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 1wl5_1_A DATA FIRST_RESID 4 DATA SEQUENCE GSDPVVIVSA ARTIIGSFNG ALAAVPVQDL GSTVIKEVLK RATVAPEDVS DATA SEQUENCE EVIFGHVLAA GCGQNPVRQA SVGAGIPYSV PAWSCQMIXG SGLKAVCLAV DATA SEQUENCE QSIGIGDSSI VVAGGMENMS KAPHLAYLRT GVKIGEMPLT DSILCDGLTD DATA SEQUENCE AFHNCHMGIT AENVAKKWQV SREDQDKVAV LSQNRTENAQ KAGHFDKEIV DATA SEQUENCE PVLVSTRKGL IEVKTDEFPR HGSNIEAMSK LKPYFLTDGT GTVTPANASG DATA SEQUENCE INDGAAAVVL MKKSEADKRG LTPLARIVSW SQVGVEPSIM GIGPIPAIKQ DATA SEQUENCE AVTKAGWSLE DVDIFEINEA FAAVSAAIVK ELGLNPEKVN IEGGAIALGH DATA SEQUENCE PLGASGCRIL VTLLHTLERM GRSRGVAALC IGGGMGIAMC VQRE 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 4 G C 0.000 174.907 174.900 0.011 0.000 0.946 4 G CA 0.000 45.105 45.100 0.008 0.000 0.502 5 S N 1.238 116.945 115.700 0.012 0.000 1.797 5 S HA -0.303 4.168 4.470 0.001 0.000 0.222 5 S C 0.638 175.246 174.600 0.014 0.000 0.922 5 S CA 2.513 60.720 58.200 0.013 0.000 1.575 5 S CB -0.918 62.288 63.200 0.011 0.000 2.104 5 S HN 1.178 nan 8.310 nan 0.000 0.544 6 D N 2.819 123.227 120.400 0.014 0.000 2.551 6 D HA 0.443 5.083 4.640 0.001 0.000 0.294 6 D C -2.226 174.084 176.300 0.017 0.000 1.201 6 D CA -1.764 52.245 54.000 0.014 0.000 0.941 6 D CB 1.030 41.838 40.800 0.014 0.000 0.995 6 D HN 0.394 nan 8.370 nan 0.000 0.502 7 P HA 0.065 nan 4.420 nan 0.000 0.272 7 P C -0.045 177.266 177.300 0.018 0.000 1.230 7 P CA -0.487 62.625 63.100 0.020 0.000 0.788 7 P CB 1.150 32.862 31.700 0.021 0.000 0.949 8 V N 2.160 122.086 119.914 0.020 0.000 2.572 8 V HA 0.141 4.261 4.120 0.001 0.000 0.291 8 V C 0.886 176.984 176.094 0.007 0.000 1.039 8 V CA 0.000 62.308 62.300 0.013 0.000 1.055 8 V CB 0.795 32.626 31.823 0.014 0.000 0.969 8 V HN 0.442 nan 8.190 nan 0.000 0.482 9 V N 3.647 123.562 119.914 0.001 0.000 2.864 9 V HA 0.672 4.792 4.120 0.001 0.000 0.314 9 V C -0.471 175.614 176.094 -0.015 0.000 1.073 9 V CA -0.986 61.312 62.300 -0.004 0.000 0.956 9 V CB 2.065 33.888 31.823 -0.000 0.000 1.023 9 V HN 0.614 nan 8.190 nan 0.000 0.435 10 I N 3.031 123.587 120.570 -0.023 0.000 2.304 10 I HA 0.310 4.480 4.170 0.001 0.000 0.291 10 I C 0.893 176.991 176.117 -0.031 0.000 1.018 10 I CA -0.415 60.864 61.300 -0.035 0.000 1.260 10 I CB 1.704 39.672 38.000 -0.053 0.000 1.390 10 I HN 0.516 nan 8.210 nan 0.000 0.475 11 V N 3.582 123.483 119.914 -0.021 0.000 2.649 11 V HA -0.011 4.109 4.120 0.001 0.000 0.248 11 V C 0.875 176.965 176.094 -0.007 0.000 1.054 11 V CA 0.947 63.240 62.300 -0.011 0.000 1.073 11 V CB 0.204 32.026 31.823 -0.002 0.000 0.699 11 V HN 0.774 nan 8.190 nan 0.000 0.463 12 S N -1.287 114.409 115.700 -0.007 0.000 2.579 12 S HA 0.822 5.292 4.470 0.001 0.000 0.272 12 S C -1.450 173.157 174.600 0.012 0.000 1.141 12 S CA 0.114 58.323 58.200 0.016 0.000 0.843 12 S CB 1.980 65.198 63.200 0.030 0.000 1.122 12 S HN 0.641 nan 8.310 nan 0.000 0.468 13 A N 1.314 124.175 122.820 0.068 0.000 2.512 13 A HA 0.873 5.194 4.320 0.001 0.000 0.294 13 A C -0.817 176.905 177.584 0.230 0.000 1.054 13 A CA 0.035 52.122 52.037 0.084 0.000 0.756 13 A CB 0.787 19.772 19.000 -0.026 0.000 1.293 13 A HN 1.732 nan 8.150 nan 0.000 0.395 14 A N 2.040 124.937 122.820 0.128 0.000 2.606 14 A HA 0.983 5.303 4.320 0.001 0.000 0.293 14 A C -0.609 177.009 177.584 0.057 0.000 1.082 14 A CA -0.363 51.734 52.037 0.101 0.000 0.685 14 A CB 1.406 20.447 19.000 0.068 0.000 1.284 14 A HN 1.889 nan 8.150 nan 0.000 0.408 15 R N -0.408 120.113 120.500 0.036 0.000 2.774 15 R HA 0.775 5.115 4.340 0.001 0.000 0.272 15 R C -0.296 176.006 176.300 0.003 0.000 1.000 15 R CA -0.068 56.040 56.100 0.014 0.000 0.906 15 R CB 1.183 31.482 30.300 -0.001 0.000 1.227 15 R HN 0.877 nan 8.270 nan 0.000 0.468 16 T N -0.308 114.246 114.554 -0.000 0.000 2.828 16 T HA 0.339 4.689 4.350 0.001 0.000 0.290 16 T C 1.084 175.767 174.700 -0.028 0.000 1.019 16 T CA -0.742 61.354 62.100 -0.007 0.000 1.031 16 T CB 0.309 69.175 68.868 -0.003 0.000 1.001 16 T HN 0.569 nan 8.240 nan 0.000 0.531 17 I N -0.826 119.728 120.570 -0.027 0.000 3.094 17 I HA 0.275 4.445 4.170 0.001 0.000 0.291 17 I C -0.089 176.004 176.117 -0.041 0.000 1.250 17 I CA -0.247 61.028 61.300 -0.042 0.000 1.401 17 I CB -0.189 37.800 38.000 -0.019 0.000 1.343 17 I HN 0.580 nan 8.210 nan 0.000 0.599 18 I N 3.908 124.448 120.570 -0.051 0.000 2.315 18 I HA 0.439 4.609 4.170 0.001 0.000 0.291 18 I C 0.896 177.004 176.117 -0.015 0.000 1.006 18 I CA -0.256 61.017 61.300 -0.044 0.000 1.265 18 I CB 0.853 38.815 38.000 -0.062 0.000 1.387 18 I HN 0.861 nan 8.210 nan 0.000 0.475 19 G N 3.959 112.750 108.800 -0.015 0.000 2.425 19 G HA2 0.412 4.372 3.960 0.001 0.000 0.302 19 G HA3 0.412 4.372 3.960 0.001 0.000 0.302 19 G C -0.356 174.551 174.900 0.011 0.000 1.159 19 G CA -0.316 44.792 45.100 0.015 0.000 0.865 19 G HN 0.550 nan 8.290 nan 0.000 0.515 20 S N -0.010 115.735 115.700 0.075 0.000 2.603 20 S HA 0.268 4.739 4.470 0.001 0.000 0.268 20 S C -0.024 174.668 174.600 0.153 0.000 1.317 20 S CA -0.457 57.816 58.200 0.122 0.000 1.012 20 S CB 0.673 64.004 63.200 0.219 0.000 0.926 20 S HN 0.393 nan 8.310 nan 0.000 0.539 21 F N 3.572 123.499 119.950 -0.039 0.000 2.580 21 F HA -0.036 4.491 4.527 0.000 0.000 0.398 21 F C 1.254 177.057 175.800 0.006 0.000 1.023 21 F CA -0.097 57.888 58.000 -0.026 0.000 1.188 21 F CB -1.049 37.941 39.000 -0.017 0.000 1.005 21 F HN 0.676 nan 8.300 nan 0.000 0.546 22 N N 2.278 121.032 118.700 0.090 0.000 2.741 22 N HA -0.200 4.540 4.740 0.001 0.000 0.251 22 N C 0.439 175.948 175.510 -0.003 0.000 1.112 22 N CA 0.944 53.953 53.050 -0.068 0.000 0.750 22 N CB -1.415 36.914 38.487 -0.264 0.000 1.119 22 N HN 0.762 nan 8.380 nan 0.000 0.561 23 G N -0.204 108.627 108.800 0.051 0.000 3.134 23 G HA2 0.610 4.571 3.960 0.001 0.000 0.158 23 G HA3 0.610 4.571 3.960 0.001 0.000 0.158 23 G C 1.052 175.972 174.900 0.033 0.000 1.334 23 G CA 0.390 45.517 45.100 0.045 0.000 1.001 23 G HN 0.239 nan 8.290 nan 0.000 0.600 24 A N -0.971 121.870 122.820 0.034 0.000 2.070 24 A HA 0.156 4.476 4.320 0.001 0.000 0.220 24 A C 1.989 179.584 177.584 0.019 0.000 1.159 24 A CA 1.089 53.140 52.037 0.023 0.000 0.656 24 A CB -0.354 18.659 19.000 0.022 0.000 0.800 24 A HN 0.321 nan 8.150 nan 0.000 0.453 25 L N -1.985 119.251 121.223 0.023 0.000 2.858 25 L HA 0.220 4.561 4.340 0.001 0.000 0.251 25 L C 2.382 179.266 176.870 0.023 0.000 1.149 25 L CA 0.470 55.320 54.840 0.018 0.000 0.955 25 L CB -0.022 42.045 42.059 0.013 0.000 1.289 25 L HN 0.320 nan 8.230 nan 0.000 0.542 26 A N 0.839 123.677 122.820 0.030 0.000 2.024 26 A HA -0.101 4.219 4.320 0.001 0.000 0.220 26 A C 2.278 179.877 177.584 0.024 0.000 1.164 26 A CA 1.785 53.844 52.037 0.036 0.000 0.643 26 A CB -0.220 18.798 19.000 0.030 0.000 0.806 26 A HN 0.366 nan 8.150 nan 0.000 0.451 27 A N -0.853 121.976 122.820 0.015 0.000 2.251 27 A HA 0.432 4.753 4.320 0.001 0.000 0.209 27 A C 0.539 178.128 177.584 0.008 0.000 1.187 27 A CA 0.249 52.292 52.037 0.010 0.000 0.823 27 A CB -0.176 18.827 19.000 0.005 0.000 0.846 27 A HN 0.255 nan 8.150 nan 0.000 0.486 28 V N 2.580 122.499 119.914 0.009 0.000 2.364 28 V HA 0.258 4.378 4.120 0.001 0.000 0.272 28 V C -2.439 173.655 176.094 0.000 0.000 1.036 28 V CA -2.021 60.280 62.300 0.002 0.000 0.880 28 V CB 0.971 32.793 31.823 -0.001 0.000 0.991 28 V HN 0.192 nan 8.190 nan 0.000 0.460 29 P HA 0.030 nan 4.420 nan 0.000 0.267 29 P C 1.052 178.337 177.300 -0.025 0.000 1.200 29 P CA 0.167 63.264 63.100 -0.006 0.000 0.772 29 P CB 0.963 32.657 31.700 -0.009 0.000 0.855 30 V N 2.392 122.290 119.914 -0.027 0.000 2.380 30 V HA -0.281 3.840 4.120 0.001 0.000 0.251 30 V C 2.185 178.204 176.094 -0.125 0.000 1.063 30 V CA 2.339 64.598 62.300 -0.068 0.000 1.055 30 V CB -0.980 30.797 31.823 -0.075 0.000 0.657 30 V HN 0.642 nan 8.190 nan 0.000 0.455 31 Q N -1.309 118.415 119.800 -0.128 0.000 2.297 31 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 31 Q C 1.498 177.423 176.000 -0.126 0.000 0.962 31 Q CA 1.759 57.467 55.803 -0.158 0.000 0.879 31 Q CB -0.565 28.097 28.738 -0.126 0.000 0.947 31 Q HN 0.590 nan 8.270 nan 0.000 0.462 32 D N 1.244 121.596 120.400 -0.081 0.000 2.194 32 D HA 0.046 4.687 4.640 0.001 0.000 0.204 32 D C 2.192 178.458 176.300 -0.055 0.000 0.964 32 D CA 0.487 54.450 54.000 -0.062 0.000 0.846 32 D CB -0.064 40.713 40.800 -0.039 0.000 0.962 32 D HN 0.200 nan 8.370 nan 0.000 0.490 33 L N 0.628 121.821 121.223 -0.050 0.000 2.017 33 L HA -0.067 4.273 4.340 0.001 0.000 0.208 33 L C 2.582 179.435 176.870 -0.028 0.000 1.073 33 L CA 1.513 56.336 54.840 -0.029 0.000 0.745 33 L CB -0.907 41.142 42.059 -0.017 0.000 0.894 33 L HN 0.090 nan 8.230 nan 0.000 0.432 34 G N -0.593 108.158 108.800 -0.082 0.000 2.491 34 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 34 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 34 G C 1.727 176.525 174.900 -0.169 0.000 1.180 34 G CA 1.090 46.087 45.100 -0.171 0.000 0.774 34 G HN 0.366 nan 8.290 nan 0.000 0.562 35 S N 0.213 115.820 115.700 -0.155 0.000 2.370 35 S HA -0.144 4.326 4.470 0.001 0.000 0.226 35 S C 2.523 177.086 174.600 -0.060 0.000 1.033 35 S CA 1.775 59.905 58.200 -0.116 0.000 1.011 35 S CB -0.567 62.575 63.200 -0.096 0.000 0.852 35 S HN 0.483 nan 8.310 nan 0.000 0.457 36 T N 2.405 116.936 114.554 -0.039 0.000 2.652 36 T HA -0.129 4.221 4.350 0.001 0.000 0.267 36 T C 2.156 176.860 174.700 0.007 0.000 1.039 36 T CA 1.806 63.898 62.100 -0.014 0.000 1.153 36 T CB -0.675 68.188 68.868 -0.008 0.000 0.863 36 T HN 0.461 nan 8.240 nan 0.000 0.428 37 V N -0.027 119.906 119.914 0.032 0.000 2.515 37 V HA -0.022 4.099 4.120 0.001 0.000 0.250 37 V C 2.254 178.394 176.094 0.076 0.000 1.058 37 V CA 1.210 63.550 62.300 0.066 0.000 1.064 37 V CB -1.058 30.829 31.823 0.107 0.000 0.675 37 V HN 0.453 nan 8.190 nan 0.000 0.461 38 I N 0.558 121.167 120.570 0.064 0.000 2.142 38 I HA -0.220 3.951 4.170 0.001 0.000 0.240 38 I C 2.772 178.899 176.117 0.016 0.000 1.078 38 I CA 2.396 63.725 61.300 0.048 0.000 1.343 38 I CB -0.423 37.554 38.000 -0.038 0.000 1.046 38 I HN 0.304 nan 8.210 nan 0.000 0.405 39 K N 0.871 121.267 120.400 -0.007 0.000 2.063 39 K HA -0.284 4.036 4.320 0.001 0.000 0.208 39 K C 2.102 178.703 176.600 0.002 0.000 1.048 39 K CA 1.947 58.227 56.287 -0.011 0.000 0.928 39 K CB -0.039 32.448 32.500 -0.021 0.000 0.713 39 K HN 0.089 nan 8.250 nan 0.000 0.442 40 E N 0.431 120.638 120.200 0.011 0.000 2.077 40 E HA -0.152 4.198 4.350 0.001 0.000 0.193 40 E C 1.797 178.412 176.600 0.024 0.000 0.989 40 E CA 1.723 58.133 56.400 0.016 0.000 0.800 40 E CB -0.122 29.590 29.700 0.020 0.000 0.746 40 E HN 0.284 nan 8.360 nan 0.000 0.452 41 V N -0.848 119.086 119.914 0.033 0.000 2.515 41 V HA -0.156 3.965 4.120 0.001 0.000 0.250 41 V C 2.373 178.482 176.094 0.025 0.000 1.058 41 V CA 1.495 63.816 62.300 0.035 0.000 1.064 41 V CB -0.772 31.075 31.823 0.040 0.000 0.675 41 V HN 0.207 nan 8.190 nan 0.000 0.461 42 L N -0.052 121.182 121.223 0.019 0.000 2.017 42 L HA -0.153 4.188 4.340 0.001 0.000 0.208 42 L C 2.857 179.732 176.870 0.009 0.000 1.073 42 L CA 2.339 57.186 54.840 0.011 0.000 0.745 42 L CB -0.709 41.353 42.059 0.004 0.000 0.894 42 L HN 0.328 nan 8.230 nan 0.000 0.432 43 K N 0.463 120.868 120.400 0.008 0.000 2.020 43 K HA -0.234 4.086 4.320 0.001 0.000 0.212 43 K C 2.300 178.908 176.600 0.013 0.000 1.050 43 K CA 1.754 58.046 56.287 0.008 0.000 0.929 43 K CB -0.033 32.471 32.500 0.007 0.000 0.714 43 K HN 0.219 nan 8.250 nan 0.000 0.443 44 R N -0.466 120.045 120.500 0.019 0.000 2.092 44 R HA -0.066 4.274 4.340 0.001 0.000 0.231 44 R C 2.192 178.506 176.300 0.023 0.000 1.119 44 R CA 1.117 57.232 56.100 0.025 0.000 0.970 44 R CB -0.191 30.132 30.300 0.039 0.000 0.864 44 R HN 0.225 nan 8.270 nan 0.000 0.440 45 A N 0.920 123.752 122.820 0.020 0.000 2.167 45 A HA -0.046 4.274 4.320 0.001 0.000 0.214 45 A C 0.794 178.385 177.584 0.011 0.000 1.151 45 A CA 1.015 53.061 52.037 0.015 0.000 0.735 45 A CB -0.440 18.568 19.000 0.013 0.000 0.802 45 A HN 0.461 nan 8.150 nan 0.000 0.467 46 T N -2.948 111.613 114.554 0.010 0.000 3.803 46 T HA -0.138 4.212 4.350 0.001 0.000 0.376 46 T C -0.184 174.520 174.700 0.005 0.000 0.761 46 T CA 0.499 62.603 62.100 0.007 0.000 1.962 46 T CB -2.967 65.905 68.868 0.007 0.000 1.780 46 T HN 0.717 nan 8.240 nan 0.000 0.771 47 V N 0.802 120.719 119.914 0.005 0.000 2.448 47 V HA 0.791 4.911 4.120 0.001 0.000 0.295 47 V C 0.904 176.999 176.094 0.001 0.000 1.025 47 V CA -0.723 61.580 62.300 0.004 0.000 0.859 47 V CB 1.636 33.463 31.823 0.006 0.000 0.988 47 V HN 1.017 nan 8.190 nan 0.000 0.431 48 A N 7.632 130.452 122.820 -0.000 0.000 2.425 48 A HA 0.497 4.818 4.320 0.001 0.000 0.249 48 A C -0.971 176.609 177.584 -0.006 0.000 1.084 48 A CA -1.002 51.032 52.037 -0.004 0.000 0.781 48 A CB 0.142 19.140 19.000 -0.004 0.000 1.019 48 A HN 0.692 nan 8.150 nan 0.000 0.490 49 P HA -0.208 nan 4.420 nan 0.000 0.218 49 P C 0.994 178.286 177.300 -0.014 0.000 1.148 49 P CA 1.488 64.577 63.100 -0.017 0.000 0.822 49 P CB 0.070 31.751 31.700 -0.031 0.000 0.784 50 E N 0.048 120.240 120.200 -0.013 0.000 2.478 50 E HA -0.150 4.200 4.350 0.001 0.000 0.198 50 E C 0.359 176.961 176.600 0.003 0.000 1.046 50 E CA 0.885 57.281 56.400 -0.007 0.000 0.870 50 E CB -0.778 28.918 29.700 -0.007 0.000 0.818 50 E HN 0.200 nan 8.360 nan 0.000 0.527 51 D N 0.864 121.266 120.400 0.003 0.000 2.339 51 D HA 0.086 4.726 4.640 0.001 0.000 0.217 51 D C -0.004 176.303 176.300 0.012 0.000 1.050 51 D CA 0.001 54.007 54.000 0.008 0.000 0.856 51 D CB 0.604 41.408 40.800 0.007 0.000 0.922 51 D HN -0.015 nan 8.370 nan 0.000 0.518 52 V N 1.331 121.253 119.914 0.012 0.000 2.508 52 V HA 0.021 4.141 4.120 0.001 0.000 0.281 52 V C 1.463 177.573 176.094 0.028 0.000 1.041 52 V CA 0.126 62.437 62.300 0.018 0.000 1.016 52 V CB 1.615 33.446 31.823 0.014 0.000 0.984 52 V HN 0.027 nan 8.190 nan 0.000 0.478 53 S N 3.306 119.027 115.700 0.035 0.000 2.395 53 S HA 0.004 4.474 4.470 0.001 0.000 0.225 53 S C 0.529 175.171 174.600 0.070 0.000 1.027 53 S CA 0.872 59.102 58.200 0.048 0.000 0.965 53 S CB -0.109 63.120 63.200 0.049 0.000 0.812 53 S HN 0.987 nan 8.310 nan 0.000 0.482 54 E N -0.996 119.247 120.200 0.072 0.000 2.403 54 E HA 0.488 4.838 4.350 0.001 0.000 0.280 54 E C -1.999 174.633 176.600 0.053 0.000 1.101 54 E CA -0.912 55.548 56.400 0.101 0.000 0.856 54 E CB 1.158 30.972 29.700 0.190 0.000 1.303 54 E HN -0.104 nan 8.360 nan 0.000 0.441 55 V N 1.891 121.821 119.914 0.026 0.000 2.540 55 V HA 0.540 4.660 4.120 0.001 0.000 0.302 55 V C -0.422 175.551 176.094 -0.202 0.000 1.035 55 V CA -0.550 61.732 62.300 -0.030 0.000 0.873 55 V CB 1.256 33.057 31.823 -0.037 0.000 0.992 55 V HN 0.566 nan 8.190 nan 0.000 0.428 56 I N 4.903 125.350 120.570 -0.205 0.000 2.478 56 I HA 0.528 4.699 4.170 0.001 0.000 0.287 56 I C -1.161 174.858 176.117 -0.164 0.000 1.042 56 I CA -0.179 60.795 61.300 -0.543 0.000 1.067 56 I CB 1.813 39.389 38.000 -0.706 0.000 1.233 56 I HN 0.421 nan 8.210 nan 0.000 0.431 57 F N 2.683 122.376 119.950 -0.429 0.000 2.540 57 F HA 0.621 5.148 4.527 0.000 0.000 0.317 57 F C 0.876 176.568 175.800 -0.180 0.000 1.104 57 F CA -0.812 57.041 58.000 -0.246 0.000 0.913 57 F CB 2.333 41.224 39.000 -0.181 0.000 1.170 57 F HN 0.463 nan 8.300 nan 0.000 0.450 58 G N 1.161 109.914 108.800 -0.078 0.000 2.442 58 G HA2 0.395 4.355 3.960 0.001 0.000 0.249 58 G HA3 0.395 4.355 3.960 0.001 0.000 0.249 58 G C -1.813 173.176 174.900 0.149 0.000 1.263 58 G CA 0.206 45.306 45.100 0.000 0.000 0.846 58 G HN 0.747 nan 8.290 nan 0.000 0.555 59 H N 1.002 120.079 119.070 0.011 0.000 3.184 59 H HA 0.276 4.833 4.556 0.000 0.000 0.317 59 H C -0.130 175.199 175.328 0.000 0.000 1.065 59 H CA -0.629 55.430 56.048 0.019 0.000 1.462 59 H CB 1.128 30.917 29.762 0.044 0.000 2.037 59 H HN 0.156 nan 8.280 nan 0.000 0.431 60 V N 4.243 124.059 119.914 -0.163 0.000 2.521 60 V HA 0.137 4.258 4.120 0.001 0.000 0.239 60 V C 0.982 176.894 176.094 -0.304 0.000 1.053 60 V CA 0.696 62.879 62.300 -0.195 0.000 1.073 60 V CB 0.041 31.792 31.823 -0.120 0.000 0.746 60 V HN 0.598 nan 8.190 nan 0.000 0.476 61 L N 1.061 122.077 121.223 -0.345 0.000 2.360 61 L HA 0.511 4.851 4.340 0.001 0.000 0.265 61 L C 0.839 177.521 176.870 -0.314 0.000 1.066 61 L CA -0.085 54.609 54.840 -0.243 0.000 0.929 61 L CB 0.852 42.835 42.059 -0.127 0.000 1.306 61 L HN 0.211 nan 8.230 nan 0.000 0.434 62 A N 1.847 124.459 122.820 -0.347 0.000 2.348 62 A HA 0.457 4.777 4.320 0.001 0.000 0.224 62 A C 1.269 178.838 177.584 -0.025 0.000 1.227 62 A CA 0.057 51.956 52.037 -0.230 0.000 0.885 62 A CB 0.191 19.038 19.000 -0.255 0.000 0.933 62 A HN 0.590 nan 8.150 nan 0.000 0.506 63 A N -0.293 122.503 122.820 -0.039 0.000 2.548 63 A HA 0.426 4.746 4.320 0.001 0.000 0.247 63 A C 1.625 179.224 177.584 0.025 0.000 1.067 63 A CA 0.748 52.783 52.037 -0.003 0.000 0.757 63 A CB -0.772 18.222 19.000 -0.010 0.000 0.996 63 A HN 1.954 nan 8.150 nan 0.000 0.504 64 G N 0.806 109.626 108.800 0.033 0.000 2.179 64 G HA2 -0.304 3.657 3.960 0.001 0.000 0.260 64 G HA3 -0.304 3.657 3.960 0.001 0.000 0.260 64 G C 0.804 175.733 174.900 0.047 0.000 0.977 64 G CA 0.488 45.611 45.100 0.039 0.000 0.641 64 G HN 1.117 nan 8.290 nan 0.000 0.533 65 C N 1.083 120.422 119.300 0.064 0.000 2.626 65 C HA 0.589 5.049 4.460 0.001 0.000 0.266 65 C C 1.968 176.990 174.990 0.054 0.000 1.317 65 C CA 0.722 59.786 59.018 0.076 0.000 1.716 65 C CB -1.371 26.460 27.740 0.151 0.000 1.819 65 C HN 2.083 nan 8.230 nan 0.000 0.578 66 G N 0.364 109.192 108.800 0.047 0.000 2.728 66 G HA2 -0.145 3.815 3.960 0.001 0.000 0.294 66 G HA3 -0.145 3.815 3.960 0.001 0.000 0.294 66 G C -0.786 174.139 174.900 0.041 0.000 1.342 66 G CA -0.771 44.350 45.100 0.036 0.000 0.866 66 G HN 0.378 nan 8.290 nan 0.000 0.534 67 Q N 0.364 120.183 119.800 0.033 0.000 2.289 67 Q HA 0.222 4.562 4.340 0.001 0.000 0.273 67 Q C 1.013 177.039 176.000 0.044 0.000 1.029 67 Q CA 0.455 56.280 55.803 0.036 0.000 0.896 67 Q CB 0.251 29.005 28.738 0.026 0.000 1.182 67 Q HN 0.856 nan 8.270 nan 0.000 0.385 68 N N 3.821 122.556 118.700 0.059 0.000 2.652 68 N HA -0.167 4.574 4.740 0.001 0.000 0.281 68 N C -2.224 173.312 175.510 0.043 0.000 1.084 68 N CA -0.022 53.071 53.050 0.071 0.000 0.775 68 N CB -0.047 38.486 38.487 0.076 0.000 0.923 68 N HN 0.412 nan 8.380 nan 0.000 0.558 69 P HA -0.122 nan 4.420 nan 0.000 0.221 69 P C 1.451 178.681 177.300 -0.117 0.000 1.145 69 P CA 0.643 63.725 63.100 -0.029 0.000 0.795 69 P CB 0.238 31.926 31.700 -0.020 0.000 0.775 70 V N 0.165 120.021 119.914 -0.097 0.000 2.427 70 V HA -0.197 3.924 4.120 0.001 0.000 0.248 70 V C 2.737 178.730 176.094 -0.167 0.000 1.051 70 V CA 1.896 64.074 62.300 -0.203 0.000 1.048 70 V CB -1.079 30.662 31.823 -0.137 0.000 0.666 70 V HN 0.062 nan 8.190 nan 0.000 0.456 71 R N 0.471 120.938 120.500 -0.054 0.000 2.075 71 R HA -0.146 4.194 4.340 0.001 0.000 0.232 71 R C 2.259 178.544 176.300 -0.026 0.000 1.126 71 R CA 1.657 57.750 56.100 -0.010 0.000 0.963 71 R CB -0.454 29.876 30.300 0.050 0.000 0.858 71 R HN 0.603 nan 8.270 nan 0.000 0.435 72 Q N -0.388 119.390 119.800 -0.037 0.000 2.050 72 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 72 Q C 2.188 178.131 176.000 -0.096 0.000 0.980 72 Q CA 1.775 57.553 55.803 -0.041 0.000 0.840 72 Q CB -0.284 28.430 28.738 -0.039 0.000 0.898 72 Q HN 0.482 nan 8.270 nan 0.000 0.424 73 A N 0.644 123.363 122.820 -0.168 0.000 1.883 73 A HA -0.239 4.082 4.320 0.001 0.000 0.217 73 A C 2.227 179.679 177.584 -0.221 0.000 1.186 73 A CA 1.837 53.731 52.037 -0.238 0.000 0.624 73 A CB -0.937 17.814 19.000 -0.415 0.000 0.822 73 A HN 0.334 nan 8.150 nan 0.000 0.444 74 S N -0.734 114.835 115.700 -0.218 0.000 2.365 74 S HA -0.156 4.314 4.470 0.001 0.000 0.225 74 S C 1.899 176.428 174.600 -0.118 0.000 1.039 74 S CA 1.904 60.010 58.200 -0.157 0.000 1.033 74 S CB -0.502 62.632 63.200 -0.110 0.000 0.887 74 S HN 0.308 nan 8.310 nan 0.000 0.447 75 V N 1.271 121.125 119.914 -0.100 0.000 2.453 75 V HA -0.001 4.119 4.120 0.001 0.000 0.247 75 V C 2.676 178.695 176.094 -0.125 0.000 1.048 75 V CA 1.667 63.889 62.300 -0.132 0.000 1.049 75 V CB -1.364 30.396 31.823 -0.105 0.000 0.672 75 V HN 0.639 nan 8.190 nan 0.000 0.457 76 G N -0.382 108.359 108.800 -0.099 0.000 2.471 76 G HA2 -0.114 3.846 3.960 0.001 0.000 0.219 76 G HA3 -0.114 3.846 3.960 0.001 0.000 0.219 76 G C 1.488 176.337 174.900 -0.085 0.000 1.125 76 G CA 0.812 45.861 45.100 -0.085 0.000 0.775 76 G HN 0.607 nan 8.290 nan 0.000 0.548 77 A N -0.456 122.307 122.820 -0.095 0.000 2.238 77 A HA 0.476 4.796 4.320 0.001 0.000 0.208 77 A C 1.983 179.523 177.584 -0.073 0.000 1.177 77 A CA 1.258 53.248 52.037 -0.078 0.000 0.804 77 A CB -0.339 18.613 19.000 -0.081 0.000 0.823 77 A HN 1.507 nan 8.150 nan 0.000 0.482 78 G N -0.907 107.838 108.800 -0.093 0.000 2.157 78 G HA2 -0.200 3.760 3.960 0.001 0.000 0.239 78 G HA3 -0.200 3.760 3.960 0.001 0.000 0.239 78 G C 0.110 174.950 174.900 -0.100 0.000 0.982 78 G CA 0.084 45.126 45.100 -0.096 0.000 0.650 78 G HN 0.436 nan 8.290 nan 0.000 0.527 79 I N 2.280 122.790 120.570 -0.100 0.000 2.556 79 I HA 0.216 4.386 4.170 0.001 0.000 0.284 79 I C -1.363 174.678 176.117 -0.127 0.000 1.114 79 I CA -1.876 59.373 61.300 -0.085 0.000 1.418 79 I CB 0.806 38.768 38.000 -0.062 0.000 1.394 79 I HN -0.077 nan 8.210 nan 0.000 0.552 80 P HA -0.028 nan 4.420 nan 0.000 0.271 80 P C 0.197 177.456 177.300 -0.067 0.000 1.233 80 P CA 0.142 63.168 63.100 -0.123 0.000 0.789 80 P CB 0.343 32.020 31.700 -0.039 0.000 0.951 81 Y N -0.039 120.261 120.300 -0.000 0.000 2.315 81 Y HA -0.222 4.329 4.550 0.001 0.000 0.288 81 Y C 2.539 178.444 175.900 0.009 0.000 1.154 81 Y CA 1.214 59.316 58.100 0.003 0.000 1.229 81 Y CB -0.393 38.068 38.460 0.002 0.000 0.980 81 Y HN 0.376 nan 8.280 nan 0.000 0.540 82 S N -0.598 115.198 115.700 0.159 0.000 2.474 82 S HA -0.049 4.421 4.470 0.001 0.000 0.235 82 S C 0.550 175.197 174.600 0.079 0.000 0.997 82 S CA 0.209 58.468 58.200 0.098 0.000 0.949 82 S CB -0.803 62.438 63.200 0.068 0.000 0.766 82 S HN 0.016 nan 8.310 nan 0.000 0.517 83 V N 4.187 124.147 119.914 0.076 0.000 2.348 83 V HA 0.378 4.499 4.120 0.001 0.000 0.270 83 V C -2.313 173.835 176.094 0.090 0.000 1.037 83 V CA -2.056 60.284 62.300 0.067 0.000 0.872 83 V CB 0.585 32.434 31.823 0.042 0.000 1.002 83 V HN 0.239 nan 8.190 nan 0.000 0.464 84 P HA 0.402 nan 4.420 nan 0.000 0.269 84 P C -0.621 176.796 177.300 0.196 0.000 1.209 84 P CA 0.111 63.302 63.100 0.152 0.000 0.776 84 P CB 0.711 32.505 31.700 0.157 0.000 0.876 85 A N 3.192 126.150 122.820 0.230 0.000 2.459 85 A HA 0.793 5.114 4.320 0.001 0.000 0.296 85 A C -1.611 176.136 177.584 0.271 0.000 1.039 85 A CA -0.498 51.638 52.037 0.164 0.000 0.698 85 A CB 1.363 20.390 19.000 0.045 0.000 1.261 85 A HN 0.674 nan 8.150 nan 0.000 0.405 86 W N 0.589 121.909 121.300 0.035 0.000 2.989 86 W HA 0.731 5.391 4.660 0.001 0.000 0.344 86 W C -0.866 175.697 176.519 0.074 0.000 1.233 86 W CA -0.158 57.213 57.345 0.043 0.000 1.187 86 W CB 0.768 30.249 29.460 0.035 0.000 1.443 86 W HN 1.329 nan 8.180 nan 0.000 0.573 87 S N 1.039 116.895 115.700 0.260 0.000 2.566 87 S HA 0.839 5.310 4.470 0.001 0.000 0.298 87 S C -0.412 174.325 174.600 0.228 0.000 1.083 87 S CA -0.335 57.933 58.200 0.114 0.000 0.978 87 S CB 1.576 64.879 63.200 0.172 0.000 1.073 87 S HN 1.192 nan 8.310 nan 0.000 0.491 88 C N 1.306 120.659 119.300 0.088 0.000 2.707 88 C HA 0.874 5.334 4.460 0.001 0.000 0.313 88 C C -0.911 174.125 174.990 0.076 0.000 1.209 88 C CA -0.570 58.531 59.018 0.138 0.000 1.635 88 C CB 1.386 29.192 27.740 0.110 0.000 2.206 88 C HN 0.977 nan 8.230 nan 0.000 0.485 89 Q N 2.675 122.518 119.800 0.072 0.000 2.292 89 Q HA 0.569 4.909 4.340 0.001 0.000 0.270 89 Q C -1.528 174.492 176.000 0.034 0.000 1.024 89 Q CA -0.215 55.608 55.803 0.034 0.000 0.768 89 Q CB 1.803 30.549 28.738 0.014 0.000 1.250 89 Q HN 1.098 nan 8.270 nan 0.000 0.447 90 M N 6.758 126.370 119.600 0.021 0.000 3.600 90 M HA 0.284 4.765 4.480 0.001 0.000 0.397 90 M C -0.639 175.673 176.300 0.020 0.000 1.860 90 M CA -0.190 55.126 55.300 0.028 0.000 0.514 90 M CB 0.291 32.910 32.600 0.032 0.000 1.473 90 M HN 0.760 nan 8.290 nan 0.000 0.485 94 S N 0.895 116.588 115.700 -0.012 0.000 2.372 94 S HA -0.124 4.346 4.470 0.001 0.000 0.227 94 S C 2.465 177.018 174.600 -0.079 0.000 1.044 94 S CA 2.032 60.213 58.200 -0.031 0.000 1.050 94 S CB -0.482 62.711 63.200 -0.013 0.000 0.901 94 S HN 0.715 nan 8.310 nan 0.000 0.447 95 G N 0.763 109.511 108.800 -0.087 0.000 2.422 95 G HA2 -0.110 3.850 3.960 0.001 0.000 0.218 95 G HA3 -0.110 3.850 3.960 0.001 0.000 0.218 95 G C 1.342 176.133 174.900 -0.181 0.000 1.140 95 G CA 0.629 45.634 45.100 -0.158 0.000 0.775 95 G HN 0.399 nan 8.290 nan 0.000 0.545 96 L N 0.374 121.520 121.223 -0.129 0.000 2.162 96 L HA 0.292 4.632 4.340 0.001 0.000 0.205 96 L C 2.556 179.310 176.870 -0.194 0.000 1.086 96 L CA 1.622 56.378 54.840 -0.139 0.000 0.778 96 L CB -0.428 41.585 42.059 -0.077 0.000 0.928 96 L HN 0.142 nan 8.230 nan 0.000 0.446 97 K N 0.364 120.666 120.400 -0.163 0.000 2.103 97 K HA -0.123 4.198 4.320 0.001 0.000 0.207 97 K C 1.990 178.442 176.600 -0.248 0.000 1.048 97 K CA 1.689 57.855 56.287 -0.201 0.000 0.930 97 K CB -0.617 31.826 32.500 -0.095 0.000 0.716 97 K HN 0.362 nan 8.250 nan 0.000 0.444 98 A N 0.044 122.724 122.820 -0.233 0.000 1.917 98 A HA -0.151 4.169 4.320 0.001 0.000 0.219 98 A C 2.322 179.733 177.584 -0.288 0.000 1.182 98 A CA 2.111 53.978 52.037 -0.283 0.000 0.633 98 A CB -0.846 17.957 19.000 -0.329 0.000 0.819 98 A HN 0.139 nan 8.150 nan 0.000 0.448 99 V N -0.912 118.829 119.914 -0.287 0.000 2.358 99 V HA -0.295 3.825 4.120 0.001 0.000 0.246 99 V C 2.640 178.534 176.094 -0.334 0.000 1.047 99 V CA 1.882 64.022 62.300 -0.267 0.000 1.035 99 V CB -1.244 30.441 31.823 -0.230 0.000 0.658 99 V HN 0.712 nan 8.190 nan 0.000 0.452 100 C N -0.113 118.882 119.300 -0.509 0.000 2.413 100 C HA -0.137 4.324 4.460 0.001 0.000 0.276 100 C C 2.682 177.303 174.990 -0.614 0.000 1.248 100 C CA 0.850 59.317 59.018 -0.919 0.000 1.742 100 C CB -1.173 25.604 27.740 -1.605 0.000 2.017 100 C HN 0.519 nan 8.230 nan 0.000 0.481 101 L N 1.029 122.025 121.223 -0.378 0.000 2.046 101 L HA -0.175 4.165 4.340 0.001 0.000 0.208 101 L C 2.902 179.742 176.870 -0.049 0.000 1.077 101 L CA 1.602 56.365 54.840 -0.128 0.000 0.747 101 L CB -0.775 41.277 42.059 -0.012 0.000 0.896 101 L HN 0.353 nan 8.230 nan 0.000 0.432 102 A N -0.298 122.461 122.820 -0.102 0.000 1.883 102 A HA -0.175 4.145 4.320 0.001 0.000 0.217 102 A C 2.342 179.901 177.584 -0.042 0.000 1.186 102 A CA 1.860 53.863 52.037 -0.056 0.000 0.624 102 A CB -0.912 18.032 19.000 -0.094 0.000 0.822 102 A HN 0.190 nan 8.150 nan 0.000 0.444 103 V N -0.009 119.850 119.914 -0.091 0.000 2.324 103 V HA -0.375 3.746 4.120 0.001 0.000 0.250 103 V C 2.696 178.810 176.094 0.033 0.000 1.060 103 V CA 2.482 64.759 62.300 -0.037 0.000 1.042 103 V CB -0.897 30.881 31.823 -0.075 0.000 0.650 103 V HN 0.666 nan 8.190 nan 0.000 0.450 104 Q N 0.053 119.877 119.800 0.041 0.000 2.046 104 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 104 Q C 2.482 178.529 176.000 0.078 0.000 0.975 104 Q CA 1.984 57.847 55.803 0.100 0.000 0.836 104 Q CB -0.284 28.532 28.738 0.130 0.000 0.896 104 Q HN 0.823 nan 8.270 nan 0.000 0.428 105 S N 0.359 116.102 115.700 0.072 0.000 2.402 105 S HA -0.096 4.375 4.470 0.001 0.000 0.229 105 S C 1.906 176.540 174.600 0.056 0.000 1.021 105 S CA 0.795 59.040 58.200 0.075 0.000 0.974 105 S CB -0.334 62.928 63.200 0.104 0.000 0.800 105 S HN 0.249 nan 8.310 nan 0.000 0.484 106 I N 2.198 122.794 120.570 0.045 0.000 2.333 106 I HA 0.032 4.202 4.170 0.001 0.000 0.246 106 I C 2.916 179.055 176.117 0.037 0.000 1.106 106 I CA 0.945 62.266 61.300 0.035 0.000 1.411 106 I CB -0.980 37.034 38.000 0.023 0.000 1.082 106 I HN 0.439 nan 8.210 nan 0.000 0.420 107 G N 0.912 109.739 108.800 0.045 0.000 2.442 107 G HA2 -0.253 3.708 3.960 0.001 0.000 0.219 107 G HA3 -0.253 3.708 3.960 0.001 0.000 0.219 107 G C 1.691 176.617 174.900 0.043 0.000 1.141 107 G CA 0.620 45.749 45.100 0.048 0.000 0.763 107 G HN 0.394 nan 8.290 nan 0.000 0.554 108 I N 0.131 120.729 120.570 0.047 0.000 3.578 108 I HA 0.212 4.382 4.170 0.001 0.000 0.295 108 I C 1.772 177.908 176.117 0.032 0.000 1.280 108 I CA 0.852 62.176 61.300 0.039 0.000 1.347 108 I CB 0.123 38.149 38.000 0.044 0.000 1.051 108 I HN 0.350 nan 8.210 nan 0.000 0.460 109 G N 0.809 109.629 108.800 0.032 0.000 2.144 109 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 109 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 109 G C 0.403 175.320 174.900 0.029 0.000 0.988 109 G CA 0.395 45.512 45.100 0.027 0.000 0.659 109 G HN 0.359 nan 8.290 nan 0.000 0.522 110 D N 0.237 120.658 120.400 0.035 0.000 2.183 110 D HA 0.184 4.825 4.640 0.001 0.000 0.205 110 D C 1.255 177.581 176.300 0.043 0.000 0.962 110 D CA 1.285 55.307 54.000 0.037 0.000 0.849 110 D CB 0.239 41.064 40.800 0.041 0.000 0.978 110 D HN 0.362 nan 8.370 nan 0.000 0.488 111 S N -1.027 114.701 115.700 0.047 0.000 2.532 111 S HA 0.329 4.799 4.470 0.001 0.000 0.301 111 S C 0.773 175.395 174.600 0.035 0.000 1.083 111 S CA -0.628 57.601 58.200 0.048 0.000 1.025 111 S CB 2.591 65.828 63.200 0.062 0.000 1.056 111 S HN -0.025 nan 8.310 nan 0.000 0.494 112 S N 1.527 117.245 115.700 0.031 0.000 2.452 112 S HA 0.405 4.875 4.470 0.001 0.000 0.225 112 S C 0.221 174.833 174.600 0.020 0.000 1.057 112 S CA 0.147 58.361 58.200 0.023 0.000 0.949 112 S CB -0.018 63.195 63.200 0.021 0.000 0.836 112 S HN 0.646 nan 8.310 nan 0.000 0.518 113 I N 1.803 122.386 120.570 0.022 0.000 2.582 113 I HA 0.519 4.690 4.170 0.001 0.000 0.292 113 I C -1.584 174.544 176.117 0.020 0.000 1.066 113 I CA -0.887 60.423 61.300 0.017 0.000 1.053 113 I CB 2.374 40.382 38.000 0.014 0.000 1.241 113 I HN -0.075 nan 8.210 nan 0.000 0.421 114 V N 5.951 125.872 119.914 0.011 0.000 2.760 114 V HA 0.397 4.518 4.120 0.001 0.000 0.309 114 V C -0.370 175.724 176.094 -0.001 0.000 1.077 114 V CA -0.773 61.532 62.300 0.008 0.000 0.910 114 V CB 2.478 34.302 31.823 0.002 0.000 1.008 114 V HN 0.393 nan 8.190 nan 0.000 0.424 115 V N 3.791 123.714 119.914 0.015 0.000 2.333 115 V HA 0.781 4.901 4.120 0.001 0.000 0.274 115 V C 0.495 176.609 176.094 0.034 0.000 1.028 115 V CA -0.163 62.160 62.300 0.037 0.000 0.851 115 V CB 1.156 33.029 31.823 0.083 0.000 1.000 115 V HN 1.037 nan 8.190 nan 0.000 0.456 116 A N 3.926 126.706 122.820 -0.066 0.000 2.330 116 A HA 1.059 5.380 4.320 0.001 0.000 0.329 116 A C 0.313 177.608 177.584 -0.481 0.000 1.135 116 A CA 0.101 52.009 52.037 -0.216 0.000 0.817 116 A CB 1.890 20.758 19.000 -0.220 0.000 1.269 116 A HN 1.285 nan 8.150 nan 0.000 0.469 117 G N -1.321 106.912 108.800 -0.945 0.000 2.341 117 G HA2 0.649 4.610 3.960 0.001 0.000 0.299 117 G HA3 0.649 4.610 3.960 0.001 0.000 0.299 117 G C -0.517 173.612 174.900 -1.285 0.000 1.274 117 G CA 0.272 44.580 45.100 -1.321 0.000 0.853 117 G HN 1.801 nan 8.290 nan 0.000 0.493 118 G N -0.894 107.337 108.800 -0.948 0.000 2.704 118 G HA2 0.813 4.774 3.960 0.001 0.000 0.293 118 G HA3 0.813 4.774 3.960 0.001 0.000 0.293 118 G C -0.711 174.181 174.900 -0.013 0.000 1.421 118 G CA 0.014 44.915 45.100 -0.332 0.000 0.870 118 G HN 1.650 nan 8.290 nan 0.000 0.492 119 M N -0.262 119.409 119.600 0.119 0.000 2.414 119 M HA 0.884 5.364 4.480 0.001 0.000 0.287 119 M C -2.004 174.345 176.300 0.083 0.000 1.181 119 M CA -0.888 54.473 55.300 0.101 0.000 0.933 119 M CB 2.757 35.421 32.600 0.107 0.000 1.732 119 M HN 0.468 nan 8.290 nan 0.000 0.486 120 E N 1.822 122.050 120.200 0.048 0.000 2.397 120 E HA 0.392 4.743 4.350 0.001 0.000 0.293 120 E C -2.101 174.518 176.600 0.031 0.000 0.930 120 E CA -0.259 56.189 56.400 0.080 0.000 0.793 120 E CB 1.656 31.372 29.700 0.025 0.000 1.259 120 E HN 0.727 nan 8.360 nan 0.000 0.406 121 N N 5.275 124.010 118.700 0.058 0.000 2.706 121 N HA 0.214 4.954 4.740 0.001 0.000 0.240 121 N C 0.269 175.810 175.510 0.052 0.000 1.039 121 N CA -0.069 53.007 53.050 0.044 0.000 0.888 121 N CB 0.566 39.079 38.487 0.044 0.000 1.128 121 N HN 0.678 nan 8.380 nan 0.000 0.512 122 M N 0.433 120.042 119.600 0.015 0.000 2.254 122 M HA -0.083 4.398 4.480 0.001 0.000 0.265 122 M C 1.741 178.148 176.300 0.178 0.000 1.066 122 M CA 0.906 56.206 55.300 -0.000 0.000 1.123 122 M CB -0.011 32.485 32.600 -0.174 0.000 1.388 122 M HN 0.305 nan 8.290 nan 0.000 0.425 123 S N 0.782 116.640 115.700 0.263 0.000 2.387 123 S HA -0.129 4.341 4.470 0.001 0.000 0.230 123 S C 1.717 176.428 174.600 0.185 0.000 1.035 123 S CA 1.302 59.702 58.200 0.334 0.000 1.014 123 S CB -0.245 63.071 63.200 0.193 0.000 0.836 123 S HN 0.457 nan 8.310 nan 0.000 0.466 124 K N 0.955 121.431 120.400 0.126 0.000 2.404 124 K HA 0.295 4.615 4.320 0.001 0.000 0.194 124 K C 0.395 177.048 176.600 0.087 0.000 1.023 124 K CA -0.117 56.223 56.287 0.089 0.000 1.094 124 K CB 0.183 32.723 32.500 0.066 0.000 0.841 124 K HN 0.280 nan 8.250 nan 0.000 0.523 125 A N 3.948 126.824 122.820 0.094 0.000 2.524 125 A HA 0.141 4.461 4.320 0.001 0.000 0.250 125 A C -2.002 175.618 177.584 0.060 0.000 1.078 125 A CA -0.938 51.131 52.037 0.053 0.000 0.761 125 A CB -0.198 18.814 19.000 0.020 0.000 1.012 125 A HN 0.037 nan 8.150 nan 0.000 0.500 126 P HA 0.350 nan 4.420 nan 0.000 0.278 126 P C -0.737 176.586 177.300 0.037 0.000 1.266 126 P CA -0.294 62.859 63.100 0.089 0.000 0.807 126 P CB 0.596 32.340 31.700 0.074 0.000 1.094 127 H N -1.061 118.034 119.070 0.040 0.000 2.505 127 H HA 0.491 5.047 4.556 0.000 0.000 0.351 127 H C -0.089 175.260 175.328 0.034 0.000 1.151 127 H CA -0.157 55.915 56.048 0.039 0.000 1.339 127 H CB 0.360 30.146 29.762 0.039 0.000 1.483 127 H HN 0.171 nan 8.280 nan 0.000 0.558 128 L N 1.166 122.472 121.223 0.138 0.000 2.365 128 L HA 0.759 5.100 4.340 0.001 0.000 0.273 128 L C -0.436 176.495 176.870 0.101 0.000 1.000 128 L CA -1.097 53.798 54.840 0.092 0.000 0.819 128 L CB 1.816 43.907 42.059 0.054 0.000 1.284 128 L HN 0.613 nan 8.230 nan 0.000 0.418 129 A N 1.987 124.864 122.820 0.094 0.000 2.398 129 A HA 0.544 4.864 4.320 0.001 0.000 0.301 129 A C -1.751 175.907 177.584 0.123 0.000 1.041 129 A CA -0.420 51.673 52.037 0.093 0.000 0.711 129 A CB 1.186 20.219 19.000 0.055 0.000 1.240 129 A HN 0.591 nan 8.150 nan 0.000 0.420 130 Y N 3.563 123.872 120.300 0.015 0.000 2.477 130 Y HA 0.519 5.069 4.550 0.000 0.000 0.349 130 Y C 0.056 175.961 175.900 0.009 0.000 0.977 130 Y CA -0.653 57.453 58.100 0.009 0.000 1.214 130 Y CB 0.604 39.068 38.460 0.006 0.000 1.124 130 Y HN 0.524 nan 8.280 nan 0.000 0.521 131 L N 5.650 126.582 121.223 -0.484 0.000 2.858 131 L HA 0.296 4.637 4.340 0.001 0.000 0.251 131 L C 1.844 178.433 176.870 -0.467 0.000 1.149 131 L CA -0.003 54.610 54.840 -0.378 0.000 0.955 131 L CB 0.127 42.082 42.059 -0.173 0.000 1.289 131 L HN 0.549 nan 8.230 nan 0.000 0.542 132 R N -0.056 119.985 120.500 -0.764 0.000 2.073 132 R HA -0.058 4.283 4.340 0.001 0.000 0.229 132 R C 2.118 178.244 176.300 -0.291 0.000 1.120 132 R CA 1.702 57.549 56.100 -0.421 0.000 0.967 132 R CB -0.333 29.808 30.300 -0.264 0.000 0.862 132 R HN 0.170 nan 8.270 nan 0.000 0.436 133 T N -0.428 113.909 114.554 -0.361 0.000 2.643 133 T HA 0.014 4.364 4.350 0.001 0.000 0.264 133 T C 0.788 175.434 174.700 -0.091 0.000 1.045 133 T CA 1.556 63.600 62.100 -0.092 0.000 1.155 133 T CB -0.292 68.612 68.868 0.060 0.000 0.863 133 T HN 0.603 nan 8.240 nan 0.000 0.420 134 G N 0.259 108.984 108.800 -0.124 0.000 3.367 134 G HA2 -0.006 3.954 3.960 0.001 0.000 0.686 134 G HA3 -0.006 3.954 3.960 0.001 0.000 0.686 134 G C -0.699 174.179 174.900 -0.037 0.000 1.146 134 G CA -0.417 44.636 45.100 -0.077 0.000 0.913 134 G HN 0.604 nan 8.290 nan 0.000 0.554 135 V N 4.732 124.629 119.914 -0.030 0.000 2.320 135 V HA 0.512 4.632 4.120 0.001 0.000 0.265 135 V C 1.678 177.768 176.094 -0.005 0.000 1.048 135 V CA 0.595 62.892 62.300 -0.006 0.000 0.865 135 V CB 0.876 32.700 31.823 0.001 0.000 1.043 135 V HN 0.992 nan 8.190 nan 0.000 0.474 136 K N 5.308 125.708 120.400 -0.000 0.000 2.020 136 K HA -0.100 4.220 4.320 0.001 0.000 0.212 136 K C 0.391 176.991 176.600 0.001 0.000 1.050 136 K CA 2.064 58.351 56.287 -0.000 0.000 0.929 136 K CB 0.092 32.594 32.500 0.003 0.000 0.714 136 K HN 0.627 nan 8.250 nan 0.000 0.443 137 I N -1.054 119.518 120.570 0.005 0.000 2.685 137 I HA 0.406 4.576 4.170 0.001 0.000 0.289 137 I C -1.056 175.066 176.117 0.008 0.000 1.292 137 I CA 0.440 61.743 61.300 0.005 0.000 1.050 137 I CB 1.820 39.823 38.000 0.005 0.000 1.301 137 I HN 0.451 nan 8.210 nan 0.000 0.425 138 G N 5.161 113.966 108.800 0.008 0.000 2.340 138 G HA2 0.103 4.063 3.960 0.001 0.000 0.527 138 G HA3 0.103 4.063 3.960 0.001 0.000 0.527 138 G C -1.479 173.428 174.900 0.013 0.000 1.381 138 G CA -0.664 44.443 45.100 0.011 0.000 1.001 138 G HN 0.814 nan 8.290 nan 0.000 0.626 139 E N -0.242 119.967 120.200 0.015 0.000 2.383 139 E HA 0.500 4.850 4.350 0.001 0.000 0.264 139 E C -0.287 176.327 176.600 0.023 0.000 1.050 139 E CA -0.211 56.199 56.400 0.017 0.000 0.896 139 E CB 0.730 30.441 29.700 0.018 0.000 0.982 139 E HN 0.537 nan 8.360 nan 0.000 0.424 140 M N 4.583 124.198 119.600 0.025 0.000 2.393 140 M HA 0.403 4.883 4.480 0.001 0.000 0.299 140 M C -2.462 173.863 176.300 0.041 0.000 1.103 140 M CA -2.005 53.316 55.300 0.036 0.000 0.910 140 M CB 2.013 34.633 32.600 0.033 0.000 1.659 140 M HN 0.409 nan 8.290 nan 0.000 0.445 141 P HA 0.291 nan 4.420 nan 0.000 0.279 141 P C -1.512 175.832 177.300 0.074 0.000 1.239 141 P CA -0.326 62.810 63.100 0.061 0.000 0.789 141 P CB 0.724 32.462 31.700 0.063 0.000 0.933 142 L N 2.279 123.553 121.223 0.085 0.000 2.272 142 L HA 0.234 4.574 4.340 0.001 0.000 0.284 142 L C 0.630 177.619 176.870 0.198 0.000 1.045 142 L CA -0.176 54.738 54.840 0.123 0.000 0.842 142 L CB 0.686 42.795 42.059 0.082 0.000 1.224 142 L HN 0.357 nan 8.230 nan 0.000 0.430 143 T N 1.351 115.995 114.554 0.150 0.000 2.897 143 T HA 0.047 4.397 4.350 0.001 0.000 0.294 143 T C -0.068 174.651 174.700 0.031 0.000 1.004 143 T CA -0.258 61.905 62.100 0.104 0.000 1.106 143 T CB 0.883 69.782 68.868 0.053 0.000 0.949 143 T HN 0.354 nan 8.240 nan 0.000 0.520 144 D N 1.915 122.273 120.400 -0.070 0.000 2.336 144 D HA 0.071 4.711 4.640 0.001 0.000 0.249 144 D C 1.431 177.612 176.300 -0.197 0.000 1.213 144 D CA -0.145 53.629 54.000 -0.378 0.000 0.870 144 D CB 0.958 41.619 40.800 -0.231 0.000 1.076 144 D HN 0.547 nan 8.370 nan 0.000 0.483 145 S N 3.974 119.554 115.700 -0.199 0.000 2.400 145 S HA -0.191 4.280 4.470 0.001 0.000 0.232 145 S C 2.157 176.695 174.600 -0.104 0.000 1.025 145 S CA 0.515 58.649 58.200 -0.110 0.000 0.993 145 S CB -0.314 62.837 63.200 -0.082 0.000 0.808 145 S HN 0.646 nan 8.310 nan 0.000 0.478 146 I N 1.442 121.946 120.570 -0.110 0.000 2.127 146 I HA -0.196 3.974 4.170 0.001 0.000 0.241 146 I C 2.577 178.640 176.117 -0.090 0.000 1.075 146 I CA 1.524 62.764 61.300 -0.100 0.000 1.334 146 I CB -0.487 37.461 38.000 -0.087 0.000 1.040 146 I HN 0.303 nan 8.210 nan 0.000 0.405 147 L N -0.169 121.021 121.223 -0.055 0.000 2.005 147 L HA -0.272 4.068 4.340 0.001 0.000 0.207 147 L C 2.909 179.745 176.870 -0.057 0.000 1.072 147 L CA 1.374 56.198 54.840 -0.028 0.000 0.744 147 L CB -0.688 41.397 42.059 0.043 0.000 0.895 147 L HN 0.499 nan 8.230 nan 0.000 0.433 148 C N 0.460 119.729 119.300 -0.052 0.000 2.413 148 C HA -0.189 4.271 4.460 0.001 0.000 0.277 148 C C 2.294 177.239 174.990 -0.076 0.000 1.228 148 C CA 1.547 60.532 59.018 -0.054 0.000 1.731 148 C CB -0.664 27.048 27.740 -0.047 0.000 2.042 148 C HN 0.552 nan 8.230 nan 0.000 0.468 149 D N -1.008 119.342 120.400 -0.083 0.000 2.388 149 D HA 0.160 4.801 4.640 0.001 0.000 0.208 149 D C 2.112 178.353 176.300 -0.099 0.000 1.035 149 D CA 1.233 55.180 54.000 -0.089 0.000 0.875 149 D CB -0.368 40.381 40.800 -0.086 0.000 0.984 149 D HN 0.632 nan 8.370 nan 0.000 0.508 150 G N 0.178 108.911 108.800 -0.111 0.000 2.556 150 G HA2 0.079 4.039 3.960 0.001 0.000 0.209 150 G HA3 0.079 4.039 3.960 0.001 0.000 0.209 150 G C 1.344 176.161 174.900 -0.140 0.000 1.159 150 G CA -0.011 45.013 45.100 -0.127 0.000 0.828 150 G HN 0.171 nan 8.290 nan 0.000 0.553 151 L N 0.767 121.884 121.223 -0.176 0.000 2.858 151 L HA 0.277 4.617 4.340 0.001 0.000 0.251 151 L C 0.019 176.685 176.870 -0.340 0.000 1.149 151 L CA 0.130 54.790 54.840 -0.299 0.000 0.955 151 L CB 1.017 42.813 42.059 -0.439 0.000 1.289 151 L HN -0.038 nan 8.230 nan 0.000 0.542 152 T N 0.120 114.564 114.554 -0.184 0.000 2.756 152 T HA 0.144 4.494 4.350 0.001 0.000 0.290 152 T C -0.449 174.205 174.700 -0.075 0.000 0.985 152 T CA -0.393 61.638 62.100 -0.115 0.000 0.955 152 T CB 1.725 70.555 68.868 -0.064 0.000 0.930 152 T HN -0.016 nan 8.240 nan 0.000 0.451 153 D N 2.482 122.865 120.400 -0.028 0.000 2.487 153 D HA 0.224 4.864 4.640 0.001 0.000 0.243 153 D C 1.146 177.408 176.300 -0.063 0.000 1.154 153 D CA -0.097 53.914 54.000 0.019 0.000 0.876 153 D CB 0.674 41.556 40.800 0.137 0.000 1.161 153 D HN 0.539 nan 8.370 nan 0.000 0.478 154 A N 3.457 126.144 122.820 -0.221 0.000 2.066 154 A HA -0.051 4.269 4.320 0.001 0.000 0.218 154 A C 1.539 178.794 177.584 -0.548 0.000 1.157 154 A CA 0.678 52.456 52.037 -0.432 0.000 0.670 154 A CB -0.467 18.159 19.000 -0.623 0.000 0.804 154 A HN 0.649 nan 8.150 nan 0.000 0.453 155 F N -1.514 118.358 119.950 -0.131 0.000 2.317 155 F HA 0.069 4.596 4.527 0.000 0.000 0.293 155 F C 2.175 177.724 175.800 -0.418 0.000 1.085 155 F CA 1.039 58.862 58.000 -0.295 0.000 1.390 155 F CB -0.099 38.664 39.000 -0.396 0.000 1.077 155 F HN 0.293 nan 8.300 nan 0.000 0.517 156 H N -0.907 118.251 119.070 0.146 0.000 2.755 156 H HA 0.149 4.705 4.556 0.000 0.000 0.273 156 H C 0.282 175.635 175.328 0.043 0.000 1.055 156 H CA 0.036 56.136 56.048 0.087 0.000 1.191 156 H CB -0.258 29.554 29.762 0.085 0.000 1.536 156 H HN 0.247 nan 8.280 nan 0.000 0.529 157 N N 1.416 120.168 118.700 0.086 0.000 2.705 157 N HA -0.185 4.556 4.740 0.001 0.000 0.255 157 N C -0.508 175.051 175.510 0.082 0.000 1.008 157 N CA 0.489 53.569 53.050 0.050 0.000 0.742 157 N CB -0.994 37.514 38.487 0.035 0.000 0.906 157 N HN 0.439 nan 8.380 nan 0.000 0.541 158 C N -0.489 118.868 119.300 0.095 0.000 2.898 158 C HA 0.497 4.958 4.460 0.001 0.000 0.304 158 C C 0.453 175.490 174.990 0.079 0.000 1.237 158 C CA -1.310 57.767 59.018 0.098 0.000 1.529 158 C CB 1.638 29.431 27.740 0.089 0.000 2.021 158 C HN 0.459 nan 8.230 nan 0.000 0.474 159 H N 2.626 121.698 119.070 0.003 0.000 2.948 159 H HA 0.068 4.624 4.556 0.001 0.000 0.351 159 H C 1.228 176.455 175.328 -0.169 0.000 1.079 159 H CA 0.583 56.601 56.048 -0.051 0.000 1.407 159 H CB 0.886 30.630 29.762 -0.031 0.000 1.373 159 H HN 0.782 nan 8.280 nan 0.000 0.605 160 M N 3.501 123.030 119.600 -0.120 0.000 2.143 160 M HA -0.151 4.330 4.480 0.001 0.000 0.258 160 M C 2.351 178.453 176.300 -0.329 0.000 1.071 160 M CA 1.607 56.875 55.300 -0.053 0.000 1.088 160 M CB -1.592 31.093 32.600 0.143 0.000 1.360 160 M HN 0.784 nan 8.290 nan 0.000 0.404 161 G N 0.332 108.854 108.800 -0.462 0.000 2.450 161 G HA2 -0.156 3.805 3.960 0.001 0.000 0.220 161 G HA3 -0.156 3.805 3.960 0.001 0.000 0.220 161 G C 1.554 175.979 174.900 -0.792 0.000 1.130 161 G CA 0.365 44.667 45.100 -1.329 0.000 0.760 161 G HN 0.327 nan 8.290 nan 0.000 0.557 162 I N 2.068 122.367 120.570 -0.451 0.000 2.202 162 I HA -0.139 4.032 4.170 0.001 0.000 0.242 162 I C 3.214 179.213 176.117 -0.196 0.000 1.091 162 I CA 1.974 63.161 61.300 -0.189 0.000 1.368 162 I CB -1.525 36.444 38.000 -0.052 0.000 1.058 162 I HN 0.365 nan 8.210 nan 0.000 0.410 163 T N -0.238 114.191 114.554 -0.207 0.000 2.849 163 T HA -0.106 4.245 4.350 0.001 0.000 0.270 163 T C 1.986 176.550 174.700 -0.226 0.000 1.066 163 T CA 1.283 63.281 62.100 -0.169 0.000 1.130 163 T CB -0.395 68.408 68.868 -0.108 0.000 0.864 163 T HN 0.278 nan 8.240 nan 0.000 0.481 164 A N 1.856 124.420 122.820 -0.428 0.000 1.898 164 A HA -0.041 4.280 4.320 0.001 0.000 0.216 164 A C 2.465 179.908 177.584 -0.235 0.000 1.181 164 A CA 1.311 53.054 52.037 -0.489 0.000 0.620 164 A CB -0.509 17.778 19.000 -1.188 0.000 0.819 164 A HN 0.509 nan 8.150 nan 0.000 0.442 165 E N 0.695 120.781 120.200 -0.191 0.000 2.118 165 E HA -0.194 4.156 4.350 0.001 0.000 0.195 165 E C 1.665 178.249 176.600 -0.027 0.000 0.992 165 E CA 1.287 57.650 56.400 -0.063 0.000 0.804 165 E CB -0.460 29.223 29.700 -0.028 0.000 0.741 165 E HN 0.594 nan 8.360 nan 0.000 0.458 166 N N 0.649 119.323 118.700 -0.044 0.000 2.120 166 N HA -0.121 4.619 4.740 0.001 0.000 0.188 166 N C 2.065 177.624 175.510 0.082 0.000 1.024 166 N CA 0.852 53.903 53.050 0.002 0.000 0.852 166 N CB -0.554 37.922 38.487 -0.019 0.000 1.003 166 N HN 0.019 nan 8.380 nan 0.000 0.424 167 V N 1.529 121.486 119.914 0.071 0.000 2.427 167 V HA -0.141 3.979 4.120 0.001 0.000 0.248 167 V C 2.411 178.635 176.094 0.217 0.000 1.051 167 V CA 1.586 63.994 62.300 0.180 0.000 1.048 167 V CB -0.950 30.846 31.823 -0.044 0.000 0.666 167 V HN 0.292 nan 8.190 nan 0.000 0.456 168 A N -0.034 122.843 122.820 0.095 0.000 1.883 168 A HA -0.314 4.007 4.320 0.001 0.000 0.217 168 A C 2.269 179.922 177.584 0.115 0.000 1.186 168 A CA 2.482 54.578 52.037 0.099 0.000 0.624 168 A CB -0.521 18.512 19.000 0.055 0.000 0.822 168 A HN 0.505 nan 8.150 nan 0.000 0.444 169 K N -0.566 119.885 120.400 0.086 0.000 1.991 169 K HA -0.203 4.118 4.320 0.001 0.000 0.212 169 K C 2.181 178.814 176.600 0.054 0.000 1.049 169 K CA 2.029 58.350 56.287 0.057 0.000 0.932 169 K CB -0.148 32.372 32.500 0.033 0.000 0.717 169 K HN 0.258 nan 8.250 nan 0.000 0.441 170 K N -0.493 119.961 120.400 0.089 0.000 2.155 170 K HA -0.086 4.234 4.320 0.001 0.000 0.203 170 K C 1.153 177.666 176.600 -0.145 0.000 1.052 170 K CA 1.262 57.529 56.287 -0.034 0.000 0.948 170 K CB -0.059 32.426 32.500 -0.025 0.000 0.728 170 K HN 0.349 nan 8.250 nan 0.000 0.448 171 W N 1.529 122.820 121.300 -0.015 0.000 3.316 171 W HA 0.156 4.817 4.660 0.001 0.000 0.327 171 W C -0.478 176.037 176.519 -0.007 0.000 1.232 171 W CA -0.085 57.253 57.345 -0.011 0.000 1.805 171 W CB -0.006 29.448 29.460 -0.010 0.000 1.090 171 W HN 0.218 nan 8.180 nan 0.000 0.654 172 Q N 0.174 120.052 119.800 0.129 0.000 2.447 172 Q HA -0.193 4.148 4.340 0.001 0.000 0.348 172 Q C -0.579 175.479 176.000 0.097 0.000 1.421 172 Q CA 0.255 56.105 55.803 0.078 0.000 0.978 172 Q CB -1.698 27.058 28.738 0.030 0.000 1.191 172 Q HN -0.117 nan 8.270 nan 0.000 0.371 173 V N 1.600 121.580 119.914 0.111 0.000 2.311 173 V HA 0.302 4.422 4.120 0.001 0.000 0.275 173 V C 0.790 176.925 176.094 0.069 0.000 1.022 173 V CA -0.010 62.343 62.300 0.089 0.000 0.830 173 V CB 1.394 33.273 31.823 0.093 0.000 1.012 173 V HN 0.513 nan 8.190 nan 0.000 0.452 174 S N 4.502 120.236 115.700 0.056 0.000 2.608 174 S HA 0.278 4.748 4.470 0.001 0.000 0.261 174 S C 1.175 175.806 174.600 0.051 0.000 1.314 174 S CA -0.279 57.950 58.200 0.048 0.000 0.992 174 S CB 1.153 64.376 63.200 0.039 0.000 0.935 174 S HN 0.681 nan 8.310 nan 0.000 0.564 175 R N 0.750 121.279 120.500 0.049 0.000 2.091 175 R HA -0.120 4.220 4.340 0.001 0.000 0.238 175 R C 2.086 178.414 176.300 0.047 0.000 1.136 175 R CA 2.276 58.407 56.100 0.052 0.000 0.959 175 R CB -0.998 29.330 30.300 0.047 0.000 0.856 175 R HN 0.890 nan 8.270 nan 0.000 0.437 176 E N -0.258 119.965 120.200 0.039 0.000 2.047 176 E HA -0.172 4.179 4.350 0.001 0.000 0.191 176 E C 1.277 177.899 176.600 0.036 0.000 0.987 176 E CA 1.468 57.888 56.400 0.034 0.000 0.799 176 E CB -0.098 29.619 29.700 0.028 0.000 0.752 176 E HN 0.390 nan 8.360 nan 0.000 0.449 177 D N 0.497 120.920 120.400 0.038 0.000 2.133 177 D HA -0.202 4.439 4.640 0.001 0.000 0.195 177 D C 1.990 178.316 176.300 0.044 0.000 0.997 177 D CA 1.211 55.235 54.000 0.040 0.000 0.840 177 D CB -0.226 40.601 40.800 0.045 0.000 0.947 177 D HN 0.297 nan 8.370 nan 0.000 0.452 178 Q N -0.073 119.759 119.800 0.053 0.000 2.123 178 Q HA -0.106 4.235 4.340 0.001 0.000 0.199 178 Q C 1.568 177.602 176.000 0.057 0.000 0.966 178 Q CA 0.914 56.755 55.803 0.063 0.000 0.845 178 Q CB 0.114 28.901 28.738 0.081 0.000 0.907 178 Q HN 0.240 nan 8.270 nan 0.000 0.439 179 D N 0.686 121.115 120.400 0.049 0.000 2.144 179 D HA -0.093 4.547 4.640 0.001 0.000 0.200 179 D C 1.578 177.898 176.300 0.033 0.000 0.978 179 D CA 1.053 55.078 54.000 0.041 0.000 0.833 179 D CB 0.063 40.884 40.800 0.036 0.000 0.961 179 D HN 0.130 nan 8.370 nan 0.000 0.470 180 K N 0.299 120.718 120.400 0.031 0.000 2.026 180 K HA -0.080 4.241 4.320 0.001 0.000 0.208 180 K C 2.158 178.775 176.600 0.028 0.000 1.048 180 K CA 0.651 56.954 56.287 0.027 0.000 0.929 180 K CB -0.159 32.356 32.500 0.025 0.000 0.713 180 K HN -0.033 nan 8.250 nan 0.000 0.439 181 V N 1.389 121.322 119.914 0.032 0.000 2.332 181 V HA -0.289 3.831 4.120 0.001 0.000 0.248 181 V C 2.337 178.451 176.094 0.032 0.000 1.055 181 V CA 2.091 64.410 62.300 0.031 0.000 1.038 181 V CB -0.697 31.146 31.823 0.034 0.000 0.651 181 V HN 0.395 nan 8.190 nan 0.000 0.450 182 A N -0.361 122.480 122.820 0.035 0.000 1.902 182 A HA -0.173 4.148 4.320 0.001 0.000 0.217 182 A C 2.393 179.990 177.584 0.023 0.000 1.181 182 A CA 2.142 54.197 52.037 0.031 0.000 0.623 182 A CB -0.710 18.310 19.000 0.033 0.000 0.818 182 A HN 0.339 nan 8.150 nan 0.000 0.443 183 V N -0.490 119.437 119.914 0.021 0.000 2.343 183 V HA -0.237 3.883 4.120 0.001 0.000 0.247 183 V C 2.498 178.604 176.094 0.021 0.000 1.051 183 V CA 1.957 64.267 62.300 0.018 0.000 1.036 183 V CB -0.745 31.088 31.823 0.016 0.000 0.654 183 V HN 0.569 nan 8.190 nan 0.000 0.451 184 L N -0.109 121.128 121.223 0.024 0.000 2.012 184 L HA -0.175 4.166 4.340 0.001 0.000 0.210 184 L C 2.715 179.606 176.870 0.035 0.000 1.073 184 L CA 2.378 57.234 54.840 0.026 0.000 0.748 184 L CB -0.599 41.475 42.059 0.026 0.000 0.891 184 L HN 0.349 nan 8.230 nan 0.000 0.431 185 S N -1.516 114.207 115.700 0.038 0.000 2.356 185 S HA -0.224 4.246 4.470 0.001 0.000 0.223 185 S C 1.998 176.633 174.600 0.058 0.000 1.032 185 S CA 1.333 59.563 58.200 0.051 0.000 1.005 185 S CB -0.218 63.010 63.200 0.045 0.000 0.867 185 S HN 0.523 nan 8.310 nan 0.000 0.449 186 Q N 0.961 120.787 119.800 0.042 0.000 2.050 186 Q HA -0.071 4.269 4.340 0.001 0.000 0.202 186 Q C 2.015 178.049 176.000 0.058 0.000 0.980 186 Q CA 1.583 57.414 55.803 0.047 0.000 0.840 186 Q CB -0.796 27.955 28.738 0.021 0.000 0.898 186 Q HN 0.705 nan 8.270 nan 0.000 0.424 187 N N 0.242 118.963 118.700 0.035 0.000 2.142 187 N HA -0.103 4.638 4.740 0.001 0.000 0.186 187 N C 1.882 177.399 175.510 0.012 0.000 1.023 187 N CA 0.540 53.599 53.050 0.015 0.000 0.852 187 N CB -0.035 38.455 38.487 0.006 0.000 0.998 187 N HN 0.145 nan 8.380 nan 0.000 0.424 188 R N 0.286 120.805 120.500 0.032 0.000 2.091 188 R HA -0.072 4.268 4.340 0.001 0.000 0.238 188 R C 2.030 178.366 176.300 0.060 0.000 1.136 188 R CA 1.426 57.549 56.100 0.038 0.000 0.959 188 R CB -0.510 29.826 30.300 0.061 0.000 0.856 188 R HN 0.240 nan 8.270 nan 0.000 0.437 189 T N 0.560 115.182 114.554 0.114 0.000 2.777 189 T HA -0.165 4.185 4.350 0.001 0.000 0.266 189 T C 1.671 176.466 174.700 0.159 0.000 1.040 189 T CA 1.297 63.526 62.100 0.214 0.000 1.141 189 T CB -0.064 68.942 68.868 0.230 0.000 0.868 189 T HN 0.397 nan 8.240 nan 0.000 0.444 190 E N 0.838 121.075 120.200 0.063 0.000 2.072 190 E HA -0.165 4.185 4.350 0.001 0.000 0.191 190 E C 2.048 178.556 176.600 -0.153 0.000 0.985 190 E CA 0.892 57.233 56.400 -0.100 0.000 0.801 190 E CB -0.003 29.567 29.700 -0.216 0.000 0.750 190 E HN 0.280 nan 8.360 nan 0.000 0.452 191 N N 0.746 119.371 118.700 -0.125 0.000 2.069 191 N HA -0.181 4.559 4.740 0.001 0.000 0.191 191 N C 1.675 177.007 175.510 -0.297 0.000 1.031 191 N CA 1.498 54.446 53.050 -0.171 0.000 0.852 191 N CB -0.566 37.850 38.487 -0.118 0.000 1.018 191 N HN 0.256 nan 8.380 nan 0.000 0.423 192 A N 1.181 123.820 122.820 -0.301 0.000 1.902 192 A HA -0.180 4.140 4.320 0.001 0.000 0.217 192 A C 2.176 179.432 177.584 -0.546 0.000 1.181 192 A CA 1.361 53.044 52.037 -0.590 0.000 0.623 192 A CB -0.647 18.021 19.000 -0.553 0.000 0.818 192 A HN 0.351 nan 8.150 nan 0.000 0.443 193 Q N -0.308 119.370 119.800 -0.202 0.000 2.061 193 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 193 Q C 2.071 178.019 176.000 -0.088 0.000 0.984 193 Q CA 1.801 57.605 55.803 0.002 0.000 0.846 193 Q CB -0.219 28.615 28.738 0.161 0.000 0.902 193 Q HN 0.605 nan 8.270 nan 0.000 0.421 194 K N -0.002 120.307 120.400 -0.151 0.000 2.148 194 K HA -0.035 4.286 4.320 0.001 0.000 0.204 194 K C 1.810 178.312 176.600 -0.164 0.000 1.050 194 K CA 1.044 57.248 56.287 -0.138 0.000 0.942 194 K CB -0.005 32.404 32.500 -0.151 0.000 0.724 194 K HN 0.101 nan 8.250 nan 0.000 0.446 195 A N 0.628 123.272 122.820 -0.293 0.000 2.238 195 A HA 0.167 4.488 4.320 0.001 0.000 0.208 195 A C 1.398 178.871 177.584 -0.185 0.000 1.177 195 A CA 0.852 52.699 52.037 -0.316 0.000 0.804 195 A CB -0.401 18.204 19.000 -0.659 0.000 0.823 195 A HN 0.417 nan 8.150 nan 0.000 0.482 196 G N -1.121 107.589 108.800 -0.150 0.000 2.153 196 G HA2 -0.347 3.613 3.960 0.001 0.000 0.252 196 G HA3 -0.347 3.613 3.960 0.001 0.000 0.252 196 G C 0.568 175.485 174.900 0.030 0.000 0.994 196 G CA 0.840 45.922 45.100 -0.030 0.000 0.698 196 G HN 0.804 nan 8.290 nan 0.000 0.521 197 H N -1.440 117.488 119.070 -0.237 0.000 2.457 197 H HA -0.015 4.541 4.556 0.001 0.000 0.297 197 H C 1.895 177.062 175.328 -0.269 0.000 1.092 197 H CA 1.238 57.100 56.048 -0.310 0.000 1.309 197 H CB -0.042 29.430 29.762 -0.484 0.000 1.382 197 H HN 0.527 nan 8.280 nan 0.000 0.535 198 F N 0.509 120.524 119.950 0.108 0.000 2.797 198 F HA -0.003 4.524 4.527 -0.000 0.000 0.302 198 F C 1.570 177.361 175.800 -0.015 0.000 1.130 198 F CA -0.119 57.902 58.000 0.035 0.000 1.387 198 F CB 0.026 39.051 39.000 0.041 0.000 1.107 198 F HN 0.032 nan 8.300 nan 0.000 0.577 199 D N 0.617 121.096 120.400 0.131 0.000 2.117 199 D HA -0.180 4.460 4.640 0.001 0.000 0.197 199 D C 2.253 178.554 176.300 0.002 0.000 0.987 199 D CA 1.122 55.161 54.000 0.065 0.000 0.829 199 D CB -0.175 40.649 40.800 0.040 0.000 0.961 199 D HN 0.220 nan 8.370 nan 0.000 0.460 200 K N 0.752 121.121 120.400 -0.051 0.000 2.025 200 K HA -0.153 4.167 4.320 0.001 0.000 0.207 200 K C 2.044 178.493 176.600 -0.250 0.000 1.049 200 K CA 1.349 57.551 56.287 -0.142 0.000 0.933 200 K CB 0.076 32.470 32.500 -0.176 0.000 0.714 200 K HN 0.254 nan 8.250 nan 0.000 0.438 201 E N 0.477 120.475 120.200 -0.337 0.000 2.152 201 E HA -0.093 4.257 4.350 0.001 0.000 0.192 201 E C 0.598 177.156 176.600 -0.069 0.000 0.983 201 E CA 0.329 56.543 56.400 -0.310 0.000 0.818 201 E CB -0.238 29.365 29.700 -0.161 0.000 0.758 201 E HN 0.244 nan 8.360 nan 0.000 0.467 202 I N 2.344 122.902 120.570 -0.018 0.000 2.648 202 I HA 0.006 4.176 4.170 0.001 0.000 0.284 202 I C -0.160 175.956 176.117 -0.001 0.000 1.153 202 I CA -0.260 61.041 61.300 0.001 0.000 1.426 202 I CB 1.411 39.426 38.000 0.025 0.000 1.381 202 I HN -0.006 nan 8.210 nan 0.000 0.571 203 V N 8.807 128.723 119.914 0.003 0.000 2.448 203 V HA 0.495 4.616 4.120 0.001 0.000 0.295 203 V C -2.301 173.797 176.094 0.006 0.000 1.025 203 V CA -2.144 60.159 62.300 0.006 0.000 0.859 203 V CB 1.921 33.750 31.823 0.010 0.000 0.988 203 V HN 0.511 nan 8.190 nan 0.000 0.431 204 P HA 0.163 nan 4.420 nan 0.000 0.267 204 P C -0.888 176.414 177.300 0.003 0.000 1.200 204 P CA 0.174 63.278 63.100 0.006 0.000 0.772 204 P CB 0.630 32.334 31.700 0.007 0.000 0.855 205 V N 4.116 124.032 119.914 0.003 0.000 2.483 205 V HA 0.221 4.341 4.120 0.001 0.000 0.295 205 V C 0.275 176.369 176.094 0.000 0.000 1.035 205 V CA -0.702 61.598 62.300 0.000 0.000 0.896 205 V CB 1.528 33.351 31.823 -0.000 0.000 0.986 205 V HN 0.365 nan 8.190 nan 0.000 0.447 206 L N 6.026 127.247 121.223 -0.002 0.000 2.290 206 L HA 0.546 4.886 4.340 0.001 0.000 0.284 206 L C -0.414 176.455 176.870 -0.002 0.000 1.078 206 L CA 0.570 55.409 54.840 -0.002 0.000 0.815 206 L CB 1.296 43.353 42.059 -0.005 0.000 1.162 206 L HN 0.474 nan 8.230 nan 0.000 0.435 207 V N 3.319 123.233 119.914 -0.000 0.000 2.623 207 V HA 0.441 4.561 4.120 0.001 0.000 0.304 207 V C -0.318 175.776 176.094 0.000 0.000 1.054 207 V CA -0.822 61.478 62.300 0.000 0.000 0.882 207 V CB 2.001 33.825 31.823 0.003 0.000 1.002 207 V HN 0.828 nan 8.190 nan 0.000 0.424 208 S N 2.961 118.661 115.700 -0.000 0.000 2.528 208 S HA 0.662 5.132 4.470 0.001 0.000 0.277 208 S C -0.004 174.596 174.600 0.000 0.000 1.297 208 S CA -0.415 57.785 58.200 -0.000 0.000 1.052 208 S CB 1.188 64.387 63.200 -0.001 0.000 0.917 208 S HN 0.724 nan 8.310 nan 0.000 0.492 209 T N 1.819 116.373 114.554 0.000 0.000 2.883 209 T HA 0.432 4.783 4.350 0.001 0.000 0.284 209 T C 1.393 176.093 174.700 -0.000 0.000 1.041 209 T CA -1.125 60.976 62.100 0.001 0.000 1.007 209 T CB 1.201 70.070 68.868 0.001 0.000 1.220 209 T HN 0.638 nan 8.240 nan 0.000 0.552 210 R N 1.066 121.566 120.500 -0.000 0.000 2.115 210 R HA 0.020 4.360 4.340 0.001 0.000 0.230 210 R C 0.674 176.974 176.300 -0.000 0.000 1.111 210 R CA 1.096 57.195 56.100 -0.001 0.000 0.976 210 R CB -0.541 29.758 30.300 -0.001 0.000 0.870 210 R HN 0.444 nan 8.270 nan 0.000 0.445 211 K N 1.350 121.750 120.400 0.000 0.000 2.862 211 K HA 0.217 4.537 4.320 0.001 0.000 0.229 211 K C 0.316 176.916 176.600 0.001 0.000 1.107 211 K CA 0.325 56.612 56.287 0.001 0.000 1.222 211 K CB 0.372 32.873 32.500 0.001 0.000 1.067 211 K HN 0.453 nan 8.250 nan 0.000 0.464 212 G N 0.842 109.642 108.800 0.000 0.000 2.593 212 G HA2 -0.292 3.668 3.960 0.001 0.000 0.237 212 G HA3 -0.292 3.668 3.960 0.001 0.000 0.237 212 G C -0.482 174.418 174.900 0.001 0.000 1.312 212 G CA -0.941 44.159 45.100 0.000 0.000 0.896 212 G HN 0.202 nan 8.290 nan 0.000 0.574 213 L N 0.876 122.099 121.223 0.000 0.000 2.426 213 L HA 0.608 4.948 4.340 0.001 0.000 0.271 213 L C 0.988 177.859 176.870 0.002 0.000 1.169 213 L CA -0.139 54.701 54.840 0.000 0.000 0.836 213 L CB 0.584 42.643 42.059 -0.000 0.000 1.112 213 L HN 0.744 nan 8.230 nan 0.000 0.465 214 I N -1.166 119.405 120.570 0.002 0.000 2.865 214 I HA 0.477 4.648 4.170 0.001 0.000 0.302 214 I C -0.868 175.252 176.117 0.004 0.000 1.140 214 I CA -0.861 60.441 61.300 0.004 0.000 1.021 214 I CB 2.344 40.347 38.000 0.005 0.000 1.233 214 I HN 0.471 nan 8.210 nan 0.000 0.427 215 E N 3.463 123.667 120.200 0.005 0.000 2.200 215 E HA 0.435 4.785 4.350 0.001 0.000 0.283 215 E C -1.129 175.477 176.600 0.009 0.000 1.015 215 E CA -0.746 55.658 56.400 0.006 0.000 0.819 215 E CB 2.362 32.067 29.700 0.007 0.000 1.081 215 E HN 0.448 nan 8.360 nan 0.000 0.397 216 V N 4.784 124.703 119.914 0.009 0.000 2.370 216 V HA 0.190 4.310 4.120 0.001 0.000 0.279 216 V C 0.653 176.755 176.094 0.012 0.000 1.029 216 V CA -0.258 62.048 62.300 0.011 0.000 0.870 216 V CB 0.791 32.620 31.823 0.010 0.000 0.984 216 V HN 0.736 nan 8.190 nan 0.000 0.451 217 K N 1.382 121.792 120.400 0.018 0.000 2.625 217 K HA 0.281 4.601 4.320 0.001 0.000 0.190 217 K C -0.230 176.390 176.600 0.034 0.000 1.174 217 K CA -0.351 55.949 56.287 0.022 0.000 1.103 217 K CB 1.018 33.532 32.500 0.023 0.000 0.900 217 K HN 0.501 nan 8.250 nan 0.000 0.540 218 T N 1.534 116.108 114.554 0.033 0.000 2.824 218 T HA 0.234 4.585 4.350 0.001 0.000 0.282 218 T C -0.996 173.722 174.700 0.030 0.000 0.993 218 T CA -0.628 61.501 62.100 0.047 0.000 0.967 218 T CB 1.743 70.644 68.868 0.055 0.000 0.960 218 T HN 0.069 nan 8.240 nan 0.000 0.441 219 D N 2.178 122.591 120.400 0.022 0.000 2.455 219 D HA 0.004 4.644 4.640 0.001 0.000 0.241 219 D C 0.960 177.278 176.300 0.031 0.000 1.138 219 D CA 0.324 54.325 54.000 0.002 0.000 0.877 219 D CB 1.398 42.169 40.800 -0.049 0.000 1.187 219 D HN 0.695 nan 8.370 nan 0.000 0.451 220 E N 1.687 121.919 120.200 0.052 0.000 2.307 220 E HA -0.077 4.274 4.350 0.001 0.000 0.195 220 E C 1.301 177.959 176.600 0.098 0.000 0.975 220 E CA -0.063 56.373 56.400 0.060 0.000 0.878 220 E CB 0.161 29.905 29.700 0.073 0.000 0.845 220 E HN 0.381 nan 8.360 nan 0.000 0.488 221 F N 1.774 121.696 119.950 -0.047 0.000 2.416 221 F HA 0.209 4.736 4.527 0.001 0.000 0.296 221 F C -1.804 173.962 175.800 -0.056 0.000 1.099 221 F CA -0.984 56.991 58.000 -0.042 0.000 1.427 221 F CB -0.578 38.404 39.000 -0.032 0.000 1.079 221 F HN -0.095 nan 8.300 nan 0.000 0.536 222 P HA -0.049 nan 4.420 nan 0.000 0.264 222 P C -0.691 176.417 177.300 -0.321 0.000 1.183 222 P CA 0.549 63.535 63.100 -0.191 0.000 0.763 222 P CB 0.332 32.015 31.700 -0.028 0.000 0.807 223 R N 2.946 123.301 120.500 -0.243 0.000 2.332 223 R HA 0.229 4.570 4.340 0.001 0.000 0.306 223 R C 0.087 176.372 176.300 -0.025 0.000 1.117 223 R CA -0.395 55.590 56.100 -0.192 0.000 1.108 223 R CB -0.117 30.069 30.300 -0.190 0.000 1.126 223 R HN 0.705 nan 8.270 nan 0.000 0.548 224 H N 0.028 119.068 119.070 -0.051 0.000 2.871 224 H HA 0.059 4.615 4.556 -0.000 0.000 0.355 224 H C 1.273 176.584 175.328 -0.029 0.000 1.092 224 H CA 0.712 56.742 56.048 -0.030 0.000 1.420 224 H CB 0.764 30.515 29.762 -0.019 0.000 1.400 224 H HN 0.864 nan 8.280 nan 0.000 0.604 225 G N 2.242 111.104 108.800 0.104 0.000 2.143 225 G HA2 -0.325 3.636 3.960 0.001 0.000 0.248 225 G HA3 -0.325 3.636 3.960 0.001 0.000 0.248 225 G C 0.177 175.092 174.900 0.025 0.000 0.991 225 G CA 0.160 45.286 45.100 0.044 0.000 0.689 225 G HN 0.574 nan 8.290 nan 0.000 0.522 226 S N 0.262 115.977 115.700 0.026 0.000 2.558 226 S HA 0.440 4.911 4.470 0.001 0.000 0.288 226 S C 0.455 175.060 174.600 0.008 0.000 1.318 226 S CA 0.718 58.922 58.200 0.007 0.000 1.056 226 S CB 0.664 63.865 63.200 0.001 0.000 0.853 226 S HN 1.202 nan 8.310 nan 0.000 0.505 227 N N 0.421 119.123 118.700 0.005 0.000 2.396 227 N HA 0.386 5.127 4.740 0.001 0.000 0.275 227 N C 0.070 175.585 175.510 0.008 0.000 1.218 227 N CA -0.830 52.224 53.050 0.007 0.000 0.812 227 N CB 0.494 38.985 38.487 0.006 0.000 1.592 227 N HN 0.315 nan 8.380 nan 0.000 0.480 228 I N 0.571 121.147 120.570 0.010 0.000 2.394 228 I HA -0.126 4.044 4.170 0.001 0.000 0.251 228 I C 2.187 178.311 176.117 0.012 0.000 1.136 228 I CA 1.344 62.652 61.300 0.013 0.000 1.425 228 I CB -0.181 37.828 38.000 0.014 0.000 1.079 228 I HN 0.899 nan 8.210 nan 0.000 0.425 229 E N 0.806 121.012 120.200 0.010 0.000 2.038 229 E HA -0.285 4.066 4.350 0.001 0.000 0.195 229 E C 2.203 178.808 176.600 0.009 0.000 1.000 229 E CA 1.595 58.001 56.400 0.009 0.000 0.803 229 E CB -0.352 29.352 29.700 0.008 0.000 0.750 229 E HN 0.523 nan 8.360 nan 0.000 0.448 230 A N 1.157 123.981 122.820 0.007 0.000 1.883 230 A HA -0.209 4.111 4.320 0.001 0.000 0.217 230 A C 2.347 179.936 177.584 0.009 0.000 1.186 230 A CA 2.063 54.104 52.037 0.006 0.000 0.624 230 A CB -0.655 18.346 19.000 0.002 0.000 0.822 230 A HN 0.400 nan 8.150 nan 0.000 0.444 231 M N 0.441 120.047 119.600 0.010 0.000 2.159 231 M HA -0.150 4.330 4.480 0.001 0.000 0.263 231 M C 2.372 178.684 176.300 0.021 0.000 1.063 231 M CA 1.852 57.161 55.300 0.015 0.000 1.110 231 M CB -0.534 32.076 32.600 0.017 0.000 1.374 231 M HN 0.666 nan 8.290 nan 0.000 0.411 232 S N -0.035 115.676 115.700 0.020 0.000 2.515 232 S HA -0.048 4.422 4.470 0.001 0.000 0.231 232 S C 1.555 176.167 174.600 0.020 0.000 0.987 232 S CA 0.605 58.818 58.200 0.022 0.000 0.936 232 S CB -0.328 62.884 63.200 0.019 0.000 0.766 232 S HN 0.454 nan 8.310 nan 0.000 0.528 233 K N 0.544 120.955 120.400 0.017 0.000 2.366 233 K HA 0.241 4.562 4.320 0.001 0.000 0.198 233 K C 0.369 176.980 176.600 0.019 0.000 1.044 233 K CA 0.187 56.483 56.287 0.016 0.000 0.973 233 K CB -0.213 32.294 32.500 0.012 0.000 0.767 233 K HN 0.419 nan 8.250 nan 0.000 0.475 234 L N 1.861 123.098 121.223 0.023 0.000 2.453 234 L HA 0.113 4.453 4.340 0.001 0.000 0.261 234 L C 0.398 177.287 176.870 0.032 0.000 1.179 234 L CA -0.285 54.572 54.840 0.028 0.000 0.813 234 L CB 0.461 42.540 42.059 0.033 0.000 1.110 234 L HN 0.010 nan 8.230 nan 0.000 0.466 235 K N 1.779 122.199 120.400 0.033 0.000 2.110 235 K HA 0.406 4.726 4.320 0.001 0.000 0.263 235 K C -2.389 174.237 176.600 0.045 0.000 0.975 235 K CA -1.881 54.424 56.287 0.029 0.000 0.895 235 K CB 0.846 33.352 32.500 0.012 0.000 1.060 235 K HN 0.237 nan 8.250 nan 0.000 0.448 236 P HA -0.059 nan 4.420 nan 0.000 0.265 236 P C -0.269 177.056 177.300 0.041 0.000 1.193 236 P CA 0.239 63.380 63.100 0.069 0.000 0.765 236 P CB 0.217 31.958 31.700 0.068 0.000 0.823 237 Y N 2.256 122.463 120.300 -0.154 0.000 2.389 237 Y HA 0.070 4.620 4.550 0.000 0.000 0.292 237 Y C 1.392 177.026 175.900 -0.443 0.000 1.117 237 Y CA 1.232 59.108 58.100 -0.374 0.000 1.195 237 Y CB 0.039 38.111 38.460 -0.647 0.000 1.076 237 Y HN 0.204 nan 8.280 nan 0.000 0.548 238 F N -1.110 118.919 119.950 0.133 0.000 2.582 238 F HA 0.231 4.759 4.527 0.001 0.000 0.290 238 F C -0.028 175.771 175.800 -0.003 0.000 1.115 238 F CA 0.159 58.185 58.000 0.044 0.000 1.445 238 F CB 0.310 39.345 39.000 0.058 0.000 1.126 238 F HN -0.123 nan 8.300 nan 0.000 0.574 239 L N 0.803 122.119 121.223 0.157 0.000 2.454 239 L HA 0.334 4.675 4.340 0.001 0.000 0.258 239 L C 0.585 177.483 176.870 0.047 0.000 1.025 239 L CA -0.097 54.801 54.840 0.097 0.000 0.901 239 L CB 0.608 42.732 42.059 0.108 0.000 1.210 239 L HN 0.103 nan 8.230 nan 0.000 0.457 240 T N -1.995 112.568 114.554 0.015 0.000 3.251 240 T HA 0.146 4.496 4.350 0.001 0.000 0.259 240 T C 0.517 175.218 174.700 0.002 0.000 0.998 240 T CA 0.124 62.222 62.100 -0.004 0.000 0.905 240 T CB -0.492 68.355 68.868 -0.035 0.000 1.067 240 T HN 0.541 nan 8.240 nan 0.000 0.569 241 D N 0.444 120.851 120.400 0.012 0.000 2.395 241 D HA 0.244 4.884 4.640 0.001 0.000 0.226 241 D C 1.577 177.885 176.300 0.012 0.000 1.146 241 D CA 0.051 54.057 54.000 0.011 0.000 0.830 241 D CB -0.609 40.200 40.800 0.013 0.000 0.958 241 D HN 0.502 nan 8.370 nan 0.000 0.501 242 G N 0.562 109.370 108.800 0.014 0.000 2.184 242 G HA2 -0.360 3.600 3.960 0.001 0.000 0.264 242 G HA3 -0.360 3.600 3.960 0.001 0.000 0.264 242 G C 1.031 175.942 174.900 0.020 0.000 0.975 242 G CA 0.925 46.035 45.100 0.015 0.000 0.642 242 G HN 0.664 nan 8.290 nan 0.000 0.536 243 T N -1.402 113.166 114.554 0.023 0.000 3.069 243 T HA 0.537 4.887 4.350 0.001 0.000 0.252 243 T C 1.374 176.097 174.700 0.038 0.000 1.053 243 T CA 0.984 63.100 62.100 0.027 0.000 0.964 243 T CB 0.770 69.651 68.868 0.022 0.000 1.005 243 T HN 1.363 nan 8.240 nan 0.000 0.532 244 G N 1.075 109.902 108.800 0.046 0.000 2.491 244 G HA2 0.403 4.364 3.960 0.001 0.000 0.242 244 G HA3 0.403 4.364 3.960 0.001 0.000 0.242 244 G C 0.793 175.734 174.900 0.068 0.000 1.266 244 G CA 0.298 45.438 45.100 0.066 0.000 0.844 244 G HN 0.422 nan 8.290 nan 0.000 0.571 245 T N -2.081 112.525 114.554 0.087 0.000 3.010 245 T HA 0.134 4.485 4.350 0.001 0.000 0.252 245 T C 0.661 175.433 174.700 0.121 0.000 0.963 245 T CA -0.014 62.139 62.100 0.088 0.000 0.952 245 T CB 0.053 68.966 68.868 0.075 0.000 1.182 245 T HN 0.264 nan 8.240 nan 0.000 0.495 246 V N 4.210 124.226 119.914 0.169 0.000 2.508 246 V HA 0.543 4.664 4.120 0.001 0.000 0.281 246 V C 0.782 177.015 176.094 0.232 0.000 1.041 246 V CA 0.017 62.466 62.300 0.248 0.000 1.016 246 V CB 0.485 32.530 31.823 0.369 0.000 0.984 246 V HN 0.806 nan 8.190 nan 0.000 0.478 247 T N 2.693 117.353 114.554 0.177 0.000 2.888 247 T HA 0.512 4.863 4.350 0.001 0.000 0.288 247 T C -2.198 172.536 174.700 0.057 0.000 1.063 247 T CA -2.117 60.044 62.100 0.102 0.000 1.010 247 T CB 2.163 71.077 68.868 0.077 0.000 1.214 247 T HN 0.307 nan 8.240 nan 0.000 0.533 248 P HA 0.039 nan 4.420 nan 0.000 0.219 248 P C 1.413 178.718 177.300 0.008 0.000 1.146 248 P CA 1.298 64.364 63.100 -0.058 0.000 0.808 248 P CB -0.247 31.408 31.700 -0.076 0.000 0.779 249 A N 0.271 123.101 122.820 0.017 0.000 2.016 249 A HA -0.110 4.210 4.320 0.001 0.000 0.217 249 A C 1.494 179.098 177.584 0.033 0.000 1.162 249 A CA 1.445 53.488 52.037 0.010 0.000 0.662 249 A CB -1.080 17.925 19.000 0.008 0.000 0.812 249 A HN 0.326 nan 8.150 nan 0.000 0.450 250 N N -1.049 117.694 118.700 0.071 0.000 2.282 250 N HA 0.499 5.239 4.740 0.001 0.000 0.240 250 N C -0.269 175.324 175.510 0.138 0.000 1.182 250 N CA 0.476 53.582 53.050 0.094 0.000 0.874 250 N CB 0.216 38.763 38.487 0.100 0.000 1.126 250 N HN 0.307 nan 8.380 nan 0.000 0.516 251 A N -1.077 121.808 122.820 0.109 0.000 2.469 251 A HA 0.755 5.075 4.320 0.001 0.000 0.299 251 A C -0.074 177.503 177.584 -0.012 0.000 1.098 251 A CA -0.671 51.382 52.037 0.025 0.000 0.737 251 A CB 1.364 20.446 19.000 0.137 0.000 1.312 251 A HN 0.157 nan 8.150 nan 0.000 0.414 252 S N -0.852 114.763 115.700 -0.141 0.000 2.625 252 S HA 0.665 5.135 4.470 0.001 0.000 0.262 252 S C 0.694 175.286 174.600 -0.014 0.000 1.223 252 S CA 0.353 58.550 58.200 -0.005 0.000 0.993 252 S CB 0.617 63.753 63.200 -0.107 0.000 1.051 252 S HN 1.498 nan 8.310 nan 0.000 0.562 253 G N -0.547 108.140 108.800 -0.189 0.000 3.175 253 G HA2 0.637 4.598 3.960 0.001 0.000 0.255 253 G HA3 0.637 4.598 3.960 0.001 0.000 0.255 253 G C -1.289 173.373 174.900 -0.397 0.000 1.352 253 G CA -0.845 44.065 45.100 -0.317 0.000 1.037 253 G HN 0.691 nan 8.290 nan 0.000 0.556 254 I N 0.987 121.275 120.570 -0.471 0.000 2.315 254 I HA 0.335 4.505 4.170 0.001 0.000 0.291 254 I C -0.544 175.249 176.117 -0.539 0.000 1.006 254 I CA -0.303 60.624 61.300 -0.622 0.000 1.265 254 I CB 1.362 38.696 38.000 -1.110 0.000 1.387 254 I HN 0.389 nan 8.210 nan 0.000 0.475 255 N N 4.258 122.715 118.700 -0.405 0.000 2.610 255 N HA 0.462 5.202 4.740 0.001 0.000 0.264 255 N C -1.928 173.487 175.510 -0.158 0.000 1.348 255 N CA -0.941 51.943 53.050 -0.277 0.000 0.819 255 N CB 1.890 40.167 38.487 -0.350 0.000 1.521 255 N HN 0.376 nan 8.380 nan 0.000 0.497 256 D N -0.135 120.215 120.400 -0.084 0.000 2.481 256 D HA 0.748 5.389 4.640 0.001 0.000 0.244 256 D C -0.149 176.128 176.300 -0.037 0.000 1.057 256 D CA -0.401 53.575 54.000 -0.040 0.000 0.848 256 D CB 1.981 42.783 40.800 0.004 0.000 1.388 256 D HN 0.661 nan 8.370 nan 0.000 0.475 257 G N -0.828 107.957 108.800 -0.026 0.000 2.325 257 G HA2 0.622 4.582 3.960 0.001 0.000 0.297 257 G HA3 0.622 4.582 3.960 0.001 0.000 0.297 257 G C -1.980 172.918 174.900 -0.002 0.000 1.448 257 G CA -0.229 44.860 45.100 -0.019 0.000 0.838 257 G HN 0.651 nan 8.290 nan 0.000 0.579 258 A N -1.139 121.687 122.820 0.009 0.000 2.594 258 A HA 1.158 5.479 4.320 0.001 0.000 0.291 258 A C -0.302 177.296 177.584 0.023 0.000 1.105 258 A CA 0.239 52.301 52.037 0.042 0.000 0.694 258 A CB 1.497 20.556 19.000 0.099 0.000 1.291 258 A HN 2.651 nan 8.150 nan 0.000 0.410 259 A N -0.694 122.127 122.820 0.002 0.000 2.606 259 A HA 1.028 5.348 4.320 0.001 0.000 0.293 259 A C -0.571 176.943 177.584 -0.118 0.000 1.082 259 A CA 0.049 52.064 52.037 -0.037 0.000 0.685 259 A CB 1.155 20.119 19.000 -0.059 0.000 1.284 259 A HN 2.687 nan 8.150 nan 0.000 0.408 260 A N -0.219 122.557 122.820 -0.072 0.000 2.606 260 A HA 0.891 5.211 4.320 0.001 0.000 0.293 260 A C -0.798 176.748 177.584 -0.063 0.000 1.082 260 A CA 0.001 51.977 52.037 -0.102 0.000 0.685 260 A CB 1.201 20.257 19.000 0.094 0.000 1.284 260 A HN 2.360 nan 8.150 nan 0.000 0.408 261 V N -1.695 118.168 119.914 -0.084 0.000 3.007 261 V HA 0.886 5.006 4.120 0.001 0.000 0.311 261 V C -0.839 175.233 176.094 -0.037 0.000 1.120 261 V CA -0.864 61.403 62.300 -0.056 0.000 0.980 261 V CB 1.412 33.184 31.823 -0.085 0.000 1.033 261 V HN 0.897 nan 8.190 nan 0.000 0.429 262 V N 3.766 123.668 119.914 -0.021 0.000 2.398 262 V HA 0.632 4.752 4.120 0.001 0.000 0.286 262 V C -0.508 175.573 176.094 -0.021 0.000 1.026 262 V CA -0.311 61.982 62.300 -0.012 0.000 0.868 262 V CB 1.218 33.042 31.823 0.002 0.000 0.982 262 V HN 0.743 nan 8.190 nan 0.000 0.443 263 L N 6.384 127.594 121.223 -0.021 0.000 2.362 263 L HA 0.852 5.192 4.340 0.001 0.000 0.271 263 L C -0.219 176.646 176.870 -0.008 0.000 1.002 263 L CA -0.091 54.736 54.840 -0.022 0.000 0.818 263 L CB 1.850 43.887 42.059 -0.036 0.000 1.298 263 L HN 0.841 nan 8.230 nan 0.000 0.420 264 M N -0.311 119.286 119.600 -0.004 0.000 2.949 264 M HA 0.535 5.015 4.480 0.001 0.000 0.270 264 M C -1.457 174.846 176.300 0.005 0.000 1.221 264 M CA -1.110 54.192 55.300 0.003 0.000 0.818 264 M CB 1.846 34.449 32.600 0.005 0.000 1.635 264 M HN 0.181 nan 8.290 nan 0.000 0.492 265 K N 1.305 121.711 120.400 0.009 0.000 2.355 265 K HA 0.130 4.450 4.320 0.001 0.000 0.270 265 K C 0.687 177.292 176.600 0.009 0.000 1.003 265 K CA -0.082 56.211 56.287 0.011 0.000 0.957 265 K CB 1.094 33.602 32.500 0.014 0.000 0.939 265 K HN 0.653 nan 8.250 nan 0.000 0.482 266 K N 1.481 121.887 120.400 0.010 0.000 2.044 266 K HA -0.245 4.075 4.320 0.001 0.000 0.210 266 K C 1.899 178.505 176.600 0.009 0.000 1.049 266 K CA 2.348 58.640 56.287 0.010 0.000 0.927 266 K CB -0.149 32.358 32.500 0.012 0.000 0.713 266 K HN 0.703 nan 8.250 nan 0.000 0.443 267 S N 0.277 115.983 115.700 0.010 0.000 2.383 267 S HA -0.215 4.255 4.470 0.001 0.000 0.229 267 S C 1.937 176.542 174.600 0.009 0.000 1.030 267 S CA 1.598 59.803 58.200 0.009 0.000 1.002 267 S CB -0.314 62.892 63.200 0.010 0.000 0.829 267 S HN 0.460 nan 8.310 nan 0.000 0.467 268 E N 2.185 122.391 120.200 0.009 0.000 2.072 268 E HA 0.152 4.502 4.350 0.001 0.000 0.190 268 E C 2.090 178.695 176.600 0.007 0.000 0.982 268 E CA 1.190 57.595 56.400 0.009 0.000 0.803 268 E CB -0.869 28.837 29.700 0.010 0.000 0.755 268 E HN 0.557 nan 8.360 nan 0.000 0.453 269 A N 1.089 123.913 122.820 0.007 0.000 1.865 269 A HA -0.244 4.076 4.320 0.001 0.000 0.217 269 A C 1.929 179.516 177.584 0.006 0.000 1.191 269 A CA 2.095 54.135 52.037 0.006 0.000 0.623 269 A CB -0.968 18.035 19.000 0.005 0.000 0.826 269 A HN 0.309 nan 8.150 nan 0.000 0.444 270 D N -0.505 119.899 120.400 0.006 0.000 2.092 270 D HA -0.184 4.456 4.640 0.001 0.000 0.193 270 D C 1.874 178.177 176.300 0.006 0.000 0.994 270 D CA 1.683 55.687 54.000 0.006 0.000 0.828 270 D CB -0.363 40.441 40.800 0.006 0.000 0.963 270 D HN 0.596 nan 8.370 nan 0.000 0.450 271 K N 0.645 121.049 120.400 0.006 0.000 2.074 271 K HA -0.136 4.184 4.320 0.001 0.000 0.209 271 K C 1.850 178.453 176.600 0.006 0.000 1.048 271 K CA 1.120 57.410 56.287 0.006 0.000 0.926 271 K CB 0.060 32.564 32.500 0.007 0.000 0.713 271 K HN 0.006 nan 8.250 nan 0.000 0.444 272 R N -0.922 119.582 120.500 0.006 0.000 2.313 272 R HA 0.036 4.376 4.340 0.001 0.000 0.199 272 R C 0.773 177.076 176.300 0.005 0.000 0.958 272 R CA 0.531 56.635 56.100 0.006 0.000 1.047 272 R CB 0.252 30.556 30.300 0.006 0.000 0.955 272 R HN 0.493 nan 8.270 nan 0.000 0.481 273 G N 1.441 110.244 108.800 0.005 0.000 2.221 273 G HA2 -0.269 3.691 3.960 0.001 0.000 0.265 273 G HA3 -0.269 3.691 3.960 0.001 0.000 0.265 273 G C -0.113 174.790 174.900 0.005 0.000 1.041 273 G CA -0.032 45.071 45.100 0.005 0.000 0.807 273 G HN 0.177 nan 8.290 nan 0.000 0.502 274 L N 0.625 121.851 121.223 0.005 0.000 2.309 274 L HA 0.555 4.895 4.340 0.001 0.000 0.282 274 L C 0.422 177.295 176.870 0.005 0.000 1.036 274 L CA -0.763 54.080 54.840 0.006 0.000 0.806 274 L CB 1.749 43.811 42.059 0.005 0.000 1.220 274 L HN 0.115 nan 8.230 nan 0.000 0.429 275 T N 2.700 117.256 114.554 0.005 0.000 2.749 275 T HA 0.426 4.776 4.350 0.001 0.000 0.287 275 T C -2.202 172.499 174.700 0.001 0.000 0.970 275 T CA -1.165 60.936 62.100 0.003 0.000 0.980 275 T CB 1.209 70.079 68.868 0.003 0.000 0.924 275 T HN 0.407 nan 8.240 nan 0.000 0.456 276 P HA 0.383 nan 4.420 nan 0.000 0.278 276 P C 0.766 178.055 177.300 -0.017 0.000 1.258 276 P CA -0.763 62.332 63.100 -0.009 0.000 0.811 276 P CB 1.337 33.033 31.700 -0.008 0.000 1.063 277 L N -0.144 121.059 121.223 -0.034 0.000 2.046 277 L HA 0.031 4.371 4.340 0.001 0.000 0.208 277 L C 1.251 178.094 176.870 -0.045 0.000 1.077 277 L CA 1.759 56.564 54.840 -0.058 0.000 0.747 277 L CB -0.467 41.521 42.059 -0.118 0.000 0.896 277 L HN 0.560 nan 8.230 nan 0.000 0.432 278 A N -0.787 122.014 122.820 -0.032 0.000 2.586 278 A HA 0.548 4.868 4.320 0.001 0.000 0.291 278 A C -1.049 176.535 177.584 -0.001 0.000 1.062 278 A CA -0.810 51.219 52.037 -0.013 0.000 0.666 278 A CB 0.968 19.959 19.000 -0.016 0.000 1.281 278 A HN 0.163 nan 8.150 nan 0.000 0.421 279 R N 0.781 121.292 120.500 0.019 0.000 2.540 279 R HA 0.785 5.126 4.340 0.001 0.000 0.287 279 R C -1.229 175.088 176.300 0.030 0.000 0.980 279 R CA -0.553 55.561 56.100 0.023 0.000 0.966 279 R CB 0.872 31.191 30.300 0.033 0.000 1.106 279 R HN 0.536 nan 8.270 nan 0.000 0.480 280 I N 3.443 124.025 120.570 0.019 0.000 2.342 280 I HA 0.072 4.242 4.170 0.001 0.000 0.291 280 I C 0.759 176.885 176.117 0.015 0.000 1.010 280 I CA -0.473 60.839 61.300 0.019 0.000 1.308 280 I CB 1.913 39.924 38.000 0.017 0.000 1.400 280 I HN 0.554 nan 8.210 nan 0.000 0.488 281 V N 3.847 123.746 119.914 -0.026 0.000 2.922 281 V HA 0.099 4.219 4.120 0.001 0.000 0.242 281 V C 0.569 176.580 176.094 -0.138 0.000 1.094 281 V CA 0.832 63.072 62.300 -0.099 0.000 1.106 281 V CB 0.229 31.926 31.823 -0.210 0.000 0.799 281 V HN 0.901 nan 8.190 nan 0.000 0.474 282 S N -0.696 114.937 115.700 -0.111 0.000 2.627 282 S HA 0.549 5.019 4.470 0.001 0.000 0.268 282 S C -2.116 172.529 174.600 0.075 0.000 1.130 282 S CA -0.790 57.357 58.200 -0.089 0.000 0.819 282 S CB 1.750 64.799 63.200 -0.251 0.000 1.100 282 S HN 0.635 nan 8.310 nan 0.000 0.465 283 W N 0.416 121.652 121.300 -0.106 0.000 3.153 283 W HA 0.745 5.405 4.660 0.001 0.000 0.316 283 W C -1.668 174.818 176.519 -0.054 0.000 1.255 283 W CA -0.376 56.926 57.345 -0.072 0.000 1.192 283 W CB 0.624 30.052 29.460 -0.053 0.000 1.400 283 W HN 1.483 nan 8.180 nan 0.000 0.568 284 S N 1.098 116.860 115.700 0.103 0.000 2.556 284 S HA 0.650 5.120 4.470 0.001 0.000 0.271 284 S C -1.245 173.456 174.600 0.169 0.000 1.135 284 S CA -0.922 57.207 58.200 -0.119 0.000 0.858 284 S CB 2.412 65.549 63.200 -0.105 0.000 1.114 284 S HN 0.628 nan 8.310 nan 0.000 0.468 285 Q N 0.389 120.243 119.800 0.090 0.000 2.347 285 Q HA 0.813 5.154 4.340 0.001 0.000 0.271 285 Q C -0.793 175.240 176.000 0.056 0.000 1.064 285 Q CA -1.189 54.708 55.803 0.157 0.000 0.800 285 Q CB 2.063 30.967 28.738 0.276 0.000 1.304 285 Q HN 1.101 nan 8.270 nan 0.000 0.438 286 V N -1.825 118.120 119.914 0.052 0.000 3.130 286 V HA 0.984 5.104 4.120 0.001 0.000 0.310 286 V C -0.433 175.677 176.094 0.027 0.000 1.158 286 V CA -0.405 61.910 62.300 0.024 0.000 1.029 286 V CB 1.773 33.603 31.823 0.013 0.000 1.057 286 V HN 0.917 nan 8.190 nan 0.000 0.436 287 G N 0.367 109.174 108.800 0.013 0.000 2.448 287 G HA2 0.830 4.790 3.960 0.001 0.000 0.324 287 G HA3 0.830 4.790 3.960 0.001 0.000 0.324 287 G C -0.731 174.167 174.900 -0.003 0.000 1.203 287 G CA -0.232 44.871 45.100 0.004 0.000 0.954 287 G HN 1.934 nan 8.290 nan 0.000 0.480 288 V N -1.028 118.881 119.914 -0.008 0.000 3.165 288 V HA 0.736 4.857 4.120 0.001 0.000 0.309 288 V C -0.633 175.447 176.094 -0.023 0.000 1.267 288 V CA -1.497 60.800 62.300 -0.004 0.000 1.067 288 V CB 1.552 33.381 31.823 0.010 0.000 1.082 288 V HN 0.635 nan 8.190 nan 0.000 0.451 289 E N 2.207 122.403 120.200 -0.006 0.000 2.376 289 E HA 0.284 4.635 4.350 0.001 0.000 0.266 289 E C -1.968 174.641 176.600 0.015 0.000 1.009 289 E CA -1.228 55.166 56.400 -0.010 0.000 0.902 289 E CB 0.900 30.615 29.700 0.025 0.000 0.972 289 E HN 0.572 nan 8.360 nan 0.000 0.439 290 P HA -0.232 nan 4.420 nan 0.000 0.218 290 P C 1.051 178.446 177.300 0.158 0.000 1.148 290 P CA 1.360 64.526 63.100 0.109 0.000 0.822 290 P CB 0.102 31.901 31.700 0.165 0.000 0.784 291 S N -0.155 115.631 115.700 0.143 0.000 2.442 291 S HA -0.112 4.359 4.470 0.001 0.000 0.236 291 S C 1.355 175.949 174.600 -0.011 0.000 1.007 291 S CA 1.025 59.211 58.200 -0.025 0.000 0.965 291 S CB -1.279 61.814 63.200 -0.179 0.000 0.773 291 S HN 0.362 nan 8.310 nan 0.000 0.504 292 I N -1.492 119.093 120.570 0.026 0.000 2.979 292 I HA 0.441 4.611 4.170 0.001 0.000 0.337 292 I C 1.034 177.145 176.117 -0.010 0.000 1.453 292 I CA -0.868 60.444 61.300 0.020 0.000 0.891 292 I CB 0.416 38.479 38.000 0.104 0.000 1.887 292 I HN 0.078 nan 8.210 nan 0.000 0.546 293 M N 0.515 120.115 119.600 0.000 0.000 2.202 293 M HA 0.132 4.612 4.480 0.001 0.000 0.262 293 M C 1.930 178.217 176.300 -0.022 0.000 1.063 293 M CA 2.184 57.488 55.300 0.007 0.000 1.097 293 M CB -1.607 31.018 32.600 0.041 0.000 1.382 293 M HN 0.275 nan 8.290 nan 0.000 0.413 294 G N 1.894 110.666 108.800 -0.048 0.000 2.503 294 G HA2 -0.192 3.768 3.960 0.001 0.000 0.221 294 G HA3 -0.192 3.768 3.960 0.001 0.000 0.221 294 G C 1.270 176.079 174.900 -0.152 0.000 1.131 294 G CA 1.476 46.530 45.100 -0.076 0.000 0.756 294 G HN 0.786 nan 8.290 nan 0.000 0.572 295 I N -0.031 120.407 120.570 -0.219 0.000 3.735 295 I HA 0.369 4.539 4.170 0.001 0.000 0.310 295 I C 2.173 178.211 176.117 -0.132 0.000 1.270 295 I CA -0.522 60.606 61.300 -0.286 0.000 1.207 295 I CB -0.797 36.896 38.000 -0.511 0.000 1.013 295 I HN -0.042 nan 8.210 nan 0.000 0.452 296 G N 2.514 111.271 108.800 -0.070 0.000 2.556 296 G HA2 -0.223 3.738 3.960 0.001 0.000 0.220 296 G HA3 -0.223 3.738 3.960 0.001 0.000 0.220 296 G C -0.355 174.535 174.900 -0.017 0.000 1.156 296 G CA 1.138 46.224 45.100 -0.025 0.000 0.766 296 G HN 0.418 nan 8.290 nan 0.000 0.583 297 P HA 0.003 nan 4.420 nan 0.000 0.222 297 P C 1.753 179.047 177.300 -0.009 0.000 1.147 297 P CA 0.517 63.612 63.100 -0.007 0.000 0.790 297 P CB -0.014 31.674 31.700 -0.020 0.000 0.780 298 I N 0.937 121.484 120.570 -0.039 0.000 2.090 298 I HA -0.148 4.022 4.170 0.001 0.000 0.236 298 I C -0.373 175.753 176.117 0.014 0.000 1.064 298 I CA 1.906 63.195 61.300 -0.020 0.000 1.324 298 I CB -2.036 35.944 38.000 -0.032 0.000 1.044 298 I HN 0.028 nan 8.210 nan 0.000 0.399 299 P HA -0.182 nan 4.420 nan 0.000 0.216 299 P C 1.382 178.693 177.300 0.018 0.000 1.150 299 P CA 2.059 65.171 63.100 0.019 0.000 0.837 299 P CB -0.082 31.629 31.700 0.017 0.000 0.786 300 A N -0.045 122.789 122.820 0.023 0.000 1.877 300 A HA -0.162 4.158 4.320 0.001 0.000 0.216 300 A C 2.371 179.981 177.584 0.044 0.000 1.186 300 A CA 1.534 53.591 52.037 0.033 0.000 0.620 300 A CB -1.555 17.474 19.000 0.049 0.000 0.822 300 A HN 0.129 nan 8.150 nan 0.000 0.443 301 I N -0.770 119.838 120.570 0.063 0.000 2.202 301 I HA -0.241 3.929 4.170 0.001 0.000 0.242 301 I C 2.477 178.648 176.117 0.090 0.000 1.091 301 I CA 1.527 62.890 61.300 0.106 0.000 1.368 301 I CB -0.258 37.833 38.000 0.151 0.000 1.058 301 I HN 0.261 nan 8.210 nan 0.000 0.410 302 K N 0.484 120.925 120.400 0.067 0.000 2.032 302 K HA -0.246 4.074 4.320 0.001 0.000 0.209 302 K C 2.165 178.779 176.600 0.023 0.000 1.048 302 K CA 1.590 57.910 56.287 0.056 0.000 0.927 302 K CB -0.200 32.326 32.500 0.044 0.000 0.712 302 K HN 0.387 nan 8.250 nan 0.000 0.441 303 Q N -0.114 119.685 119.800 -0.001 0.000 2.079 303 Q HA -0.119 4.221 4.340 0.001 0.000 0.200 303 Q C 2.226 178.181 176.000 -0.076 0.000 0.974 303 Q CA 1.350 57.128 55.803 -0.042 0.000 0.840 303 Q CB -0.141 28.562 28.738 -0.059 0.000 0.898 303 Q HN 0.357 nan 8.270 nan 0.000 0.430 304 A N 0.461 123.244 122.820 -0.060 0.000 1.873 304 A HA -0.123 4.198 4.320 0.001 0.000 0.215 304 A C 2.358 179.844 177.584 -0.163 0.000 1.186 304 A CA 1.232 53.205 52.037 -0.107 0.000 0.616 304 A CB -0.756 18.220 19.000 -0.041 0.000 0.823 304 A HN 0.195 nan 8.150 nan 0.000 0.442 305 V N -0.176 119.697 119.914 -0.069 0.000 2.332 305 V HA -0.250 3.870 4.120 0.001 0.000 0.248 305 V C 2.766 178.829 176.094 -0.051 0.000 1.055 305 V CA 2.548 64.833 62.300 -0.025 0.000 1.038 305 V CB -1.235 30.686 31.823 0.163 0.000 0.651 305 V HN 0.612 nan 8.190 nan 0.000 0.450 306 T N -0.498 114.039 114.554 -0.029 0.000 2.708 306 T HA -0.206 4.144 4.350 0.001 0.000 0.266 306 T C 1.913 176.558 174.700 -0.092 0.000 1.037 306 T CA 1.471 63.551 62.100 -0.032 0.000 1.146 306 T CB -0.231 68.622 68.868 -0.024 0.000 0.865 306 T HN 0.465 nan 8.240 nan 0.000 0.435 307 K N 1.035 121.350 120.400 -0.142 0.000 2.209 307 K HA 0.054 4.374 4.320 0.001 0.000 0.204 307 K C 2.390 178.850 176.600 -0.234 0.000 1.048 307 K CA 1.040 57.222 56.287 -0.175 0.000 0.940 307 K CB -0.156 32.221 32.500 -0.206 0.000 0.729 307 K HN 0.278 nan 8.250 nan 0.000 0.451 308 A N 0.474 123.071 122.820 -0.373 0.000 2.167 308 A HA 0.112 4.432 4.320 0.001 0.000 0.214 308 A C 1.432 178.782 177.584 -0.391 0.000 1.151 308 A CA 0.992 52.657 52.037 -0.620 0.000 0.735 308 A CB -0.296 17.831 19.000 -1.455 0.000 0.802 308 A HN 0.409 nan 8.150 nan 0.000 0.467 309 G N -2.925 105.785 108.800 -0.150 0.000 2.137 309 G HA2 -0.218 3.742 3.960 0.001 0.000 0.237 309 G HA3 -0.218 3.742 3.960 0.001 0.000 0.237 309 G C -0.303 174.761 174.900 0.274 0.000 1.002 309 G CA 0.217 45.348 45.100 0.050 0.000 0.702 309 G HN 0.352 nan 8.290 nan 0.000 0.515 310 W N 0.807 122.106 121.300 -0.002 0.000 2.578 310 W HA 0.778 5.439 4.660 0.000 0.000 0.353 310 W C 0.840 177.366 176.519 0.012 0.000 1.088 310 W CA -1.071 56.274 57.345 0.000 0.000 1.235 310 W CB 1.229 30.685 29.460 -0.006 0.000 1.362 310 W HN 0.558 nan 8.180 nan 0.000 0.592 311 S N 0.886 116.728 115.700 0.237 0.000 2.672 311 S HA 0.368 4.838 4.470 0.001 0.000 0.276 311 S C 0.934 175.643 174.600 0.182 0.000 1.207 311 S CA -0.589 57.709 58.200 0.163 0.000 1.002 311 S CB 0.936 64.192 63.200 0.094 0.000 0.998 311 S HN 0.460 nan 8.310 nan 0.000 0.542 312 L N 0.742 122.072 121.223 0.178 0.000 2.127 312 L HA -0.109 4.231 4.340 0.001 0.000 0.211 312 L C 2.545 179.526 176.870 0.185 0.000 1.089 312 L CA 1.294 56.272 54.840 0.230 0.000 0.757 312 L CB -0.547 41.639 42.059 0.212 0.000 0.899 312 L HN 0.699 nan 8.230 nan 0.000 0.434 313 E N -0.052 120.210 120.200 0.105 0.000 2.204 313 E HA -0.201 4.149 4.350 0.001 0.000 0.195 313 E C 1.677 178.268 176.600 -0.016 0.000 0.990 313 E CA 0.922 57.355 56.400 0.056 0.000 0.821 313 E CB -0.286 29.432 29.700 0.031 0.000 0.750 313 E HN 0.492 nan 8.360 nan 0.000 0.477 314 D N 0.281 120.641 120.400 -0.067 0.000 2.263 314 D HA -0.071 4.569 4.640 0.001 0.000 0.208 314 D C 0.377 176.462 176.300 -0.358 0.000 0.971 314 D CA 0.307 54.159 54.000 -0.246 0.000 0.867 314 D CB 0.153 40.730 40.800 -0.370 0.000 0.929 314 D HN -0.015 nan 8.370 nan 0.000 0.492 315 V N 2.725 122.500 119.914 -0.232 0.000 2.479 315 V HA -0.028 4.093 4.120 0.001 0.000 0.281 315 V C 1.228 177.161 176.094 -0.268 0.000 1.031 315 V CA 0.011 62.096 62.300 -0.359 0.000 1.038 315 V CB 1.296 32.782 31.823 -0.563 0.000 0.981 315 V HN -0.020 nan 8.190 nan 0.000 0.478 316 D N 3.852 124.088 120.400 -0.275 0.000 2.137 316 D HA 0.120 4.760 4.640 0.001 0.000 0.202 316 D C 0.430 176.668 176.300 -0.104 0.000 0.970 316 D CA 1.489 55.396 54.000 -0.156 0.000 0.837 316 D CB 0.579 41.290 40.800 -0.149 0.000 0.981 316 D HN 0.452 nan 8.370 nan 0.000 0.475 317 I N -0.003 120.457 120.570 -0.183 0.000 2.569 317 I HA 0.229 4.399 4.170 0.001 0.000 0.290 317 I C -1.146 174.855 176.117 -0.193 0.000 1.088 317 I CA -0.698 60.555 61.300 -0.080 0.000 1.047 317 I CB 2.261 40.241 38.000 -0.034 0.000 1.237 317 I HN -0.315 nan 8.210 nan 0.000 0.421 318 F N 3.906 123.879 119.950 0.038 0.000 2.450 318 F HA 0.477 5.005 4.527 0.000 0.000 0.332 318 F C 0.421 176.245 175.800 0.039 0.000 1.093 318 F CA -0.611 57.416 58.000 0.045 0.000 1.003 318 F CB 1.568 40.591 39.000 0.039 0.000 1.151 318 F HN 0.281 nan 8.300 nan 0.000 0.474 319 E N 4.186 124.517 120.200 0.219 0.000 2.145 319 E HA 0.429 4.779 4.350 0.001 0.000 0.262 319 E C -0.931 175.747 176.600 0.131 0.000 0.883 319 E CA -0.272 56.214 56.400 0.143 0.000 0.748 319 E CB 2.140 31.895 29.700 0.092 0.000 1.140 319 E HN 0.514 nan 8.360 nan 0.000 0.417 320 I N 3.065 123.690 120.570 0.092 0.000 2.411 320 I HA 0.134 4.305 4.170 0.001 0.000 0.284 320 I C 0.167 176.281 176.117 -0.005 0.000 1.012 320 I CA -0.883 60.444 61.300 0.045 0.000 1.119 320 I CB 1.310 39.320 38.000 0.015 0.000 1.261 320 I HN 0.240 nan 8.210 nan 0.000 0.448 321 N N 4.867 123.547 118.700 -0.034 0.000 2.359 321 N HA -0.107 4.633 4.740 0.001 0.000 0.261 321 N C 0.185 175.624 175.510 -0.119 0.000 1.267 321 N CA 0.741 53.731 53.050 -0.101 0.000 0.864 321 N CB 0.623 39.014 38.487 -0.160 0.000 1.063 321 N HN 0.523 nan 8.380 nan 0.000 0.474 322 E N 2.960 123.080 120.200 -0.134 0.000 2.280 322 E HA 0.209 4.560 4.350 0.001 0.000 0.279 322 E C 0.609 177.090 176.600 -0.198 0.000 1.325 322 E CA -0.429 55.908 56.400 -0.105 0.000 1.486 322 E CB -0.177 29.493 29.700 -0.051 0.000 1.466 322 E HN 0.748 nan 8.360 nan 0.000 0.473 323 A N 2.198 124.855 122.820 -0.272 0.000 1.908 323 A HA -0.097 4.223 4.320 0.001 0.000 0.218 323 A C 0.285 177.426 177.584 -0.737 0.000 1.181 323 A CA 1.185 52.944 52.037 -0.464 0.000 0.627 323 A CB 0.005 18.840 19.000 -0.275 0.000 0.818 323 A HN 0.405 nan 8.150 nan 0.000 0.445 324 F N -3.983 115.955 119.950 -0.020 0.000 2.581 324 F HA 0.581 5.109 4.527 0.001 0.000 0.311 324 F C 1.017 176.815 175.800 -0.003 0.000 1.113 324 F CA -0.492 57.515 58.000 0.011 0.000 0.935 324 F CB 1.531 40.539 39.000 0.013 0.000 1.232 324 F HN 0.053 nan 8.300 nan 0.000 0.445 325 A N 2.022 124.945 122.820 0.171 0.000 1.948 325 A HA -0.115 4.205 4.320 0.001 0.000 0.220 325 A C 2.252 179.894 177.584 0.097 0.000 1.177 325 A CA 2.351 54.451 52.037 0.105 0.000 0.636 325 A CB -1.037 18.017 19.000 0.091 0.000 0.815 325 A HN 0.951 nan 8.150 nan 0.000 0.449 326 A N -0.864 122.035 122.820 0.132 0.000 1.940 326 A HA -0.023 4.297 4.320 0.001 0.000 0.219 326 A C 2.241 179.835 177.584 0.016 0.000 1.176 326 A CA 1.989 54.069 52.037 0.073 0.000 0.631 326 A CB -0.759 18.273 19.000 0.054 0.000 0.814 326 A HN 0.425 nan 8.150 nan 0.000 0.446 327 V N 0.432 120.366 119.914 0.034 0.000 2.379 327 V HA -0.163 3.958 4.120 0.001 0.000 0.243 327 V C 2.968 179.015 176.094 -0.079 0.000 1.035 327 V CA 2.107 64.378 62.300 -0.049 0.000 1.035 327 V CB -0.610 31.230 31.823 0.029 0.000 0.673 327 V HN 0.794 nan 8.190 nan 0.000 0.457 328 S N 1.424 117.110 115.700 -0.023 0.000 2.368 328 S HA -0.146 4.324 4.470 0.001 0.000 0.224 328 S C 2.148 176.711 174.600 -0.061 0.000 1.029 328 S CA 1.326 59.498 58.200 -0.047 0.000 0.988 328 S CB -0.658 62.529 63.200 -0.021 0.000 0.838 328 S HN 0.540 nan 8.310 nan 0.000 0.462 329 A N 2.342 125.143 122.820 -0.031 0.000 1.908 329 A HA 0.184 4.504 4.320 0.001 0.000 0.218 329 A C 2.548 180.103 177.584 -0.048 0.000 1.181 329 A CA 2.005 54.029 52.037 -0.022 0.000 0.627 329 A CB -1.515 17.494 19.000 0.015 0.000 0.818 329 A HN 0.902 nan 8.150 nan 0.000 0.445 330 A N -0.415 122.343 122.820 -0.104 0.000 1.930 330 A HA -0.019 4.301 4.320 0.001 0.000 0.217 330 A C 2.105 179.509 177.584 -0.300 0.000 1.175 330 A CA 1.447 53.352 52.037 -0.220 0.000 0.627 330 A CB -0.534 18.192 19.000 -0.456 0.000 0.815 330 A HN 0.501 nan 8.150 nan 0.000 0.443 331 I N -0.685 119.729 120.570 -0.260 0.000 2.202 331 I HA -0.179 3.991 4.170 0.001 0.000 0.242 331 I C 2.316 178.341 176.117 -0.154 0.000 1.091 331 I CA 0.948 62.115 61.300 -0.222 0.000 1.368 331 I CB -0.251 37.639 38.000 -0.184 0.000 1.058 331 I HN 0.134 nan 8.210 nan 0.000 0.410 332 V N 0.849 120.680 119.914 -0.137 0.000 2.407 332 V HA -0.300 3.820 4.120 0.001 0.000 0.248 332 V C 2.515 178.569 176.094 -0.066 0.000 1.055 332 V CA 1.770 63.993 62.300 -0.128 0.000 1.049 332 V CB -0.668 31.092 31.823 -0.105 0.000 0.662 332 V HN 0.381 nan 8.190 nan 0.000 0.455 333 K N -0.044 120.344 120.400 -0.020 0.000 2.025 333 K HA -0.246 4.075 4.320 0.001 0.000 0.207 333 K C 2.256 178.900 176.600 0.073 0.000 1.049 333 K CA 1.967 58.280 56.287 0.043 0.000 0.933 333 K CB -0.028 32.533 32.500 0.102 0.000 0.714 333 K HN 0.501 nan 8.250 nan 0.000 0.438 334 E N 0.896 121.157 120.200 0.103 0.000 2.072 334 E HA -0.131 4.219 4.350 0.001 0.000 0.191 334 E C 1.848 178.489 176.600 0.070 0.000 0.985 334 E CA 1.198 57.691 56.400 0.155 0.000 0.801 334 E CB -0.155 29.689 29.700 0.239 0.000 0.750 334 E HN 0.292 nan 8.360 nan 0.000 0.452 335 L N -0.508 120.719 121.223 0.006 0.000 2.478 335 L HA 0.175 4.515 4.340 0.001 0.000 0.223 335 L C 1.338 178.197 176.870 -0.018 0.000 1.140 335 L CA 0.390 55.221 54.840 -0.016 0.000 0.842 335 L CB -0.416 41.597 42.059 -0.076 0.000 0.953 335 L HN 0.470 nan 8.230 nan 0.000 0.452 336 G N 1.219 110.008 108.800 -0.018 0.000 2.272 336 G HA2 -0.268 3.692 3.960 0.001 0.000 0.280 336 G HA3 -0.268 3.692 3.960 0.001 0.000 0.280 336 G C 0.077 174.958 174.900 -0.032 0.000 1.067 336 G CA -0.156 44.938 45.100 -0.010 0.000 0.902 336 G HN 0.234 nan 8.290 nan 0.000 0.500 337 L N -0.217 120.951 121.223 -0.091 0.000 2.417 337 L HA 0.294 4.635 4.340 0.001 0.000 0.268 337 L C 0.962 177.798 176.870 -0.056 0.000 1.158 337 L CA -1.031 53.733 54.840 -0.127 0.000 0.819 337 L CB 0.625 42.466 42.059 -0.363 0.000 1.112 337 L HN 0.207 nan 8.230 nan 0.000 0.458 338 N N 4.413 123.111 118.700 -0.004 0.000 2.438 338 N HA 0.053 4.794 4.740 0.001 0.000 0.267 338 N C -1.565 173.955 175.510 0.017 0.000 1.222 338 N CA -1.624 51.438 53.050 0.019 0.000 0.930 338 N CB 1.039 39.555 38.487 0.048 0.000 1.083 338 N HN 0.323 nan 8.380 nan 0.000 0.476 339 P HA -0.083 nan 4.420 nan 0.000 0.225 339 P C 0.276 177.597 177.300 0.035 0.000 1.148 339 P CA 0.938 64.045 63.100 0.012 0.000 0.779 339 P CB 0.482 32.188 31.700 0.009 0.000 0.780 340 E N -0.161 120.062 120.200 0.039 0.000 2.511 340 E HA -0.035 4.315 4.350 0.001 0.000 0.196 340 E C 1.485 178.125 176.600 0.067 0.000 1.066 340 E CA 0.682 57.110 56.400 0.046 0.000 0.871 340 E CB -0.326 29.394 29.700 0.034 0.000 0.863 340 E HN 0.312 nan 8.360 nan 0.000 0.520 341 K N -0.535 119.924 120.400 0.099 0.000 2.358 341 K HA 0.190 4.510 4.320 0.001 0.000 0.200 341 K C -0.483 176.253 176.600 0.227 0.000 1.030 341 K CA 0.034 56.418 56.287 0.163 0.000 1.097 341 K CB 1.460 34.108 32.500 0.247 0.000 0.862 341 K HN -0.121 nan 8.250 nan 0.000 0.534 342 V N 2.769 122.774 119.914 0.152 0.000 2.409 342 V HA 0.149 4.269 4.120 0.001 0.000 0.291 342 V C -0.528 175.629 176.094 0.105 0.000 1.020 342 V CA -1.089 61.296 62.300 0.142 0.000 0.848 342 V CB 1.255 33.094 31.823 0.027 0.000 0.990 342 V HN 0.383 nan 8.190 nan 0.000 0.430 343 N N 2.935 121.707 118.700 0.121 0.000 2.688 343 N HA -0.210 4.530 4.740 0.001 0.000 0.258 343 N C 0.774 176.344 175.510 0.101 0.000 1.016 343 N CA 1.178 54.290 53.050 0.103 0.000 0.747 343 N CB -0.647 37.886 38.487 0.077 0.000 0.895 343 N HN 0.932 nan 8.380 nan 0.000 0.543 344 I N -2.607 118.024 120.570 0.103 0.000 2.761 344 I HA -0.016 4.154 4.170 0.001 0.000 0.261 344 I C 1.108 177.284 176.117 0.098 0.000 1.198 344 I CA 0.977 62.330 61.300 0.087 0.000 1.482 344 I CB 0.085 38.128 38.000 0.071 0.000 1.100 344 I HN -0.045 nan 8.210 nan 0.000 0.445 345 E N 2.546 122.828 120.200 0.136 0.000 2.476 345 E HA 0.294 4.644 4.350 0.001 0.000 0.191 345 E C 1.064 177.813 176.600 0.249 0.000 1.064 345 E CA 0.624 57.130 56.400 0.175 0.000 0.866 345 E CB -0.061 29.799 29.700 0.267 0.000 0.952 345 E HN 0.665 nan 8.360 nan 0.000 0.492 346 G N 0.008 108.911 108.800 0.171 0.000 2.707 346 G HA2 0.013 3.973 3.960 0.001 0.000 0.686 346 G HA3 0.013 3.973 3.960 0.001 0.000 0.686 346 G C 0.036 175.018 174.900 0.136 0.000 1.315 346 G CA -0.646 44.543 45.100 0.149 0.000 0.832 346 G HN 0.440 nan 8.290 nan 0.000 0.573 347 G N -1.711 107.144 108.800 0.091 0.000 3.211 347 G HA2 0.829 4.789 3.960 0.001 0.000 0.262 347 G HA3 0.829 4.789 3.960 0.001 0.000 0.262 347 G C 1.209 176.136 174.900 0.045 0.000 1.352 347 G CA 0.930 46.063 45.100 0.055 0.000 1.004 347 G HN 2.034 nan 8.290 nan 0.000 0.559 348 A N -0.821 121.998 122.820 -0.002 0.000 2.070 348 A HA 0.024 4.345 4.320 0.001 0.000 0.220 348 A C 2.267 179.899 177.584 0.080 0.000 1.159 348 A CA 1.251 53.285 52.037 -0.005 0.000 0.656 348 A CB -0.573 18.349 19.000 -0.131 0.000 0.800 348 A HN 0.516 nan 8.150 nan 0.000 0.453 349 I N -0.460 120.147 120.570 0.061 0.000 2.163 349 I HA -0.328 3.842 4.170 0.001 0.000 0.243 349 I C 2.909 179.108 176.117 0.137 0.000 1.085 349 I CA 1.365 62.725 61.300 0.100 0.000 1.347 349 I CB -0.246 37.781 38.000 0.044 0.000 1.044 349 I HN 0.377 nan 8.210 nan 0.000 0.408 350 A N 0.153 123.030 122.820 0.095 0.000 1.903 350 A HA 0.017 4.337 4.320 0.001 0.000 0.213 350 A C 2.190 179.894 177.584 0.199 0.000 1.185 350 A CA 0.992 53.065 52.037 0.061 0.000 0.628 350 A CB -0.487 18.554 19.000 0.068 0.000 0.830 350 A HN 0.364 nan 8.150 nan 0.000 0.446 351 L N -1.495 119.856 121.223 0.214 0.000 2.416 351 L HA 0.328 4.668 4.340 0.001 0.000 0.216 351 L C 1.236 178.223 176.870 0.195 0.000 1.098 351 L CA 0.563 55.500 54.840 0.161 0.000 0.840 351 L CB -0.260 41.803 42.059 0.007 0.000 0.981 351 L HN 0.625 nan 8.230 nan 0.000 0.462 352 G N -0.496 108.414 108.800 0.183 0.000 2.663 352 G HA2 -0.208 3.752 3.960 0.001 0.000 0.686 352 G HA3 -0.208 3.752 3.960 0.001 0.000 0.686 352 G C -1.078 173.763 174.900 -0.099 0.000 1.288 352 G CA -0.643 44.317 45.100 -0.233 0.000 0.836 352 G HN 0.275 nan 8.290 nan 0.000 0.584 353 H N 0.938 119.830 119.070 -0.297 0.000 2.538 353 H HA 0.552 5.108 4.556 0.000 0.000 0.239 353 H C -2.573 172.634 175.328 -0.202 0.000 1.401 353 H CA -1.992 53.930 56.048 -0.211 0.000 1.499 353 H CB 1.250 30.884 29.762 -0.213 0.000 1.624 353 H HN 0.410 nan 8.280 nan 0.000 0.524 354 P HA 0.081 nan 4.420 nan 0.000 0.277 354 P C 1.215 178.377 177.300 -0.230 0.000 1.354 354 P CA -0.202 62.779 63.100 -0.198 0.000 0.891 354 P CB 0.639 32.278 31.700 -0.102 0.000 1.058 355 L N 2.473 123.463 121.223 -0.388 0.000 1.997 355 L HA -0.283 4.057 4.340 0.001 0.000 0.227 355 L C 2.610 179.399 176.870 -0.137 0.000 1.087 355 L CA 2.465 57.070 54.840 -0.392 0.000 0.797 355 L CB -1.745 40.133 42.059 -0.302 0.000 0.902 355 L HN 0.410 nan 8.230 nan 0.000 0.441 356 G N -1.355 107.406 108.800 -0.066 0.000 2.471 356 G HA2 -0.056 3.904 3.960 0.001 0.000 0.219 356 G HA3 -0.056 3.904 3.960 0.001 0.000 0.219 356 G C 1.612 176.506 174.900 -0.009 0.000 1.125 356 G CA 0.788 45.891 45.100 0.005 0.000 0.775 356 G HN 0.527 nan 8.290 nan 0.000 0.548 357 A N 0.202 123.010 122.820 -0.020 0.000 1.997 357 A HA 0.284 4.604 4.320 0.001 0.000 0.212 357 A C 2.563 180.127 177.584 -0.032 0.000 1.178 357 A CA 1.501 53.517 52.037 -0.036 0.000 0.698 357 A CB -0.316 18.670 19.000 -0.023 0.000 0.842 357 A HN 0.215 nan 8.150 nan 0.000 0.458 358 S N 0.131 115.843 115.700 0.020 0.000 2.387 358 S HA -0.154 4.316 4.470 0.001 0.000 0.230 358 S C 2.012 176.617 174.600 0.008 0.000 1.035 358 S CA 1.390 59.626 58.200 0.059 0.000 1.014 358 S CB -0.558 62.779 63.200 0.229 0.000 0.836 358 S HN 0.771 nan 8.310 nan 0.000 0.466 359 G N -0.439 108.356 108.800 -0.008 0.000 2.418 359 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 359 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 359 G C 1.699 176.560 174.900 -0.064 0.000 1.158 359 G CA 1.106 46.185 45.100 -0.034 0.000 0.771 359 G HN 0.604 nan 8.290 nan 0.000 0.545 360 C N -0.250 118.990 119.300 -0.100 0.000 2.492 360 C HA 0.251 4.711 4.460 0.001 0.000 0.279 360 C C 2.764 177.708 174.990 -0.076 0.000 1.335 360 C CA 0.707 59.651 59.018 -0.124 0.000 1.734 360 C CB -0.697 26.913 27.740 -0.216 0.000 2.027 360 C HN 0.400 nan 8.230 nan 0.000 0.496 361 R N 1.753 122.219 120.500 -0.057 0.000 2.103 361 R HA -0.152 4.189 4.340 0.001 0.000 0.242 361 R C 1.970 178.267 176.300 -0.006 0.000 1.142 361 R CA 2.470 58.553 56.100 -0.029 0.000 0.960 361 R CB -0.962 29.321 30.300 -0.029 0.000 0.858 361 R HN 0.814 nan 8.270 nan 0.000 0.439 362 I N -1.323 119.243 120.570 -0.006 0.000 2.546 362 I HA -0.137 4.033 4.170 0.001 0.000 0.255 362 I C 2.162 178.293 176.117 0.023 0.000 1.163 362 I CA 0.827 62.137 61.300 0.017 0.000 1.457 362 I CB -0.344 37.663 38.000 0.013 0.000 1.092 362 I HN 0.020 nan 8.210 nan 0.000 0.434 363 L N 1.161 122.383 121.223 -0.003 0.000 2.056 363 L HA -0.037 4.303 4.340 0.001 0.000 0.207 363 L C 2.406 179.269 176.870 -0.012 0.000 1.078 363 L CA 1.638 56.469 54.840 -0.015 0.000 0.749 363 L CB -0.539 41.492 42.059 -0.047 0.000 0.901 363 L HN 0.090 nan 8.230 nan 0.000 0.433 364 V N -0.420 119.498 119.914 0.006 0.000 2.332 364 V HA -0.330 3.791 4.120 0.001 0.000 0.248 364 V C 2.477 178.663 176.094 0.153 0.000 1.055 364 V CA 2.348 64.684 62.300 0.062 0.000 1.038 364 V CB -1.059 30.819 31.823 0.092 0.000 0.651 364 V HN 0.566 nan 8.190 nan 0.000 0.450 365 T N 0.155 114.794 114.554 0.141 0.000 2.737 365 T HA -0.144 4.206 4.350 0.001 0.000 0.265 365 T C 1.895 176.683 174.700 0.146 0.000 1.038 365 T CA 1.594 63.813 62.100 0.200 0.000 1.144 365 T CB -0.358 68.622 68.868 0.186 0.000 0.866 365 T HN 0.293 nan 8.240 nan 0.000 0.434 366 L N 1.182 122.452 121.223 0.080 0.000 1.997 366 L HA -0.114 4.226 4.340 0.001 0.000 0.216 366 L C 2.146 179.017 176.870 0.003 0.000 1.074 366 L CA 1.783 56.648 54.840 0.042 0.000 0.763 366 L CB -0.788 41.283 42.059 0.021 0.000 0.890 366 L HN 0.260 nan 8.230 nan 0.000 0.434 367 L N -1.680 119.510 121.223 -0.055 0.000 2.056 367 L HA -0.191 4.149 4.340 0.001 0.000 0.207 367 L C 2.619 179.380 176.870 -0.182 0.000 1.078 367 L CA 0.944 55.693 54.840 -0.150 0.000 0.749 367 L CB -0.861 41.042 42.059 -0.260 0.000 0.901 367 L HN 0.402 nan 8.230 nan 0.000 0.433 368 H N -0.917 118.165 119.070 0.019 0.000 2.428 368 H HA -0.072 4.485 4.556 0.001 0.000 0.296 368 H C 2.319 177.639 175.328 -0.014 0.000 1.062 368 H CA 1.683 57.739 56.048 0.013 0.000 1.350 368 H CB -0.235 29.553 29.762 0.043 0.000 1.403 368 H HN 0.289 nan 8.280 nan 0.000 0.533 369 T N 1.527 116.137 114.554 0.093 0.000 2.737 369 T HA -0.069 4.281 4.350 0.001 0.000 0.265 369 T C 2.466 177.155 174.700 -0.019 0.000 1.038 369 T CA 0.631 62.741 62.100 0.016 0.000 1.144 369 T CB -0.308 68.580 68.868 0.033 0.000 0.866 369 T HN 0.165 nan 8.240 nan 0.000 0.434 370 L N 0.725 121.937 121.223 -0.018 0.000 2.042 370 L HA -0.144 4.196 4.340 0.001 0.000 0.210 370 L C 2.804 179.653 176.870 -0.036 0.000 1.076 370 L CA 1.577 56.395 54.840 -0.036 0.000 0.749 370 L CB -0.505 41.529 42.059 -0.042 0.000 0.893 370 L HN 0.370 nan 8.230 nan 0.000 0.432 371 E N 0.380 120.564 120.200 -0.026 0.000 2.051 371 E HA -0.291 4.060 4.350 0.001 0.000 0.192 371 E C 2.383 178.971 176.600 -0.020 0.000 0.991 371 E CA 1.355 57.746 56.400 -0.015 0.000 0.799 371 E CB 0.002 29.711 29.700 0.014 0.000 0.748 371 E HN 0.285 nan 8.360 nan 0.000 0.449 372 R N -0.202 120.280 120.500 -0.030 0.000 2.092 372 R HA -0.057 4.284 4.340 0.001 0.000 0.231 372 R C 2.050 178.297 176.300 -0.088 0.000 1.119 372 R CA 1.435 57.491 56.100 -0.073 0.000 0.970 372 R CB -0.020 30.195 30.300 -0.143 0.000 0.864 372 R HN 0.258 nan 8.270 nan 0.000 0.440 373 M N -0.398 119.154 119.600 -0.080 0.000 2.495 373 M HA 0.180 4.660 4.480 0.001 0.000 0.237 373 M C 0.757 177.026 176.300 -0.051 0.000 1.131 373 M CA 0.632 55.890 55.300 -0.070 0.000 1.032 373 M CB 0.897 33.458 32.600 -0.065 0.000 1.513 373 M HN 0.408 nan 8.290 nan 0.000 0.488 374 G N 2.602 111.375 108.800 -0.045 0.000 2.305 374 G HA2 -0.242 3.718 3.960 0.001 0.000 0.287 374 G HA3 -0.242 3.718 3.960 0.001 0.000 0.287 374 G C -0.016 174.856 174.900 -0.047 0.000 1.036 374 G CA 0.149 45.225 45.100 -0.040 0.000 0.887 374 G HN 0.411 nan 8.290 nan 0.000 0.505 375 R N -0.641 119.828 120.500 -0.053 0.000 2.607 375 R HA 0.689 5.030 4.340 0.001 0.000 0.261 375 R C 1.156 177.411 176.300 -0.074 0.000 1.051 375 R CA -0.020 56.040 56.100 -0.066 0.000 1.110 375 R CB 1.295 31.554 30.300 -0.068 0.000 1.158 375 R HN 0.254 nan 8.270 nan 0.000 0.543 376 S N -0.203 115.434 115.700 -0.104 0.000 2.691 376 S HA 0.172 4.642 4.470 0.001 0.000 0.241 376 S C 0.188 174.711 174.600 -0.128 0.000 1.077 376 S CA 0.044 58.179 58.200 -0.109 0.000 0.900 376 S CB 0.492 63.614 63.200 -0.129 0.000 0.805 376 S HN 0.433 nan 8.310 nan 0.000 0.529 377 R N 0.620 120.988 120.500 -0.219 0.000 2.437 377 R HA 0.635 4.976 4.340 0.001 0.000 0.310 377 R C -0.423 175.759 176.300 -0.196 0.000 0.955 377 R CA -0.321 55.603 56.100 -0.293 0.000 0.851 377 R CB 1.813 31.600 30.300 -0.855 0.000 1.161 377 R HN 0.349 nan 8.270 nan 0.000 0.446 378 G N 0.973 109.763 108.800 -0.016 0.000 2.533 378 G HA2 0.591 4.552 3.960 0.001 0.000 0.304 378 G HA3 0.591 4.552 3.960 0.001 0.000 0.304 378 G C -1.393 173.513 174.900 0.010 0.000 1.263 378 G CA -0.435 44.629 45.100 -0.060 0.000 0.964 378 G HN 0.314 nan 8.290 nan 0.000 0.479 379 V N 0.435 120.280 119.914 -0.115 0.000 2.577 379 V HA 0.715 4.835 4.120 0.001 0.000 0.303 379 V C 0.134 176.266 176.094 0.064 0.000 1.042 379 V CA -0.731 61.562 62.300 -0.012 0.000 0.872 379 V CB 1.419 33.226 31.823 -0.027 0.000 0.998 379 V HN 1.178 nan 8.190 nan 0.000 0.423 380 A N 3.977 126.841 122.820 0.074 0.000 2.317 380 A HA 1.002 5.322 4.320 0.001 0.000 0.327 380 A C -0.091 177.547 177.584 0.091 0.000 1.178 380 A CA -0.031 52.052 52.037 0.077 0.000 0.817 380 A CB 1.357 20.379 19.000 0.037 0.000 1.189 380 A HN 1.570 nan 8.150 nan 0.000 0.489 381 A N 1.700 124.575 122.820 0.091 0.000 2.574 381 A HA 0.771 5.091 4.320 0.001 0.000 0.297 381 A C -1.551 176.057 177.584 0.039 0.000 1.062 381 A CA -0.422 51.660 52.037 0.076 0.000 0.686 381 A CB 1.019 20.080 19.000 0.102 0.000 1.285 381 A HN 0.989 nan 8.150 nan 0.000 0.403 382 L N 0.659 121.900 121.223 0.029 0.000 2.434 382 L HA 0.622 4.962 4.340 0.001 0.000 0.260 382 L C 0.171 177.049 176.870 0.014 0.000 0.983 382 L CA -0.547 54.297 54.840 0.007 0.000 0.820 382 L CB 1.664 43.728 42.059 0.008 0.000 1.361 382 L HN 0.975 nan 8.230 nan 0.000 0.410 383 C N 0.501 119.804 119.300 0.004 0.000 2.520 383 C HA 0.837 5.298 4.460 0.001 0.000 0.376 383 C C 0.094 175.108 174.990 0.040 0.000 1.268 383 C CA -0.877 58.150 59.018 0.015 0.000 2.414 383 C CB -0.063 27.681 27.740 0.007 0.000 2.521 383 C HN 0.662 nan 8.230 nan 0.000 0.618 384 I N 1.488 122.086 120.570 0.047 0.000 2.569 384 I HA 0.474 4.645 4.170 0.001 0.000 0.290 384 I C 0.949 177.106 176.117 0.066 0.000 1.088 384 I CA -0.279 61.057 61.300 0.060 0.000 1.047 384 I CB 1.611 39.644 38.000 0.055 0.000 1.237 384 I HN 1.067 nan 8.210 nan 0.000 0.421 385 G N 2.823 111.666 108.800 0.071 0.000 2.474 385 G HA2 0.334 4.295 3.960 0.001 0.000 0.233 385 G HA3 0.334 4.295 3.960 0.001 0.000 0.233 385 G C 1.009 175.970 174.900 0.102 0.000 1.278 385 G CA 0.690 45.834 45.100 0.074 0.000 0.861 385 G HN 1.257 nan 8.290 nan 0.000 0.567 386 G N -0.128 108.765 108.800 0.155 0.000 2.199 386 G HA2 0.239 4.199 3.960 0.001 0.000 0.254 386 G HA3 0.239 4.199 3.960 0.001 0.000 0.254 386 G C 1.250 176.233 174.900 0.137 0.000 0.982 386 G CA 0.915 46.173 45.100 0.264 0.000 0.632 386 G HN 2.801 nan 8.290 nan 0.000 0.529 387 G N -0.910 107.939 108.800 0.080 0.000 2.683 387 G HA2 0.121 4.081 3.960 0.001 0.000 0.234 387 G HA3 0.121 4.081 3.960 0.001 0.000 0.234 387 G C -0.135 174.780 174.900 0.024 0.000 1.135 387 G CA 0.716 45.833 45.100 0.029 0.000 0.975 387 G HN 1.125 nan 8.290 nan 0.000 0.511 388 M N -0.695 118.927 119.600 0.038 0.000 2.691 388 M HA 0.753 5.233 4.480 0.001 0.000 0.293 388 M C 0.391 176.712 176.300 0.035 0.000 1.259 388 M CA -0.436 54.887 55.300 0.037 0.000 0.827 388 M CB 2.554 35.184 32.600 0.051 0.000 1.753 388 M HN 0.597 nan 8.290 nan 0.000 0.465 389 G N 0.817 109.641 108.800 0.039 0.000 2.620 389 G HA2 0.822 4.782 3.960 0.001 0.000 0.301 389 G HA3 0.822 4.782 3.960 0.001 0.000 0.301 389 G C -2.254 172.686 174.900 0.067 0.000 1.347 389 G CA -0.497 44.627 45.100 0.041 0.000 0.971 389 G HN 0.747 nan 8.290 nan 0.000 0.488 390 I N 0.488 121.102 120.570 0.073 0.000 2.656 390 I HA 0.794 4.965 4.170 0.001 0.000 0.292 390 I C -0.639 175.541 176.117 0.104 0.000 1.144 390 I CA -0.839 60.527 61.300 0.111 0.000 1.038 390 I CB 2.096 40.157 38.000 0.102 0.000 1.244 390 I HN 0.839 nan 8.210 nan 0.000 0.420 391 A N 7.865 130.770 122.820 0.142 0.000 2.486 391 A HA 0.800 5.120 4.320 0.001 0.000 0.300 391 A C -1.446 176.231 177.584 0.155 0.000 1.048 391 A CA -0.616 51.496 52.037 0.124 0.000 0.696 391 A CB 1.894 20.958 19.000 0.106 0.000 1.278 391 A HN 0.797 nan 8.150 nan 0.000 0.405 392 M N 1.523 121.190 119.600 0.112 0.000 2.530 392 M HA 0.609 5.089 4.480 0.001 0.000 0.307 392 M C -1.730 174.596 176.300 0.044 0.000 1.161 392 M CA -0.340 55.023 55.300 0.106 0.000 0.903 392 M CB 1.751 34.392 32.600 0.068 0.000 1.711 392 M HN 0.685 nan 8.290 nan 0.000 0.451 393 C N 4.081 123.369 119.300 -0.019 0.000 2.329 393 C HA 0.822 5.282 4.460 0.001 0.000 0.329 393 C C -0.317 174.661 174.990 -0.019 0.000 1.275 393 C CA -0.711 58.248 59.018 -0.098 0.000 1.726 393 C CB 0.699 28.130 27.740 -0.514 0.000 2.291 393 C HN 0.674 nan 8.230 nan 0.000 0.514 394 V N 2.411 122.397 119.914 0.120 0.000 2.823 394 V HA 0.747 4.867 4.120 0.001 0.000 0.312 394 V C -1.040 175.201 176.094 0.244 0.000 1.072 394 V CA -0.555 61.821 62.300 0.125 0.000 0.937 394 V CB 1.793 33.648 31.823 0.053 0.000 1.013 394 V HN 0.895 nan 8.190 nan 0.000 0.430 395 Q N 2.089 121.996 119.800 0.180 0.000 2.304 395 Q HA 0.498 4.839 4.340 0.001 0.000 0.270 395 Q C -0.685 175.352 176.000 0.062 0.000 1.035 395 Q CA -0.691 55.207 55.803 0.158 0.000 0.781 395 Q CB 2.196 31.076 28.738 0.236 0.000 1.261 395 Q HN 0.887 nan 8.270 nan 0.000 0.444 396 R N 3.239 123.750 120.500 0.018 0.000 2.296 396 R HA 0.116 4.456 4.340 0.001 0.000 0.323 396 R C -0.339 175.960 176.300 -0.001 0.000 1.067 396 R CA 0.108 56.206 56.100 -0.004 0.000 0.946 396 R CB 0.607 30.892 30.300 -0.024 0.000 0.991 396 R HN 0.657 nan 8.270 nan 0.000 0.448 397 E N 0.000 120.201 120.200 0.002 0.000 2.725 397 E HA 0.000 4.350 4.350 0.001 0.000 0.291 397 E CA 0.000 56.401 56.400 0.001 0.000 0.976 397 E CB 0.000 29.702 29.700 0.004 0.000 0.812 397 E HN 0.000 nan 8.360 nan 0.000 0.440