 0.890 343 Q CA -0.185 55.565 55.803 -0.089 0.000 0.964 343 Q CB 0.865 29.564 28.738 -0.065 0.000 1.076 343 Q HN 0.352 nan 8.270 nan 0.000 0.447 344 V N -1.880 117.977 119.914 -0.095 0.000 2.353 344 V HA 0.616 4.737 4.120 0.000 0.000 0.264 344 V C 0.655 176.725 176.094 -0.041 0.000 1.049 344 V CA -0.764 61.493 62.300 -0.071 0.000 0.896 344 V CB 0.553 32.321 31.823 -0.091 0.000 1.025 344 V HN 0.215 nan 8.190 nan 0.000 0.475 345 G N 3.617 112.403 108.800 -0.023 0.000 2.606 345 G HA2 0.456 4.416 3.960 0.000 0.000 0.252 345 G HA3 0.456 4.416 3.960 0.000 0.000 0.252 345 G C -0.411 174.495 174.900 0.009 0.000 1.206 345 G CA -0.688 44.410 45.100 -0.004 0.000 0.861 345 G HN 0.980 nan 8.290 nan 0.000 0.561 346 K N -0.036 120.379 120.400 0.025 0.000 2.687 346 K HA 0.435 4.756 4.320 0.000 0.000 0.249 346 K C -1.697 174.942 176.600 0.064 0.000 0.994 346 K CA -0.617 55.695 56.287 0.042 0.000 0.913 346 K CB 1.981 34.500 32.500 0.032 0.000 1.202 346 K HN 0.401 nan 8.250 nan 0.000 0.460 347 V N 3.069 123.043 119.914 0.100 0.000 2.495 347 V HA 0.662 4.783 4.120 0.000 0.000 0.298 347 V C -1.189 175.036 176.094 0.218 0.000 1.031 347 V CA -0.100 62.279 62.300 0.132 0.000 0.871 347 V CB 1.946 33.834 31.823 0.109 0.000 0.988 347 V HN 0.836 nan 8.190 nan 0.000 0.432 348 S N 6.006 121.822 115.700 0.193 0.000 2.568 348 S HA 0.767 5.237 4.470 0.000 0.000 0.293 348 S C -1.088 173.654 174.600 0.236 0.000 1.089 348 S CA -0.525 57.797 58.200 0.203 0.000 0.945 348 S CB 1.799 65.054 63.200 0.091 0.000 1.077 348 S HN 0.862 nan 8.310 nan 0.000 0.485 349 L N 2.986 124.358 121.223 0.248 0.000 2.346 349 L HA 0.875 5.215 4.340 0.000 0.000 0.276 349 L C -0.858 176.019 176.870 0.011 0.000 1.006 349 L CA -0.579 54.350 54.840 0.150 0.000 0.817 349 L CB 1.605 43.802 42.059 0.231 0.000 1.272 349 L HN 0.564 nan 8.230 nan 0.000 0.421 350 V N 2.058 121.960 119.914 -0.021 0.000 2.823 350 V HA 1.101 5.221 4.120 0.000 0.000 0.312 350 V C -0.480 175.572 176.094 -0.069 0.000 1.072 350 V CA 0.311 62.585 62.300 -0.043 0.000 0.937 350 V CB 1.526 33.339 31.823 -0.017 0.000 1.013 350 V HN 1.235 nan 8.190 nan 0.000 0.430 351 G N 2.258 111.016 108.800 -0.071 0.000 2.219 351 G HA2 0.627 4.587 3.960 0.000 0.000 0.304 351 G HA3 0.627 4.587 3.960 0.000 0.000 0.304 351 G C 0.149 175.014 174.900 -0.059 0.000 1.712 351 G CA 0.054 45.110 45.100 -0.073 0.000 0.905 351 G HN 1.690 nan 8.290 nan 0.000 0.706 352 A N 0.865 123.658 122.820 -0.044 0.000 2.070 352 A HA 0.231 4.551 4.320 0.000 0.000 0.220 352 A C 2.670 180.235 177.584 -0.033 0.000 1.159 352 A CA 2.739 54.756 52.037 -0.033 0.000 0.656 352 A CB -0.594 18.391 19.000 -0.026 0.000 0.800 352 A HN 1.943 nan 8.150 nan 0.000 0.453 353 G N 0.661 109.434 108.800 -0.046 0.000 2.507 353 G HA2 -0.338 3.622 3.960 0.000 0.000 0.221 353 G HA3 -0.338 3.622 3.960 0.000 0.000 0.221 353 G C 1.586 176.490 174.900 0.007 0.000 1.119 353 G CA 1.466 46.540 45.100 -0.043 0.000 0.751 353 G HN 0.790 nan 8.290 nan 0.000 0.574 354 M N -0.185 119.407 119.600 -0.014 0.000 2.492 354 M HA 0.309 4.789 4.480 0.000 0.000 0.262 354 M C 2.217 178.525 176.300 0.012 0.000 1.090 354 M CA 1.672 56.974 55.300 0.003 0.000 1.110 354 M CB -0.130 32.431 32.600 -0.065 0.000 1.407 354 M HN 0.130 nan 8.290 nan 0.000 0.470 355 K N 1.757 122.158 120.400 0.002 0.000 2.074 355 K HA -0.152 4.168 4.320 0.000 0.000 0.209 355 K C 0.999 177.607 176.600 0.014 0.000 1.048 355 K CA 2.014 58.300 56.287 -0.001 0.000 0.926 355 K CB -0.011 32.485 32.500 -0.006 0.000 0.713 355 K HN 0.604 nan 8.250 nan 0.000 0.444 356 S N -1.235 114.488 115.700 0.037 0.000 2.941 356 S HA 0.086 4.557 4.470 0.000 0.000 0.251 356 S C -0.656 174.009 174.600 0.108 0.000 1.029 356 S CA -0.881 57.347 58.200 0.048 0.000 1.062 356 S CB -0.068 63.150 63.200 0.030 0.000 0.977 356 S HN 0.365 nan 8.310 nan 0.000 0.552 357 H N 2.284 121.348 119.070 -0.011 0.000 2.673 357 H HA 0.442 4.998 4.556 0.000 0.000 0.293 357 H C -2.929 172.404 175.328 0.008 0.000 1.065 357 H CA -1.904 54.144 56.048 -0.001 0.000 1.236 357 H CB 0.956 30.716 29.762 -0.003 0.000 1.389 357 H HN 0.222 nan 8.280 nan 0.000 0.481 358 P HA 0.133 nan 4.420 nan 0.000 0.271 358 P C 0.749 177.901 177.300 -0.246 0.000 1.218 358 P CA 0.864 63.879 63.100 -0.140 0.000 0.780 358 P CB 0.868 32.525 31.700 -0.073 0.000 0.901 359 G N 0.098 108.822 108.800 -0.127 0.000 2.176 359 G HA2 -0.267 3.693 3.960 0.000 0.000 0.232 359 G HA3 -0.267 3.693 3.960 0.000 0.000 0.232 359 G C 0.917 175.813 174.900 -0.006 0.000 0.986 359 G CA 0.143 45.195 45.100 -0.080 0.000 0.643 359 G HN 0.393 nan 8.290 nan 0.000 0.522 360 V N 1.592 121.502 119.914 -0.006 0.000 2.295 360 V HA -0.163 3.957 4.120 0.000 0.000 0.246 360 V C 3.218 179.451 176.094 0.231 0.000 1.049 360 V CA 3.547 65.930 62.300 0.139 0.000 1.024 360 V CB -0.818 31.019 31.823 0.023 0.000 0.648 360 V HN 0.919 nan 8.190 nan 0.000 0.447 361 T N -0.990 113.629 114.554 0.108 0.000 2.821 361 T HA -0.122 4.228 4.350 0.000 0.000 0.267 361 T C 1.904 176.707 174.700 0.173 0.000 1.046 361 T CA 1.573 63.742 62.100 0.114 0.000 1.139 361 T CB -0.376 68.491 68.868 -0.002 0.000 0.871 361 T HN 0.444 nan 8.240 nan 0.000 0.454 362 A N 1.952 124.839 122.820 0.112 0.000 1.883 362 A HA -0.134 4.186 4.320 0.000 0.000 0.217 362 A C 2.289 179.944 177.584 0.118 0.000 1.186 362 A CA 1.841 53.933 52.037 0.091 0.000 0.624 362 A CB -0.819 18.208 19.000 0.044 0.000 0.822 362 A HN 0.721 nan 8.150 nan 0.000 0.444 363 E N -1.876 118.418 120.200 0.156 0.000 2.347 363 E HA -0.086 4.264 4.350 0.000 0.000 0.196 363 E C 1.606 178.269 176.600 0.105 0.000 1.008 363 E CA 0.676 57.129 56.400 0.088 0.000 0.852 363 E CB -0.164 29.597 29.700 0.101 0.000 0.783 363 E HN 0.754 nan 8.360 nan 0.000 0.505 364 F N 0.761 120.831 119.950 0.199 0.000 2.074 364 F HA -0.176 4.351 4.527 0.000 0.000 0.293 364 F C 2.163 178.005 175.800 0.069 0.000 1.116 364 F CA 1.068 59.189 58.000 0.202 0.000 1.212 364 F CB 0.070 39.209 39.000 0.232 0.000 0.998 364 F HN -0.066 nan 8.300 nan 0.000 0.471 365 M N 0.795 120.612 119.600 0.362 0.000 2.108 365 M HA -0.216 4.264 4.480 0.000 0.000 0.261 365 M C 1.950 178.284 176.300 0.058 0.000 1.066 365 M CA 1.684 57.099 55.300 0.192 0.000 1.107 365 M CB -0.854 31.837 32.600 0.152 0.000 1.356 365 M HN 0.180 nan 8.290 nan 0.000 0.406 366 E N -0.680 119.540 120.200 0.033 0.000 2.153 366 E HA -0.138 4.212 4.350 0.000 0.000 0.194 366 E C 2.028 178.586 176.600 -0.070 0.000 0.988 366 E CA 1.074 57.463 56.400 -0.019 0.000 0.811 366 E CB -0.202 29.483 29.700 -0.024 0.000 0.746 366 E HN 0.545 nan 8.360 nan 0.000 0.466 367 A N 0.767 123.514 122.820 -0.122 0.000 1.873 367 A HA -0.144 4.176 4.320 0.000 0.000 0.215 367 A C 2.011 179.504 177.584 -0.151 0.000 1.186 367 A CA 1.060 52.985 52.037 -0.186 0.000 0.616 367 A CB -0.379 18.436 19.000 -0.308 0.000 0.823 367 A HN 0.119 nan 8.150 nan 0.000 0.442 368 L N -0.327 120.805 121.223 -0.151 0.000 2.376 368 L HA 0.012 4.353 4.340 0.000 0.000 0.219 368 L C 2.445 179.283 176.870 -0.054 0.000 1.133 368 L CA 1.544 56.320 54.840 -0.107 0.000 0.816 368 L CB -0.522 41.478 42.059 -0.098 0.000 0.933 368 L HN 0.545 nan 8.230 nan 0.000 0.449 369 R N -0.287 120.188 120.500 -0.041 0.000 2.075 369 R HA -0.102 4.238 4.340 0.000 0.000 0.226 369 R C 1.278 177.558 176.300 -0.033 0.000 1.114 369 R CA 1.377 57.462 56.100 -0.025 0.000 0.972 369 R CB -0.143 30.149 30.300 -0.014 0.000 0.869 369 R HN 0.216 nan 8.270 nan 0.000 0.437 370 D N 0.486 120.858 120.400 -0.047 0.000 2.378 370 D HA 0.003 4.644 4.640 0.000 0.000 0.222 370 D C 0.205 176.478 176.300 -0.045 0.000 0.980 370 D CA 0.516 54.488 54.000 -0.046 0.000 0.907 370 D CB 0.287 41.053 40.800 -0.057 0.000 0.899 370 D HN 0.032 nan 8.370 nan 0.000 0.527 371 V N 0.046 119.931 119.914 -0.049 0.000 2.994 371 V HA 0.433 4.554 4.120 0.000 0.000 0.318 371 V C 0.682 176.757 176.094 -0.033 0.000 1.085 371 V CA -0.865 61.410 62.300 -0.041 0.000 0.998 371 V CB 1.430 33.224 31.823 -0.049 0.000 1.063 371 V HN 0.119 nan 8.190 nan 0.000 0.447 372 N N 0.956 119.640 118.700 -0.026 0.000 2.421 372 N HA 0.495 5.235 4.740 0.000 0.000 0.260 372 N C -0.690 174.808 175.510 -0.020 0.000 1.173 372 N CA 0.300 53.338 53.050 -0.020 0.000 0.960 372 N CB 0.983 39.460 38.487 -0.017 0.000 1.273 372 N HN 0.740 nan 8.380 nan 0.000 0.497 373 V N 1.392 121.295 119.914 -0.019 0.000 2.852 373 V HA 0.524 4.644 4.120 0.000 0.000 0.300 373 V C -1.520 174.572 176.094 -0.004 0.000 1.205 373 V CA -0.950 61.342 62.300 -0.015 0.000 0.940 373 V CB 2.072 33.881 31.823 -0.023 0.000 1.047 373 V HN 0.845 nan 8.190 nan 0.000 0.429 374 N N 4.515 123.216 118.700 0.002 0.000 2.400 374 N HA 0.646 5.387 4.740 0.000 0.000 0.288 374 N C -0.841 174.682 175.510 0.023 0.000 1.024 374 N CA -0.471 52.585 53.050 0.010 0.000 0.894 374 N CB 1.425 39.914 38.487 0.003 0.000 1.173 374 N HN 0.652 nan 8.380 nan 0.000 0.487 375 I N 2.845 123.438 120.570 0.038 0.000 2.379 375 I HA 0.111 4.281 4.170 0.000 0.000 0.290 375 I C 1.179 177.313 176.117 0.029 0.000 1.063 375 I CA 0.326 61.659 61.300 0.055 0.000 1.351 375 I CB 1.039 39.091 38.000 0.086 0.000 1.410 375 I HN 0.678 nan 8.210 nan 0.000 0.505 376 E N 5.123 125.335 120.200 0.019 0.000 2.290 376 E HA 0.268 4.618 4.350 0.000 0.000 0.197 376 E C -0.429 176.168 176.600 -0.004 0.000 0.948 376 E CA 0.392 56.792 56.400 0.001 0.000 0.895 376 E CB 0.426 30.119 29.700 -0.013 0.000 0.865 376 E HN 0.358 nan 8.360 nan 0.000 0.486 377 L N 0.739 121.963 121.223 0.002 0.000 2.434 377 L HA 0.476 4.816 4.340 0.000 0.000 0.260 377 L C -1.060 175.809 176.870 -0.001 0.000 0.983 377 L CA -0.463 54.373 54.840 -0.005 0.000 0.820 377 L CB 2.470 44.520 42.059 -0.016 0.000 1.361 377 L HN -0.073 nan 8.230 nan 0.000 0.410 378 I N 0.846 121.407 120.570 -0.015 0.000 2.498 378 I HA 0.659 4.830 4.170 0.000 0.000 0.290 378 I C -0.522 175.568 176.117 -0.044 0.000 1.032 378 I CA -0.370 60.908 61.300 -0.037 0.000 1.073 378 I CB 2.142 40.113 38.000 -0.047 0.000 1.251 378 I HN 0.542 nan 8.210 nan 0.000 0.426 379 S N 3.629 119.293 115.700 -0.060 0.000 2.569 379 S HA 0.778 5.249 4.470 0.000 0.000 0.280 379 S C -0.957 173.597 174.600 -0.077 0.000 1.111 379 S CA -0.255 57.915 58.200 -0.050 0.000 0.887 379 S CB 2.229 65.412 63.200 -0.028 0.000 1.095 379 S HN 0.649 nan 8.310 nan 0.000 0.476 380 T N 1.727 116.243 114.554 -0.062 0.000 2.894 380 T HA 0.729 5.079 4.350 0.000 0.000 0.309 380 T C -0.925 173.744 174.700 -0.051 0.000 1.208 380 T CA -0.327 61.728 62.100 -0.075 0.000 1.016 380 T CB 1.636 70.456 68.868 -0.080 0.000 1.192 380 T HN 1.031 nan 8.240 nan 0.000 0.491 381 S N 0.869 116.538 115.700 -0.052 0.000 2.851 381 S HA 0.771 5.241 4.470 0.000 0.000 0.317 381 S C 1.531 176.107 174.600 -0.040 0.000 1.144 381 S CA 0.266 58.444 58.200 -0.037 0.000 0.862 381 S CB 0.515 63.699 63.200 -0.026 0.000 1.259 381 S HN 0.804 nan 8.310 nan 0.000 0.564 382 E N 0.671 120.853 120.200 -0.030 0.000 2.097 382 E HA -0.096 4.255 4.350 0.000 0.000 0.196 382 E C 1.595 178.174 176.600 -0.035 0.000 1.000 382 E CA 1.950 58.334 56.400 -0.028 0.000 0.804 382 E CB -0.892 28.796 29.700 -0.019 0.000 0.740 382 E HN 1.007 nan 8.360 nan 0.000 0.454 383 I N -2.291 118.257 120.570 -0.036 0.000 3.707 383 I HA 0.499 4.669 4.170 0.000 0.000 0.330 383 I C 0.125 176.209 176.117 -0.055 0.000 1.572 383 I CA -0.244 61.030 61.300 -0.043 0.000 1.104 383 I CB -0.296 37.686 38.000 -0.031 0.000 1.240 383 I HN 0.191 nan 8.210 nan 0.000 0.475 384 R N 1.590 122.051 120.500 -0.066 0.000 2.535 384 R HA 0.651 4.992 4.340 0.000 0.000 0.274 384 R C -2.049 174.176 176.300 -0.125 0.000 1.090 384 R CA -0.611 55.443 56.100 -0.077 0.000 0.930 384 R CB 2.285 32.557 30.300 -0.047 0.000 1.223 384 R HN 0.251 nan 8.270 nan 0.000 0.441 385 I N 3.123 123.578 120.570 -0.191 0.000 2.339 385 I HA 0.301 4.471 4.170 0.000 0.000 0.290 385 I C -0.402 175.522 176.117 -0.321 0.000 0.994 385 I CA -0.536 60.545 61.300 -0.365 0.000 1.191 385 I CB 2.064 39.627 38.000 -0.727 0.000 1.343 385 I HN 0.535 nan 8.210 nan 0.000 0.458 386 S N 4.871 120.441 115.700 -0.218 0.000 2.503 386 S HA 0.704 5.174 4.470 0.000 0.000 0.301 386 S C -0.637 173.925 174.600 -0.065 0.000 1.087 386 S CA -0.602 57.551 58.200 -0.079 0.000 1.042 386 S CB 2.557 65.742 63.200 -0.025 0.000 1.043 386 S HN 0.313 nan 8.310 nan 0.000 0.489 387 V N 3.359 123.311 119.914 0.063 0.000 2.841 387 V HA 0.491 4.611 4.120 0.000 0.000 0.310 387 V C -1.237 174.911 176.094 0.090 0.000 1.090 387 V CA -0.710 61.650 62.300 0.100 0.000 0.930 387 V CB 2.012 33.999 31.823 0.274 0.000 1.014 387 V HN 0.761 nan 8.190 nan 0.000 0.425 388 L N 6.584 127.837 121.223 0.051 0.000 2.265 388 L HA 0.589 4.930 4.340 0.000 0.000 0.289 388 L C -0.296 176.590 176.870 0.026 0.000 1.033 388 L CA -0.358 54.498 54.840 0.027 0.000 0.814 388 L CB 1.275 43.332 42.059 -0.004 0.000 1.203 388 L HN 0.543 nan 8.230 nan 0.000 0.423 389 I N 0.706 121.291 120.570 0.024 0.000 3.294 389 I HA 0.541 4.711 4.170 0.000 0.000 0.311 389 I C -0.352 175.761 176.117 -0.006 0.000 1.111 389 I CA -1.362 59.945 61.300 0.012 0.000 0.976 389 I CB 1.682 39.694 38.000 0.021 0.000 1.260 389 I HN 0.533 nan 8.210 nan 0.000 0.474 390 R N 1.652 122.144 120.500 -0.012 0.000 2.389 390 R HA 0.125 4.465 4.340 0.000 0.000 0.295 390 R C 1.166 177.456 176.300 -0.017 0.000 1.075 390 R CA 0.072 56.160 56.100 -0.021 0.000 1.005 390 R CB 0.887 31.174 30.300 -0.022 0.000 0.987 390 R HN 0.758 nan 8.270 nan 0.000 0.452 391 E N 2.577 122.764 120.200 -0.022 0.000 2.171 391 E HA -0.285 4.066 4.350 0.000 0.000 0.197 391 E C 0.546 177.138 176.600 -0.014 0.000 0.997 391 E CA 1.877 58.267 56.400 -0.016 0.000 0.810 391 E CB -0.068 29.620 29.700 -0.020 0.000 0.738 391 E HN 0.629 nan 8.360 nan 0.000 0.467 392 D N 1.647 122.037 120.400 -0.016 0.000 2.092 392 D HA -0.225 4.415 4.640 0.000 0.000 0.193 392 D C 1.276 177.568 176.300 -0.014 0.000 0.994 392 D CA 1.349 55.341 54.000 -0.014 0.000 0.828 392 D CB -0.661 40.131 40.800 -0.015 0.000 0.963 392 D HN 0.153 nan 8.370 nan 0.000 0.450 393 D N -0.117 120.274 120.400 -0.014 0.000 2.378 393 D HA -0.021 4.619 4.640 0.000 0.000 0.227 393 D C 1.976 178.267 176.300 -0.015 0.000 1.012 393 D CA -0.102 53.888 54.000 -0.016 0.000 0.905 393 D CB -0.116 40.675 40.800 -0.016 0.000 0.895 393 D HN 0.110 nan 8.370 nan 0.000 0.532 394 L N 1.120 122.338 121.223 -0.010 0.000 1.955 394 L HA -0.201 4.139 4.340 0.000 0.000 0.213 394 L C 1.494 178.360 176.870 -0.006 0.000 1.072 394 L CA 1.927 56.765 54.840 -0.004 0.000 0.755 394 L CB -0.642 41.417 42.059 0.001 0.000 0.888 394 L HN -0.137 nan 8.230 nan 0.000 0.432 395 D N -0.235 120.159 120.400 -0.009 0.000 2.157 395 D HA -0.254 4.387 4.640 0.000 0.000 0.191 395 D C 2.119 178.407 176.300 -0.019 0.000 1.004 395 D CA 1.806 55.798 54.000 -0.013 0.000 0.854 395 D CB -0.364 40.425 40.800 -0.018 0.000 0.936 395 D HN 0.536 nan 8.370 nan 0.000 0.446 396 A N 0.434 123.240 122.820 -0.023 0.000 1.969 396 A HA 0.053 4.373 4.320 0.000 0.000 0.218 396 A C 2.267 179.828 177.584 -0.038 0.000 1.169 396 A CA 1.993 54.012 52.037 -0.030 0.000 0.635 396 A CB -0.583 18.399 19.000 -0.030 0.000 0.810 396 A HN 0.244 nan 8.150 nan 0.000 0.445 397 A N 0.084 122.881 122.820 -0.039 0.000 1.873 397 A HA 0.181 4.501 4.320 0.000 0.000 0.215 397 A C 2.529 180.078 177.584 -0.058 0.000 1.186 397 A CA 2.006 54.005 52.037 -0.063 0.000 0.616 397 A CB -1.135 17.835 19.000 -0.051 0.000 0.823 397 A HN 1.059 nan 8.150 nan 0.000 0.442 398 A N -0.259 122.552 122.820 -0.015 0.000 1.917 398 A HA -0.239 4.081 4.320 0.000 0.000 0.219 398 A C 2.189 179.799 177.584 0.042 0.000 1.182 398 A CA 2.254 54.306 52.037 0.026 0.000 0.633 398 A CB -0.523 18.499 19.000 0.037 0.000 0.819 398 A HN 0.516 nan 8.150 nan 0.000 0.448 399 R N -0.425 120.078 120.500 0.005 0.000 2.103 399 R HA -0.145 4.195 4.340 0.000 0.000 0.234 399 R C 2.406 178.712 176.300 0.011 0.000 1.132 399 R CA 2.099 58.198 56.100 -0.002 0.000 0.925 399 R CB -0.710 29.573 30.300 -0.029 0.000 0.842 399 R HN 0.462 nan 8.270 nan 0.000 0.430 400 A N 0.257 123.054 122.820 -0.038 0.000 1.883 400 A HA -0.164 4.156 4.320 0.000 0.000 0.217 400 A C 2.019 179.541 177.584 -0.105 0.000 1.186 400 A CA 1.399 53.389 52.037 -0.078 0.000 0.624 400 A CB -0.734 18.199 19.000 -0.113 0.000 0.822 400 A HN 0.285 nan 8.150 nan 0.000 0.444 401 L N -0.710 120.451 121.223 -0.103 0.000 2.013 401 L HA -0.214 4.126 4.340 0.000 0.000 0.212 401 L C 2.317 179.229 176.870 0.070 0.000 1.073 401 L CA 2.491 57.291 54.840 -0.068 0.000 0.753 401 L CB -1.562 40.484 42.059 -0.022 0.000 0.890 401 L HN 0.674 nan 8.230 nan 0.000 0.432 402 H N -1.220 117.865 119.070 0.025 0.000 2.353 402 H HA -0.195 4.361 4.556 0.001 0.000 0.300 402 H C 2.228 177.570 175.328 0.023 0.000 1.090 402 H CA 1.847 57.929 56.048 0.057 0.000 1.327 402 H CB 0.371 30.155 29.762 0.038 0.000 1.383 402 H HN 0.318 nan 8.280 nan 0.000 0.508 403 E N -0.012 120.268 120.200 0.133 0.000 2.107 403 E HA -0.166 4.184 4.350 0.000 0.000 0.191 403 E C 2.279 178.850 176.600 -0.049 0.000 0.982 403 E CA 1.073 57.505 56.400 0.052 0.000 0.809 403 E CB -0.063 29.645 29.700 0.013 0.000 0.756 403 E HN 0.447 nan 8.360 nan 0.000 0.459 404 Q N -0.561 119.137 119.800 -0.170 0.000 2.020 404 Q HA -0.095 4.246 4.340 0.000 0.000 0.202 404 Q C 1.269 177.051 176.000 -0.363 0.000 0.982 404 Q CA 1.900 57.486 55.803 -0.361 0.000 0.838 404 Q CB -0.369 27.982 28.738 -0.645 0.000 0.899 404 Q HN 0.385 nan 8.270 nan 0.000 0.423 405 F N 0.088 120.030 119.950 -0.013 0.000 2.797 405 F HA 0.246 4.773 4.527 0.000 0.000 0.302 405 F C 0.096 175.876 175.800 -0.033 0.000 1.130 405 F CA 0.263 58.255 58.000 -0.013 0.000 1.387 405 F CB 0.256 39.248 39.000 -0.014 0.000 1.107 405 F HN 0.050 nan 8.300 nan 0.000 0.577 406 Q N 1.312 121.159 119.800 0.080 0.000 2.616 406 Q HA 0.579 4.919 4.340 0.000 0.000 0.250 406 Q C -0.075 175.951 176.000 0.043 0.000 0.991 406 Q CA -0.260 55.572 55.803 0.050 0.000 0.707 406 Q CB 1.583 30.331 28.738 0.017 0.000 1.247 406 Q HN 0.149 nan 8.270 nan 0.000 0.491 407 L N 0.000 121.243 121.223 0.033 0.000 2.949 407 L HA 0.000 4.340 4.340 0.000 0.000 0.249 407 L CA 0.000 54.852 54.840 0.020 0.000 0.813 407 L CB 0.000 42.075 42.059 0.026 0.000 0.961 407 L HN 0.000 nan 8.230 nan 0.000 0.502