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 1hpu_1_D DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQ 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.037 175.900 0.228 0.000 1.272 26 Y CA 0.000 58.204 58.100 0.173 0.000 1.940 26 Y CB 0.000 38.554 38.460 0.156 0.000 1.050 27 E N 2.642 123.174 120.200 0.554 0.000 2.324 27 E HA 0.131 4.482 4.350 0.001 0.000 0.271 27 E C -0.382 176.461 176.600 0.404 0.000 1.028 27 E CA -0.488 56.117 56.400 0.341 0.000 0.890 27 E CB 0.804 30.647 29.700 0.238 0.000 1.004 27 E HN 0.662 nan 8.360 nan 0.000 0.431 28 Q N 3.409 123.349 119.800 0.234 0.000 2.333 28 Q HA -0.112 4.229 4.340 0.001 0.000 0.299 28 Q C -0.353 175.748 176.000 0.170 0.000 1.067 28 Q CA 1.269 57.204 55.803 0.220 0.000 0.943 28 Q CB 0.373 29.173 28.738 0.104 0.000 1.233 28 Q HN 0.660 nan 8.270 nan 0.000 0.401 29 D N 0.466 120.952 120.400 0.143 0.000 3.068 29 D HA -0.240 4.400 4.640 0.001 0.000 0.219 29 D C -0.552 175.777 176.300 0.049 0.000 1.175 29 D CA 1.429 55.470 54.000 0.068 0.000 0.942 29 D CB -0.620 40.206 40.800 0.044 0.000 1.127 29 D HN 0.601 nan 8.370 nan 0.000 0.404 30 K N 0.513 120.965 120.400 0.087 0.000 2.174 30 K HA 0.314 4.635 4.320 0.001 0.000 0.275 30 K C -0.532 176.060 176.600 -0.013 0.000 1.015 30 K CA -0.075 56.203 56.287 -0.017 0.000 0.933 30 K CB 0.901 33.331 32.500 -0.116 0.000 1.025 30 K HN -0.220 nan 8.250 nan 0.000 0.463 31 T N 4.199 118.709 114.554 -0.073 0.000 2.743 31 T HA 0.249 4.600 4.350 0.001 0.000 0.292 31 T C -1.181 173.516 174.700 -0.005 0.000 0.972 31 T CA -0.266 61.840 62.100 0.011 0.000 0.967 31 T CB -0.042 68.829 68.868 0.005 0.000 0.926 31 T HN 0.320 nan 8.240 nan 0.000 0.459 32 Y N 2.314 122.676 120.300 0.103 0.000 2.320 32 Y HA 0.407 4.958 4.550 0.001 0.000 0.334 32 Y C 0.863 176.837 175.900 0.124 0.000 1.055 32 Y CA -0.922 57.257 58.100 0.133 0.000 1.143 32 Y CB 0.994 39.576 38.460 0.204 0.000 1.193 32 Y HN 0.345 nan 8.280 nan 0.000 0.477 33 K N 4.768 125.299 120.400 0.218 0.000 2.240 33 K HA 0.614 4.934 4.320 0.001 0.000 0.271 33 K C -1.129 175.565 176.600 0.156 0.000 1.018 33 K CA -0.268 56.116 56.287 0.161 0.000 0.874 33 K CB 1.108 33.661 32.500 0.089 0.000 1.098 33 K HN 0.569 nan 8.250 nan 0.000 0.458 34 I N 1.966 122.637 120.570 0.168 0.000 2.499 34 I HA 0.206 4.376 4.170 0.001 0.000 0.288 34 I C -0.476 175.735 176.117 0.157 0.000 1.048 34 I CA -0.706 60.672 61.300 0.131 0.000 1.062 34 I CB 2.366 40.422 38.000 0.092 0.000 1.238 34 I HN 0.436 nan 8.210 nan 0.000 0.426 35 T N 5.498 120.107 114.554 0.092 0.000 2.770 35 T HA 0.454 4.805 4.350 0.001 0.000 0.283 35 T C -0.292 174.449 174.700 0.069 0.000 0.988 35 T CA -0.413 61.736 62.100 0.080 0.000 0.957 35 T CB 1.598 70.477 68.868 0.018 0.000 0.930 35 T HN 0.176 nan 8.240 nan 0.000 0.443 36 V N 5.814 125.808 119.914 0.133 0.000 2.370 36 V HA 0.458 4.578 4.120 0.001 0.000 0.283 36 V C -0.086 176.080 176.094 0.120 0.000 1.023 36 V CA -0.762 61.601 62.300 0.106 0.000 0.857 36 V CB 1.061 32.980 31.823 0.159 0.000 0.985 36 V HN 0.720 nan 8.190 nan 0.000 0.443 37 L N 5.752 127.002 121.223 0.045 0.000 2.334 37 L HA 0.784 5.124 4.340 0.001 0.000 0.275 37 L C -0.316 176.617 176.870 0.104 0.000 1.036 37 L CA -0.570 54.282 54.840 0.020 0.000 0.807 37 L CB 1.646 43.643 42.059 -0.104 0.000 1.231 37 L HN 0.966 nan 8.230 nan 0.000 0.438 38 H N -0.702 118.363 119.070 -0.008 0.000 3.064 38 H HA 0.775 5.332 4.556 0.001 0.000 0.352 38 H C -1.121 174.266 175.328 0.098 0.000 1.260 38 H CA -0.779 55.300 56.048 0.051 0.000 1.160 38 H CB 1.816 31.628 29.762 0.083 0.000 1.879 38 H HN 0.565 nan 8.280 nan 0.000 0.544 39 T N 0.210 114.875 114.554 0.185 0.000 2.787 39 T HA 0.612 4.962 4.350 0.001 0.000 0.297 39 T C -1.200 173.629 174.700 0.215 0.000 1.221 39 T CA -0.852 61.339 62.100 0.152 0.000 1.006 39 T CB 2.094 71.079 68.868 0.195 0.000 1.328 39 T HN 1.201 nan 8.240 nan 0.000 0.509 40 N N -0.964 117.847 118.700 0.185 0.000 3.127 40 N HA 0.240 4.981 4.740 0.001 0.000 0.239 40 N C -1.835 173.786 175.510 0.184 0.000 1.407 40 N CA -0.684 52.481 53.050 0.192 0.000 0.891 40 N CB 0.766 39.388 38.487 0.226 0.000 1.447 40 N HN 0.837 nan 8.380 nan 0.000 0.507 41 D N -0.266 120.241 120.400 0.179 0.000 2.697 41 D HA -0.213 4.428 4.640 0.001 0.000 0.235 41 D C 0.729 177.130 176.300 0.170 0.000 1.167 41 D CA 1.203 55.274 54.000 0.119 0.000 0.656 41 D CB -1.287 39.721 40.800 0.346 0.000 1.025 41 D HN 0.699 nan 8.370 nan 0.000 0.419 42 H N 0.776 119.829 119.070 -0.029 0.000 2.387 42 H HA -0.120 4.437 4.556 0.001 0.000 0.299 42 H C 0.738 176.178 175.328 0.187 0.000 1.090 42 H CA 2.031 58.108 56.048 0.048 0.000 1.332 42 H CB 0.161 29.874 29.762 -0.081 0.000 1.386 42 H HN 0.454 nan 8.280 nan 0.000 0.516 43 H N -0.704 118.427 119.070 0.103 0.000 2.527 43 H HA -0.167 4.389 4.556 0.001 0.000 0.321 43 H C 1.510 176.679 175.328 -0.264 0.000 1.092 43 H CA 1.178 57.209 56.048 -0.028 0.000 1.118 43 H CB -1.713 28.071 29.762 0.036 0.000 1.536 43 H HN 0.825 nan 8.280 nan 0.000 0.407 44 G N 0.052 108.762 108.800 -0.149 0.000 2.168 44 G HA2 -0.353 3.607 3.960 0.001 0.000 0.263 44 G HA3 -0.353 3.607 3.960 0.001 0.000 0.263 44 G C 0.206 174.862 174.900 -0.407 0.000 0.977 44 G CA 0.668 45.661 45.100 -0.178 0.000 0.659 44 G HN 0.733 nan 8.290 nan 0.000 0.533 45 H N 0.309 118.946 119.070 -0.721 0.000 2.768 45 H HA 0.380 4.937 4.556 0.001 0.000 0.228 45 H C 1.649 176.890 175.328 -0.145 0.000 1.812 45 H CA 0.094 55.835 56.048 -0.512 0.000 1.273 45 H CB -0.844 28.599 29.762 -0.532 0.000 1.631 45 H HN 0.562 nan 8.280 nan 0.000 0.526 46 F N -2.150 117.899 119.950 0.166 0.000 2.234 46 F HA -0.017 4.511 4.527 0.001 0.000 0.299 46 F C 0.859 176.839 175.800 0.300 0.000 1.087 46 F CA -0.166 58.013 58.000 0.298 0.000 1.340 46 F CB 0.007 39.133 39.000 0.210 0.000 1.031 46 F HN 0.246 nan 8.300 nan 0.000 0.500 47 W N 4.779 125.734 121.300 -0.576 0.000 2.436 47 W HA 0.345 5.006 4.660 0.001 0.000 0.347 47 W C 0.271 176.717 176.519 -0.122 0.000 1.136 47 W CA -1.396 55.762 57.345 -0.312 0.000 1.286 47 W CB 1.180 30.309 29.460 -0.551 0.000 1.253 47 W HN -0.043 nan 8.180 nan 0.000 0.617 48 R N 2.610 122.887 120.500 -0.373 0.000 2.774 48 R HA 0.069 4.410 4.340 0.001 0.000 0.269 48 R C 0.309 176.527 176.300 -0.136 0.000 1.068 48 R CA -0.233 55.715 56.100 -0.254 0.000 1.180 48 R CB 0.117 30.209 30.300 -0.346 0.000 1.077 48 R HN 0.465 nan 8.270 nan 0.000 0.513 49 N N -0.218 118.271 118.700 -0.352 0.000 2.431 49 N HA -0.092 4.649 4.740 0.001 0.000 0.289 49 N C 0.511 175.890 175.510 -0.218 0.000 1.277 49 N CA -0.080 52.825 53.050 -0.242 0.000 0.972 49 N CB 0.115 38.415 38.487 -0.313 0.000 1.143 49 N HN 0.842 nan 8.380 nan 0.000 0.578 50 E N -1.593 118.417 120.200 -0.317 0.000 2.333 50 E HA -0.203 4.147 4.350 0.001 0.000 0.198 50 E C 0.079 176.435 176.600 -0.407 0.000 1.007 50 E CA 1.116 57.285 56.400 -0.384 0.000 0.845 50 E CB -0.494 28.896 29.700 -0.516 0.000 0.766 50 E HN 0.629 nan 8.360 nan 0.000 0.507 51 Y N 0.129 120.381 120.300 -0.080 0.000 2.485 51 Y HA 0.380 4.930 4.550 0.001 0.000 0.260 51 Y C 1.534 177.369 175.900 -0.109 0.000 1.173 51 Y CA -0.224 57.829 58.100 -0.078 0.000 1.252 51 Y CB 0.837 39.254 38.460 -0.071 0.000 1.123 51 Y HN 0.207 nan 8.280 nan 0.000 0.524 52 G N 0.322 109.087 108.800 -0.059 0.000 2.136 52 G HA2 -0.268 3.693 3.960 0.001 0.000 0.242 52 G HA3 -0.268 3.693 3.960 0.001 0.000 0.242 52 G C -0.009 174.793 174.900 -0.163 0.000 0.989 52 G CA -0.040 45.002 45.100 -0.096 0.000 0.682 52 G HN 0.411 nan 8.290 nan 0.000 0.522 53 E N -0.244 119.784 120.200 -0.286 0.000 2.283 53 E HA 0.535 4.886 4.350 0.001 0.000 0.271 53 E C 1.087 177.285 176.600 -0.671 0.000 1.031 53 E CA -0.509 55.651 56.400 -0.400 0.000 0.868 53 E CB 0.764 30.221 29.700 -0.405 0.000 1.094 53 E HN 0.955 nan 8.360 nan 0.000 0.401 54 Y N 0.427 120.710 120.300 -0.028 0.000 2.353 54 Y HA -0.348 4.203 4.550 0.001 0.000 0.357 54 Y C 0.501 176.372 175.900 -0.049 0.000 0.979 54 Y CA 0.461 58.541 58.100 -0.033 0.000 1.930 54 Y CB -1.923 36.526 38.460 -0.019 0.000 0.989 54 Y HN 1.029 nan 8.280 nan 0.000 0.724 55 G N -1.325 107.699 108.800 0.374 0.000 2.675 55 G HA2 0.018 3.979 3.960 0.001 0.000 0.686 55 G HA3 0.018 3.979 3.960 0.001 0.000 0.686 55 G C -0.203 174.779 174.900 0.135 0.000 1.215 55 G CA -0.381 44.821 45.100 0.170 0.000 0.777 55 G HN 1.270 nan 8.290 nan 0.000 0.638 56 L N 0.929 122.247 121.223 0.160 0.000 2.291 56 L HA 0.078 4.418 4.340 0.001 0.000 0.214 56 L C 3.172 180.074 176.870 0.055 0.000 1.120 56 L CA 1.724 56.645 54.840 0.135 0.000 0.799 56 L CB -0.610 41.553 42.059 0.172 0.000 0.925 56 L HN 0.888 nan 8.230 nan 0.000 0.446 57 A N 0.345 123.155 122.820 -0.016 0.000 1.898 57 A HA -0.120 4.200 4.320 0.001 0.000 0.216 57 A C 2.534 180.092 177.584 -0.043 0.000 1.181 57 A CA 1.647 53.653 52.037 -0.052 0.000 0.620 57 A CB -0.522 18.387 19.000 -0.151 0.000 0.819 57 A HN 0.367 nan 8.150 nan 0.000 0.442 58 A N -0.994 121.796 122.820 -0.050 0.000 1.929 58 A HA -0.142 4.178 4.320 0.001 0.000 0.216 58 A C 2.163 179.744 177.584 -0.004 0.000 1.176 58 A CA 1.597 53.615 52.037 -0.032 0.000 0.628 58 A CB -0.509 18.471 19.000 -0.033 0.000 0.816 58 A HN 0.644 nan 8.150 nan 0.000 0.444 59 Q N -0.205 119.607 119.800 0.020 0.000 2.084 59 Q HA -0.265 4.076 4.340 0.001 0.000 0.202 59 Q C 2.067 178.068 176.000 0.001 0.000 0.978 59 Q CA 2.070 57.889 55.803 0.026 0.000 0.844 59 Q CB -0.116 28.664 28.738 0.071 0.000 0.898 59 Q HN 0.510 nan 8.270 nan 0.000 0.426 60 K N -0.093 120.312 120.400 0.008 0.000 2.032 60 K HA -0.127 4.194 4.320 0.001 0.000 0.209 60 K C 1.875 178.466 176.600 -0.015 0.000 1.048 60 K CA 2.384 58.670 56.287 -0.001 0.000 0.927 60 K CB -0.764 31.744 32.500 0.014 0.000 0.712 60 K HN 0.170 nan 8.250 nan 0.000 0.441 61 T N 1.462 116.007 114.554 -0.014 0.000 2.684 61 T HA -0.144 4.206 4.350 0.001 0.000 0.267 61 T C 1.620 176.307 174.700 -0.023 0.000 1.036 61 T CA 1.440 63.529 62.100 -0.017 0.000 1.148 61 T CB -0.372 68.485 68.868 -0.019 0.000 0.863 61 T HN 0.231 nan 8.240 nan 0.000 0.436 62 L N 1.334 122.543 121.223 -0.024 0.000 1.994 62 L HA -0.041 4.300 4.340 0.001 0.000 0.208 62 L C 2.452 179.295 176.870 -0.045 0.000 1.071 62 L CA 1.624 56.446 54.840 -0.031 0.000 0.745 62 L CB -0.847 41.197 42.059 -0.026 0.000 0.892 62 L HN 0.082 nan 8.230 nan 0.000 0.431 63 V N -0.010 119.870 119.914 -0.058 0.000 2.343 63 V HA -0.280 3.840 4.120 0.001 0.000 0.247 63 V C 2.322 178.378 176.094 -0.064 0.000 1.051 63 V CA 1.872 64.123 62.300 -0.082 0.000 1.036 63 V CB -0.874 30.875 31.823 -0.125 0.000 0.654 63 V HN 0.454 nan 8.190 nan 0.000 0.451 64 D N 0.785 121.158 120.400 -0.045 0.000 2.104 64 D HA -0.137 4.503 4.640 0.001 0.000 0.194 64 D C 2.231 178.514 176.300 -0.029 0.000 0.994 64 D CA 1.762 55.743 54.000 -0.032 0.000 0.830 64 D CB -0.747 40.042 40.800 -0.019 0.000 0.959 64 D HN 0.444 nan 8.370 nan 0.000 0.452 65 G N 0.638 109.421 108.800 -0.028 0.000 2.440 65 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 65 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 65 G C 1.812 176.694 174.900 -0.030 0.000 1.154 65 G CA 0.501 45.586 45.100 -0.025 0.000 0.767 65 G HN 0.285 nan 8.290 nan 0.000 0.552 66 I N 0.099 120.645 120.570 -0.039 0.000 2.226 66 I HA -0.166 4.005 4.170 0.001 0.000 0.245 66 I C 3.060 179.154 176.117 -0.038 0.000 1.100 66 I CA 0.995 62.269 61.300 -0.043 0.000 1.374 66 I CB -0.208 37.757 38.000 -0.059 0.000 1.057 66 I HN 0.104 nan 8.210 nan 0.000 0.413 67 R N 0.651 121.128 120.500 -0.040 0.000 2.081 67 R HA -0.202 4.139 4.340 0.001 0.000 0.235 67 R C 2.345 178.634 176.300 -0.018 0.000 1.131 67 R CA 1.355 57.437 56.100 -0.031 0.000 0.960 67 R CB -0.299 29.981 30.300 -0.033 0.000 0.856 67 R HN 0.297 nan 8.270 nan 0.000 0.436 68 K N 1.066 121.456 120.400 -0.017 0.000 2.026 68 K HA -0.214 4.106 4.320 0.001 0.000 0.208 68 K C 2.143 178.737 176.600 -0.010 0.000 1.048 68 K CA 1.604 57.885 56.287 -0.011 0.000 0.929 68 K CB -0.002 32.492 32.500 -0.010 0.000 0.713 68 K HN 0.144 nan 8.250 nan 0.000 0.439 69 E N 0.352 120.543 120.200 -0.015 0.000 2.051 69 E HA -0.165 4.185 4.350 0.001 0.000 0.192 69 E C 1.892 178.486 176.600 -0.010 0.000 0.991 69 E CA 1.491 57.883 56.400 -0.014 0.000 0.799 69 E CB 0.038 29.726 29.700 -0.020 0.000 0.748 69 E HN 0.156 nan 8.360 nan 0.000 0.449 70 V N 1.549 121.456 119.914 -0.012 0.000 2.407 70 V HA -0.249 3.872 4.120 0.001 0.000 0.248 70 V C 2.591 178.687 176.094 0.003 0.000 1.055 70 V CA 1.749 64.046 62.300 -0.004 0.000 1.049 70 V CB -0.827 30.992 31.823 -0.006 0.000 0.662 70 V HN 0.426 nan 8.190 nan 0.000 0.455 71 A N 0.089 122.910 122.820 0.001 0.000 1.902 71 A HA -0.101 4.219 4.320 0.001 0.000 0.217 71 A C 2.422 180.009 177.584 0.006 0.000 1.181 71 A CA 1.971 54.011 52.037 0.007 0.000 0.623 71 A CB -0.756 18.247 19.000 0.005 0.000 0.818 71 A HN 0.570 nan 8.150 nan 0.000 0.443 72 A N -0.351 122.470 122.820 0.002 0.000 1.972 72 A HA -0.131 4.190 4.320 0.001 0.000 0.219 72 A C 1.745 179.330 177.584 0.001 0.000 1.169 72 A CA 1.475 53.513 52.037 0.001 0.000 0.635 72 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 72 A HN 0.629 nan 8.150 nan 0.000 0.446 73 E N -1.264 118.936 120.200 0.001 0.000 2.476 73 E HA 0.250 4.600 4.350 0.001 0.000 0.191 73 E C 0.996 177.600 176.600 0.006 0.000 1.064 73 E CA 0.194 56.595 56.400 0.002 0.000 0.866 73 E CB -0.186 29.515 29.700 0.001 0.000 0.952 73 E HN 0.716 nan 8.360 nan 0.000 0.492 74 G N 1.229 110.034 108.800 0.009 0.000 2.160 74 G HA2 -0.273 3.687 3.960 0.001 0.000 0.251 74 G HA3 -0.273 3.687 3.960 0.001 0.000 0.251 74 G C 0.453 175.370 174.900 0.028 0.000 1.008 74 G CA 0.065 45.173 45.100 0.013 0.000 0.724 74 G HN 0.476 nan 8.290 nan 0.000 0.514 75 G N -1.098 107.721 108.800 0.032 0.000 2.568 75 G HA2 0.709 4.670 3.960 0.001 0.000 0.293 75 G HA3 0.709 4.670 3.960 0.001 0.000 0.293 75 G C -0.107 174.823 174.900 0.050 0.000 1.347 75 G CA 0.397 45.528 45.100 0.052 0.000 1.039 75 G HN 0.813 nan 8.290 nan 0.000 0.523 76 S N -1.933 113.801 115.700 0.056 0.000 2.566 76 S HA 0.668 5.138 4.470 0.001 0.000 0.298 76 S C -0.763 173.843 174.600 0.011 0.000 1.083 76 S CA -0.446 57.776 58.200 0.036 0.000 0.978 76 S CB 2.036 65.263 63.200 0.045 0.000 1.073 76 S HN 0.460 nan 8.310 nan 0.000 0.491 77 V N 2.558 122.462 119.914 -0.018 0.000 2.604 77 V HA 0.634 4.754 4.120 0.001 0.000 0.305 77 V C -1.140 174.895 176.094 -0.098 0.000 1.043 77 V CA -0.670 61.602 62.300 -0.047 0.000 0.888 77 V CB 1.714 33.503 31.823 -0.057 0.000 0.995 77 V HN 0.693 nan 8.190 nan 0.000 0.429 78 L N 5.114 126.264 121.223 -0.122 0.000 2.409 78 L HA 0.732 5.073 4.340 0.001 0.000 0.272 78 L C -1.259 175.501 176.870 -0.183 0.000 0.980 78 L CA -0.390 54.322 54.840 -0.213 0.000 0.826 78 L CB 1.722 43.640 42.059 -0.234 0.000 1.268 78 L HN 0.639 nan 8.230 nan 0.000 0.407 79 L N 6.036 127.113 121.223 -0.242 0.000 2.325 79 L HA 0.718 5.059 4.340 0.001 0.000 0.281 79 L C -1.678 175.080 176.870 -0.186 0.000 1.004 79 L CA -0.090 54.592 54.840 -0.263 0.000 0.823 79 L CB 1.269 43.048 42.059 -0.466 0.000 1.236 79 L HN 0.572 nan 8.230 nan 0.000 0.415 80 L N 3.443 124.651 121.223 -0.024 0.000 2.341 80 L HA 0.702 5.042 4.340 0.001 0.000 0.267 80 L C -0.158 176.864 176.870 0.254 0.000 1.009 80 L CA -0.688 54.218 54.840 0.111 0.000 0.819 80 L CB 2.132 44.242 42.059 0.085 0.000 1.323 80 L HN 0.655 nan 8.230 nan 0.000 0.425 81 S N -0.193 115.649 115.700 0.237 0.000 2.503 81 S HA 0.558 5.028 4.470 0.001 0.000 0.301 81 S C 0.635 175.334 174.600 0.165 0.000 1.087 81 S CA -0.217 58.093 58.200 0.183 0.000 1.042 81 S CB 1.708 64.879 63.200 -0.048 0.000 1.043 81 S HN 0.792 nan 8.310 nan 0.000 0.489 82 G N 1.816 110.731 108.800 0.192 0.000 3.088 82 G HA2 0.496 4.457 3.960 0.001 0.000 0.212 82 G HA3 0.496 4.457 3.960 0.001 0.000 0.212 82 G C 0.896 175.977 174.900 0.303 0.000 1.173 82 G CA 0.183 45.424 45.100 0.235 0.000 0.779 82 G HN 1.571 nan 8.290 nan 0.000 0.540 83 G N -0.016 108.882 108.800 0.162 0.000 2.685 83 G HA2 0.104 4.064 3.960 0.001 0.000 0.387 83 G HA3 0.104 4.064 3.960 0.001 0.000 0.387 83 G C -0.284 174.595 174.900 -0.035 0.000 1.324 83 G CA -0.126 45.001 45.100 0.045 0.000 0.878 83 G HN 0.677 nan 8.290 nan 0.000 0.527 84 D N -1.179 119.100 120.400 -0.202 0.000 2.760 84 D HA -0.130 4.510 4.640 0.001 0.000 0.244 84 D C 1.500 177.612 176.300 -0.314 0.000 1.123 84 D CA 1.006 54.884 54.000 -0.203 0.000 0.719 84 D CB -0.748 39.991 40.800 -0.101 0.000 1.045 84 D HN 0.590 nan 8.370 nan 0.000 0.426 85 I N -0.689 119.795 120.570 -0.144 0.000 2.480 85 I HA -0.041 4.130 4.170 0.001 0.000 0.251 85 I C 1.395 177.492 176.117 -0.033 0.000 1.124 85 I CA 0.692 61.903 61.300 -0.148 0.000 1.444 85 I CB -0.446 37.290 38.000 -0.440 0.000 1.098 85 I HN 0.193 nan 8.210 nan 0.000 0.428 86 N N 1.982 120.725 118.700 0.072 0.000 2.525 86 N HA 0.090 4.830 4.740 0.001 0.000 0.271 86 N C -0.321 175.304 175.510 0.193 0.000 1.194 86 N CA 0.640 53.791 53.050 0.168 0.000 0.964 86 N CB 0.712 39.344 38.487 0.242 0.000 1.126 86 N HN 0.145 nan 8.380 nan 0.000 0.452 87 T N -0.073 114.552 114.554 0.119 0.000 0.561 87 T HA -0.013 4.338 4.350 0.001 0.000 0.771 87 T C 0.810 175.465 174.700 -0.076 0.000 0.992 87 T CA 0.756 62.864 62.100 0.013 0.000 4.065 87 T CB -1.089 67.806 68.868 0.044 0.000 2.296 87 T HN 0.979 nan 8.240 nan 0.000 0.396 88 G N 0.669 109.339 108.800 -0.217 0.000 2.935 88 G HA2 0.253 4.213 3.960 0.001 0.000 0.213 88 G HA3 0.253 4.213 3.960 0.001 0.000 0.213 88 G C -0.298 174.325 174.900 -0.461 0.000 0.984 88 G CA 0.047 44.953 45.100 -0.324 0.000 0.790 88 G HN 1.428 nan 8.290 nan 0.000 0.538 89 V N 1.539 121.202 119.914 -0.418 0.000 2.524 89 V HA 0.383 4.504 4.120 0.001 0.000 0.297 89 V C -1.413 174.531 176.094 -0.249 0.000 1.035 89 V CA -1.047 60.990 62.300 -0.437 0.000 0.867 89 V CB 2.372 33.838 31.823 -0.595 0.000 1.004 89 V HN 0.000 nan 8.190 nan 0.000 0.426 90 P HA -0.181 nan 4.420 nan 0.000 0.216 90 P C 1.289 178.523 177.300 -0.110 0.000 1.157 90 P CA 1.385 64.379 63.100 -0.176 0.000 0.880 90 P CB 0.463 32.040 31.700 -0.205 0.000 0.791 91 E N -0.907 119.245 120.200 -0.079 0.000 2.118 91 E HA -0.159 4.191 4.350 0.001 0.000 0.195 91 E C 2.193 178.886 176.600 0.155 0.000 0.992 91 E CA 1.566 57.990 56.400 0.039 0.000 0.804 91 E CB -0.851 28.891 29.700 0.071 0.000 0.741 91 E HN 0.173 nan 8.360 nan 0.000 0.458 92 S N 0.199 116.017 115.700 0.195 0.000 2.348 92 S HA -0.145 4.326 4.470 0.001 0.000 0.219 92 S C 1.375 176.004 174.600 0.048 0.000 1.033 92 S CA 1.189 59.504 58.200 0.191 0.000 0.974 92 S CB -0.265 63.063 63.200 0.214 0.000 0.868 92 S HN 0.131 nan 8.310 nan 0.000 0.459 93 D N 1.825 122.226 120.400 0.002 0.000 2.133 93 D HA -0.114 4.527 4.640 0.001 0.000 0.195 93 D C 1.962 178.272 176.300 0.016 0.000 0.997 93 D CA 0.800 54.799 54.000 -0.001 0.000 0.840 93 D CB -0.676 40.088 40.800 -0.060 0.000 0.947 93 D HN 0.330 nan 8.370 nan 0.000 0.452 94 L N 0.152 121.373 121.223 -0.004 0.000 2.127 94 L HA -0.195 4.146 4.340 0.001 0.000 0.211 94 L C 1.041 177.938 176.870 0.045 0.000 1.089 94 L CA 1.548 56.393 54.840 0.008 0.000 0.757 94 L CB -0.081 41.971 42.059 -0.011 0.000 0.899 94 L HN 0.096 nan 8.230 nan 0.000 0.434 95 Q N -0.863 118.962 119.800 0.042 0.000 2.175 95 Q HA 0.064 4.404 4.340 0.001 0.000 0.225 95 Q C -0.625 175.418 176.000 0.071 0.000 0.837 95 Q CA -0.266 55.565 55.803 0.048 0.000 1.032 95 Q CB 0.622 29.368 28.738 0.013 0.000 1.137 95 Q HN 0.249 nan 8.270 nan 0.000 0.483 96 D N 0.728 121.197 120.400 0.116 0.000 2.751 96 D HA -0.255 4.386 4.640 0.001 0.000 0.233 96 D C 0.380 176.841 176.300 0.268 0.000 1.149 96 D CA 1.146 55.264 54.000 0.196 0.000 0.682 96 D CB -1.189 39.763 40.800 0.253 0.000 1.068 96 D HN 0.582 nan 8.370 nan 0.000 0.429 97 A N -0.788 122.112 122.820 0.132 0.000 2.816 97 A HA -0.395 3.926 4.320 0.001 0.000 0.270 97 A C 1.580 179.180 177.584 0.026 0.000 1.413 97 A CA 2.369 54.474 52.037 0.113 0.000 0.866 97 A CB -1.966 17.198 19.000 0.274 0.000 1.032 97 A HN 0.603 nan 8.150 nan 0.000 0.642 98 E N 0.166 120.190 120.200 -0.293 0.000 2.070 98 E HA -0.196 4.154 4.350 0.001 0.000 0.197 98 E C -0.276 175.743 176.600 -0.968 0.000 1.004 98 E CA 1.468 57.297 56.400 -0.952 0.000 0.805 98 E CB -0.446 28.478 29.700 -1.292 0.000 0.744 98 E HN 0.635 nan 8.360 nan 0.000 0.451 99 P HA -0.157 nan 4.420 nan 0.000 0.216 99 P C 0.310 177.263 177.300 -0.578 0.000 1.150 99 P CA 1.801 64.111 63.100 -1.317 0.000 0.837 99 P CB -0.100 30.481 31.700 -1.866 0.000 0.786 100 D N -0.631 119.548 120.400 -0.367 0.000 2.097 100 D HA -0.124 4.517 4.640 0.001 0.000 0.197 100 D C 1.809 177.959 176.300 -0.250 0.000 0.984 100 D CA 1.058 54.951 54.000 -0.178 0.000 0.826 100 D CB -0.888 39.860 40.800 -0.086 0.000 0.973 100 D HN 0.101 nan 8.370 nan 0.000 0.460 101 F N 0.937 120.831 119.950 -0.093 0.000 2.146 101 F HA 0.018 4.545 4.527 0.001 0.000 0.298 101 F C 2.379 178.192 175.800 0.021 0.000 1.096 101 F CA 0.957 58.973 58.000 0.025 0.000 1.275 101 F CB -0.140 38.935 39.000 0.125 0.000 1.008 101 F HN -0.188 nan 8.300 nan 0.000 0.480 102 R N -0.256 120.265 120.500 0.034 0.000 2.092 102 R HA -0.083 4.258 4.340 0.001 0.000 0.231 102 R C 2.550 178.882 176.300 0.054 0.000 1.119 102 R CA 1.131 57.235 56.100 0.006 0.000 0.970 102 R CB -1.136 29.079 30.300 -0.140 0.000 0.864 102 R HN 0.389 nan 8.270 nan 0.000 0.440 103 G N 0.862 109.661 108.800 -0.000 0.000 2.422 103 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 103 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 103 G C 1.437 176.392 174.900 0.091 0.000 1.146 103 G CA 0.466 45.595 45.100 0.048 0.000 0.769 103 G HN 0.157 nan 8.290 nan 0.000 0.547 104 M N 0.622 120.262 119.600 0.067 0.000 2.159 104 M HA -0.066 4.414 4.480 0.001 0.000 0.263 104 M C 2.366 178.866 176.300 0.333 0.000 1.063 104 M CA 0.923 56.300 55.300 0.127 0.000 1.110 104 M CB -0.292 32.221 32.600 -0.146 0.000 1.374 104 M HN 0.127 nan 8.290 nan 0.000 0.411 105 N N 0.670 119.602 118.700 0.387 0.000 2.069 105 N HA -0.149 4.592 4.740 0.001 0.000 0.191 105 N C 1.584 177.227 175.510 0.221 0.000 1.031 105 N CA 1.214 54.486 53.050 0.369 0.000 0.852 105 N CB -0.487 38.166 38.487 0.278 0.000 1.018 105 N HN 0.205 nan 8.380 nan 0.000 0.423 106 L N 0.984 122.305 121.223 0.163 0.000 2.083 106 L HA -0.041 4.300 4.340 0.001 0.000 0.209 106 L C 2.018 178.939 176.870 0.085 0.000 1.083 106 L CA 1.112 56.018 54.840 0.110 0.000 0.752 106 L CB -0.564 41.551 42.059 0.092 0.000 0.899 106 L HN -0.082 nan 8.230 nan 0.000 0.433 107 V N 0.062 120.036 119.914 0.099 0.000 2.490 107 V HA 0.028 4.149 4.120 0.001 0.000 0.250 107 V C 1.639 177.703 176.094 -0.050 0.000 1.061 107 V CA 1.242 63.559 62.300 0.028 0.000 1.064 107 V CB -1.165 30.699 31.823 0.069 0.000 0.670 107 V HN 0.729 nan 8.190 nan 0.000 0.461 108 G N -1.523 107.287 108.800 0.016 0.000 2.215 108 G HA2 -0.231 3.729 3.960 0.001 0.000 0.198 108 G HA3 -0.231 3.729 3.960 0.001 0.000 0.198 108 G C -0.250 174.573 174.900 -0.129 0.000 1.047 108 G CA -0.445 44.645 45.100 -0.018 0.000 0.747 108 G HN 0.369 nan 8.290 nan 0.000 0.495 109 Y N 0.793 120.946 120.300 -0.245 0.000 2.702 109 Y HA 0.179 4.730 4.550 0.001 0.000 0.336 109 Y C 1.631 177.366 175.900 -0.275 0.000 1.235 109 Y CA 0.814 58.649 58.100 -0.441 0.000 1.492 109 Y CB 0.599 38.450 38.460 -1.016 0.000 1.308 109 Y HN 0.211 nan 8.280 nan 0.000 0.589 110 D N 1.232 121.577 120.400 -0.092 0.000 2.327 110 D HA 0.295 4.935 4.640 0.001 0.000 0.205 110 D C 0.161 176.625 176.300 0.275 0.000 0.989 110 D CA 0.810 54.825 54.000 0.025 0.000 0.873 110 D CB 0.511 41.074 40.800 -0.396 0.000 0.955 110 D HN 0.512 nan 8.370 nan 0.000 0.515 111 A N 0.211 123.148 122.820 0.196 0.000 2.567 111 A HA 0.587 4.908 4.320 0.001 0.000 0.291 111 A C -1.717 176.023 177.584 0.259 0.000 1.048 111 A CA -0.653 51.603 52.037 0.364 0.000 0.661 111 A CB 1.571 20.816 19.000 0.408 0.000 1.288 111 A HN 0.028 nan 8.150 nan 0.000 0.424 112 M N 1.250 121.045 119.600 0.325 0.000 2.433 112 M HA 0.701 5.182 4.480 0.001 0.000 0.290 112 M C -0.735 175.677 176.300 0.188 0.000 1.173 112 M CA -0.544 54.897 55.300 0.236 0.000 0.905 112 M CB 1.917 34.702 32.600 0.308 0.000 1.692 112 M HN 1.646 nan 8.290 nan 0.000 0.462 113 A N 4.863 127.775 122.820 0.154 0.000 2.363 113 A HA 0.587 4.908 4.320 0.001 0.000 0.270 113 A C -0.383 177.246 177.584 0.075 0.000 1.121 113 A CA -0.564 51.550 52.037 0.128 0.000 0.800 113 A CB 0.134 19.232 19.000 0.164 0.000 1.052 113 A HN 0.888 nan 8.150 nan 0.000 0.493 114 I N 2.431 123.000 120.570 -0.002 0.000 2.556 114 I HA 0.243 4.414 4.170 0.001 0.000 0.284 114 I C 1.243 177.343 176.117 -0.029 0.000 1.114 114 I CA 0.374 61.623 61.300 -0.085 0.000 1.418 114 I CB 0.826 38.664 38.000 -0.271 0.000 1.394 114 I HN 0.726 nan 8.210 nan 0.000 0.552 115 G N 4.141 112.842 108.800 -0.165 0.000 2.488 115 G HA2 0.112 4.072 3.960 0.001 0.000 0.318 115 G HA3 0.112 4.072 3.960 0.001 0.000 0.318 115 G C 0.872 175.720 174.900 -0.086 0.000 1.188 115 G CA -0.633 44.161 45.100 -0.509 0.000 0.944 115 G HN 0.740 nan 8.290 nan 0.000 0.495 116 N N -0.482 118.207 118.700 -0.018 0.000 2.223 116 N HA -0.175 4.566 4.740 0.001 0.000 0.185 116 N C 1.148 176.772 175.510 0.190 0.000 1.016 116 N CA 1.177 54.326 53.050 0.164 0.000 0.863 116 N CB -0.387 38.123 38.487 0.038 0.000 0.983 116 N HN 0.608 nan 8.380 nan 0.000 0.429 117 H N 0.170 119.387 119.070 0.244 0.000 2.559 117 H HA 0.080 4.637 4.556 0.001 0.000 0.273 117 H C 0.747 176.190 175.328 0.190 0.000 1.000 117 H CA 0.582 56.806 56.048 0.294 0.000 1.195 117 H CB 0.357 30.332 29.762 0.354 0.000 1.368 117 H HN 0.298 nan 8.280 nan 0.000 0.592 118 E N -0.061 120.210 120.200 0.118 0.000 2.478 118 E HA -0.044 4.306 4.350 0.001 0.000 0.198 118 E C 0.391 176.809 176.600 -0.303 0.000 1.046 118 E CA 0.301 56.635 56.400 -0.110 0.000 0.870 118 E CB -0.154 29.364 29.700 -0.303 0.000 0.818 118 E HN 0.331 nan 8.360 nan 0.000 0.527 119 F N -0.286 119.794 119.950 0.217 0.000 2.684 119 F HA 0.184 4.711 4.527 0.001 0.000 0.298 119 F C 0.974 176.949 175.800 0.293 0.000 1.120 119 F CA -0.241 57.909 58.000 0.250 0.000 1.332 119 F CB 0.539 39.832 39.000 0.488 0.000 0.986 119 F HN -0.124 nan 8.300 nan 0.000 0.524 120 D N -0.042 120.588 120.400 0.384 0.000 2.277 120 D HA -0.018 4.622 4.640 0.001 0.000 0.208 120 D C 0.214 176.765 176.300 0.419 0.000 0.962 120 D CA 0.821 55.097 54.000 0.459 0.000 0.865 120 D CB -0.002 41.108 40.800 0.517 0.000 0.939 120 D HN 0.289 nan 8.370 nan 0.000 0.510 121 N N -0.180 118.636 118.700 0.194 0.000 2.471 121 N HA 0.402 5.143 4.740 0.001 0.000 0.288 121 N C -2.647 172.641 175.510 -0.371 0.000 1.220 121 N CA -1.495 51.581 53.050 0.044 0.000 0.893 121 N CB 1.300 39.802 38.487 0.026 0.000 1.256 121 N HN -0.246 nan 8.380 nan 0.000 0.534 122 P HA -0.028 nan 4.420 nan 0.000 0.269 122 P C 0.635 177.698 177.300 -0.396 0.000 1.217 122 P CA -0.326 62.394 63.100 -0.632 0.000 0.783 122 P CB 0.537 32.096 31.700 -0.235 0.000 0.898 123 L N 2.703 123.734 121.223 -0.319 0.000 2.187 123 L HA -0.172 4.169 4.340 0.001 0.000 0.213 123 L C 2.024 178.799 176.870 -0.158 0.000 1.100 123 L CA 2.537 57.284 54.840 -0.154 0.000 0.765 123 L CB -1.632 40.393 42.059 -0.055 0.000 0.904 123 L HN 0.488 nan 8.230 nan 0.000 0.437 124 T N -4.843 109.615 114.554 -0.161 0.000 2.833 124 T HA -0.151 4.200 4.350 0.001 0.000 0.269 124 T C 1.832 176.407 174.700 -0.208 0.000 1.054 124 T CA 1.417 63.421 62.100 -0.161 0.000 1.135 124 T CB -0.988 67.803 68.868 -0.127 0.000 0.869 124 T HN 0.162 nan 8.240 nan 0.000 0.466 125 V N 1.169 120.961 119.914 -0.204 0.000 2.453 125 V HA 0.006 4.127 4.120 0.001 0.000 0.247 125 V C 2.499 178.407 176.094 -0.311 0.000 1.048 125 V CA 1.251 63.410 62.300 -0.233 0.000 1.049 125 V CB -0.690 31.049 31.823 -0.140 0.000 0.672 125 V HN 0.386 nan 8.190 nan 0.000 0.457 126 L N 0.141 121.204 121.223 -0.267 0.000 2.093 126 L HA -0.047 4.294 4.340 0.001 0.000 0.208 126 L C 2.552 179.240 176.870 -0.304 0.000 1.085 126 L CA 1.806 56.469 54.840 -0.294 0.000 0.755 126 L CB -0.750 41.147 42.059 -0.269 0.000 0.904 126 L HN 0.123 nan 8.230 nan 0.000 0.435 127 R N -0.401 119.950 120.500 -0.247 0.000 2.096 127 R HA -0.160 4.180 4.340 0.001 0.000 0.235 127 R C 2.207 178.275 176.300 -0.386 0.000 1.127 127 R CA 1.384 57.336 56.100 -0.247 0.000 0.968 127 R CB -0.882 29.298 30.300 -0.200 0.000 0.861 127 R HN 0.487 nan 8.270 nan 0.000 0.440 128 Q N 1.250 120.748 119.800 -0.504 0.000 2.119 128 Q HA -0.119 4.221 4.340 0.001 0.000 0.201 128 Q C 1.867 177.180 176.000 -1.144 0.000 0.972 128 Q CA 1.638 56.965 55.803 -0.794 0.000 0.847 128 Q CB -0.046 28.177 28.738 -0.858 0.000 0.903 128 Q HN 0.412 nan 8.270 nan 0.000 0.433 129 Q N -0.228 118.994 119.800 -0.963 0.000 2.170 129 Q HA -0.155 4.185 4.340 0.001 0.000 0.203 129 Q C 1.918 177.456 176.000 -0.770 0.000 0.976 129 Q CA 1.380 56.591 55.803 -0.986 0.000 0.858 129 Q CB -0.024 28.031 28.738 -1.138 0.000 0.907 129 Q HN 0.534 nan 8.270 nan 0.000 0.433 130 E N 0.724 120.590 120.200 -0.556 0.000 2.150 130 E HA -0.163 4.188 4.350 0.001 0.000 0.193 130 E C 1.840 178.253 176.600 -0.312 0.000 0.985 130 E CA 0.631 56.806 56.400 -0.374 0.000 0.814 130 E CB 0.078 29.644 29.700 -0.224 0.000 0.752 130 E HN 0.189 nan 8.360 nan 0.000 0.466 131 K N 0.168 120.353 120.400 -0.358 0.000 2.062 131 K HA -0.136 4.185 4.320 0.001 0.000 0.205 131 K C 1.825 178.354 176.600 -0.119 0.000 1.051 131 K CA 1.025 57.160 56.287 -0.255 0.000 0.941 131 K CB 0.049 32.353 32.500 -0.326 0.000 0.719 131 K HN 0.119 nan 8.250 nan 0.000 0.440 132 W N 1.033 122.210 121.300 -0.205 0.000 2.355 132 W HA 0.056 4.717 4.660 0.001 0.000 0.309 132 W C 0.948 177.366 176.519 -0.167 0.000 1.206 132 W CA 0.370 57.623 57.345 -0.153 0.000 1.284 132 W CB -1.079 28.293 29.460 -0.147 0.000 1.145 132 W HN 0.035 nan 8.180 nan 0.000 0.502 133 A N 2.073 124.838 122.820 -0.092 0.000 2.491 133 A HA 0.111 4.432 4.320 0.001 0.000 0.261 133 A C 1.074 178.453 177.584 -0.342 0.000 1.101 133 A CA 0.078 51.862 52.037 -0.423 0.000 0.772 133 A CB 0.202 18.653 19.000 -0.915 0.000 1.043 133 A HN 0.034 nan 8.150 nan 0.000 0.501 134 K N 2.245 122.555 120.400 -0.150 0.000 2.437 134 K HA 0.163 4.484 4.320 0.001 0.000 0.198 134 K C -0.579 176.107 176.600 0.143 0.000 1.024 134 K CA 0.290 56.597 56.287 0.034 0.000 1.148 134 K CB -0.625 31.960 32.500 0.141 0.000 0.860 134 K HN 0.691 nan 8.250 nan 0.000 0.515 135 F N 0.303 120.345 119.950 0.153 0.000 2.563 135 F HA 0.609 5.136 4.527 0.001 0.000 0.316 135 F C -2.714 173.178 175.800 0.153 0.000 1.076 135 F CA -3.456 54.653 58.000 0.181 0.000 0.921 135 F CB 0.736 39.869 39.000 0.223 0.000 1.209 135 F HN -0.244 nan 8.300 nan 0.000 0.462 136 P HA 0.169 nan 4.420 nan 0.000 0.271 136 P C -1.036 176.400 177.300 0.227 0.000 1.216 136 P CA -0.173 63.034 63.100 0.179 0.000 0.776 136 P CB 1.571 33.374 31.700 0.171 0.000 0.881 137 L N 3.855 125.134 121.223 0.093 0.000 2.264 137 L HA 0.318 4.658 4.340 0.001 0.000 0.287 137 L C 0.322 177.208 176.870 0.026 0.000 1.039 137 L CA 0.092 54.968 54.840 0.061 0.000 0.829 137 L CB 0.189 42.209 42.059 -0.066 0.000 1.211 137 L HN 0.253 nan 8.230 nan 0.000 0.427 138 L N 2.180 123.443 121.223 0.066 0.000 2.334 138 L HA 0.759 5.100 4.340 0.001 0.000 0.275 138 L C 0.300 177.186 176.870 0.027 0.000 1.036 138 L CA -0.391 54.492 54.840 0.071 0.000 0.807 138 L CB 1.729 43.873 42.059 0.141 0.000 1.231 138 L HN 0.558 nan 8.230 nan 0.000 0.438 139 S N 0.347 116.084 115.700 0.062 0.000 2.584 139 S HA 0.472 4.942 4.470 0.001 0.000 0.282 139 S C 0.151 174.802 174.600 0.084 0.000 1.138 139 S CA -0.030 58.218 58.200 0.080 0.000 0.987 139 S CB 1.452 64.682 63.200 0.050 0.000 1.137 139 S HN 0.715 nan 8.310 nan 0.000 0.457 140 A N 3.506 126.375 122.820 0.083 0.000 2.123 140 A HA 0.108 4.429 4.320 0.001 0.000 0.214 140 A C 1.501 179.108 177.584 0.039 0.000 1.152 140 A CA 0.912 52.974 52.037 0.042 0.000 0.728 140 A CB -0.265 18.806 19.000 0.119 0.000 0.814 140 A HN 0.867 nan 8.150 nan 0.000 0.464 141 N N -0.027 118.737 118.700 0.106 0.000 2.235 141 N HA 0.143 4.883 4.740 0.001 0.000 0.209 141 N C -0.252 175.347 175.510 0.147 0.000 1.122 141 N CA -0.078 53.092 53.050 0.200 0.000 0.845 141 N CB 0.122 38.730 38.487 0.201 0.000 1.004 141 N HN 0.400 nan 8.380 nan 0.000 0.499 142 I N 1.494 122.037 120.570 -0.045 0.000 2.312 142 I HA 0.282 4.453 4.170 0.001 0.000 0.290 142 I C -0.849 175.119 176.117 -0.249 0.000 1.008 142 I CA -0.724 60.442 61.300 -0.223 0.000 1.226 142 I CB 0.446 38.359 38.000 -0.146 0.000 1.371 142 I HN -0.127 nan 8.210 nan 0.000 0.468 143 Y N 3.672 123.842 120.300 -0.217 0.000 2.524 143 Y HA 0.349 4.900 4.550 0.001 0.000 0.344 143 Y C 0.151 175.965 175.900 -0.143 0.000 1.012 143 Y CA -0.780 57.234 58.100 -0.144 0.000 1.068 143 Y CB 1.664 40.063 38.460 -0.101 0.000 1.249 143 Y HN 0.451 nan 8.280 nan 0.000 0.468 144 Q N 2.790 122.616 119.800 0.043 0.000 2.294 144 Q HA 0.197 4.537 4.340 0.001 0.000 0.257 144 Q C 0.461 176.483 176.000 0.036 0.000 0.955 144 Q CA -0.271 55.533 55.803 0.002 0.000 0.936 144 Q CB 0.886 29.601 28.738 -0.039 0.000 1.188 144 Q HN 0.739 nan 8.270 nan 0.000 0.420 145 K N 1.152 121.565 120.400 0.023 0.000 2.020 145 K HA -0.186 4.135 4.320 0.001 0.000 0.212 145 K C 1.862 178.465 176.600 0.004 0.000 1.050 145 K CA 1.964 58.259 56.287 0.013 0.000 0.929 145 K CB -0.070 32.439 32.500 0.014 0.000 0.714 145 K HN 0.747 nan 8.250 nan 0.000 0.443 146 S N 0.004 115.705 115.700 0.002 0.000 2.500 146 S HA -0.111 4.360 4.470 0.001 0.000 0.239 146 S C 1.749 176.345 174.600 -0.006 0.000 0.989 146 S CA 1.584 59.781 58.200 -0.004 0.000 0.951 146 S CB -0.365 62.831 63.200 -0.006 0.000 0.759 146 S HN 0.472 nan 8.310 nan 0.000 0.523 147 T N -4.682 109.872 114.554 -0.001 0.000 2.969 147 T HA 0.525 4.875 4.350 0.001 0.000 0.258 147 T C 1.537 176.248 174.700 0.019 0.000 0.962 147 T CA 0.649 62.749 62.100 0.000 0.000 0.903 147 T CB -0.083 68.778 68.868 -0.012 0.000 1.177 147 T HN 1.177 nan 8.240 nan 0.000 0.511 148 G N 1.598 110.424 108.800 0.043 0.000 2.153 148 G HA2 -0.222 3.738 3.960 0.001 0.000 0.252 148 G HA3 -0.222 3.738 3.960 0.001 0.000 0.252 148 G C -0.308 174.720 174.900 0.213 0.000 0.994 148 G CA 0.318 45.462 45.100 0.074 0.000 0.698 148 G HN 0.700 nan 8.290 nan 0.000 0.521 149 E N -0.050 120.239 120.200 0.150 0.000 2.214 149 E HA 0.493 4.844 4.350 0.001 0.000 0.274 149 E C 0.583 177.131 176.600 -0.087 0.000 0.977 149 E CA -0.994 55.445 56.400 0.065 0.000 0.827 149 E CB 1.241 30.922 29.700 -0.031 0.000 1.130 149 E HN 0.288 nan 8.360 nan 0.000 0.394 150 R N 1.713 122.007 120.500 -0.343 0.000 2.590 150 R HA 0.076 4.417 4.340 0.001 0.000 0.274 150 R C 1.012 177.068 176.300 -0.406 0.000 1.061 150 R CA 0.058 55.792 56.100 -0.611 0.000 1.081 150 R CB 0.521 30.477 30.300 -0.575 0.000 0.984 150 R HN 0.512 nan 8.270 nan 0.000 0.448 151 L N 1.963 122.917 121.223 -0.449 0.000 2.375 151 L HA 0.142 4.482 4.340 0.001 0.000 0.215 151 L C -0.067 176.178 176.870 -1.042 0.000 1.108 151 L CA 0.750 55.172 54.840 -0.696 0.000 0.830 151 L CB 0.156 41.731 42.059 -0.806 0.000 0.959 151 L HN 0.442 nan 8.230 nan 0.000 0.457 152 F N -1.317 118.534 119.950 -0.166 0.000 2.650 152 F HA 0.384 4.911 4.527 0.001 0.000 0.320 152 F C 0.220 175.910 175.800 -0.184 0.000 1.091 152 F CA -1.247 56.670 58.000 -0.138 0.000 0.962 152 F CB 0.925 39.879 39.000 -0.077 0.000 1.363 152 F HN -0.365 nan 8.300 nan 0.000 0.482 153 K N 2.761 123.180 120.400 0.031 0.000 2.350 153 K HA 0.145 4.466 4.320 0.001 0.000 0.279 153 K C -1.797 174.732 176.600 -0.118 0.000 1.027 153 K CA -1.259 54.949 56.287 -0.132 0.000 0.969 153 K CB 0.844 33.261 32.500 -0.139 0.000 0.954 153 K HN 0.259 nan 8.250 nan 0.000 0.474 154 P HA -0.073 nan 4.420 nan 0.000 0.224 154 P C -0.626 176.718 177.300 0.073 0.000 1.157 154 P CA 1.070 64.084 63.100 -0.142 0.000 0.799 154 P CB 0.148 31.692 31.700 -0.261 0.000 0.809 155 W N -1.174 120.152 121.300 0.043 0.000 2.959 155 W HA 0.723 5.384 4.660 0.001 0.000 0.358 155 W C -2.281 174.249 176.519 0.018 0.000 1.228 155 W CA -1.674 55.700 57.345 0.048 0.000 1.183 155 W CB 0.321 29.802 29.460 0.035 0.000 1.467 155 W HN -0.037 nan 8.180 nan 0.000 0.578 156 A N 1.593 124.681 122.820 0.447 0.000 2.475 156 A HA 0.863 5.184 4.320 0.001 0.000 0.301 156 A C -1.865 175.697 177.584 -0.036 0.000 1.059 156 A CA -1.031 51.096 52.037 0.150 0.000 0.710 156 A CB 1.322 20.335 19.000 0.022 0.000 1.288 156 A HN 0.794 nan 8.150 nan 0.000 0.408 157 L N 1.079 122.128 121.223 -0.290 0.000 2.334 157 L HA 0.720 5.061 4.340 0.001 0.000 0.276 157 L C -1.304 175.159 176.870 -0.678 0.000 1.014 157 L CA -0.376 54.283 54.840 -0.303 0.000 0.815 157 L CB 1.539 43.531 42.059 -0.111 0.000 1.268 157 L HN 0.682 nan 8.230 nan 0.000 0.428 158 F N 1.303 121.266 119.950 0.023 0.000 2.565 158 F HA 0.504 5.032 4.527 0.001 0.000 0.313 158 F C 0.016 175.811 175.800 -0.009 0.000 1.091 158 F CA -0.957 57.054 58.000 0.017 0.000 0.915 158 F CB 1.819 40.827 39.000 0.014 0.000 1.208 158 F HN 0.174 nan 8.300 nan 0.000 0.453 159 K N 2.983 123.483 120.400 0.167 0.000 2.265 159 K HA 0.507 4.828 4.320 0.001 0.000 0.267 159 K C -0.684 175.978 176.600 0.104 0.000 0.994 159 K CA -0.642 55.701 56.287 0.093 0.000 0.860 159 K CB 1.554 34.093 32.500 0.066 0.000 1.099 159 K HN 0.514 nan 8.250 nan 0.000 0.448 160 R N 3.384 123.924 120.500 0.066 0.000 2.507 160 R HA 0.210 4.551 4.340 0.001 0.000 0.298 160 R C 0.237 176.585 176.300 0.081 0.000 1.087 160 R CA -0.388 55.751 56.100 0.064 0.000 0.917 160 R CB 1.179 31.498 30.300 0.032 0.000 1.173 160 R HN 0.799 nan 8.270 nan 0.000 0.472 161 Q N 0.480 120.348 119.800 0.113 0.000 1.659 161 Q HA -0.261 4.079 4.340 0.001 0.000 0.347 161 Q C -0.235 175.858 176.000 0.155 0.000 0.831 161 Q CA 2.026 57.931 55.803 0.170 0.000 0.873 161 Q CB -0.720 28.201 28.738 0.304 0.000 3.305 161 Q HN 0.595 nan 8.270 nan 0.000 0.659 162 D N 0.664 121.198 120.400 0.224 0.000 2.363 162 D HA 0.236 4.877 4.640 0.001 0.000 0.214 162 D C -0.034 176.282 176.300 0.028 0.000 1.093 162 D CA 0.321 54.411 54.000 0.151 0.000 0.837 162 D CB 0.195 41.148 40.800 0.256 0.000 0.948 162 D HN 0.127 nan 8.370 nan 0.000 0.507 163 L N 0.701 121.877 121.223 -0.079 0.000 2.343 163 L HA 0.360 4.700 4.340 0.001 0.000 0.275 163 L C 0.428 177.223 176.870 -0.126 0.000 1.056 163 L CA -0.717 53.996 54.840 -0.212 0.000 0.804 163 L CB 1.628 43.414 42.059 -0.454 0.000 1.203 163 L HN -0.316 nan 8.230 nan 0.000 0.440 164 K N 3.556 123.874 120.400 -0.137 0.000 2.293 164 K HA 0.566 4.887 4.320 0.001 0.000 0.267 164 K C -1.217 175.311 176.600 -0.121 0.000 1.010 164 K CA -0.413 55.822 56.287 -0.088 0.000 0.875 164 K CB 0.934 33.390 32.500 -0.073 0.000 1.106 164 K HN 0.527 nan 8.250 nan 0.000 0.450 165 I N 3.634 124.173 120.570 -0.051 0.000 2.378 165 I HA 0.351 4.521 4.170 0.001 0.000 0.291 165 I C -0.272 175.878 176.117 0.054 0.000 0.992 165 I CA -0.786 60.492 61.300 -0.037 0.000 1.154 165 I CB 1.910 39.906 38.000 -0.008 0.000 1.315 165 I HN 0.652 nan 8.210 nan 0.000 0.448 166 A N 6.464 129.270 122.820 -0.023 0.000 2.317 166 A HA 0.803 5.124 4.320 0.001 0.000 0.327 166 A C -0.738 176.892 177.584 0.076 0.000 1.178 166 A CA -0.493 51.531 52.037 -0.022 0.000 0.817 166 A CB 1.294 20.159 19.000 -0.224 0.000 1.189 166 A HN 0.454 nan 8.150 nan 0.000 0.489 167 V N 4.087 124.127 119.914 0.209 0.000 2.444 167 V HA 0.358 4.479 4.120 0.001 0.000 0.294 167 V C -0.325 175.930 176.094 0.268 0.000 1.022 167 V CA -0.146 62.293 62.300 0.232 0.000 0.850 167 V CB 1.248 33.270 31.823 0.333 0.000 0.992 167 V HN 0.775 nan 8.190 nan 0.000 0.426 168 I N 3.483 124.179 120.570 0.210 0.000 2.437 168 I HA 0.681 4.852 4.170 0.001 0.000 0.298 168 I C 0.846 177.084 176.117 0.200 0.000 0.984 168 I CA -0.228 61.222 61.300 0.250 0.000 1.214 168 I CB 1.766 39.889 38.000 0.205 0.000 1.365 168 I HN 0.693 nan 8.210 nan 0.000 0.469 169 G N 6.116 115.033 108.800 0.195 0.000 2.415 169 G HA2 0.770 4.730 3.960 0.001 0.000 0.327 169 G HA3 0.770 4.730 3.960 0.001 0.000 0.327 169 G C -1.091 173.895 174.900 0.144 0.000 1.182 169 G CA -0.441 44.753 45.100 0.157 0.000 0.924 169 G HN 0.424 nan 8.290 nan 0.000 0.470 170 L N 0.999 122.307 121.223 0.142 0.000 2.422 170 L HA 0.579 4.919 4.340 0.001 0.000 0.264 170 L C -0.334 176.634 176.870 0.163 0.000 0.984 170 L CA -0.788 54.139 54.840 0.145 0.000 0.819 170 L CB 2.935 45.071 42.059 0.128 0.000 1.330 170 L HN 0.431 nan 8.230 nan 0.000 0.410 171 T N -0.187 114.480 114.554 0.188 0.000 2.841 171 T HA 0.234 4.584 4.350 0.001 0.000 0.283 171 T C -0.115 174.686 174.700 0.169 0.000 1.000 171 T CA -0.425 61.807 62.100 0.219 0.000 0.977 171 T CB 1.856 70.915 68.868 0.319 0.000 0.979 171 T HN 0.600 nan 8.240 nan 0.000 0.446 172 T N 2.184 116.771 114.554 0.054 0.000 2.933 172 T HA -0.024 4.327 4.350 0.001 0.000 0.306 172 T C 1.057 175.708 174.700 -0.082 0.000 1.045 172 T CA -0.215 61.855 62.100 -0.050 0.000 1.143 172 T CB 0.034 68.762 68.868 -0.234 0.000 1.003 172 T HN 0.672 nan 8.240 nan 0.000 0.540 173 D N 2.876 123.255 120.400 -0.035 0.000 2.324 173 D HA 0.006 4.647 4.640 0.001 0.000 0.235 173 D C 0.786 176.972 176.300 -0.190 0.000 1.095 173 D CA 0.037 54.006 54.000 -0.051 0.000 0.871 173 D CB 0.067 40.896 40.800 0.049 0.000 0.906 173 D HN 0.499 nan 8.370 nan 0.000 0.522 174 D N 0.169 120.446 120.400 -0.206 0.000 2.348 174 D HA -0.030 4.611 4.640 0.001 0.000 0.211 174 D C 1.503 177.597 176.300 -0.342 0.000 0.998 174 D CA 0.424 54.313 54.000 -0.184 0.000 0.873 174 D CB 0.215 40.988 40.800 -0.045 0.000 0.925 174 D HN 0.122 nan 8.370 nan 0.000 0.524 175 T N 0.428 114.611 114.554 -0.617 0.000 2.624 175 T HA -0.234 4.116 4.350 0.001 0.000 0.268 175 T C 1.956 176.070 174.700 -0.977 0.000 1.041 175 T CA 1.842 63.425 62.100 -0.861 0.000 1.159 175 T CB -0.172 67.823 68.868 -1.455 0.000 0.863 175 T HN 0.220 nan 8.240 nan 0.000 0.434 176 A N 1.000 123.062 122.820 -1.264 0.000 1.929 176 A HA -0.002 4.319 4.320 0.001 0.000 0.216 176 A C 2.209 179.555 177.584 -0.396 0.000 1.176 176 A CA 1.720 53.098 52.037 -1.098 0.000 0.628 176 A CB -0.489 18.098 19.000 -0.688 0.000 0.816 176 A HN 0.491 nan 8.150 nan 0.000 0.444 177 K N 0.239 120.461 120.400 -0.297 0.000 2.103 177 K HA -0.111 4.210 4.320 0.001 0.000 0.207 177 K C 1.530 178.097 176.600 -0.055 0.000 1.048 177 K CA 1.866 58.074 56.287 -0.131 0.000 0.930 177 K CB -0.279 32.158 32.500 -0.105 0.000 0.716 177 K HN 0.704 nan 8.250 nan 0.000 0.444 178 I N -3.482 117.061 120.570 -0.046 0.000 4.082 178 I HA 0.335 4.506 4.170 0.001 0.000 0.337 178 I C 0.647 176.880 176.117 0.193 0.000 1.352 178 I CA -0.625 60.724 61.300 0.081 0.000 1.097 178 I CB 0.692 38.732 38.000 0.067 0.000 1.048 178 I HN -0.051 nan 8.210 nan 0.000 0.393 179 G N 1.253 110.169 108.800 0.194 0.000 2.613 179 G HA2 0.194 4.154 3.960 0.001 0.000 0.303 179 G HA3 0.194 4.154 3.960 0.001 0.000 0.303 179 G C -0.912 174.339 174.900 0.585 0.000 1.312 179 G CA -0.746 44.614 45.100 0.433 0.000 1.036 179 G HN 0.235 nan 8.290 nan 0.000 0.513 180 N N 0.552 119.546 118.700 0.491 0.000 2.427 180 N HA 0.182 4.922 4.740 0.001 0.000 0.269 180 N C -1.340 174.133 175.510 -0.062 0.000 1.235 180 N CA -1.390 51.743 53.050 0.138 0.000 0.934 180 N CB 1.347 39.708 38.487 -0.210 0.000 1.121 180 N HN -0.033 nan 8.380 nan 0.000 0.480 181 P HA -0.254 nan 4.420 nan 0.000 0.217 181 P C 0.716 177.975 177.300 -0.068 0.000 1.158 181 P CA 1.679 64.768 63.100 -0.018 0.000 0.887 181 P CB 0.025 31.649 31.700 -0.126 0.000 0.792 182 E N -1.797 118.290 120.200 -0.188 0.000 2.209 182 E HA -0.232 4.119 4.350 0.001 0.000 0.196 182 E C 1.218 177.779 176.600 -0.064 0.000 0.993 182 E CA 1.178 57.495 56.400 -0.138 0.000 0.819 182 E CB -1.056 28.545 29.700 -0.165 0.000 0.745 182 E HN 0.303 nan 8.360 nan 0.000 0.477 183 Y N -0.455 119.649 120.300 -0.326 0.000 2.561 183 Y HA 0.075 4.626 4.550 0.001 0.000 0.291 183 Y C 0.845 176.379 175.900 -0.610 0.000 1.141 183 Y CA -0.095 57.693 58.100 -0.521 0.000 1.303 183 Y CB -0.065 37.941 38.460 -0.757 0.000 1.015 183 Y HN 0.052 nan 8.280 nan 0.000 0.547 184 F N -1.233 118.831 119.950 0.189 0.000 2.698 184 F HA 0.179 4.706 4.527 0.001 0.000 0.304 184 F C 1.938 177.780 175.800 0.069 0.000 1.108 184 F CA -0.175 57.898 58.000 0.121 0.000 1.263 184 F CB -0.974 38.101 39.000 0.124 0.000 1.013 184 F HN -0.102 nan 8.300 nan 0.000 0.532 185 T N -2.926 111.718 114.554 0.150 0.000 2.778 185 T HA -0.244 4.106 4.350 0.001 0.000 0.269 185 T C 1.192 175.943 174.700 0.084 0.000 1.050 185 T CA 2.057 64.214 62.100 0.094 0.000 1.137 185 T CB -0.120 68.777 68.868 0.049 0.000 0.860 185 T HN 0.157 nan 8.240 nan 0.000 0.468 186 D N -0.024 120.429 120.400 0.088 0.000 2.650 186 D HA 0.359 4.999 4.640 0.001 0.000 0.265 186 D C -0.656 175.680 176.300 0.060 0.000 1.339 186 D CA -0.535 53.500 54.000 0.058 0.000 0.816 186 D CB -0.052 40.766 40.800 0.030 0.000 1.091 186 D HN 0.496 nan 8.370 nan 0.000 0.483 187 I N 1.509 122.144 120.570 0.108 0.000 2.533 187 I HA 0.332 4.502 4.170 0.001 0.000 0.290 187 I C -0.402 175.732 176.117 0.029 0.000 1.056 187 I CA -0.872 60.462 61.300 0.055 0.000 1.057 187 I CB 2.195 40.274 38.000 0.130 0.000 1.240 187 I HN -0.014 nan 8.210 nan 0.000 0.423 188 E N 5.403 125.551 120.200 -0.087 0.000 2.288 188 E HA 0.557 4.907 4.350 0.001 0.000 0.268 188 E C -1.797 174.672 176.600 -0.218 0.000 0.885 188 E CA -0.720 55.655 56.400 -0.042 0.000 0.767 188 E CB 2.267 31.971 29.700 0.006 0.000 1.220 188 E HN 0.269 nan 8.360 nan 0.000 0.427 189 F N 1.642 121.563 119.950 -0.049 0.000 2.332 189 F HA 0.414 4.942 4.527 0.001 0.000 0.368 189 F C 0.588 176.390 175.800 0.004 0.000 1.110 189 F CA -0.771 57.216 58.000 -0.021 0.000 1.087 189 F CB 1.304 40.237 39.000 -0.111 0.000 1.235 189 F HN 0.221 nan 8.300 nan 0.000 0.470 190 R N 1.881 122.470 120.500 0.147 0.000 2.531 190 R HA 0.274 4.614 4.340 0.001 0.000 0.273 190 R C 0.073 176.434 176.300 0.102 0.000 1.070 190 R CA -0.978 55.174 56.100 0.087 0.000 1.112 190 R CB 0.787 31.109 30.300 0.037 0.000 1.049 190 R HN 0.502 nan 8.270 nan 0.000 0.508 191 K N 2.720 123.153 120.400 0.056 0.000 2.473 191 K HA -0.085 4.236 4.320 0.001 0.000 0.277 191 K C -1.717 174.925 176.600 0.070 0.000 1.052 191 K CA -0.568 55.748 56.287 0.047 0.000 1.114 191 K CB 0.304 32.816 32.500 0.020 0.000 0.869 191 K HN 0.330 nan 8.250 nan 0.000 0.481 192 P HA -0.209 nan 4.420 nan 0.000 0.215 192 P C 0.990 178.335 177.300 0.075 0.000 1.157 192 P CA 1.235 64.390 63.100 0.092 0.000 0.863 192 P CB 0.187 31.940 31.700 0.088 0.000 0.787 193 A N 0.128 122.978 122.820 0.051 0.000 1.908 193 A HA -0.248 4.073 4.320 0.001 0.000 0.218 193 A C 1.978 179.589 177.584 0.045 0.000 1.181 193 A CA 2.288 54.351 52.037 0.042 0.000 0.627 193 A CB -1.537 17.477 19.000 0.024 0.000 0.818 193 A HN 0.107 nan 8.150 nan 0.000 0.445 194 D N -0.807 119.618 120.400 0.042 0.000 2.117 194 D HA -0.120 4.521 4.640 0.001 0.000 0.197 194 D C 1.891 178.228 176.300 0.061 0.000 0.987 194 D CA 1.600 55.624 54.000 0.040 0.000 0.829 194 D CB -0.359 40.457 40.800 0.027 0.000 0.961 194 D HN 0.579 nan 8.370 nan 0.000 0.460 195 E N 0.747 120.997 120.200 0.084 0.000 2.110 195 E HA -0.081 4.269 4.350 0.001 0.000 0.193 195 E C 1.906 178.578 176.600 0.120 0.000 0.988 195 E CA 1.174 57.646 56.400 0.120 0.000 0.804 195 E CB -0.226 29.568 29.700 0.157 0.000 0.745 195 E HN 0.178 nan 8.360 nan 0.000 0.458 196 A N 0.947 123.827 122.820 0.101 0.000 1.883 196 A HA -0.258 4.062 4.320 0.001 0.000 0.217 196 A C 2.029 179.659 177.584 0.076 0.000 1.186 196 A CA 1.971 54.064 52.037 0.093 0.000 0.624 196 A CB -0.499 18.546 19.000 0.074 0.000 0.822 196 A HN 0.201 nan 8.150 nan 0.000 0.444 197 K N -0.431 120.005 120.400 0.060 0.000 2.044 197 K HA -0.144 4.176 4.320 0.001 0.000 0.210 197 K C 1.913 178.546 176.600 0.054 0.000 1.049 197 K CA 1.662 57.976 56.287 0.045 0.000 0.927 197 K CB -0.483 32.039 32.500 0.036 0.000 0.713 197 K HN 0.491 nan 8.250 nan 0.000 0.443 198 L N 0.459 121.726 121.223 0.073 0.000 2.027 198 L HA -0.181 4.159 4.340 0.001 0.000 0.206 198 L C 2.416 179.357 176.870 0.118 0.000 1.074 198 L CA 0.896 55.788 54.840 0.088 0.000 0.745 198 L CB -0.501 41.617 42.059 0.098 0.000 0.898 198 L HN -0.004 nan 8.230 nan 0.000 0.433 199 V N 0.141 120.150 119.914 0.157 0.000 2.343 199 V HA -0.283 3.837 4.120 0.001 0.000 0.247 199 V C 2.334 178.480 176.094 0.087 0.000 1.051 199 V CA 1.742 64.179 62.300 0.230 0.000 1.036 199 V CB -0.287 31.722 31.823 0.309 0.000 0.654 199 V HN 0.299 nan 8.190 nan 0.000 0.451 200 I N -0.397 120.198 120.570 0.042 0.000 2.127 200 I HA -0.332 3.839 4.170 0.001 0.000 0.241 200 I C 2.695 178.787 176.117 -0.041 0.000 1.075 200 I CA 1.970 63.256 61.300 -0.025 0.000 1.334 200 I CB -0.445 37.553 38.000 -0.004 0.000 1.040 200 I HN 0.372 nan 8.210 nan 0.000 0.405 201 Q N 0.758 120.557 119.800 -0.002 0.000 2.061 201 Q HA -0.302 4.038 4.340 0.001 0.000 0.204 201 Q C 2.183 178.177 176.000 -0.010 0.000 0.984 201 Q CA 2.042 57.844 55.803 -0.002 0.000 0.846 201 Q CB -0.093 28.656 28.738 0.018 0.000 0.902 201 Q HN 0.477 nan 8.270 nan 0.000 0.421 202 E N -0.062 120.148 120.200 0.016 0.000 2.077 202 E HA -0.193 4.158 4.350 0.001 0.000 0.193 202 E C 2.128 178.683 176.600 -0.075 0.000 0.989 202 E CA 0.902 57.323 56.400 0.034 0.000 0.800 202 E CB -0.056 29.740 29.700 0.161 0.000 0.746 202 E HN 0.393 nan 8.360 nan 0.000 0.452 203 L N 0.429 121.510 121.223 -0.236 0.000 2.056 203 L HA -0.207 4.133 4.340 0.001 0.000 0.207 203 L C 2.680 179.416 176.870 -0.224 0.000 1.078 203 L CA 1.205 55.792 54.840 -0.422 0.000 0.749 203 L CB -0.267 41.434 42.059 -0.598 0.000 0.901 203 L HN 0.195 nan 8.230 nan 0.000 0.433 204 Q N -0.568 119.147 119.800 -0.142 0.000 2.124 204 Q HA -0.256 4.084 4.340 0.001 0.000 0.202 204 Q C 2.168 178.134 176.000 -0.058 0.000 0.977 204 Q CA 1.516 57.268 55.803 -0.086 0.000 0.850 204 Q CB -0.009 28.697 28.738 -0.053 0.000 0.901 204 Q HN 0.587 nan 8.270 nan 0.000 0.429 205 Q N -0.950 118.823 119.800 -0.045 0.000 2.302 205 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 205 Q C 1.882 177.870 176.000 -0.019 0.000 0.936 205 Q CA 1.495 57.285 55.803 -0.022 0.000 0.886 205 Q CB 0.423 29.158 28.738 -0.004 0.000 0.986 205 Q HN 0.465 nan 8.270 nan 0.000 0.487 206 T N -1.262 113.273 114.554 -0.031 0.000 3.252 206 T HA 0.050 4.401 4.350 0.001 0.000 0.233 206 T C 1.630 176.308 174.700 -0.037 0.000 0.975 206 T CA 0.065 62.157 62.100 -0.015 0.000 1.318 206 T CB -0.224 68.658 68.868 0.024 0.000 1.014 206 T HN -0.078 nan 8.240 nan 0.000 0.418 207 E N 1.737 121.888 120.200 -0.083 0.000 2.152 207 E HA 0.016 4.367 4.350 0.001 0.000 0.192 207 E C 0.233 176.777 176.600 -0.093 0.000 0.983 207 E CA 0.434 56.776 56.400 -0.097 0.000 0.818 207 E CB -0.346 29.245 29.700 -0.180 0.000 0.758 207 E HN 0.644 nan 8.360 nan 0.000 0.467 208 K N 1.014 121.353 120.400 -0.102 0.000 3.419 208 K HA -0.137 4.184 4.320 0.001 0.000 0.272 208 K C -2.401 174.152 176.600 -0.078 0.000 0.973 208 K CA 0.275 56.518 56.287 -0.073 0.000 0.749 208 K CB -1.318 31.158 32.500 -0.040 0.000 1.403 208 K HN 0.248 nan 8.250 nan 0.000 0.456 209 P HA 0.017 nan 4.420 nan 0.000 0.274 209 P C 0.018 177.255 177.300 -0.105 0.000 1.231 209 P CA -0.089 62.936 63.100 -0.125 0.000 0.790 209 P CB 0.707 32.304 31.700 -0.171 0.000 0.951 210 D N 0.716 121.030 120.400 -0.143 0.000 2.224 210 D HA 0.062 4.702 4.640 0.001 0.000 0.205 210 D C 0.727 176.862 176.300 -0.276 0.000 0.965 210 D CA 1.359 55.245 54.000 -0.190 0.000 0.852 210 D CB 0.378 40.937 40.800 -0.402 0.000 0.947 210 D HN 0.382 nan 8.370 nan 0.000 0.494 211 I N 0.772 121.173 120.570 -0.282 0.000 2.656 211 I HA 0.323 4.494 4.170 0.001 0.000 0.292 211 I C -0.865 175.150 176.117 -0.170 0.000 1.144 211 I CA -0.640 60.509 61.300 -0.251 0.000 1.038 211 I CB 2.965 40.749 38.000 -0.361 0.000 1.244 211 I HN -0.316 nan 8.210 nan 0.000 0.420 212 I N 6.328 126.820 120.570 -0.129 0.000 2.466 212 I HA 0.518 4.689 4.170 0.001 0.000 0.289 212 I C -0.775 175.300 176.117 -0.070 0.000 1.026 212 I CA -0.456 60.788 61.300 -0.094 0.000 1.078 212 I CB 2.169 40.117 38.000 -0.086 0.000 1.249 212 I HN 0.347 nan 8.210 nan 0.000 0.429 213 I N 4.743 125.289 120.570 -0.039 0.000 2.569 213 I HA 0.671 4.842 4.170 0.001 0.000 0.296 213 I C -0.138 176.000 176.117 0.035 0.000 1.028 213 I CA -0.600 60.688 61.300 -0.020 0.000 1.082 213 I CB 2.242 40.217 38.000 -0.042 0.000 1.264 213 I HN 0.609 nan 8.210 nan 0.000 0.429 214 A N 4.339 127.185 122.820 0.044 0.000 2.331 214 A HA 0.875 5.195 4.320 0.001 0.000 0.320 214 A C -0.562 177.068 177.584 0.078 0.000 1.138 214 A CA -0.567 51.516 52.037 0.076 0.000 0.790 214 A CB 1.258 20.302 19.000 0.073 0.000 1.206 214 A HN 0.756 nan 8.150 nan 0.000 0.470 215 A N 2.311 125.196 122.820 0.107 0.000 2.260 215 A HA 0.749 5.070 4.320 0.001 0.000 0.314 215 A C 0.277 177.938 177.584 0.129 0.000 1.257 215 A CA 0.149 52.255 52.037 0.115 0.000 0.871 215 A CB 0.149 19.233 19.000 0.140 0.000 1.166 215 A HN 1.651 nan 8.150 nan 0.000 0.522 216 T N -0.512 114.117 114.554 0.125 0.000 2.900 216 T HA 0.536 4.886 4.350 0.001 0.000 0.295 216 T C -0.800 174.001 174.700 0.168 0.000 1.044 216 T CA -0.469 61.713 62.100 0.136 0.000 0.995 216 T CB 1.380 70.306 68.868 0.096 0.000 1.072 216 T HN 0.615 nan 8.240 nan 0.000 0.473 217 H N 2.031 121.153 119.070 0.088 0.000 2.360 217 H HA 0.592 5.148 4.556 0.001 0.000 0.233 217 H C 0.375 175.716 175.328 0.022 0.000 1.473 217 H CA -0.572 55.529 56.048 0.089 0.000 1.352 217 H CB -0.047 29.762 29.762 0.079 0.000 1.493 217 H HN 0.678 nan 8.280 nan 0.000 0.533 218 M N 0.770 120.344 119.600 -0.044 0.000 2.447 218 M HA 0.320 4.800 4.480 0.001 0.000 0.255 218 M C 0.450 176.820 176.300 0.116 0.000 1.289 218 M CA 0.639 55.950 55.300 0.017 0.000 1.128 218 M CB 1.362 33.992 32.600 0.051 0.000 1.540 218 M HN 0.579 nan 8.290 nan 0.000 0.557 219 G N 0.916 109.713 108.800 -0.005 0.000 2.784 219 G HA2 -0.133 3.828 3.960 0.001 0.000 0.686 219 G HA3 -0.133 3.828 3.960 0.001 0.000 0.686 219 G C -1.426 173.186 174.900 -0.479 0.000 1.156 219 G CA -0.894 44.068 45.100 -0.230 0.000 0.757 219 G HN 0.458 nan 8.290 nan 0.000 0.642 220 H N 1.518 120.215 119.070 -0.622 0.000 2.504 220 H HA 0.641 5.198 4.556 0.001 0.000 0.322 220 H C -1.090 173.839 175.328 -0.664 0.000 1.055 220 H CA -0.348 55.419 56.048 -0.469 0.000 1.231 220 H CB 0.882 30.498 29.762 -0.243 0.000 1.417 220 H HN 0.442 nan 8.280 nan 0.000 0.472 221 Y N 2.737 122.832 120.300 -0.341 0.000 2.338 221 Y HA 0.122 4.672 4.550 0.001 0.000 0.333 221 Y C 0.101 175.869 175.900 -0.221 0.000 0.968 221 Y CA -1.230 56.791 58.100 -0.132 0.000 1.123 221 Y CB 1.005 39.444 38.460 -0.035 0.000 1.165 221 Y HN 0.567 nan 8.280 nan 0.000 0.452 222 D N 2.717 123.178 120.400 0.103 0.000 2.658 222 D HA -0.118 4.523 4.640 0.001 0.000 0.230 222 D C 0.843 177.164 176.300 0.036 0.000 1.118 222 D CA 1.165 55.224 54.000 0.099 0.000 0.848 222 D CB 0.143 41.006 40.800 0.106 0.000 1.160 222 D HN 0.704 nan 8.370 nan 0.000 0.497 223 N N 1.622 120.331 118.700 0.015 0.000 2.693 223 N HA -0.253 4.487 4.740 0.001 0.000 0.249 223 N C 0.854 176.363 175.510 -0.002 0.000 1.119 223 N CA 1.851 54.902 53.050 0.003 0.000 0.717 223 N CB -0.988 37.503 38.487 0.006 0.000 1.071 223 N HN 0.778 nan 8.380 nan 0.000 0.555 224 G N -1.065 107.737 108.800 0.003 0.000 2.168 224 G HA2 -0.346 3.615 3.960 0.001 0.000 0.257 224 G HA3 -0.346 3.615 3.960 0.001 0.000 0.257 224 G C -0.100 174.821 174.900 0.034 0.000 0.997 224 G CA 0.504 45.647 45.100 0.071 0.000 0.708 224 G HN 0.653 nan 8.290 nan 0.000 0.520 225 E N 0.426 120.617 120.200 -0.016 0.000 1.972 225 E HA 0.322 4.672 4.350 0.001 0.000 0.292 225 E C 1.382 177.846 176.600 -0.227 0.000 1.193 225 E CA 0.061 56.367 56.400 -0.156 0.000 1.228 225 E CB -0.202 29.451 29.700 -0.079 0.000 1.167 225 E HN 0.862 nan 8.360 nan 0.000 0.479 226 H N 0.484 119.416 119.070 -0.230 0.000 2.547 226 H HA 0.162 4.718 4.556 0.001 0.000 0.272 226 H C 1.380 176.421 175.328 -0.478 0.000 0.989 226 H CA 0.213 55.855 56.048 -0.677 0.000 1.214 226 H CB 0.014 29.461 29.762 -0.526 0.000 1.389 226 H HN 0.425 nan 8.280 nan 0.000 0.577 227 G N 0.399 108.933 108.800 -0.442 0.000 2.611 227 G HA2 -0.477 3.484 3.960 0.001 0.000 0.301 227 G HA3 -0.477 3.484 3.960 0.001 0.000 0.301 227 G C 1.451 176.309 174.900 -0.070 0.000 1.233 227 G CA 1.113 46.079 45.100 -0.224 0.000 0.993 227 G HN 0.608 nan 8.290 nan 0.000 0.553 228 S N 0.935 116.600 115.700 -0.059 0.000 2.515 228 S HA 0.015 4.485 4.470 0.001 0.000 0.231 228 S C 1.115 175.710 174.600 -0.009 0.000 0.987 228 S CA 1.157 59.346 58.200 -0.018 0.000 0.936 228 S CB -0.626 62.558 63.200 -0.026 0.000 0.766 228 S HN 0.570 nan 8.310 nan 0.000 0.528 229 N N 1.685 120.352 118.700 -0.056 0.000 2.467 229 N HA 0.344 5.085 4.740 0.001 0.000 0.262 229 N C -0.131 175.344 175.510 -0.058 0.000 1.234 229 N CA 0.275 53.290 53.050 -0.059 0.000 0.952 229 N CB 0.850 39.228 38.487 -0.183 0.000 1.158 229 N HN 0.296 nan 8.380 nan 0.000 0.463 230 A N 1.662 124.459 122.820 -0.038 0.000 2.445 230 A HA 0.296 4.617 4.320 0.001 0.000 0.242 230 A C -2.044 175.411 177.584 -0.216 0.000 1.075 230 A CA -0.885 51.082 52.037 -0.117 0.000 0.777 230 A CB -0.489 18.480 19.000 -0.052 0.000 1.013 230 A HN 0.411 nan 8.150 nan 0.000 0.493 231 P HA 0.188 nan 4.420 nan 0.000 0.265 231 P C 0.557 177.833 177.300 -0.041 0.000 1.187 231 P CA 0.890 63.690 63.100 -0.500 0.000 0.766 231 P CB 0.748 32.197 31.700 -0.419 0.000 0.820 232 G N 1.519 110.404 108.800 0.143 0.000 3.122 232 G HA2 0.131 4.092 3.960 0.001 0.000 0.180 232 G HA3 0.131 4.092 3.960 0.001 0.000 0.180 232 G C 0.395 175.334 174.900 0.064 0.000 1.279 232 G CA -0.324 44.872 45.100 0.159 0.000 0.987 232 G HN 0.287 nan 8.290 nan 0.000 0.589 233 D N -0.581 119.828 120.400 0.014 0.000 2.123 233 D HA -0.137 4.503 4.640 0.001 0.000 0.196 233 D C 2.702 178.996 176.300 -0.009 0.000 0.992 233 D CA 1.021 55.024 54.000 0.004 0.000 0.833 233 D CB -0.341 40.465 40.800 0.010 0.000 0.954 233 D HN 0.041 nan 8.370 nan 0.000 0.455 234 V N 1.013 120.888 119.914 -0.065 0.000 2.261 234 V HA -0.232 3.888 4.120 0.001 0.000 0.246 234 V C 2.512 178.606 176.094 -0.000 0.000 1.047 234 V CA 1.890 64.154 62.300 -0.060 0.000 1.015 234 V CB -0.464 31.273 31.823 -0.143 0.000 0.642 234 V HN 0.199 nan 8.190 nan 0.000 0.446 235 E N -0.494 119.729 120.200 0.040 0.000 2.110 235 E HA -0.282 4.069 4.350 0.001 0.000 0.193 235 E C 2.214 178.830 176.600 0.027 0.000 0.988 235 E CA 1.737 58.167 56.400 0.051 0.000 0.804 235 E CB -0.134 29.620 29.700 0.091 0.000 0.745 235 E HN 0.599 nan 8.360 nan 0.000 0.458 236 M N 0.022 119.636 119.600 0.024 0.000 2.132 236 M HA -0.119 4.362 4.480 0.001 0.000 0.263 236 M C 2.218 178.527 176.300 0.016 0.000 1.065 236 M CA 1.764 57.077 55.300 0.022 0.000 1.122 236 M CB -0.065 32.553 32.600 0.029 0.000 1.365 236 M HN 0.173 nan 8.290 nan 0.000 0.411 237 A N 0.776 123.603 122.820 0.011 0.000 1.940 237 A HA -0.191 4.130 4.320 0.001 0.000 0.219 237 A C 2.087 179.667 177.584 -0.007 0.000 1.176 237 A CA 1.852 53.890 52.037 0.001 0.000 0.631 237 A CB -0.695 18.302 19.000 -0.005 0.000 0.814 237 A HN 0.622 nan 8.150 nan 0.000 0.446 238 R N -0.750 119.748 120.500 -0.004 0.000 2.115 238 R HA 0.004 4.344 4.340 0.001 0.000 0.230 238 R C 2.206 178.505 176.300 -0.002 0.000 1.111 238 R CA 1.073 57.169 56.100 -0.007 0.000 0.976 238 R CB -0.315 29.984 30.300 -0.001 0.000 0.870 238 R HN 0.496 nan 8.270 nan 0.000 0.445 239 A N 0.645 123.468 122.820 0.005 0.000 2.169 239 A HA 0.132 4.453 4.320 0.001 0.000 0.212 239 A C 0.933 178.521 177.584 0.007 0.000 1.153 239 A CA 0.224 52.266 52.037 0.007 0.000 0.756 239 A CB 0.018 19.026 19.000 0.012 0.000 0.813 239 A HN 0.058 nan 8.150 nan 0.000 0.471 240 L N -0.212 121.014 121.223 0.005 0.000 2.454 240 L HA 0.310 4.651 4.340 0.001 0.000 0.256 240 L C -2.303 174.566 176.870 -0.002 0.000 1.136 240 L CA -2.331 52.512 54.840 0.005 0.000 0.804 240 L CB 0.316 42.380 42.059 0.008 0.000 1.181 240 L HN -0.043 nan 8.230 nan 0.000 0.469 241 P HA 0.016 nan 4.420 nan 0.000 0.266 241 P C -0.876 176.417 177.300 -0.012 0.000 1.195 241 P CA -0.207 62.890 63.100 -0.005 0.000 0.768 241 P CB 0.539 32.237 31.700 -0.003 0.000 0.838 242 A N 3.474 126.284 122.820 -0.016 0.000 2.545 242 A HA 0.384 4.705 4.320 0.001 0.000 0.253 242 A C 1.533 179.102 177.584 -0.025 0.000 1.074 242 A CA 0.709 52.730 52.037 -0.027 0.000 0.760 242 A CB -1.500 17.483 19.000 -0.029 0.000 1.005 242 A HN 0.893 nan 8.150 nan 0.000 0.506 243 G N 1.986 110.766 108.800 -0.034 0.000 2.153 243 G HA2 -0.285 3.676 3.960 0.001 0.000 0.252 243 G HA3 -0.285 3.676 3.960 0.001 0.000 0.252 243 G C 1.055 175.949 174.900 -0.010 0.000 0.994 243 G CA 1.176 46.261 45.100 -0.024 0.000 0.698 243 G HN 1.976 nan 8.290 nan 0.000 0.521 244 S N -1.252 114.442 115.700 -0.011 0.000 2.481 244 S HA 0.366 4.836 4.470 0.001 0.000 0.231 244 S C 0.902 175.494 174.600 -0.013 0.000 0.996 244 S CA 0.730 58.924 58.200 -0.010 0.000 0.942 244 S CB 0.307 63.503 63.200 -0.007 0.000 0.768 244 S HN 0.600 nan 8.310 nan 0.000 0.520 245 L N 0.387 121.605 121.223 -0.008 0.000 2.386 245 L HA 0.617 4.958 4.340 0.001 0.000 0.271 245 L C 1.110 177.982 176.870 0.003 0.000 0.993 245 L CA -0.512 54.323 54.840 -0.008 0.000 0.819 245 L CB 1.760 43.824 42.059 0.008 0.000 1.294 245 L HN 0.104 nan 8.230 nan 0.000 0.414 246 A N 4.459 127.264 122.820 -0.025 0.000 1.898 246 A HA 0.027 4.348 4.320 0.001 0.000 0.216 246 A C 0.671 178.333 177.584 0.131 0.000 1.181 246 A CA 1.492 53.524 52.037 -0.007 0.000 0.620 246 A CB 0.013 18.871 19.000 -0.236 0.000 0.819 246 A HN 0.768 nan 8.150 nan 0.000 0.442 247 M N -2.923 116.719 119.600 0.070 0.000 2.643 247 M HA 0.639 5.119 4.480 0.001 0.000 0.276 247 M C -2.223 174.117 176.300 0.066 0.000 1.200 247 M CA -0.602 54.789 55.300 0.152 0.000 0.863 247 M CB 1.417 34.153 32.600 0.225 0.000 1.711 247 M HN -0.085 nan 8.290 nan 0.000 0.492 248 I N 2.542 123.152 120.570 0.067 0.000 2.355 248 I HA 0.434 4.604 4.170 0.001 0.000 0.288 248 I C -0.836 175.276 176.117 -0.009 0.000 0.999 248 I CA -1.070 60.251 61.300 0.036 0.000 1.163 248 I CB 2.051 40.078 38.000 0.045 0.000 1.316 248 I HN 0.480 nan 8.210 nan 0.000 0.454 249 V N 6.679 126.578 119.914 -0.024 0.000 2.353 249 V HA 0.416 4.537 4.120 0.001 0.000 0.264 249 V C 0.849 176.953 176.094 0.015 0.000 1.049 249 V CA -0.150 62.098 62.300 -0.087 0.000 0.896 249 V CB 0.648 32.433 31.823 -0.064 0.000 1.025 249 V HN 0.908 nan 8.190 nan 0.000 0.475 250 G N 3.033 111.844 108.800 0.019 0.000 2.702 250 G HA2 0.885 4.846 3.960 0.001 0.000 0.254 250 G HA3 0.885 4.846 3.960 0.001 0.000 0.254 250 G C 0.052 175.010 174.900 0.097 0.000 1.380 250 G CA -0.065 45.070 45.100 0.058 0.000 1.042 250 G HN 1.107 nan 8.290 nan 0.000 0.557 251 G N -3.444 105.385 108.800 0.049 0.000 2.364 251 G HA2 0.481 4.442 3.960 0.001 0.000 0.286 251 G HA3 0.481 4.442 3.960 0.001 0.000 0.286 251 G C 0.045 174.885 174.900 -0.100 0.000 1.241 251 G CA 0.999 46.131 45.100 0.052 0.000 0.887 251 G HN 1.666 nan 8.290 nan 0.000 0.484 252 H N -1.104 117.745 119.070 -0.369 0.000 4.905 252 H HA -0.334 4.222 4.556 0.001 0.000 0.065 252 H C 2.361 177.667 175.328 -0.036 0.000 0.584 252 H CA 4.096 59.894 56.048 -0.416 0.000 0.984 252 H CB -1.435 27.902 29.762 -0.708 0.000 0.446 252 H HN 1.297 nan 8.280 nan 0.000 0.786 253 S N 1.015 116.628 115.700 -0.144 0.000 2.453 253 S HA -0.044 4.426 4.470 0.001 0.000 0.231 253 S C 0.895 175.461 174.600 -0.057 0.000 1.005 253 S CA 1.142 59.244 58.200 -0.162 0.000 0.949 253 S CB -0.040 63.007 63.200 -0.254 0.000 0.774 253 S HN 0.721 nan 8.310 nan 0.000 0.510 254 Q N 1.317 121.120 119.800 0.006 0.000 2.456 254 Q HA -0.110 4.230 4.340 0.001 0.000 0.325 254 Q C -1.495 174.514 176.000 0.015 0.000 1.453 254 Q CA 0.678 56.535 55.803 0.090 0.000 0.848 254 Q CB -1.492 27.321 28.738 0.124 0.000 1.123 254 Q HN 0.668 nan 8.270 nan 0.000 0.374 255 D N 0.809 121.156 120.400 -0.088 0.000 2.671 255 D HA 0.391 5.032 4.640 0.001 0.000 0.232 255 D C -2.596 173.533 176.300 -0.285 0.000 1.114 255 D CA -1.519 52.317 54.000 -0.273 0.000 0.858 255 D CB 2.086 42.760 40.800 -0.209 0.000 1.544 255 D HN -0.074 nan 8.370 nan 0.000 0.471 256 P HA 0.136 nan 4.420 nan 0.000 0.291 256 P C -0.105 176.926 177.300 -0.449 0.000 1.340 256 P CA -0.456 62.368 63.100 -0.459 0.000 0.799 256 P CB 0.998 32.301 31.700 -0.661 0.000 0.917 257 V N 5.144 124.838 119.914 -0.367 0.000 2.326 257 V HA 0.070 4.190 4.120 0.001 0.000 0.249 257 V C 0.249 176.115 176.094 -0.381 0.000 1.114 257 V CA 0.332 62.380 62.300 -0.420 0.000 1.028 257 V CB -0.597 30.961 31.823 -0.443 0.000 1.170 257 V HN 0.634 nan 8.190 nan 0.000 0.494 258 c N 6.704 125.083 118.600 -0.368 0.000 2.407 258 c HA 0.534 5.105 4.570 0.001 0.000 0.328 258 c C 0.181 174.176 174.090 -0.158 0.000 1.137 258 c CA -1.275 54.890 56.329 -0.272 0.000 1.390 258 c CB 0.758 43.023 42.510 -0.409 0.000 1.989 258 c HN 0.644 nan 8.230 nan 0.000 0.432 259 M N 2.267 121.801 119.600 -0.109 0.000 2.228 259 M HA 0.250 4.731 4.480 0.001 0.000 0.351 259 M C 1.033 177.324 176.300 -0.015 0.000 1.233 259 M CA -0.245 55.022 55.300 -0.055 0.000 1.129 259 M CB 0.115 32.699 32.600 -0.027 0.000 1.604 259 M HN 0.813 nan 8.290 nan 0.000 0.457 260 A N 2.231 125.049 122.820 -0.004 0.000 2.063 260 A HA 0.632 4.952 4.320 0.001 0.000 0.211 260 A C 0.829 178.419 177.584 0.010 0.000 1.177 260 A CA 0.944 52.986 52.037 0.009 0.000 0.759 260 A CB 0.258 19.265 19.000 0.010 0.000 0.857 260 A HN 0.872 nan 8.150 nan 0.000 0.468 261 A N -1.023 121.803 122.820 0.010 0.000 2.599 261 A HA 0.553 4.874 4.320 0.001 0.000 0.290 261 A C -0.782 176.810 177.584 0.014 0.000 1.101 261 A CA -0.487 51.556 52.037 0.011 0.000 0.674 261 A CB 0.206 19.212 19.000 0.010 0.000 1.277 261 A HN 0.153 nan 8.150 nan 0.000 0.419 262 E N 1.115 121.322 120.200 0.012 0.000 2.480 262 E HA 0.041 4.392 4.350 0.001 0.000 0.258 262 E C -0.183 176.429 176.600 0.019 0.000 0.984 262 E CA 0.523 56.930 56.400 0.012 0.000 0.930 262 E CB 0.007 29.709 29.700 0.004 0.000 0.936 262 E HN 0.550 nan 8.360 nan 0.000 0.466 263 N N 2.929 121.648 118.700 0.032 0.000 2.708 263 N HA -0.206 4.534 4.740 0.001 0.000 0.251 263 N C -1.255 174.292 175.510 0.061 0.000 1.123 263 N CA 1.237 54.317 53.050 0.050 0.000 0.739 263 N CB -0.685 37.819 38.487 0.029 0.000 1.113 263 N HN 0.481 nan 8.380 nan 0.000 0.561 264 K N 0.607 121.037 120.400 0.050 0.000 2.578 264 K HA 0.289 4.610 4.320 0.001 0.000 0.250 264 K C -0.277 176.337 176.600 0.022 0.000 0.955 264 K CA -0.526 55.787 56.287 0.043 0.000 0.825 264 K CB 2.107 34.623 32.500 0.025 0.000 1.151 264 K HN -0.039 nan 8.250 nan 0.000 0.432 265 K N 2.012 122.423 120.400 0.018 0.000 2.237 265 K HA 0.111 4.431 4.320 0.001 0.000 0.270 265 K C 0.066 176.648 176.600 -0.029 0.000 1.015 265 K CA -0.213 56.046 56.287 -0.048 0.000 0.949 265 K CB 0.758 33.206 32.500 -0.087 0.000 0.976 265 K HN 0.430 nan 8.250 nan 0.000 0.472 266 Q N 1.026 120.805 119.800 -0.035 0.000 2.395 266 Q HA 0.065 4.406 4.340 0.001 0.000 0.271 266 Q C -0.390 175.611 176.000 0.002 0.000 1.026 266 Q CA -0.091 55.717 55.803 0.007 0.000 0.900 266 Q CB 0.835 29.612 28.738 0.066 0.000 1.266 266 Q HN 0.237 nan 8.270 nan 0.000 0.430 267 V N 2.741 122.662 119.914 0.012 0.000 2.532 267 V HA 0.050 4.171 4.120 0.001 0.000 0.295 267 V C -0.165 175.942 176.094 0.020 0.000 1.041 267 V CA -0.382 61.922 62.300 0.006 0.000 0.926 267 V CB 1.621 33.447 31.823 0.004 0.000 0.992 267 V HN 0.878 nan 8.190 nan 0.000 0.457 268 D N 1.949 122.361 120.400 0.021 0.000 2.697 268 D HA -0.238 4.402 4.640 0.001 0.000 0.238 268 D C -0.276 176.051 176.300 0.045 0.000 1.152 268 D CA 0.681 54.699 54.000 0.030 0.000 0.666 268 D CB -0.831 39.976 40.800 0.012 0.000 1.037 268 D HN 0.634 nan 8.370 nan 0.000 0.423 269 Y N 0.112 120.376 120.300 -0.060 0.000 2.702 269 Y HA 0.157 4.707 4.550 0.001 0.000 0.336 269 Y C 0.030 175.905 175.900 -0.041 0.000 1.235 269 Y CA 0.049 58.107 58.100 -0.069 0.000 1.492 269 Y CB 0.653 39.043 38.460 -0.117 0.000 1.308 269 Y HN -0.040 nan 8.280 nan 0.000 0.589 270 V N 9.050 128.441 119.914 -0.872 0.000 2.394 270 V HA 0.291 4.412 4.120 0.001 0.000 0.282 270 V C -2.105 173.398 176.094 -0.984 0.000 1.031 270 V CA -2.194 59.701 62.300 -0.675 0.000 0.881 270 V CB 1.164 32.773 31.823 -0.358 0.000 0.982 270 V HN 0.748 nan 8.190 nan 0.000 0.451 271 P HA 0.172 nan 4.420 nan 0.000 0.264 271 P C 0.984 177.945 177.300 -0.565 0.000 1.183 271 P CA 1.368 64.121 63.100 -0.578 0.000 0.763 271 P CB 0.538 31.614 31.700 -1.041 0.000 0.807 272 G N 1.201 109.878 108.800 -0.204 0.000 2.179 272 G HA2 -0.214 3.746 3.960 0.001 0.000 0.260 272 G HA3 -0.214 3.746 3.960 0.001 0.000 0.260 272 G C 0.321 175.165 174.900 -0.092 0.000 0.977 272 G CA 0.422 45.462 45.100 -0.099 0.000 0.641 272 G HN 0.827 nan 8.290 nan 0.000 0.533 273 T N -1.213 113.237 114.554 -0.174 0.000 2.944 273 T HA 0.690 5.040 4.350 0.001 0.000 0.284 273 T C -2.329 172.392 174.700 0.036 0.000 1.010 273 T CA -1.614 60.418 62.100 -0.112 0.000 1.025 273 T CB 2.291 71.029 68.868 -0.216 0.000 1.079 273 T HN 0.034 nan 8.240 nan 0.000 0.516 274 P HA 0.263 nan 4.420 nan 0.000 0.267 274 P C -0.845 176.555 177.300 0.166 0.000 1.200 274 P CA -0.455 62.692 63.100 0.078 0.000 0.772 274 P CB 0.231 31.956 31.700 0.041 0.000 0.855 275 c N 4.433 123.100 118.600 0.112 0.000 2.346 275 c HA 0.404 4.975 4.570 0.001 0.000 0.326 275 c C -0.249 173.891 174.090 0.083 0.000 1.224 275 c CA -0.700 55.667 56.329 0.064 0.000 1.408 275 c CB -0.440 42.054 42.510 -0.027 0.000 2.089 275 c HN 0.560 nan 8.230 nan 0.000 0.456 276 K N 8.131 128.534 120.400 0.005 0.000 2.281 276 K HA 0.461 4.782 4.320 0.001 0.000 0.272 276 K C -2.195 174.347 176.600 -0.097 0.000 1.048 276 K CA -1.309 54.968 56.287 -0.016 0.000 0.898 276 K CB 1.187 33.698 32.500 0.019 0.000 1.128 276 K HN 0.546 nan 8.250 nan 0.000 0.460 277 P HA -0.004 nan 4.420 nan 0.000 0.273 277 P C -0.616 176.690 177.300 0.010 0.000 1.250 277 P CA -0.238 62.694 63.100 -0.281 0.000 0.793 277 P CB 0.645 31.963 31.700 -0.635 0.000 1.011 278 D N -0.205 120.193 120.400 -0.004 0.000 2.329 278 D HA 0.179 4.820 4.640 0.001 0.000 0.246 278 D C -0.574 175.801 176.300 0.126 0.000 1.111 278 D CA 0.131 54.172 54.000 0.069 0.000 0.941 278 D CB 0.555 41.421 40.800 0.109 0.000 1.169 278 D HN 0.278 nan 8.370 nan 0.000 0.441 279 Q N 1.673 121.461 119.800 -0.020 0.000 2.263 279 Q HA 0.261 4.601 4.340 0.001 0.000 0.262 279 Q C -1.679 174.214 176.000 -0.178 0.000 0.984 279 Q CA -0.784 54.870 55.803 -0.248 0.000 0.813 279 Q CB 1.148 29.456 28.738 -0.716 0.000 1.299 279 Q HN 0.284 nan 8.270 nan 0.000 0.428 280 Q N 2.728 122.442 119.800 -0.144 0.000 2.304 280 Q HA 0.251 4.592 4.340 0.001 0.000 0.270 280 Q C -0.768 175.168 176.000 -0.106 0.000 1.035 280 Q CA -0.549 55.197 55.803 -0.095 0.000 0.781 280 Q CB 1.758 30.471 28.738 -0.041 0.000 1.261 280 Q HN 0.887 nan 8.270 nan 0.000 0.444 281 N N 1.400 120.040 118.700 -0.099 0.000 2.725 281 N HA -0.254 4.486 4.740 0.001 0.000 0.251 281 N C 0.602 176.047 175.510 -0.109 0.000 1.031 281 N CA 1.881 54.881 53.050 -0.084 0.000 0.720 281 N CB -1.004 37.452 38.487 -0.052 0.000 0.930 281 N HN 1.073 nan 8.380 nan 0.000 0.543 282 G N -1.327 107.370 108.800 -0.171 0.000 2.168 282 G HA2 -0.302 3.659 3.960 0.001 0.000 0.263 282 G HA3 -0.302 3.659 3.960 0.001 0.000 0.263 282 G C 0.194 174.950 174.900 -0.240 0.000 0.977 282 G CA 0.604 45.578 45.100 -0.211 0.000 0.659 282 G HN 0.606 nan 8.290 nan 0.000 0.533 283 I N -0.244 120.199 120.570 -0.212 0.000 2.378 283 I HA 0.432 4.602 4.170 0.001 0.000 0.291 283 I C 0.308 176.349 176.117 -0.127 0.000 0.992 283 I CA -1.127 60.098 61.300 -0.124 0.000 1.154 283 I CB 0.885 38.862 38.000 -0.038 0.000 1.315 283 I HN 0.110 nan 8.210 nan 0.000 0.448 284 W N 6.815 128.131 121.300 0.026 0.000 2.218 284 W HA 0.477 5.137 4.660 0.001 0.000 0.326 284 W C -0.186 176.310 176.519 -0.037 0.000 1.276 284 W CA -0.202 57.139 57.345 -0.006 0.000 1.210 284 W CB 0.589 30.073 29.460 0.039 0.000 1.143 284 W HN 0.208 nan 8.180 nan 0.000 0.563 285 I N 4.628 125.314 120.570 0.193 0.000 2.447 285 I HA 0.383 4.553 4.170 0.001 0.000 0.287 285 I C -0.235 175.859 176.117 -0.038 0.000 1.023 285 I CA -1.171 60.177 61.300 0.081 0.000 1.083 285 I CB 0.972 39.048 38.000 0.128 0.000 1.245 285 I HN 0.165 nan 8.210 nan 0.000 0.434 286 V N 2.837 122.682 119.914 -0.114 0.000 3.074 286 V HA 0.755 4.875 4.120 0.001 0.000 0.314 286 V C -0.959 175.086 176.094 -0.082 0.000 1.117 286 V CA -0.474 61.705 62.300 -0.201 0.000 1.014 286 V CB 2.045 33.653 31.823 -0.359 0.000 1.057 286 V HN 0.899 nan 8.190 nan 0.000 0.438 287 Q N 0.877 120.711 119.800 0.056 0.000 2.438 287 Q HA 0.693 5.033 4.340 0.001 0.000 0.272 287 Q C -1.058 175.037 176.000 0.158 0.000 0.994 287 Q CA -0.122 55.763 55.803 0.137 0.000 0.887 287 Q CB 2.196 30.937 28.738 0.005 0.000 1.432 287 Q HN 1.389 nan 8.270 nan 0.000 0.392 288 A N 2.921 125.843 122.820 0.171 0.000 2.965 288 A HA 0.299 4.619 4.320 0.001 0.000 0.304 288 A C 0.251 177.953 177.584 0.197 0.000 1.214 288 A CA 0.741 52.812 52.037 0.057 0.000 0.977 288 A CB -0.633 18.333 19.000 -0.058 0.000 1.127 288 A HN 1.121 nan 8.150 nan 0.000 0.572 289 H N 0.357 119.426 119.070 -0.002 0.000 1.456 289 H HA -0.301 4.256 4.556 0.001 0.000 0.090 289 H C 0.334 175.640 175.328 -0.036 0.000 0.611 289 H CA 2.110 58.154 56.048 -0.006 0.000 1.901 289 H CB -0.841 28.978 29.762 0.096 0.000 2.256 289 H HN 0.726 nan 8.280 nan 0.000 0.961 290 E N -1.236 118.930 120.200 -0.057 0.000 2.417 290 E HA 0.101 4.452 4.350 0.001 0.000 0.280 290 E C -0.869 175.563 176.600 -0.281 0.000 1.112 290 E CA -0.192 56.080 56.400 -0.213 0.000 0.863 290 E CB 0.412 29.757 29.700 -0.592 0.000 1.346 290 E HN 0.494 nan 8.360 nan 0.000 0.443 291 W N 0.203 121.311 121.300 -0.319 0.000 4.650 291 W HA -0.209 4.452 4.660 0.001 0.000 0.335 291 W C 1.083 177.239 176.519 -0.604 0.000 1.222 291 W CA 2.069 59.021 57.345 -0.655 0.000 0.807 291 W CB -2.400 26.266 29.460 -1.323 0.000 2.290 291 W HN 1.647 nan 8.180 nan 0.000 1.514 292 G N -1.185 107.588 108.800 -0.045 0.000 2.143 292 G HA2 -0.423 3.537 3.960 0.001 0.000 0.248 292 G HA3 -0.423 3.537 3.960 0.001 0.000 0.248 292 G C 1.323 176.163 174.900 -0.100 0.000 0.991 292 G CA 0.739 45.849 45.100 0.017 0.000 0.689 292 G HN 0.426 nan 8.290 nan 0.000 0.522 293 K N -1.482 118.761 120.400 -0.263 0.000 2.147 293 K HA 0.078 4.399 4.320 0.001 0.000 0.205 293 K C 0.452 176.775 176.600 -0.462 0.000 1.049 293 K CA 1.196 57.261 56.287 -0.369 0.000 0.936 293 K CB 0.026 32.178 32.500 -0.581 0.000 0.722 293 K HN 0.589 nan 8.250 nan 0.000 0.446 294 Y N -1.575 118.712 120.300 -0.023 0.000 2.581 294 Y HA 0.375 4.925 4.550 0.001 0.000 0.345 294 Y C -0.636 175.214 175.900 -0.083 0.000 1.036 294 Y CA -1.326 56.750 58.100 -0.040 0.000 1.042 294 Y CB 1.682 40.108 38.460 -0.057 0.000 1.289 294 Y HN -0.449 nan 8.280 nan 0.000 0.471 295 V N 1.898 121.850 119.914 0.064 0.000 2.378 295 V HA 0.604 4.725 4.120 0.001 0.000 0.288 295 V C 0.281 176.253 176.094 -0.203 0.000 1.016 295 V CA -0.812 61.439 62.300 -0.081 0.000 0.840 295 V CB 1.257 33.034 31.823 -0.076 0.000 0.994 295 V HN 0.942 nan 8.190 nan 0.000 0.431 296 G N 3.835 112.353 108.800 -0.469 0.000 2.467 296 G HA2 0.503 4.464 3.960 0.001 0.000 0.257 296 G HA3 0.503 4.464 3.960 0.001 0.000 0.257 296 G C -0.266 174.446 174.900 -0.313 0.000 1.227 296 G CA -0.391 44.385 45.100 -0.540 0.000 0.835 296 G HN 0.690 nan 8.290 nan 0.000 0.556 297 R N 1.373 121.621 120.500 -0.420 0.000 2.468 297 R HA 0.542 4.882 4.340 0.001 0.000 0.302 297 R C -0.624 175.503 176.300 -0.288 0.000 1.041 297 R CA -0.606 55.339 56.100 -0.258 0.000 0.899 297 R CB 1.038 31.191 30.300 -0.246 0.000 1.167 297 R HN 0.586 nan 8.270 nan 0.000 0.483 298 A N 4.299 127.137 122.820 0.030 0.000 2.253 298 A HA 0.330 4.650 4.320 0.001 0.000 0.316 298 A C -0.955 176.580 177.584 -0.082 0.000 1.327 298 A CA -0.710 51.355 52.037 0.047 0.000 0.917 298 A CB 0.659 19.780 19.000 0.201 0.000 1.162 298 A HN 0.716 nan 8.150 nan 0.000 0.535 299 D N 2.492 122.759 120.400 -0.223 0.000 2.317 299 D HA 0.477 5.118 4.640 0.001 0.000 0.234 299 D C -0.799 175.347 176.300 -0.256 0.000 1.112 299 D CA 0.610 54.528 54.000 -0.138 0.000 0.840 299 D CB 0.890 41.623 40.800 -0.111 0.000 1.078 299 D HN 0.354 nan 8.370 nan 0.000 0.486 300 F N 0.742 120.687 119.950 -0.009 0.000 2.541 300 F HA 0.346 4.873 4.527 0.001 0.000 0.331 300 F C 0.915 176.750 175.800 0.058 0.000 1.057 300 F CA -0.705 57.306 58.000 0.019 0.000 0.975 300 F CB 1.733 40.755 39.000 0.037 0.000 1.246 300 F HN 0.019 nan 8.300 nan 0.000 0.484 301 E N 1.406 121.794 120.200 0.313 0.000 2.246 301 E HA 0.267 4.617 4.350 0.001 0.000 0.266 301 E C -1.805 174.969 176.600 0.289 0.000 0.880 301 E CA -0.733 55.811 56.400 0.240 0.000 0.762 301 E CB 2.798 32.579 29.700 0.134 0.000 1.180 301 E HN 0.379 nan 8.360 nan 0.000 0.416 302 F N 3.169 123.194 119.950 0.125 0.000 2.458 302 F HA 0.528 5.056 4.527 0.001 0.000 0.336 302 F C -0.651 175.185 175.800 0.059 0.000 1.114 302 F CA -0.622 57.399 58.000 0.035 0.000 0.987 302 F CB 1.077 40.030 39.000 -0.078 0.000 1.130 302 F HN 0.328 nan 8.300 nan 0.000 0.458 303 R N 5.105 125.165 120.500 -0.734 0.000 2.518 303 R HA 0.250 4.591 4.340 0.001 0.000 0.287 303 R C -0.948 174.928 176.300 -0.706 0.000 1.135 303 R CA -0.496 55.286 56.100 -0.530 0.000 0.967 303 R CB 0.601 30.793 30.300 -0.181 0.000 1.212 303 R HN 0.814 nan 8.270 nan 0.000 0.422 304 N N 2.977 121.245 118.700 -0.719 0.000 2.714 304 N HA -0.216 4.524 4.740 0.001 0.000 0.252 304 N C 0.668 175.879 175.510 -0.499 0.000 1.014 304 N CA 1.854 54.658 53.050 -0.411 0.000 0.735 304 N CB -1.038 37.400 38.487 -0.082 0.000 0.924 304 N HN 1.116 nan 8.380 nan 0.000 0.540 305 G N -0.829 107.344 108.800 -1.045 0.000 2.245 305 G HA2 -0.383 3.578 3.960 0.001 0.000 0.264 305 G HA3 -0.383 3.578 3.960 0.001 0.000 0.264 305 G C -0.100 174.651 174.900 -0.249 0.000 0.985 305 G CA 0.759 45.625 45.100 -0.390 0.000 0.625 305 G HN 0.693 nan 8.290 nan 0.000 0.536 306 E N 0.086 120.049 120.200 -0.394 0.000 2.229 306 E HA 0.606 4.956 4.350 0.001 0.000 0.283 306 E C -0.017 176.538 176.600 -0.075 0.000 1.030 306 E CA -0.779 55.533 56.400 -0.145 0.000 0.836 306 E CB 0.393 30.026 29.700 -0.112 0.000 1.068 306 E HN 0.254 nan 8.360 nan 0.000 0.401 307 M N 4.851 124.533 119.600 0.136 0.000 2.101 307 M HA 0.319 4.800 4.480 0.001 0.000 0.340 307 M C -1.414 175.097 176.300 0.353 0.000 1.057 307 M CA -0.111 55.362 55.300 0.288 0.000 0.984 307 M CB 0.852 33.598 32.600 0.243 0.000 1.560 307 M HN 0.225 nan 8.290 nan 0.000 0.435 308 K N 4.754 125.375 120.400 0.369 0.000 2.292 308 K HA 0.461 4.782 4.320 0.001 0.000 0.257 308 K C -1.229 175.517 176.600 0.244 0.000 0.940 308 K CA -0.590 55.883 56.287 0.311 0.000 0.811 308 K CB 2.139 34.736 32.500 0.162 0.000 1.120 308 K HN 0.788 nan 8.250 nan 0.000 0.428 309 M N 5.047 124.649 119.600 0.003 0.000 2.094 309 M HA 0.052 4.533 4.480 0.001 0.000 0.348 309 M C 0.626 176.716 176.300 -0.350 0.000 1.267 309 M CA -0.310 54.579 55.300 -0.685 0.000 1.125 309 M CB 0.681 32.507 32.600 -1.292 0.000 1.527 309 M HN 0.553 nan 8.290 nan 0.000 0.447 310 V N 2.017 121.775 119.914 -0.260 0.000 3.406 310 V HA 0.365 4.486 4.120 0.001 0.000 0.263 310 V C 0.175 176.174 176.094 -0.158 0.000 1.172 310 V CA 0.404 62.620 62.300 -0.141 0.000 1.140 310 V CB -0.652 31.131 31.823 -0.067 0.000 0.784 310 V HN 0.867 nan 8.190 nan 0.000 0.467 311 N N -0.820 117.740 118.700 -0.232 0.000 2.636 311 N HA 0.437 5.177 4.740 0.001 0.000 0.261 311 N C -2.210 173.180 175.510 -0.200 0.000 1.195 311 N CA -0.323 52.619 53.050 -0.181 0.000 0.902 311 N CB 2.685 41.089 38.487 -0.138 0.000 1.627 311 N HN 0.307 nan 8.380 nan 0.000 0.491 312 Y N 1.207 121.344 120.300 -0.271 0.000 2.513 312 Y HA 0.441 4.992 4.550 0.001 0.000 0.340 312 Y C -1.455 174.342 175.900 -0.171 0.000 1.055 312 Y CA -0.372 57.570 58.100 -0.264 0.000 1.020 312 Y CB 1.499 39.749 38.460 -0.350 0.000 1.301 312 Y HN 0.585 nan 8.280 nan 0.000 0.453 313 Q N 4.984 124.112 119.800 -1.120 0.000 2.578 313 Q HA 0.519 4.859 4.340 0.001 0.000 0.284 313 Q C -2.423 173.134 176.000 -0.739 0.000 0.960 313 Q CA -1.109 54.309 55.803 -0.642 0.000 0.809 313 Q CB 2.125 30.673 28.738 -0.317 0.000 1.462 313 Q HN 0.747 nan 8.270 nan 0.000 0.392 314 L N 2.600 123.594 121.223 -0.382 0.000 2.272 314 L HA 0.524 4.865 4.340 0.001 0.000 0.289 314 L C -0.586 176.240 176.870 -0.074 0.000 1.032 314 L CA -0.833 53.822 54.840 -0.309 0.000 0.810 314 L CB 1.154 42.900 42.059 -0.523 0.000 1.205 314 L HN 0.582 nan 8.230 nan 0.000 0.422 315 I N 5.689 126.249 120.570 -0.016 0.000 2.312 315 I HA 0.250 4.421 4.170 0.001 0.000 0.291 315 I C -2.107 174.117 176.117 0.178 0.000 1.031 315 I CA -1.954 59.376 61.300 0.051 0.000 1.293 315 I CB 1.145 39.130 38.000 -0.025 0.000 1.403 315 I HN 0.274 nan 8.210 nan 0.000 0.484 316 P HA 0.055 nan 4.420 nan 0.000 0.271 316 P C -0.461 176.846 177.300 0.012 0.000 1.216 316 P CA -0.164 62.970 63.100 0.057 0.000 0.771 316 P CB 0.742 32.459 31.700 0.030 0.000 0.864 317 V N 4.711 124.607 119.914 -0.030 0.000 2.247 317 V HA 0.140 4.260 4.120 0.001 0.000 0.262 317 V C 0.374 176.485 176.094 0.029 0.000 1.096 317 V CA -0.345 61.966 62.300 0.018 0.000 0.895 317 V CB -0.912 30.941 31.823 0.050 0.000 1.141 317 V HN 0.657 nan 8.190 nan 0.000 0.478 318 N N 2.238 120.952 118.700 0.023 0.000 2.735 318 N HA -0.176 4.564 4.740 0.001 0.000 0.248 318 N C -0.135 175.396 175.510 0.034 0.000 1.083 318 N CA 0.690 53.751 53.050 0.018 0.000 0.703 318 N CB -0.892 37.583 38.487 -0.020 0.000 1.005 318 N HN 0.586 nan 8.380 nan 0.000 0.550 319 L N -0.118 121.155 121.223 0.083 0.000 2.439 319 L HA 0.216 4.557 4.340 0.001 0.000 0.269 319 L C 0.958 177.972 176.870 0.239 0.000 1.179 319 L CA 0.328 55.258 54.840 0.150 0.000 0.828 319 L CB 0.576 42.701 42.059 0.110 0.000 1.106 319 L HN -0.027 nan 8.230 nan 0.000 0.467 320 K N 2.071 122.556 120.400 0.142 0.000 2.385 320 K HA 0.489 4.810 4.320 0.001 0.000 0.248 320 K C -1.194 175.280 176.600 -0.211 0.000 0.955 320 K CA -0.999 55.232 56.287 -0.094 0.000 0.816 320 K CB 2.709 35.151 32.500 -0.097 0.000 1.250 320 K HN 0.465 nan 8.250 nan 0.000 0.434 321 K N 0.889 120.968 120.400 -0.536 0.000 2.221 321 K HA 0.429 4.749 4.320 0.001 0.000 0.243 321 K C -0.912 175.509 176.600 -0.300 0.000 0.968 321 K CA -1.066 54.960 56.287 -0.436 0.000 0.846 321 K CB 2.043 34.130 32.500 -0.687 0.000 1.141 321 K HN 0.275 nan 8.250 nan 0.000 0.434 322 K N 1.502 121.770 120.400 -0.220 0.000 2.143 322 K HA 0.298 4.618 4.320 0.001 0.000 0.272 322 K C -0.762 175.717 176.600 -0.202 0.000 1.001 322 K CA -0.791 55.377 56.287 -0.199 0.000 0.915 322 K CB 1.359 33.759 32.500 -0.166 0.000 1.047 322 K HN 0.610 nan 8.250 nan 0.000 0.458 323 V N -0.383 119.401 119.914 -0.216 0.000 2.962 323 V HA 0.638 4.759 4.120 0.001 0.000 0.313 323 V C -0.798 175.117 176.094 -0.298 0.000 1.099 323 V CA -0.704 61.421 62.300 -0.290 0.000 0.971 323 V CB 1.892 33.477 31.823 -0.397 0.000 1.028 323 V HN 0.730 nan 8.190 nan 0.000 0.430 324 T N 2.786 117.135 114.554 -0.342 0.000 2.881 324 T HA 0.572 4.922 4.350 0.001 0.000 0.290 324 T C -1.065 173.460 174.700 -0.292 0.000 1.000 324 T CA -0.082 61.877 62.100 -0.236 0.000 0.978 324 T CB 1.141 69.947 68.868 -0.103 0.000 0.997 324 T HN 0.758 nan 8.240 nan 0.000 0.443 325 W N 2.089 123.371 121.300 -0.030 0.000 2.359 325 W HA 0.350 5.010 4.660 0.001 0.000 0.344 325 W C 1.849 178.356 176.519 -0.020 0.000 1.170 325 W CA -0.933 56.397 57.345 -0.025 0.000 1.296 325 W CB 0.553 29.999 29.460 -0.024 0.000 1.197 325 W HN 0.865 nan 8.180 nan 0.000 0.618 326 E N 0.506 120.843 120.200 0.227 0.000 2.095 326 E HA -0.362 3.988 4.350 0.001 0.000 0.212 326 E C 1.023 177.685 176.600 0.102 0.000 1.044 326 E CA 2.011 58.484 56.400 0.122 0.000 0.857 326 E CB -0.788 28.974 29.700 0.103 0.000 0.764 326 E HN 0.596 nan 8.360 nan 0.000 0.462 327 D N 0.564 121.030 120.400 0.111 0.000 2.413 327 D HA -0.019 4.621 4.640 0.001 0.000 0.262 327 D C 1.136 177.480 176.300 0.074 0.000 1.254 327 D CA 0.826 54.868 54.000 0.070 0.000 0.942 327 D CB -0.251 40.573 40.800 0.040 0.000 0.937 327 D HN 0.556 nan 8.370 nan 0.000 0.508 328 G N 0.683 109.535 108.800 0.086 0.000 2.175 328 G HA2 -0.387 3.574 3.960 0.001 0.000 0.265 328 G HA3 -0.387 3.574 3.960 0.001 0.000 0.265 328 G C 0.391 175.347 174.900 0.094 0.000 0.979 328 G CA 0.557 45.699 45.100 0.071 0.000 0.663 328 G HN 0.643 nan 8.290 nan 0.000 0.533 329 K N 0.886 121.380 120.400 0.157 0.000 2.401 329 K HA 0.593 4.914 4.320 0.001 0.000 0.278 329 K C 0.013 176.759 176.600 0.243 0.000 1.018 329 K CA 0.300 56.707 56.287 0.199 0.000 0.981 329 K CB 0.722 33.358 32.500 0.227 0.000 0.933 329 K HN 0.082 nan 8.250 nan 0.000 0.477 330 S N 2.657 118.453 115.700 0.160 0.000 2.538 330 S HA 0.440 4.910 4.470 0.001 0.000 0.288 330 S C -1.786 172.864 174.600 0.084 0.000 1.108 330 S CA -0.857 57.394 58.200 0.085 0.000 0.971 330 S CB 0.878 64.088 63.200 0.016 0.000 1.041 330 S HN 0.741 nan 8.310 nan 0.000 0.483 331 E N 2.192 122.420 120.200 0.046 0.000 2.412 331 E HA 0.507 4.858 4.350 0.001 0.000 0.279 331 E C -1.357 175.207 176.600 -0.059 0.000 0.984 331 E CA -1.251 55.169 56.400 0.033 0.000 0.788 331 E CB 1.142 30.924 29.700 0.136 0.000 1.277 331 E HN 0.293 nan 8.360 nan 0.000 0.455 332 R N 1.166 121.617 120.500 -0.083 0.000 2.297 332 R HA 0.495 4.836 4.340 0.001 0.000 0.308 332 R C -0.691 175.541 176.300 -0.113 0.000 1.029 332 R CA -0.828 55.185 56.100 -0.144 0.000 0.929 332 R CB 1.599 31.793 30.300 -0.177 0.000 1.046 332 R HN 0.380 nan 8.270 nan 0.000 0.461 333 V N 4.719 124.529 119.914 -0.172 0.000 2.555 333 V HA 0.313 4.434 4.120 0.001 0.000 0.302 333 V C 0.541 176.502 176.094 -0.221 0.000 1.038 333 V CA -0.940 61.263 62.300 -0.162 0.000 0.887 333 V CB 2.046 33.762 31.823 -0.178 0.000 0.991 333 V HN 0.587 nan 8.190 nan 0.000 0.434 334 L N 3.591 124.734 121.223 -0.132 0.000 2.485 334 L HA 0.115 4.455 4.340 0.001 0.000 0.275 334 L C 0.857 177.658 176.870 -0.116 0.000 1.207 334 L CA 0.243 55.028 54.840 -0.091 0.000 0.855 334 L CB 0.236 42.282 42.059 -0.022 0.000 1.114 334 L HN 0.679 nan 8.230 nan 0.000 0.485 335 Y N 0.477 120.758 120.300 -0.031 0.000 2.314 335 Y HA -0.091 4.459 4.550 0.001 0.000 0.293 335 Y C 1.514 177.402 175.900 -0.021 0.000 1.129 335 Y CA 0.915 58.998 58.100 -0.029 0.000 1.201 335 Y CB 0.082 38.530 38.460 -0.020 0.000 0.999 335 Y HN 0.697 nan 8.280 nan 0.000 0.541 336 T N -3.837 110.804 114.554 0.145 0.000 2.865 336 T HA 0.494 4.844 4.350 0.001 0.000 0.294 336 T C -2.963 171.761 174.700 0.040 0.000 1.119 336 T CA -2.526 59.620 62.100 0.077 0.000 1.007 336 T CB 1.823 70.734 68.868 0.072 0.000 1.225 336 T HN -0.402 nan 8.240 nan 0.000 0.515 337 P HA 0.135 nan 4.420 nan 0.000 0.264 337 P C -0.163 177.142 177.300 0.008 0.000 1.183 337 P CA -0.045 63.061 63.100 0.010 0.000 0.763 337 P CB 0.229 31.932 31.700 0.005 0.000 0.807 338 E N 2.577 122.778 120.200 0.001 0.000 2.465 338 E HA 0.016 4.367 4.350 0.001 0.000 0.260 338 E C -0.476 176.119 176.600 -0.008 0.000 0.980 338 E CA -0.040 56.358 56.400 -0.004 0.000 0.927 338 E CB 0.165 29.859 29.700 -0.010 0.000 0.934 338 E HN 0.328 nan 8.360 nan 0.000 0.459 339 I N 4.033 124.596 120.570 -0.011 0.000 2.315 339 I HA 0.237 4.407 4.170 0.001 0.000 0.291 339 I C 0.450 176.552 176.117 -0.025 0.000 1.006 339 I CA -0.600 60.691 61.300 -0.015 0.000 1.265 339 I CB 1.358 39.350 38.000 -0.013 0.000 1.387 339 I HN 0.543 nan 8.210 nan 0.000 0.475 340 A N 6.321 129.126 122.820 -0.024 0.000 2.445 340 A HA 0.191 4.511 4.320 0.001 0.000 0.242 340 A C 0.182 177.742 177.584 -0.041 0.000 1.075 340 A CA -0.253 51.766 52.037 -0.030 0.000 0.777 340 A CB 0.127 19.114 19.000 -0.021 0.000 1.013 340 A HN 0.736 nan 8.150 nan 0.000 0.493 341 E N 1.771 121.937 120.200 -0.057 0.000 2.259 341 E HA 0.025 4.375 4.350 0.001 0.000 0.281 341 E C -0.141 176.429 176.600 -0.049 0.000 1.037 341 E CA -0.449 55.905 56.400 -0.076 0.000 0.854 341 E CB 0.672 30.293 29.700 -0.132 0.000 1.051 341 E HN 0.682 nan 8.360 nan 0.000 0.409 342 N N 3.030 121.708 118.700 -0.036 0.000 2.447 342 N HA -0.100 4.641 4.740 0.001 0.000 0.263 342 N C 0.591 176.097 175.510 -0.006 0.000 1.226 342 N CA 0.458 53.500 53.050 -0.014 0.000 0.906 342 N CB 0.802 39.287 38.487 -0.003 0.000 1.060 342 N HN 0.524 nan 8.380 nan 0.000 0.468 343 Q N 2.206 122.008 119.800 0.004 0.000 2.119 343 Q HA -0.223 4.118 4.340 0.001 0.000 0.201 343 Q C 1.788 177.807 176.000 0.031 0.000 0.972 343 Q CA 1.372 57.184 55.803 0.016 0.000 0.847 343 Q CB -0.003 28.745 28.738 0.017 0.000 0.903 343 Q HN 0.733 nan 8.270 nan 0.000 0.433 344 Q N 0.336 120.154 119.800 0.030 0.000 2.084 344 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 344 Q C 2.047 178.081 176.000 0.057 0.000 0.978 344 Q CA 1.466 57.294 55.803 0.041 0.000 0.844 344 Q CB -0.001 28.759 28.738 0.037 0.000 0.898 344 Q HN 0.284 nan 8.270 nan 0.000 0.426 345 M N 0.101 119.732 119.600 0.052 0.000 2.132 345 M HA -0.118 4.362 4.480 0.001 0.000 0.263 345 M C 1.640 178.002 176.300 0.102 0.000 1.065 345 M CA 1.250 56.594 55.300 0.073 0.000 1.122 345 M CB -0.127 32.503 32.600 0.050 0.000 1.365 345 M HN 0.264 nan 8.290 nan 0.000 0.411 346 I N -0.684 119.927 120.570 0.068 0.000 2.286 346 I HA -0.231 3.940 4.170 0.001 0.000 0.248 346 I C 2.503 178.734 176.117 0.190 0.000 1.115 346 I CA 1.451 62.822 61.300 0.118 0.000 1.392 346 I CB -1.711 36.324 38.000 0.059 0.000 1.065 346 I HN 0.410 nan 8.210 nan 0.000 0.418 347 S N 0.788 116.560 115.700 0.120 0.000 2.382 347 S HA -0.166 4.304 4.470 0.001 0.000 0.228 347 S C 1.995 176.656 174.600 0.102 0.000 1.027 347 S CA 1.144 59.403 58.200 0.098 0.000 0.991 347 S CB -0.240 62.996 63.200 0.061 0.000 0.823 347 S HN 0.366 nan 8.310 nan 0.000 0.469 348 L N 1.156 122.455 121.223 0.127 0.000 2.072 348 L HA 0.210 4.550 4.340 0.001 0.000 0.205 348 L C 1.938 178.954 176.870 0.244 0.000 1.079 348 L CA 1.713 56.641 54.840 0.147 0.000 0.752 348 L CB -0.455 41.689 42.059 0.142 0.000 0.906 348 L HN 0.367 nan 8.230 nan 0.000 0.436 349 L N -0.877 120.544 121.223 0.330 0.000 2.307 349 L HA -0.006 4.335 4.340 0.001 0.000 0.211 349 L C 2.583 179.742 176.870 0.481 0.000 1.099 349 L CA 0.850 55.991 54.840 0.503 0.000 0.816 349 L CB -0.704 41.769 42.059 0.689 0.000 0.952 349 L HN 0.408 nan 8.230 nan 0.000 0.455 350 S N 0.145 116.088 115.700 0.405 0.000 2.400 350 S HA -0.079 4.392 4.470 0.001 0.000 0.232 350 S C -0.530 174.051 174.600 -0.031 0.000 1.025 350 S CA 0.799 59.106 58.200 0.178 0.000 0.993 350 S CB -1.631 61.705 63.200 0.226 0.000 0.808 350 S HN 0.229 nan 8.310 nan 0.000 0.478 351 P HA 0.028 nan 4.420 nan 0.000 0.216 351 P C 0.957 178.074 177.300 -0.305 0.000 1.153 351 P CA 0.903 63.843 63.100 -0.266 0.000 0.848 351 P CB -0.207 31.232 31.700 -0.435 0.000 0.787 352 F N -0.479 119.401 119.950 -0.116 0.000 2.186 352 F HA -0.145 4.383 4.527 0.001 0.000 0.299 352 F C 2.670 178.413 175.800 -0.094 0.000 1.090 352 F CA 1.250 59.152 58.000 -0.163 0.000 1.307 352 F CB -1.304 37.480 39.000 -0.360 0.000 1.019 352 F HN -0.092 nan 8.300 nan 0.000 0.489 353 Q N 0.926 120.775 119.800 0.081 0.000 2.020 353 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 353 Q C 1.926 177.803 176.000 -0.204 0.000 0.982 353 Q CA 1.931 57.645 55.803 -0.148 0.000 0.838 353 Q CB -0.469 27.778 28.738 -0.817 0.000 0.899 353 Q HN 0.201 nan 8.270 nan 0.000 0.423 354 N N 0.284 118.866 118.700 -0.196 0.000 2.120 354 N HA -0.169 4.572 4.740 0.001 0.000 0.188 354 N C 1.462 176.914 175.510 -0.097 0.000 1.024 354 N CA 1.454 54.416 53.050 -0.147 0.000 0.852 354 N CB -0.304 38.111 38.487 -0.119 0.000 1.003 354 N HN 0.358 nan 8.380 nan 0.000 0.424 355 K N 0.524 120.877 120.400 -0.080 0.000 2.026 355 K HA -0.066 4.254 4.320 0.001 0.000 0.208 355 K C 2.049 178.635 176.600 -0.024 0.000 1.048 355 K CA 1.479 57.736 56.287 -0.049 0.000 0.929 355 K CB -0.394 32.075 32.500 -0.050 0.000 0.713 355 K HN 0.140 nan 8.250 nan 0.000 0.439 356 G N 1.198 109.993 108.800 -0.008 0.000 2.418 356 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 356 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 356 G C 1.347 176.219 174.900 -0.048 0.000 1.158 356 G CA 0.742 45.837 45.100 -0.008 0.000 0.771 356 G HN 0.272 nan 8.290 nan 0.000 0.545 357 K N 0.427 120.780 120.400 -0.078 0.000 2.057 357 K HA 0.057 4.377 4.320 0.001 0.000 0.206 357 K C 2.961 179.530 176.600 -0.053 0.000 1.050 357 K CA 0.938 57.172 56.287 -0.089 0.000 0.935 357 K CB -0.208 32.215 32.500 -0.128 0.000 0.715 357 K HN 0.262 nan 8.250 nan 0.000 0.439 358 A N 1.177 123.970 122.820 -0.045 0.000 1.933 358 A HA -0.232 4.089 4.320 0.001 0.000 0.218 358 A C 2.044 179.631 177.584 0.005 0.000 1.175 358 A CA 1.474 53.497 52.037 -0.023 0.000 0.628 358 A CB -0.394 18.590 19.000 -0.027 0.000 0.814 358 A HN 0.366 nan 8.150 nan 0.000 0.444 359 Q N -1.501 118.307 119.800 0.012 0.000 2.212 359 Q HA 0.007 4.347 4.340 0.001 0.000 0.199 359 Q C 1.290 177.354 176.000 0.106 0.000 0.950 359 Q CA 0.853 56.689 55.803 0.056 0.000 0.863 359 Q CB 0.038 28.807 28.738 0.051 0.000 0.944 359 Q HN 0.469 nan 8.270 nan 0.000 0.465 360 L N 0.392 121.632 121.223 0.029 0.000 2.470 360 L HA 0.154 4.495 4.340 0.001 0.000 0.219 360 L C 0.304 177.194 176.870 0.033 0.000 1.071 360 L CA 0.967 55.806 54.840 -0.003 0.000 0.850 360 L CB 0.271 42.237 42.059 -0.154 0.000 1.040 360 L HN 0.056 nan 8.230 nan 0.000 0.475 361 E N 0.526 120.730 120.200 0.007 0.000 2.110 361 E HA 0.228 4.578 4.350 0.001 0.000 0.300 361 E C -0.936 175.679 176.600 0.025 0.000 1.278 361 E CA -0.120 56.281 56.400 0.002 0.000 1.365 361 E CB 0.362 30.044 29.700 -0.029 0.000 1.283 361 E HN -0.048 nan 8.360 nan 0.000 0.490 362 V N 2.447 122.399 119.914 0.063 0.000 2.531 362 V HA 0.137 4.258 4.120 0.001 0.000 0.301 362 V C 0.055 176.178 176.094 0.048 0.000 1.034 362 V CA -1.015 61.316 62.300 0.050 0.000 0.865 362 V CB 2.075 33.937 31.823 0.063 0.000 0.995 362 V HN 0.341 nan 8.190 nan 0.000 0.424 363 K N 4.166 124.578 120.400 0.021 0.000 2.412 363 K HA 0.270 4.591 4.320 0.001 0.000 0.281 363 K C 0.737 177.340 176.600 0.006 0.000 1.027 363 K CA -0.003 56.293 56.287 0.016 0.000 0.989 363 K CB 0.561 33.065 32.500 0.005 0.000 0.935 363 K HN 0.785 nan 8.250 nan 0.000 0.475 364 I N 0.271 120.847 120.570 0.009 0.000 4.227 364 I HA 0.416 4.586 4.170 0.001 0.000 0.334 364 I C 0.551 176.659 176.117 -0.016 0.000 1.341 364 I CA -0.409 60.883 61.300 -0.013 0.000 1.123 364 I CB 0.932 38.924 38.000 -0.014 0.000 1.097 364 I HN 0.697 nan 8.210 nan 0.000 0.399 365 G N 1.444 110.241 108.800 -0.005 0.000 2.323 365 G HA2 0.424 4.385 3.960 0.001 0.000 0.291 365 G HA3 0.424 4.385 3.960 0.001 0.000 0.291 365 G C -2.019 172.883 174.900 0.003 0.000 1.278 365 G CA -0.454 44.641 45.100 -0.008 0.000 0.860 365 G HN 0.382 nan 8.290 nan 0.000 0.504 366 E N -1.669 118.535 120.200 0.006 0.000 2.433 366 E HA 0.651 5.001 4.350 0.001 0.000 0.278 366 E C -1.438 175.177 176.600 0.024 0.000 0.976 366 E CA -0.974 55.435 56.400 0.015 0.000 0.793 366 E CB 2.398 32.105 29.700 0.013 0.000 1.311 366 E HN 0.622 nan 8.360 nan 0.000 0.460 367 T N 0.099 114.672 114.554 0.032 0.000 2.912 367 T HA 0.209 4.559 4.350 0.001 0.000 0.299 367 T C -0.070 174.659 174.700 0.048 0.000 1.052 367 T CA -0.608 61.521 62.100 0.048 0.000 0.996 367 T CB 1.000 69.897 68.868 0.048 0.000 1.070 367 T HN 0.608 nan 8.240 nan 0.000 0.465 368 N N 2.606 121.341 118.700 0.059 0.000 2.467 368 N HA 0.251 4.991 4.740 0.001 0.000 0.184 368 N C 0.586 176.128 175.510 0.053 0.000 1.106 368 N CA 0.189 53.269 53.050 0.050 0.000 0.892 368 N CB 0.252 38.768 38.487 0.049 0.000 0.969 368 N HN 0.756 nan 8.380 nan 0.000 0.454 369 G N -0.682 108.156 108.800 0.063 0.000 2.692 369 G HA2 0.442 4.402 3.960 0.001 0.000 0.291 369 G HA3 0.442 4.402 3.960 0.001 0.000 0.291 369 G C -1.586 173.351 174.900 0.061 0.000 1.423 369 G CA -1.158 43.980 45.100 0.062 0.000 0.843 369 G HN 0.283 nan 8.290 nan 0.000 0.486 370 R N 0.064 120.598 120.500 0.057 0.000 2.489 370 R HA 0.326 4.666 4.340 0.001 0.000 0.287 370 R C -0.570 175.767 176.300 0.062 0.000 1.053 370 R CA -0.127 56.006 56.100 0.054 0.000 1.036 370 R CB 0.152 30.484 30.300 0.052 0.000 0.966 370 R HN 0.313 nan 8.270 nan 0.000 0.432 371 L N 4.222 125.477 121.223 0.052 0.000 2.264 371 L HA 0.229 4.570 4.340 0.001 0.000 0.287 371 L C -0.176 176.728 176.870 0.056 0.000 1.039 371 L CA -0.624 54.246 54.840 0.051 0.000 0.829 371 L CB 1.414 43.487 42.059 0.023 0.000 1.211 371 L HN 0.642 nan 8.230 nan 0.000 0.427 372 E N 2.317 122.560 120.200 0.071 0.000 2.159 372 E HA 0.195 4.546 4.350 0.001 0.000 0.272 372 E C 0.808 177.459 176.600 0.085 0.000 1.138 372 E CA 0.178 56.625 56.400 0.078 0.000 0.915 372 E CB 0.863 30.616 29.700 0.089 0.000 1.028 372 E HN 0.615 nan 8.360 nan 0.000 0.423 373 G N 3.947 112.795 108.800 0.079 0.000 3.695 373 G HA2 0.033 3.994 3.960 0.001 0.000 0.277 373 G HA3 0.033 3.994 3.960 0.001 0.000 0.277 373 G C -0.388 174.569 174.900 0.094 0.000 1.001 373 G CA -0.485 44.665 45.100 0.084 0.000 0.837 373 G HN 0.436 nan 8.290 nan 0.000 0.492 374 D N 0.504 120.961 120.400 0.095 0.000 2.443 374 D HA 0.055 4.696 4.640 0.001 0.000 0.239 374 D C 1.469 177.845 176.300 0.128 0.000 1.136 374 D CA -0.205 53.856 54.000 0.102 0.000 0.879 374 D CB 1.360 42.212 40.800 0.087 0.000 1.195 374 D HN 0.073 nan 8.370 nan 0.000 0.443 375 R N 1.671 122.253 120.500 0.136 0.000 2.091 375 R HA -0.179 4.162 4.340 0.001 0.000 0.238 375 R C 1.107 177.557 176.300 0.249 0.000 1.136 375 R CA 1.597 57.799 56.100 0.170 0.000 0.959 375 R CB -0.024 30.369 30.300 0.157 0.000 0.856 375 R HN 0.533 nan 8.270 nan 0.000 0.437 376 D N -0.260 120.252 120.400 0.186 0.000 2.378 376 D HA -0.146 4.495 4.640 0.001 0.000 0.222 376 D C 0.892 177.266 176.300 0.123 0.000 0.980 376 D CA 0.949 55.018 54.000 0.115 0.000 0.907 376 D CB 0.155 40.920 40.800 -0.058 0.000 0.899 376 D HN 0.184 nan 8.370 nan 0.000 0.527 377 K N 0.165 120.687 120.400 0.203 0.000 2.312 377 K HA 0.073 4.394 4.320 0.001 0.000 0.206 377 K C 2.329 179.067 176.600 0.231 0.000 1.121 377 K CA 0.992 57.391 56.287 0.186 0.000 0.923 377 K CB -0.531 32.042 32.500 0.121 0.000 1.162 377 K HN 0.187 nan 8.250 nan 0.000 0.478 378 V N 0.266 120.304 119.914 0.207 0.000 2.867 378 V HA -0.041 4.079 4.120 0.001 0.000 0.260 378 V C 1.492 177.714 176.094 0.214 0.000 1.099 378 V CA 1.281 63.709 62.300 0.213 0.000 1.122 378 V CB -0.695 31.234 31.823 0.177 0.000 0.708 378 V HN 0.146 nan 8.190 nan 0.000 0.490 379 R N -1.589 118.968 120.500 0.095 0.000 2.427 379 R HA 0.403 4.744 4.340 0.001 0.000 0.262 379 R C 0.822 176.541 176.300 -0.968 0.000 0.943 379 R CA 0.290 56.263 56.100 -0.213 0.000 1.081 379 R CB 0.125 30.272 30.300 -0.255 0.000 1.166 379 R HN 0.597 nan 8.270 nan 0.000 0.534 380 F N -0.907 118.695 119.950 -0.580 0.000 2.671 380 F HA 0.125 4.652 4.527 0.001 0.000 0.303 380 F C 0.603 175.962 175.800 -0.734 0.000 0.935 380 F CA -0.473 57.093 58.000 -0.723 0.000 1.136 380 F CB 0.814 39.636 39.000 -0.296 0.000 0.929 380 F HN -0.259 nan 8.300 nan 0.000 0.659 381 V N -2.468 117.391 119.914 -0.092 0.000 3.181 381 V HA 0.542 4.663 4.120 0.001 0.000 0.308 381 V C -0.937 175.420 176.094 0.438 0.000 1.214 381 V CA -1.217 61.222 62.300 0.231 0.000 1.053 381 V CB 1.450 33.391 31.823 0.197 0.000 1.069 381 V HN -0.135 nan 8.190 nan 0.000 0.441 382 Q N 2.040 122.114 119.800 0.457 0.000 2.337 382 Q HA 0.489 4.829 4.340 0.001 0.000 0.270 382 Q C 0.282 176.439 176.000 0.263 0.000 1.002 382 Q CA 0.607 56.634 55.803 0.374 0.000 0.888 382 Q CB 1.141 30.076 28.738 0.329 0.000 1.222 382 Q HN 1.172 nan 8.270 nan 0.000 0.400 383 T N -1.727 112.963 114.554 0.227 0.000 2.901 383 T HA 0.304 4.654 4.350 0.001 0.000 0.293 383 T C 0.860 175.658 174.700 0.162 0.000 1.084 383 T CA -0.779 61.428 62.100 0.177 0.000 1.008 383 T CB 0.833 69.797 68.868 0.160 0.000 1.170 383 T HN 0.488 nan 8.240 nan 0.000 0.509 384 N N 0.967 119.756 118.700 0.149 0.000 2.453 384 N HA -0.087 4.653 4.740 0.001 0.000 0.183 384 N C 1.478 177.051 175.510 0.105 0.000 1.041 384 N CA 0.998 54.146 53.050 0.164 0.000 0.900 384 N CB -0.711 37.884 38.487 0.181 0.000 0.961 384 N HN 0.596 nan 8.380 nan 0.000 0.443 385 M N 0.758 120.406 119.600 0.080 0.000 2.156 385 M HA 0.224 4.705 4.480 0.001 0.000 0.264 385 M C 1.935 178.260 176.300 0.041 0.000 1.067 385 M CA 1.465 56.787 55.300 0.036 0.000 1.131 385 M CB -0.837 31.794 32.600 0.051 0.000 1.368 385 M HN 0.167 nan 8.290 nan 0.000 0.416 386 G N 0.310 109.162 108.800 0.087 0.000 2.446 386 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 386 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 386 G C 1.650 176.603 174.900 0.088 0.000 1.168 386 G CA 0.674 45.830 45.100 0.092 0.000 0.771 386 G HN 0.363 nan 8.290 nan 0.000 0.551 387 R N -0.292 120.284 120.500 0.127 0.000 2.115 387 R HA 0.033 4.374 4.340 0.001 0.000 0.230 387 R C 2.445 178.820 176.300 0.125 0.000 1.111 387 R CA 0.736 56.940 56.100 0.173 0.000 0.976 387 R CB -1.022 29.438 30.300 0.267 0.000 0.870 387 R HN 0.451 nan 8.270 nan 0.000 0.445 388 L N 0.934 122.129 121.223 -0.047 0.000 2.005 388 L HA -0.046 4.295 4.340 0.001 0.000 0.207 388 L C 2.134 178.886 176.870 -0.197 0.000 1.072 388 L CA 1.527 56.166 54.840 -0.334 0.000 0.744 388 L CB -0.499 41.287 42.059 -0.455 0.000 0.895 388 L HN 0.016 nan 8.230 nan 0.000 0.433 389 I N -0.855 119.654 120.570 -0.100 0.000 2.179 389 I HA -0.334 3.837 4.170 0.001 0.000 0.242 389 I C 2.390 178.454 176.117 -0.088 0.000 1.088 389 I CA 1.445 62.700 61.300 -0.074 0.000 1.357 389 I CB -0.323 37.668 38.000 -0.014 0.000 1.051 389 I HN 0.272 nan 8.210 nan 0.000 0.409 390 L N 0.309 121.510 121.223 -0.038 0.000 2.141 390 L HA -0.165 4.176 4.340 0.001 0.000 0.209 390 L C 2.826 179.654 176.870 -0.070 0.000 1.094 390 L CA 1.094 55.923 54.840 -0.019 0.000 0.763 390 L CB -0.730 41.359 42.059 0.050 0.000 0.908 390 L HN 0.243 nan 8.230 nan 0.000 0.437 391 A N 0.219 122.979 122.820 -0.100 0.000 1.933 391 A HA -0.152 4.169 4.320 0.001 0.000 0.218 391 A C 2.546 179.796 177.584 -0.556 0.000 1.175 391 A CA 1.666 53.595 52.037 -0.180 0.000 0.628 391 A CB -0.558 18.444 19.000 0.004 0.000 0.814 391 A HN 0.394 nan 8.150 nan 0.000 0.444 392 A N -0.720 121.637 122.820 -0.773 0.000 1.898 392 A HA -0.193 4.127 4.320 0.001 0.000 0.216 392 A C 2.122 179.535 177.584 -0.284 0.000 1.181 392 A CA 1.613 53.174 52.037 -0.794 0.000 0.620 392 A CB -0.519 18.228 19.000 -0.421 0.000 0.819 392 A HN 0.648 nan 8.150 nan 0.000 0.442 393 Q N -0.984 118.716 119.800 -0.167 0.000 2.119 393 Q HA -0.077 4.264 4.340 0.001 0.000 0.201 393 Q C 2.204 178.174 176.000 -0.050 0.000 0.972 393 Q CA 1.557 57.325 55.803 -0.058 0.000 0.847 393 Q CB -0.253 28.473 28.738 -0.021 0.000 0.903 393 Q HN 0.704 nan 8.270 nan 0.000 0.433 394 M N 0.244 119.802 119.600 -0.069 0.000 2.132 394 M HA -0.173 4.307 4.480 0.001 0.000 0.263 394 M C 1.705 177.982 176.300 -0.038 0.000 1.065 394 M CA 1.474 56.750 55.300 -0.041 0.000 1.122 394 M CB -0.302 32.294 32.600 -0.007 0.000 1.365 394 M HN 0.165 nan 8.290 nan 0.000 0.411 395 D N 0.386 120.759 120.400 -0.046 0.000 2.104 395 D HA -0.218 4.422 4.640 0.001 0.000 0.194 395 D C 1.994 178.299 176.300 0.009 0.000 0.994 395 D CA 1.423 55.437 54.000 0.022 0.000 0.830 395 D CB 0.045 40.920 40.800 0.126 0.000 0.959 395 D HN 0.007 nan 8.370 nan 0.000 0.452 396 R N -0.410 120.084 120.500 -0.010 0.000 2.115 396 R HA -0.032 4.308 4.340 0.001 0.000 0.230 396 R C 1.899 178.199 176.300 0.001 0.000 1.111 396 R CA 2.106 58.198 56.100 -0.014 0.000 0.976 396 R CB -0.871 29.421 30.300 -0.014 0.000 0.870 396 R HN 0.372 nan 8.270 nan 0.000 0.445 397 T N -4.360 110.172 114.554 -0.036 0.000 3.069 397 T HA 0.262 4.613 4.350 0.001 0.000 0.252 397 T C 1.220 175.747 174.700 -0.287 0.000 1.053 397 T CA 0.217 62.219 62.100 -0.164 0.000 0.964 397 T CB 0.324 69.103 68.868 -0.149 0.000 1.005 397 T HN 0.328 nan 8.240 nan 0.000 0.532 398 G N 1.575 110.287 108.800 -0.146 0.000 2.179 398 G HA2 -0.078 3.882 3.960 0.001 0.000 0.257 398 G HA3 -0.078 3.882 3.960 0.001 0.000 0.257 398 G C 0.354 175.183 174.900 -0.119 0.000 1.010 398 G CA 0.047 45.074 45.100 -0.122 0.000 0.736 398 G HN 1.183 nan 8.290 nan 0.000 0.513 399 A N -0.636 122.116 122.820 -0.112 0.000 2.346 399 A HA 0.590 4.910 4.320 0.001 0.000 0.252 399 A C 1.199 178.814 177.584 0.052 0.000 1.089 399 A CA 0.610 52.614 52.037 -0.056 0.000 0.797 399 A CB 0.434 19.387 19.000 -0.078 0.000 1.047 399 A HN 0.189 nan 8.150 nan 0.000 0.494 400 D N -0.846 119.651 120.400 0.161 0.000 2.277 400 D HA 0.182 4.822 4.640 0.001 0.000 0.209 400 D C 0.050 176.596 176.300 0.411 0.000 0.970 400 D CA 1.386 55.562 54.000 0.294 0.000 0.874 400 D CB 0.129 41.187 40.800 0.431 0.000 0.982 400 D HN 0.528 nan 8.370 nan 0.000 0.504 401 F N -0.441 119.577 119.950 0.114 0.000 2.789 401 F HA 0.743 5.270 4.527 0.001 0.000 0.319 401 F C -1.651 174.226 175.800 0.128 0.000 1.168 401 F CA -1.719 56.355 58.000 0.123 0.000 0.934 401 F CB 1.239 40.321 39.000 0.137 0.000 1.375 401 F HN -0.149 nan 8.300 nan 0.000 0.480 402 A N 0.527 123.418 122.820 0.118 0.000 2.601 402 A HA 0.822 5.142 4.320 0.001 0.000 0.291 402 A C -2.219 175.450 177.584 0.142 0.000 1.075 402 A CA -0.380 51.645 52.037 -0.021 0.000 0.671 402 A CB 1.460 20.463 19.000 0.006 0.000 1.277 402 A HN 1.959 nan 8.150 nan 0.000 0.417 403 V N 1.534 121.499 119.914 0.084 0.000 3.147 403 V HA 0.930 5.050 4.120 0.001 0.000 0.306 403 V C -1.202 174.918 176.094 0.042 0.000 1.209 403 V CA -0.021 62.319 62.300 0.066 0.000 1.023 403 V CB 2.242 34.165 31.823 0.165 0.000 1.059 403 V HN 1.830 nan 8.190 nan 0.000 0.435 404 M N 2.319 121.911 119.600 -0.012 0.000 2.732 404 M HA 0.646 5.127 4.480 0.001 0.000 0.272 404 M C -1.253 175.014 176.300 -0.054 0.000 1.203 404 M CA -0.497 54.782 55.300 -0.035 0.000 0.841 404 M CB 1.910 34.508 32.600 -0.004 0.000 1.685 404 M HN 0.372 nan 8.290 nan 0.000 0.492 405 S N 0.889 116.535 115.700 -0.089 0.000 2.565 405 S HA 0.388 4.858 4.470 0.001 0.000 0.276 405 S C 1.181 175.806 174.600 0.041 0.000 1.326 405 S CA -0.021 58.172 58.200 -0.012 0.000 1.045 405 S CB 1.294 64.483 63.200 -0.018 0.000 0.918 405 S HN 0.923 nan 8.310 nan 0.000 0.505 406 G N 2.219 111.083 108.800 0.107 0.000 2.432 406 G HA2 -0.097 3.864 3.960 0.001 0.000 0.219 406 G HA3 -0.097 3.864 3.960 0.001 0.000 0.219 406 G C 1.352 176.325 174.900 0.121 0.000 1.135 406 G CA 0.565 45.758 45.100 0.156 0.000 0.767 406 G HN 0.802 nan 8.290 nan 0.000 0.550 407 G N 0.467 109.325 108.800 0.096 0.000 2.535 407 G HA2 0.135 4.096 3.960 0.001 0.000 0.218 407 G HA3 0.135 4.096 3.960 0.001 0.000 0.218 407 G C 1.493 176.447 174.900 0.091 0.000 1.122 407 G CA 1.051 46.203 45.100 0.086 0.000 0.769 407 G HN 0.557 nan 8.290 nan 0.000 0.549 408 G N -0.080 108.748 108.800 0.047 0.000 2.880 408 G HA2 0.251 4.211 3.960 0.001 0.000 0.209 408 G HA3 0.251 4.211 3.960 0.001 0.000 0.209 408 G C 0.464 175.471 174.900 0.179 0.000 1.157 408 G CA -0.332 44.829 45.100 0.102 0.000 0.779 408 G HN 0.395 nan 8.290 nan 0.000 0.539 409 I N 1.065 121.714 120.570 0.132 0.000 2.307 409 I HA 0.329 4.500 4.170 0.001 0.000 0.289 409 I C 0.757 176.934 176.117 0.100 0.000 1.021 409 I CA -0.639 60.723 61.300 0.102 0.000 1.224 409 I CB 1.690 39.747 38.000 0.096 0.000 1.376 409 I HN -0.070 nan 8.210 nan 0.000 0.470 410 R N 3.147 123.680 120.500 0.054 0.000 2.397 410 R HA 0.310 4.651 4.340 0.001 0.000 0.241 410 R C -0.356 175.953 176.300 0.015 0.000 0.914 410 R CA 0.087 56.201 56.100 0.024 0.000 1.071 410 R CB 0.309 30.564 30.300 -0.076 0.000 1.116 410 R HN 0.614 nan 8.270 nan 0.000 0.524 411 D N -1.091 119.322 120.400 0.023 0.000 2.710 411 D HA 0.201 4.842 4.640 0.001 0.000 0.276 411 D C -1.046 175.275 176.300 0.035 0.000 1.267 411 D CA -0.203 53.813 54.000 0.027 0.000 0.772 411 D CB 1.946 42.742 40.800 -0.006 0.000 1.299 411 D HN -0.233 nan 8.370 nan 0.000 0.421 412 S N -0.104 115.621 115.700 0.040 0.000 2.722 412 S HA 0.703 5.174 4.470 0.001 0.000 0.292 412 S C -0.049 174.569 174.600 0.029 0.000 1.135 412 S CA -0.553 57.672 58.200 0.042 0.000 1.003 412 S CB 1.018 64.250 63.200 0.054 0.000 1.067 412 S HN 0.276 nan 8.310 nan 0.000 0.546 413 I N 2.052 122.640 120.570 0.029 0.000 2.439 413 I HA 0.266 4.437 4.170 0.001 0.000 0.285 413 I C -0.283 175.852 176.117 0.030 0.000 1.021 413 I CA -0.632 60.681 61.300 0.023 0.000 1.091 413 I CB 1.510 39.520 38.000 0.016 0.000 1.242 413 I HN 0.452 nan 8.210 nan 0.000 0.439 414 E N 3.995 124.212 120.200 0.029 0.000 2.408 414 E HA 0.266 4.616 4.350 0.001 0.000 0.259 414 E C 0.133 176.752 176.600 0.033 0.000 1.110 414 E CA -0.222 56.199 56.400 0.034 0.000 0.929 414 E CB 0.841 30.560 29.700 0.033 0.000 0.971 414 E HN 0.627 nan 8.360 nan 0.000 0.438 415 A N 0.832 123.674 122.820 0.036 0.000 2.498 415 A HA 0.480 4.801 4.320 0.001 0.000 0.239 415 A C 0.859 178.461 177.584 0.030 0.000 1.068 415 A CA 0.924 52.983 52.037 0.036 0.000 0.766 415 A CB -0.177 18.846 19.000 0.037 0.000 1.003 415 A HN 0.695 nan 8.150 nan 0.000 0.497 416 G N 1.471 110.288 108.800 0.028 0.000 2.337 416 G HA2 0.075 4.036 3.960 0.001 0.000 0.197 416 G HA3 0.075 4.036 3.960 0.001 0.000 0.197 416 G C -1.019 173.893 174.900 0.019 0.000 1.238 416 G CA -0.224 44.890 45.100 0.022 0.000 1.119 416 G HN 0.822 nan 8.290 nan 0.000 0.514 417 D N 0.412 120.820 120.400 0.015 0.000 2.399 417 D HA 0.509 5.150 4.640 0.001 0.000 0.241 417 D C 0.442 176.751 176.300 0.014 0.000 1.133 417 D CA 0.601 54.609 54.000 0.012 0.000 0.890 417 D CB 0.976 41.781 40.800 0.009 0.000 1.201 417 D HN 0.503 nan 8.370 nan 0.000 0.432 418 I N 1.032 121.612 120.570 0.016 0.000 2.433 418 I HA 0.151 4.321 4.170 0.001 0.000 0.292 418 I C 0.412 176.547 176.117 0.030 0.000 1.001 418 I CA -0.602 60.711 61.300 0.021 0.000 1.119 418 I CB 1.660 39.674 38.000 0.023 0.000 1.289 418 I HN 0.243 nan 8.210 nan 0.000 0.438 419 S N 4.812 120.533 115.700 0.036 0.000 2.681 419 S HA 0.298 4.769 4.470 0.001 0.000 0.299 419 S C 0.744 175.417 174.600 0.121 0.000 1.113 419 S CA -0.513 57.723 58.200 0.060 0.000 1.013 419 S CB 1.397 64.617 63.200 0.032 0.000 1.076 419 S HN 0.619 nan 8.310 nan 0.000 0.534 420 Y N 1.739 122.027 120.300 -0.020 0.000 2.207 420 Y HA -0.086 4.465 4.550 0.001 0.000 0.287 420 Y C 2.280 178.165 175.900 -0.025 0.000 1.156 420 Y CA 1.954 60.043 58.100 -0.018 0.000 1.182 420 Y CB -0.668 37.783 38.460 -0.015 0.000 0.979 420 Y HN 0.912 nan 8.280 nan 0.000 0.521 421 K N 0.304 120.676 120.400 -0.046 0.000 2.074 421 K HA -0.244 4.076 4.320 0.001 0.000 0.209 421 K C 1.822 178.355 176.600 -0.112 0.000 1.048 421 K CA 2.007 58.200 56.287 -0.157 0.000 0.926 421 K CB -0.305 32.126 32.500 -0.114 0.000 0.713 421 K HN 0.541 nan 8.250 nan 0.000 0.444 422 N N -0.364 118.309 118.700 -0.044 0.000 2.104 422 N HA -0.170 4.570 4.740 0.001 0.000 0.190 422 N C 1.686 177.180 175.510 -0.027 0.000 1.024 422 N CA 1.316 54.347 53.050 -0.032 0.000 0.853 422 N CB -0.005 38.481 38.487 -0.002 0.000 1.008 422 N HN -0.041 nan 8.380 nan 0.000 0.424 423 V N 1.495 121.414 119.914 0.009 0.000 2.295 423 V HA -0.185 3.936 4.120 0.001 0.000 0.246 423 V C 2.103 178.181 176.094 -0.027 0.000 1.049 423 V CA 1.428 63.746 62.300 0.030 0.000 1.024 423 V CB -0.485 31.416 31.823 0.128 0.000 0.648 423 V HN 0.313 nan 8.190 nan 0.000 0.447 424 L N -0.299 120.862 121.223 -0.104 0.000 2.275 424 L HA -0.157 4.183 4.340 0.001 0.000 0.215 424 L C 2.467 179.243 176.870 -0.157 0.000 1.119 424 L CA 1.238 55.983 54.840 -0.158 0.000 0.790 424 L CB -0.436 41.453 42.059 -0.284 0.000 0.919 424 L HN 0.281 nan 8.230 nan 0.000 0.443 425 K N -0.068 120.248 120.400 -0.140 0.000 2.103 425 K HA -0.084 4.237 4.320 0.001 0.000 0.204 425 K C 1.833 178.361 176.600 -0.120 0.000 1.052 425 K CA 1.045 57.245 56.287 -0.146 0.000 0.945 425 K CB -0.073 32.355 32.500 -0.120 0.000 0.722 425 K HN 0.014 nan 8.250 nan 0.000 0.443 426 V N 0.731 120.600 119.914 -0.075 0.000 2.323 426 V HA -0.118 4.002 4.120 0.001 0.000 0.244 426 V C 0.614 176.678 176.094 -0.050 0.000 1.041 426 V CA 1.420 63.696 62.300 -0.041 0.000 1.025 426 V CB -0.307 31.511 31.823 -0.009 0.000 0.656 426 V HN 0.346 nan 8.190 nan 0.000 0.451 427 Q N 0.706 120.473 119.800 -0.055 0.000 2.523 427 Q HA 0.262 4.603 4.340 0.001 0.000 0.251 427 Q C -2.125 173.807 176.000 -0.113 0.000 1.033 427 Q CA -1.403 54.376 55.803 -0.041 0.000 0.746 427 Q CB 1.902 30.658 28.738 0.029 0.000 1.189 427 Q HN 0.353 nan 8.270 nan 0.000 0.508 428 P HA 0.082 nan 4.420 nan 0.000 0.267 428 P C 0.228 177.344 177.300 -0.307 0.000 1.289 428 P CA 0.130 63.027 63.100 -0.338 0.000 0.866 428 P CB 0.286 31.715 31.700 -0.452 0.000 1.309 429 F N 0.700 120.666 119.950 0.026 0.000 2.789 429 F HA 0.339 4.867 4.527 0.001 0.000 0.300 429 F C 1.871 177.713 175.800 0.070 0.000 1.132 429 F CA 0.828 58.858 58.000 0.051 0.000 1.404 429 F CB -0.993 38.002 39.000 -0.008 0.000 1.114 429 F HN 0.036 nan 8.300 nan 0.000 0.584 430 G N 1.173 110.088 108.800 0.193 0.000 2.198 430 G HA2 -0.334 3.627 3.960 0.001 0.000 0.260 430 G HA3 -0.334 3.627 3.960 0.001 0.000 0.260 430 G C 0.117 175.116 174.900 0.165 0.000 1.025 430 G CA 0.091 45.289 45.100 0.164 0.000 0.769 430 G HN 0.466 nan 8.290 nan 0.000 0.507 431 N N -1.313 117.488 118.700 0.168 0.000 2.371 431 N HA 0.403 5.144 4.740 0.001 0.000 0.243 431 N C 0.131 175.709 175.510 0.114 0.000 1.287 431 N CA -0.188 52.940 53.050 0.131 0.000 0.911 431 N CB 1.059 39.618 38.487 0.120 0.000 1.142 431 N HN 0.061 nan 8.380 nan 0.000 0.451 432 V N 1.682 121.653 119.914 0.094 0.000 2.547 432 V HA 0.217 4.338 4.120 0.001 0.000 0.299 432 V C 0.082 176.222 176.094 0.077 0.000 1.040 432 V CA -0.757 61.591 62.300 0.080 0.000 0.913 432 V CB 1.900 33.746 31.823 0.039 0.000 0.992 432 V HN 0.317 nan 8.190 nan 0.000 0.449 433 V N 5.838 125.813 119.914 0.100 0.000 2.555 433 V HA 0.432 4.552 4.120 0.001 0.000 0.286 433 V C 0.173 176.299 176.094 0.053 0.000 1.044 433 V CA 0.165 62.526 62.300 0.101 0.000 1.026 433 V CB 1.368 33.284 31.823 0.156 0.000 0.981 433 V HN 0.769 nan 8.190 nan 0.000 0.480 434 V N 3.611 123.540 119.914 0.025 0.000 3.158 434 V HA 0.919 5.040 4.120 0.001 0.000 0.311 434 V C -1.175 174.916 176.094 -0.004 0.000 1.181 434 V CA -0.867 61.367 62.300 -0.111 0.000 1.054 434 V CB 2.166 33.879 31.823 -0.183 0.000 1.085 434 V HN 0.923 nan 8.190 nan 0.000 0.446 435 Y N -0.693 119.474 120.300 -0.221 0.000 2.638 435 Y HA 0.989 5.540 4.550 0.001 0.000 0.335 435 Y C -0.763 175.061 175.900 -0.126 0.000 1.155 435 Y CA -0.871 57.144 58.100 -0.142 0.000 1.046 435 Y CB 1.284 39.682 38.460 -0.103 0.000 1.303 435 Y HN 1.383 nan 8.280 nan 0.000 0.460 436 A N 1.722 124.638 122.820 0.161 0.000 2.459 436 A HA 0.570 4.891 4.320 0.001 0.000 0.296 436 A C -1.952 175.736 177.584 0.173 0.000 1.039 436 A CA -0.791 51.321 52.037 0.125 0.000 0.698 436 A CB 1.195 20.265 19.000 0.115 0.000 1.261 436 A HN 0.706 nan 8.150 nan 0.000 0.405 437 D N 2.820 123.329 120.400 0.182 0.000 2.249 437 D HA 0.607 5.247 4.640 0.001 0.000 0.246 437 D C 0.077 176.463 176.300 0.142 0.000 1.114 437 D CA 0.419 54.521 54.000 0.170 0.000 0.854 437 D CB 1.293 42.187 40.800 0.156 0.000 1.132 437 D HN 0.695 nan 8.370 nan 0.000 0.461 438 M N -0.891 118.815 119.600 0.176 0.000 2.618 438 M HA 0.467 4.948 4.480 0.001 0.000 0.281 438 M C -0.196 176.235 176.300 0.218 0.000 1.267 438 M CA -0.974 54.427 55.300 0.168 0.000 0.845 438 M CB 1.918 34.610 32.600 0.154 0.000 1.732 438 M HN 0.132 nan 8.290 nan 0.000 0.461 439 T N -1.250 113.411 114.554 0.179 0.000 2.828 439 T HA 0.431 4.781 4.350 0.001 0.000 0.290 439 T C 1.158 176.013 174.700 0.259 0.000 1.019 439 T CA -0.053 62.164 62.100 0.196 0.000 1.031 439 T CB 0.993 69.936 68.868 0.124 0.000 1.001 439 T HN 0.897 nan 8.240 nan 0.000 0.531 440 G N 0.756 109.744 108.800 0.313 0.000 2.442 440 G HA2 -0.243 3.717 3.960 0.001 0.000 0.219 440 G HA3 -0.243 3.717 3.960 0.001 0.000 0.219 440 G C 1.484 176.424 174.900 0.066 0.000 1.141 440 G CA 1.006 46.228 45.100 0.202 0.000 0.763 440 G HN 0.767 nan 8.290 nan 0.000 0.554 441 K N 1.167 121.617 120.400 0.082 0.000 2.032 441 K HA -0.078 4.242 4.320 0.001 0.000 0.209 441 K C 2.292 178.928 176.600 0.060 0.000 1.048 441 K CA 1.843 58.161 56.287 0.050 0.000 0.927 441 K CB -0.597 31.933 32.500 0.050 0.000 0.712 441 K HN 0.470 nan 8.250 nan 0.000 0.441 442 E N -0.323 119.932 120.200 0.091 0.000 2.077 442 E HA -0.139 4.211 4.350 0.001 0.000 0.193 442 E C 1.975 178.666 176.600 0.151 0.000 0.989 442 E CA 1.406 57.876 56.400 0.117 0.000 0.800 442 E CB -0.103 29.671 29.700 0.123 0.000 0.746 442 E HN 0.056 nan 8.360 nan 0.000 0.452 443 V N 1.648 121.639 119.914 0.128 0.000 2.282 443 V HA -0.298 3.822 4.120 0.001 0.000 0.249 443 V C 2.269 178.407 176.094 0.072 0.000 1.057 443 V CA 1.747 64.118 62.300 0.119 0.000 1.032 443 V CB -0.445 31.293 31.823 -0.143 0.000 0.645 443 V HN 0.287 nan 8.190 nan 0.000 0.447 444 I N -0.026 120.535 120.570 -0.015 0.000 2.208 444 I HA -0.251 3.920 4.170 0.001 0.000 0.245 444 I C 2.322 178.438 176.117 -0.001 0.000 1.097 444 I CA 1.702 62.976 61.300 -0.042 0.000 1.363 444 I CB -0.572 37.392 38.000 -0.058 0.000 1.051 444 I HN 0.359 nan 8.210 nan 0.000 0.413 445 D N 0.065 120.492 120.400 0.044 0.000 2.097 445 D HA -0.230 4.411 4.640 0.001 0.000 0.195 445 D C 1.941 178.283 176.300 0.070 0.000 0.989 445 D CA 1.456 55.482 54.000 0.043 0.000 0.827 445 D CB -0.401 40.437 40.800 0.064 0.000 0.966 445 D HN 0.350 nan 8.370 nan 0.000 0.456 446 Y N 1.555 121.877 120.300 0.037 0.000 2.089 446 Y HA -0.159 4.392 4.550 0.001 0.000 0.282 446 Y C 2.368 178.313 175.900 0.075 0.000 1.139 446 Y CA 1.395 59.538 58.100 0.073 0.000 1.123 446 Y CB -0.473 38.076 38.460 0.148 0.000 0.980 446 Y HN -0.123 nan 8.280 nan 0.000 0.493 447 L N -0.884 120.469 121.223 0.215 0.000 2.131 447 L HA -0.249 4.092 4.340 0.001 0.000 0.210 447 L C 2.278 179.094 176.870 -0.091 0.000 1.092 447 L CA 1.736 56.659 54.840 0.139 0.000 0.759 447 L CB -0.861 41.288 42.059 0.151 0.000 0.903 447 L HN 0.267 nan 8.230 nan 0.000 0.435 448 T N -0.177 114.296 114.554 -0.136 0.000 2.746 448 T HA -0.152 4.198 4.350 0.001 0.000 0.267 448 T C 2.034 176.639 174.700 -0.158 0.000 1.039 448 T CA 1.318 63.304 62.100 -0.190 0.000 1.142 448 T CB -0.172 68.609 68.868 -0.145 0.000 0.866 448 T HN 0.458 nan 8.240 nan 0.000 0.444 449 A N 0.966 123.682 122.820 -0.172 0.000 1.877 449 A HA -0.045 4.275 4.320 0.001 0.000 0.216 449 A C 2.578 180.001 177.584 -0.268 0.000 1.186 449 A CA 1.367 53.280 52.037 -0.206 0.000 0.620 449 A CB -1.056 17.801 19.000 -0.238 0.000 0.822 449 A HN 0.341 nan 8.150 nan 0.000 0.443 450 V N -0.056 119.634 119.914 -0.374 0.000 2.407 450 V HA -0.227 3.894 4.120 0.001 0.000 0.248 450 V C 2.915 178.970 176.094 -0.065 0.000 1.055 450 V CA 1.762 63.811 62.300 -0.417 0.000 1.049 450 V CB -1.095 30.476 31.823 -0.421 0.000 0.662 450 V HN 0.605 nan 8.190 nan 0.000 0.455 451 A N -1.045 121.840 122.820 0.109 0.000 2.216 451 A HA -0.205 4.115 4.320 0.001 0.000 0.214 451 A C 2.017 179.807 177.584 0.343 0.000 1.160 451 A CA 1.256 53.503 52.037 0.351 0.000 0.725 451 A CB -0.384 18.584 19.000 -0.053 0.000 0.784 451 A HN 0.634 nan 8.150 nan 0.000 0.472 452 Q N -0.760 119.099 119.800 0.099 0.000 2.360 452 Q HA 0.193 4.534 4.340 0.001 0.000 0.202 452 Q C -0.141 175.866 176.000 0.012 0.000 0.915 452 Q CA -0.191 55.653 55.803 0.068 0.000 0.943 452 Q CB 0.155 28.893 28.738 -0.000 0.000 1.064 452 Q HN 0.466 nan 8.270 nan 0.000 0.511 453 M N 1.768 121.357 119.600 -0.018 0.000 2.268 453 M HA 0.089 4.570 4.480 0.001 0.000 0.349 453 M C -0.041 176.251 176.300 -0.014 0.000 1.485 453 M CA 0.599 55.877 55.300 -0.037 0.000 1.094 453 M CB 0.146 32.704 32.600 -0.070 0.000 1.843 453 M HN -0.038 nan 8.290 nan 0.000 0.460 454 K N 3.868 124.254 120.400 -0.024 0.000 2.168 454 K HA 0.355 4.676 4.320 0.001 0.000 0.258 454 K C -2.226 174.339 176.600 -0.058 0.000 1.010 454 K CA -1.400 54.850 56.287 -0.062 0.000 0.929 454 K CB -0.053 32.406 32.500 -0.067 0.000 0.998 454 K HN 0.328 nan 8.250 nan 0.000 0.479 455 P HA -0.038 nan 4.420 nan 0.000 0.275 455 P C -0.644 176.332 177.300 -0.539 0.000 1.270 455 P CA 0.104 62.896 63.100 -0.513 0.000 0.791 455 P CB 0.285 31.680 31.700 -0.508 0.000 1.089 456 D N -1.554 118.163 120.400 -1.138 0.000 2.723 456 D HA -0.156 4.485 4.640 0.001 0.000 0.236 456 D C -0.914 175.172 176.300 -0.358 0.000 1.138 456 D CA 1.210 54.684 54.000 -0.878 0.000 0.676 456 D CB -1.435 39.219 40.800 -0.242 0.000 1.069 456 D HN 0.304 nan 8.370 nan 0.000 0.430 457 S N -2.420 113.095 115.700 -0.308 0.000 2.547 457 S HA 0.646 5.116 4.470 0.001 0.000 0.270 457 S C 1.227 175.812 174.600 -0.024 0.000 1.150 457 S CA -0.025 58.117 58.200 -0.096 0.000 0.850 457 S CB 1.395 64.570 63.200 -0.042 0.000 1.118 457 S HN 0.261 nan 8.310 nan 0.000 0.461 458 G N 1.512 110.335 108.800 0.039 0.000 2.471 458 G HA2 0.119 4.080 3.960 0.001 0.000 0.219 458 G HA3 0.119 4.080 3.960 0.001 0.000 0.219 458 G C 1.287 176.260 174.900 0.122 0.000 1.125 458 G CA 0.812 45.959 45.100 0.078 0.000 0.775 458 G HN 1.102 nan 8.290 nan 0.000 0.548 459 A N -0.411 122.494 122.820 0.143 0.000 2.167 459 A HA 0.218 4.539 4.320 0.001 0.000 0.214 459 A C 0.958 178.680 177.584 0.230 0.000 1.151 459 A CA -0.359 51.819 52.037 0.234 0.000 0.735 459 A CB -0.452 18.675 19.000 0.212 0.000 0.802 459 A HN 0.389 nan 8.150 nan 0.000 0.467 460 Y N 2.683 122.995 120.300 0.022 0.000 2.805 460 Y HA 0.164 4.715 4.550 0.001 0.000 0.331 460 Y C -2.246 173.688 175.900 0.056 0.000 1.241 460 Y CA -2.063 56.022 58.100 -0.026 0.000 1.546 460 Y CB 0.377 38.755 38.460 -0.137 0.000 1.248 460 Y HN 0.169 nan 8.280 nan 0.000 0.559 461 P HA 0.083 nan 4.420 nan 0.000 0.284 461 P C -1.331 175.578 177.300 -0.652 0.000 1.253 461 P CA -0.352 62.437 63.100 -0.519 0.000 0.800 461 P CB 1.421 32.778 31.700 -0.573 0.000 0.961 462 Q N 2.295 121.864 119.800 -0.385 0.000 2.307 462 Q HA 0.467 4.807 4.340 0.001 0.000 0.262 462 Q C -0.660 175.203 176.000 -0.229 0.000 0.961 462 Q CA -0.364 55.362 55.803 -0.127 0.000 0.882 462 Q CB 1.204 29.958 28.738 0.027 0.000 1.264 462 Q HN 0.416 nan 8.270 nan 0.000 0.446 463 F N 0.383 120.417 119.950 0.141 0.000 2.556 463 F HA 0.798 5.326 4.527 0.001 0.000 0.327 463 F C 0.134 176.016 175.800 0.138 0.000 1.059 463 F CA -1.071 57.026 58.000 0.162 0.000 0.953 463 F CB 1.731 40.815 39.000 0.141 0.000 1.227 463 F HN 0.464 nan 8.300 nan 0.000 0.478 464 A N 1.349 124.389 122.820 0.366 0.000 2.422 464 A HA 0.635 4.955 4.320 0.001 0.000 0.302 464 A C -0.290 177.456 177.584 0.269 0.000 1.041 464 A CA -0.766 51.423 52.037 0.253 0.000 0.708 464 A CB 0.831 19.943 19.000 0.187 0.000 1.257 464 A HN 0.820 nan 8.150 nan 0.000 0.414 465 N N -0.866 117.944 118.700 0.184 0.000 2.753 465 N HA -0.145 4.596 4.740 0.001 0.000 0.251 465 N C -0.469 175.105 175.510 0.107 0.000 1.097 465 N CA 1.462 54.602 53.050 0.151 0.000 0.786 465 N CB -1.361 37.246 38.487 0.201 0.000 1.137 465 N HN 0.638 nan 8.380 nan 0.000 0.566 466 V N 0.222 120.183 119.914 0.078 0.000 2.555 466 V HA 0.764 4.884 4.120 0.001 0.000 0.302 466 V C 0.192 176.148 176.094 -0.230 0.000 1.038 466 V CA -0.489 61.777 62.300 -0.057 0.000 0.887 466 V CB 2.161 33.984 31.823 0.000 0.000 0.991 466 V HN 0.330 nan 8.190 nan 0.000 0.434 467 S N 4.315 119.866 115.700 -0.249 0.000 2.547 467 S HA 0.967 5.437 4.470 0.001 0.000 0.281 467 S C -1.016 173.428 174.600 -0.260 0.000 1.118 467 S CA -0.655 57.344 58.200 -0.334 0.000 0.947 467 S CB 2.161 65.249 63.200 -0.186 0.000 1.053 467 S HN 1.287 nan 8.310 nan 0.000 0.482 468 F N -1.198 118.571 119.950 -0.300 0.000 2.842 468 F HA 0.736 5.264 4.527 0.001 0.000 0.319 468 F C -2.440 173.159 175.800 -0.335 0.000 1.159 468 F CA -1.393 56.424 58.000 -0.305 0.000 0.902 468 F CB 0.491 39.278 39.000 -0.354 0.000 1.311 468 F HN 0.440 nan 8.300 nan 0.000 0.453 469 V N 2.076 122.082 119.914 0.153 0.000 2.407 469 V HA 0.815 4.935 4.120 0.001 0.000 0.291 469 V C -0.032 176.071 176.094 0.015 0.000 1.018 469 V CA -0.415 61.904 62.300 0.032 0.000 0.842 469 V CB 0.954 32.766 31.823 -0.018 0.000 0.996 469 V HN 1.209 nan 8.190 nan 0.000 0.426 470 A N 5.142 127.922 122.820 -0.066 0.000 2.310 470 A HA 0.883 5.204 4.320 0.001 0.000 0.299 470 A C -0.251 177.328 177.584 -0.008 0.000 1.147 470 A CA -0.449 51.486 52.037 -0.169 0.000 0.818 470 A CB 0.970 19.758 19.000 -0.353 0.000 1.096 470 A HN 0.781 nan 8.150 nan 0.000 0.495 471 K N 1.827 122.226 120.400 -0.001 0.000 2.569 471 K HA 0.307 4.628 4.320 0.001 0.000 0.259 471 K C -1.400 175.213 176.600 0.022 0.000 0.932 471 K CA -0.514 55.799 56.287 0.043 0.000 0.833 471 K CB 1.040 33.556 32.500 0.027 0.000 1.340 471 K HN 0.666 nan 8.250 nan 0.000 0.429 472 D N 2.814 123.239 120.400 0.042 0.000 2.701 472 D HA -0.197 4.444 4.640 0.001 0.000 0.235 472 D C 0.644 176.949 176.300 0.008 0.000 1.155 472 D CA 2.020 56.035 54.000 0.024 0.000 0.649 472 D CB -1.334 39.472 40.800 0.011 0.000 1.050 472 D HN 1.097 nan 8.370 nan 0.000 0.425 473 G N -0.491 108.320 108.800 0.018 0.000 2.155 473 G HA2 -0.381 3.579 3.960 0.001 0.000 0.257 473 G HA3 -0.381 3.579 3.960 0.001 0.000 0.257 473 G C 0.267 175.133 174.900 -0.057 0.000 0.983 473 G CA 0.959 46.054 45.100 -0.008 0.000 0.676 473 G HN 0.691 nan 8.290 nan 0.000 0.528 474 K N -0.302 120.054 120.400 -0.075 0.000 2.375 474 K HA 0.728 5.048 4.320 0.001 0.000 0.249 474 K C 0.030 176.518 176.600 -0.187 0.000 0.942 474 K CA -1.123 55.093 56.287 -0.117 0.000 0.806 474 K CB 1.016 33.469 32.500 -0.078 0.000 1.227 474 K HN 0.086 nan 8.250 nan 0.000 0.430 475 L N 3.545 124.614 121.223 -0.256 0.000 2.292 475 L HA 0.374 4.715 4.340 0.001 0.000 0.284 475 L C -0.179 176.581 176.870 -0.183 0.000 1.065 475 L CA -0.827 53.805 54.840 -0.347 0.000 0.806 475 L CB 1.127 42.874 42.059 -0.521 0.000 1.175 475 L HN 0.593 nan 8.230 nan 0.000 0.431 476 N N 1.968 120.596 118.700 -0.120 0.000 2.361 476 N HA 0.115 4.856 4.740 0.001 0.000 0.302 476 N C -0.415 175.074 175.510 -0.036 0.000 1.074 476 N CA -0.504 52.508 53.050 -0.064 0.000 0.850 476 N CB 1.803 40.263 38.487 -0.045 0.000 1.228 476 N HN 0.566 nan 8.380 nan 0.000 0.491 477 D N 0.798 121.175 120.400 -0.038 0.000 2.708 477 D HA -0.197 4.444 4.640 0.001 0.000 0.236 477 D C -0.605 175.676 176.300 -0.031 0.000 1.146 477 D CA 0.309 54.289 54.000 -0.033 0.000 0.662 477 D CB -0.930 39.853 40.800 -0.030 0.000 1.059 477 D HN 0.421 nan 8.370 nan 0.000 0.428 478 L N 0.603 121.800 121.223 -0.043 0.000 2.462 478 L HA 0.278 4.619 4.340 0.001 0.000 0.272 478 L C 0.222 177.043 176.870 -0.080 0.000 1.166 478 L CA 0.787 55.599 54.840 -0.047 0.000 0.880 478 L CB 0.337 42.336 42.059 -0.101 0.000 1.142 478 L HN 0.105 nan 8.230 nan 0.000 0.473 479 K N 5.912 126.258 120.400 -0.091 0.000 2.469 479 K HA 0.589 4.909 4.320 0.001 0.000 0.254 479 K C -1.488 175.027 176.600 -0.142 0.000 0.939 479 K CA -0.881 55.343 56.287 -0.104 0.000 0.812 479 K CB 2.251 34.710 32.500 -0.067 0.000 1.301 479 K HN 0.356 nan 8.250 nan 0.000 0.433 480 I N 2.681 123.166 120.570 -0.141 0.000 2.389 480 I HA 0.193 4.363 4.170 0.001 0.000 0.288 480 I C 0.028 176.146 176.117 0.001 0.000 0.999 480 I CA -0.579 60.644 61.300 -0.129 0.000 1.129 480 I CB 1.268 39.127 38.000 -0.235 0.000 1.288 480 I HN 0.708 nan 8.210 nan 0.000 0.444 481 K N 4.421 124.838 120.400 0.029 0.000 3.077 481 K HA -0.247 4.074 4.320 0.001 0.000 0.264 481 K C 1.012 177.628 176.600 0.027 0.000 1.008 481 K CA 0.655 56.971 56.287 0.048 0.000 0.740 481 K CB -1.444 31.104 32.500 0.081 0.000 1.273 481 K HN 1.200 nan 8.250 nan 0.000 0.477 482 G N -0.592 108.209 108.800 0.002 0.000 2.184 482 G HA2 -0.305 3.656 3.960 0.001 0.000 0.264 482 G HA3 -0.305 3.656 3.960 0.001 0.000 0.264 482 G C -0.181 174.719 174.900 0.000 0.000 0.975 482 G CA 0.765 45.863 45.100 -0.004 0.000 0.642 482 G HN 0.380 nan 8.290 nan 0.000 0.536 483 E N 0.897 121.104 120.200 0.011 0.000 2.227 483 E HA 0.458 4.808 4.350 0.001 0.000 0.268 483 E C -2.433 174.171 176.600 0.006 0.000 0.907 483 E CA -2.002 54.410 56.400 0.021 0.000 0.786 483 E CB 2.234 31.967 29.700 0.054 0.000 1.191 483 E HN 0.186 nan 8.360 nan 0.000 0.411 484 P HA 0.026 nan 4.420 nan 0.000 0.269 484 P C 0.018 177.314 177.300 -0.007 0.000 1.209 484 P CA -0.248 62.841 63.100 -0.018 0.000 0.776 484 P CB 0.598 32.292 31.700 -0.010 0.000 0.876 485 V N 3.317 123.184 119.914 -0.078 0.000 2.446 485 V HA 0.011 4.132 4.120 0.001 0.000 0.276 485 V C 0.936 177.041 176.094 0.018 0.000 1.030 485 V CA 0.291 62.514 62.300 -0.128 0.000 1.033 485 V CB -0.156 31.472 31.823 -0.326 0.000 0.993 485 V HN 0.551 nan 8.190 nan 0.000 0.477 486 D N 7.554 128.071 120.400 0.195 0.000 2.339 486 D HA 0.230 4.870 4.640 0.001 0.000 0.241 486 D C -1.547 174.861 176.300 0.180 0.000 1.183 486 D CA -2.115 51.983 54.000 0.162 0.000 0.859 486 D CB 2.047 42.942 40.800 0.158 0.000 1.067 486 D HN 0.228 nan 8.370 nan 0.000 0.484 487 P HA -0.116 nan 4.420 nan 0.000 0.220 487 P C 0.588 177.948 177.300 0.100 0.000 1.144 487 P CA 1.023 64.173 63.100 0.085 0.000 0.800 487 P CB 0.346 32.072 31.700 0.044 0.000 0.772 488 A N -1.963 120.911 122.820 0.090 0.000 2.147 488 A HA 0.062 4.382 4.320 0.001 0.000 0.211 488 A C 1.111 178.730 177.584 0.058 0.000 1.160 488 A CA 0.462 52.539 52.037 0.066 0.000 0.781 488 A CB -0.327 18.698 19.000 0.041 0.000 0.842 488 A HN 0.124 nan 8.150 nan 0.000 0.475 489 K N 0.501 120.945 120.400 0.073 0.000 2.098 489 K HA 0.418 4.738 4.320 0.001 0.000 0.244 489 K C -0.172 176.401 176.600 -0.044 0.000 1.014 489 K CA 0.113 56.374 56.287 -0.044 0.000 0.917 489 K CB 0.746 33.136 32.500 -0.185 0.000 1.072 489 K HN 0.312 nan 8.250 nan 0.000 0.477 490 T N -0.969 113.486 114.554 -0.165 0.000 2.824 490 T HA 0.474 4.824 4.350 0.001 0.000 0.280 490 T C -0.886 173.678 174.700 -0.226 0.000 0.995 490 T CA -0.711 61.357 62.100 -0.053 0.000 1.009 490 T CB 0.335 69.203 68.868 0.000 0.000 0.955 490 T HN 0.306 nan 8.240 nan 0.000 0.452 491 Y N 0.420 120.794 120.300 0.124 0.000 2.524 491 Y HA 0.643 5.193 4.550 0.001 0.000 0.344 491 Y C 0.434 176.458 175.900 0.206 0.000 1.012 491 Y CA -1.370 56.841 58.100 0.185 0.000 1.068 491 Y CB 2.087 40.702 38.460 0.258 0.000 1.249 491 Y HN 0.704 nan 8.280 nan 0.000 0.468 492 R N 3.194 123.892 120.500 0.329 0.000 2.387 492 R HA 0.600 4.941 4.340 0.001 0.000 0.314 492 R C -1.282 175.041 176.300 0.039 0.000 0.958 492 R CA -0.541 55.660 56.100 0.169 0.000 0.846 492 R CB 0.969 31.299 30.300 0.049 0.000 1.147 492 R HN 0.903 nan 8.270 nan 0.000 0.447 493 M N 3.685 123.187 119.600 -0.164 0.000 2.404 493 M HA 0.551 5.032 4.480 0.001 0.000 0.338 493 M C -1.262 174.895 176.300 -0.238 0.000 1.150 493 M CA -0.505 54.437 55.300 -0.597 0.000 1.016 493 M CB 1.912 33.966 32.600 -0.910 0.000 1.672 493 M HN 0.796 nan 8.290 nan 0.000 0.448 494 A N 2.958 125.646 122.820 -0.220 0.000 2.340 494 A HA 0.881 5.201 4.320 0.001 0.000 0.331 494 A C -0.479 177.074 177.584 -0.051 0.000 1.140 494 A CA -0.407 51.599 52.037 -0.052 0.000 0.801 494 A CB 1.888 20.872 19.000 -0.025 0.000 1.234 494 A HN 0.877 nan 8.150 nan 0.000 0.469 495 T N 0.091 114.652 114.554 0.011 0.000 2.663 495 T HA 0.486 4.836 4.350 0.001 0.000 0.302 495 T C -1.587 173.147 174.700 0.057 0.000 1.523 495 T CA -0.467 61.652 62.100 0.032 0.000 1.011 495 T CB 0.059 68.956 68.868 0.048 0.000 1.841 495 T HN 0.609 nan 8.240 nan 0.000 0.462 496 L N 2.710 123.975 121.223 0.069 0.000 2.334 496 L HA 0.481 4.821 4.340 0.001 0.000 0.272 496 L C 1.685 178.620 176.870 0.109 0.000 1.020 496 L CA -1.019 53.875 54.840 0.091 0.000 0.812 496 L CB 1.423 43.545 42.059 0.104 0.000 1.264 496 L HN 0.864 nan 8.230 nan 0.000 0.439 497 N N 1.247 120.013 118.700 0.109 0.000 2.205 497 N HA -0.275 4.465 4.740 0.001 0.000 0.186 497 N C 1.558 177.109 175.510 0.067 0.000 1.015 497 N CA 1.450 54.565 53.050 0.109 0.000 0.862 497 N CB -0.533 38.002 38.487 0.080 0.000 0.986 497 N HN 0.645 nan 8.380 nan 0.000 0.429 498 F N 2.087 121.997 119.950 -0.068 0.000 2.065 498 F HA -0.181 4.347 4.527 0.001 0.000 0.298 498 F C 1.683 177.408 175.800 -0.125 0.000 1.112 498 F CA 1.991 59.918 58.000 -0.122 0.000 1.212 498 F CB -0.584 38.324 39.000 -0.153 0.000 0.975 498 F HN 0.019 nan 8.300 nan 0.000 0.476 499 N N 0.320 118.980 118.700 -0.067 0.000 2.216 499 N HA -0.026 4.714 4.740 0.001 0.000 0.183 499 N C 1.903 177.366 175.510 -0.079 0.000 1.017 499 N CA 1.154 54.059 53.050 -0.242 0.000 0.861 499 N CB -0.565 37.760 38.487 -0.269 0.000 0.986 499 N HN 0.382 nan 8.380 nan 0.000 0.428 500 A N 0.386 123.214 122.820 0.013 0.000 2.024 500 A HA -0.141 4.179 4.320 0.001 0.000 0.220 500 A C 2.049 179.583 177.584 -0.085 0.000 1.164 500 A CA 1.913 53.976 52.037 0.044 0.000 0.643 500 A CB -1.064 18.057 19.000 0.202 0.000 0.806 500 A HN 0.475 nan 8.150 nan 0.000 0.451 501 T N -4.852 109.627 114.554 -0.125 0.000 3.144 501 T HA 0.433 4.783 4.350 0.001 0.000 0.249 501 T C 1.169 175.768 174.700 -0.168 0.000 1.089 501 T CA 1.001 63.001 62.100 -0.166 0.000 0.989 501 T CB 0.217 68.990 68.868 -0.158 0.000 0.992 501 T HN 1.634 nan 8.240 nan 0.000 0.540 502 G N 0.336 109.036 108.800 -0.165 0.000 2.168 502 G HA2 -0.007 3.954 3.960 0.001 0.000 0.197 502 G HA3 -0.007 3.954 3.960 0.001 0.000 0.197 502 G C 0.398 175.138 174.900 -0.268 0.000 0.997 502 G CA -0.399 44.618 45.100 -0.138 0.000 0.658 502 G HN 0.942 nan 8.290 nan 0.000 0.513 503 G N -0.305 108.128 108.800 -0.613 0.000 2.491 503 G HA2 0.451 4.412 3.960 0.001 0.000 0.238 503 G HA3 0.451 4.412 3.960 0.001 0.000 0.238 503 G C 0.628 175.212 174.900 -0.526 0.000 1.277 503 G CA 0.925 45.347 45.100 -1.130 0.000 0.851 503 G HN 0.685 nan 8.290 nan 0.000 0.573 504 D N -0.083 120.197 120.400 -0.199 0.000 3.039 504 D HA -0.215 4.426 4.640 0.001 0.000 0.222 504 D C 1.632 178.049 176.300 0.195 0.000 1.179 504 D CA 2.653 56.721 54.000 0.112 0.000 0.880 504 D CB -1.205 39.736 40.800 0.235 0.000 1.115 504 D HN 1.735 nan 8.370 nan 0.000 0.416 505 G N -1.578 107.276 108.800 0.090 0.000 2.157 505 G HA2 -0.375 3.586 3.960 0.001 0.000 0.248 505 G HA3 -0.375 3.586 3.960 0.001 0.000 0.248 505 G C 0.183 175.144 174.900 0.102 0.000 0.979 505 G CA 0.248 45.391 45.100 0.073 0.000 0.650 505 G HN 0.389 nan 8.290 nan 0.000 0.529 506 Y N 0.928 121.170 120.300 -0.095 0.000 2.480 506 Y HA 0.414 4.964 4.550 0.001 0.000 0.338 506 Y C -1.503 174.366 175.900 -0.052 0.000 1.220 506 Y CA -1.776 56.273 58.100 -0.085 0.000 1.430 506 Y CB 0.169 38.609 38.460 -0.033 0.000 1.311 506 Y HN 0.006 nan 8.280 nan 0.000 0.575 507 P HA 0.051 nan 4.420 nan 0.000 0.264 507 P C -0.347 177.066 177.300 0.189 0.000 1.193 507 P CA 0.041 63.202 63.100 0.101 0.000 0.763 507 P CB 0.443 32.202 31.700 0.099 0.000 0.810 508 R N 2.942 123.485 120.500 0.073 0.000 2.570 508 R HA 0.102 4.442 4.340 0.001 0.000 0.277 508 R C 0.811 177.108 176.300 -0.005 0.000 1.039 508 R CA 0.323 56.425 56.100 0.003 0.000 1.065 508 R CB 0.200 30.467 30.300 -0.055 0.000 0.964 508 R HN 0.598 nan 8.270 nan 0.000 0.428 509 L N 1.715 122.875 121.223 -0.105 0.000 2.840 509 L HA 0.006 4.347 4.340 0.001 0.000 0.249 509 L C 1.645 178.215 176.870 -0.499 0.000 1.119 509 L CA 0.025 54.771 54.840 -0.157 0.000 0.930 509 L CB 0.100 42.125 42.059 -0.056 0.000 1.295 509 L HN 0.665 nan 8.230 nan 0.000 0.534 510 D N 0.611 120.523 120.400 -0.814 0.000 2.264 510 D HA -0.218 4.422 4.640 0.001 0.000 0.208 510 D C 0.912 176.847 176.300 -0.608 0.000 0.966 510 D CA 1.308 54.480 54.000 -1.379 0.000 0.864 510 D CB -0.366 39.900 40.800 -0.890 0.000 0.933 510 D HN 0.624 nan 8.370 nan 0.000 0.499 511 N N -0.290 118.215 118.700 -0.325 0.000 2.230 511 N HA 0.003 4.743 4.740 0.001 0.000 0.202 511 N C 0.040 175.492 175.510 -0.097 0.000 1.119 511 N CA -0.489 52.465 53.050 -0.160 0.000 0.851 511 N CB 0.357 38.778 38.487 -0.110 0.000 0.990 511 N HN -0.147 nan 8.380 nan 0.000 0.497 512 K N 1.378 121.716 120.400 -0.103 0.000 2.095 512 K HA 0.302 4.622 4.320 0.001 0.000 0.252 512 K C -1.503 175.107 176.600 0.016 0.000 0.977 512 K CA -2.151 54.120 56.287 -0.027 0.000 0.900 512 K CB 1.002 33.496 32.500 -0.009 0.000 1.060 512 K HN -0.236 nan 8.250 nan 0.000 0.449 513 P HA -0.200 nan 4.420 nan 0.000 0.212 513 P C 0.822 178.159 177.300 0.062 0.000 1.174 513 P CA 1.619 64.745 63.100 0.043 0.000 0.934 513 P CB 0.084 31.808 31.700 0.041 0.000 0.791 514 G N -2.674 106.171 108.800 0.075 0.000 3.379 514 G HA2 -0.028 3.932 3.960 0.001 0.000 0.253 514 G HA3 -0.028 3.932 3.960 0.001 0.000 0.253 514 G C -0.333 174.601 174.900 0.056 0.000 1.262 514 G CA -0.241 44.904 45.100 0.075 0.000 0.959 514 G HN 0.195 nan 8.290 nan 0.000 0.524 515 Y N 0.917 121.159 120.300 -0.097 0.000 2.425 515 Y HA 0.424 4.974 4.550 0.001 0.000 0.331 515 Y C -0.422 175.305 175.900 -0.289 0.000 1.157 515 Y CA -0.306 57.686 58.100 -0.180 0.000 1.372 515 Y CB 1.184 39.568 38.460 -0.126 0.000 1.253 515 Y HN -0.078 nan 8.280 nan 0.000 0.536 516 V N 6.999 126.253 119.914 -1.101 0.000 2.567 516 V HA 0.172 4.293 4.120 0.001 0.000 0.298 516 V C -0.764 174.652 176.094 -1.129 0.000 1.047 516 V CA -1.309 60.367 62.300 -1.041 0.000 0.880 516 V CB 1.614 32.688 31.823 -1.249 0.000 1.009 516 V HN 0.811 nan 8.190 nan 0.000 0.429 517 N N 2.923 121.161 118.700 -0.770 0.000 2.420 517 N HA 0.099 4.840 4.740 0.001 0.000 0.249 517 N C 1.245 176.541 175.510 -0.357 0.000 1.033 517 N CA 0.419 53.169 53.050 -0.500 0.000 0.944 517 N CB 2.069 40.407 38.487 -0.247 0.000 1.113 517 N HN 0.832 nan 8.380 nan 0.000 0.502 518 T N 0.852 115.228 114.554 -0.297 0.000 3.035 518 T HA 0.114 4.465 4.350 0.001 0.000 0.268 518 T C 1.375 175.687 174.700 -0.646 0.000 1.109 518 T CA 0.988 62.868 62.100 -0.365 0.000 1.119 518 T CB -0.259 68.517 68.868 -0.154 0.000 0.900 518 T HN 0.665 nan 8.240 nan 0.000 0.503 519 G N 0.913 109.482 108.800 -0.385 0.000 2.267 519 G HA2 -0.223 3.738 3.960 0.001 0.000 0.257 519 G HA3 -0.223 3.738 3.960 0.001 0.000 0.257 519 G C -0.067 174.704 174.900 -0.214 0.000 0.998 519 G CA 0.025 44.935 45.100 -0.316 0.000 0.620 519 G HN 0.560 nan 8.290 nan 0.000 0.529 520 F N 1.663 121.630 119.950 0.027 0.000 2.495 520 F HA 0.552 5.080 4.527 0.001 0.000 0.365 520 F C 1.343 177.171 175.800 0.047 0.000 1.090 520 F CA -1.123 56.900 58.000 0.038 0.000 1.235 520 F CB 0.358 39.381 39.000 0.039 0.000 1.119 520 F HN 0.030 nan 8.300 nan 0.000 0.562 521 I N 3.966 124.687 120.570 0.251 0.000 2.529 521 I HA -0.000 4.170 4.170 0.001 0.000 0.284 521 I C 1.155 177.368 176.117 0.160 0.000 1.082 521 I CA -0.265 61.139 61.300 0.173 0.000 1.406 521 I CB 0.786 38.880 38.000 0.156 0.000 1.405 521 I HN 0.639 nan 8.210 nan 0.000 0.548 522 D N 5.324 125.804 120.400 0.134 0.000 2.160 522 D HA -0.321 4.320 4.640 0.001 0.000 0.189 522 D C 1.915 178.278 176.300 0.105 0.000 1.003 522 D CA 1.950 56.017 54.000 0.112 0.000 0.846 522 D CB -0.523 40.339 40.800 0.102 0.000 0.949 522 D HN 0.585 nan 8.370 nan 0.000 0.446 523 A N 0.341 123.229 122.820 0.114 0.000 1.972 523 A HA -0.194 4.127 4.320 0.001 0.000 0.219 523 A C 2.144 179.829 177.584 0.169 0.000 1.169 523 A CA 1.703 53.819 52.037 0.133 0.000 0.635 523 A CB -0.409 18.667 19.000 0.128 0.000 0.810 523 A HN 0.151 nan 8.150 nan 0.000 0.446 524 E N -0.201 120.092 120.200 0.155 0.000 2.107 524 E HA -0.076 4.275 4.350 0.001 0.000 0.191 524 E C 2.196 178.825 176.600 0.049 0.000 0.982 524 E CA 1.169 57.632 56.400 0.106 0.000 0.809 524 E CB -0.672 29.093 29.700 0.108 0.000 0.756 524 E HN 0.395 nan 8.360 nan 0.000 0.459 525 V N 1.571 121.522 119.914 0.062 0.000 2.358 525 V HA -0.213 3.907 4.120 0.001 0.000 0.246 525 V C 2.410 178.539 176.094 0.059 0.000 1.047 525 V CA 1.324 63.641 62.300 0.028 0.000 1.035 525 V CB -0.476 31.376 31.823 0.047 0.000 0.658 525 V HN 0.162 nan 8.190 nan 0.000 0.452 526 L N 0.698 121.964 121.223 0.072 0.000 2.027 526 L HA -0.139 4.202 4.340 0.001 0.000 0.206 526 L C 2.450 179.387 176.870 0.113 0.000 1.074 526 L CA 2.273 57.167 54.840 0.091 0.000 0.745 526 L CB -0.930 41.169 42.059 0.067 0.000 0.898 526 L HN 0.323 nan 8.230 nan 0.000 0.433 527 K N -0.382 120.070 120.400 0.085 0.000 2.032 527 K HA -0.212 4.109 4.320 0.001 0.000 0.209 527 K C 1.918 178.517 176.600 -0.001 0.000 1.048 527 K CA 1.753 58.064 56.287 0.039 0.000 0.927 527 K CB -0.335 32.145 32.500 -0.035 0.000 0.712 527 K HN 0.421 nan 8.250 nan 0.000 0.441 528 A N 0.247 123.062 122.820 -0.008 0.000 1.930 528 A HA -0.171 4.150 4.320 0.001 0.000 0.217 528 A C 2.064 179.657 177.584 0.016 0.000 1.175 528 A CA 1.311 53.331 52.037 -0.027 0.000 0.627 528 A CB -0.851 18.116 19.000 -0.056 0.000 0.815 528 A HN 0.620 nan 8.150 nan 0.000 0.443 529 Y N 0.552 120.826 120.300 -0.044 0.000 2.145 529 Y HA -0.180 4.371 4.550 0.001 0.000 0.286 529 Y C 1.979 177.872 175.900 -0.012 0.000 1.145 529 Y CA 1.756 59.843 58.100 -0.023 0.000 1.148 529 Y CB -0.238 38.216 38.460 -0.011 0.000 0.981 529 Y HN 0.269 nan 8.280 nan 0.000 0.507 530 I N 0.047 120.629 120.570 0.021 0.000 2.226 530 I HA -0.361 3.810 4.170 0.001 0.000 0.245 530 I C 2.383 178.438 176.117 -0.102 0.000 1.100 530 I CA 1.616 62.882 61.300 -0.057 0.000 1.374 530 I CB -0.520 37.494 38.000 0.024 0.000 1.057 530 I HN 0.347 nan 8.210 nan 0.000 0.413 531 Q N 1.014 120.767 119.800 -0.078 0.000 2.061 531 Q HA -0.261 4.079 4.340 0.001 0.000 0.204 531 Q C 2.120 178.060 176.000 -0.099 0.000 0.984 531 Q CA 2.107 57.862 55.803 -0.079 0.000 0.846 531 Q CB -0.172 28.521 28.738 -0.075 0.000 0.902 531 Q HN 0.580 nan 8.270 nan 0.000 0.421 532 K N -0.887 119.434 120.400 -0.132 0.000 2.365 532 K HA 0.122 4.442 4.320 0.001 0.000 0.197 532 K C 1.531 178.024 176.600 -0.179 0.000 1.042 532 K CA 1.137 57.343 56.287 -0.135 0.000 0.987 532 K CB 0.341 32.768 32.500 -0.121 0.000 0.779 532 K HN -0.117 nan 8.250 nan 0.000 0.484 533 S N 0.520 116.059 115.700 -0.268 0.000 2.503 533 S HA 0.040 4.511 4.470 0.001 0.000 0.215 533 S C 0.540 175.066 174.600 -0.123 0.000 1.003 533 S CA -0.386 57.654 58.200 -0.266 0.000 0.910 533 S CB 0.384 63.264 63.200 -0.534 0.000 0.790 533 S HN 0.359 nan 8.310 nan 0.000 0.514 534 S N 3.586 119.228 115.700 -0.097 0.000 2.560 534 S HA 0.189 4.660 4.470 0.001 0.000 0.284 534 S C -2.282 172.300 174.600 -0.029 0.000 1.327 534 S CA -1.058 57.116 58.200 -0.043 0.000 1.055 534 S CB 0.175 63.352 63.200 -0.038 0.000 0.868 534 S HN 0.183 nan 8.310 nan 0.000 0.506 535 P HA 0.276 nan 4.420 nan 0.000 0.279 535 P C -1.151 176.170 177.300 0.035 0.000 1.239 535 P CA -0.709 62.397 63.100 0.010 0.000 0.789 535 P CB 0.480 32.188 31.700 0.014 0.000 0.933 536 L N 3.069 124.329 121.223 0.062 0.000 2.380 536 L HA 0.236 4.576 4.340 0.001 0.000 0.273 536 L C 0.710 177.667 176.870 0.145 0.000 1.138 536 L CA 0.518 55.442 54.840 0.140 0.000 0.832 536 L CB -0.303 41.847 42.059 0.152 0.000 1.124 536 L HN 0.402 nan 8.230 nan 0.000 0.454 537 D N 1.445 121.946 120.400 0.169 0.000 2.392 537 D HA 0.196 4.837 4.640 0.001 0.000 0.228 537 D C 0.969 177.375 176.300 0.177 0.000 1.074 537 D CA -0.488 53.580 54.000 0.114 0.000 0.838 537 D CB 1.423 42.251 40.800 0.047 0.000 1.067 537 D HN 0.282 nan 8.370 nan 0.000 0.511 538 V N 2.284 122.310 119.914 0.186 0.000 2.720 538 V HA -0.157 3.963 4.120 0.001 0.000 0.256 538 V C 1.987 178.178 176.094 0.162 0.000 1.082 538 V CA 1.762 64.211 62.300 0.249 0.000 1.101 538 V CB -1.196 30.732 31.823 0.175 0.000 0.693 538 V HN 0.549 nan 8.190 nan 0.000 0.479 539 S N 0.392 116.138 115.700 0.076 0.000 2.400 539 S HA -0.162 4.308 4.470 0.001 0.000 0.232 539 S C 1.854 176.438 174.600 -0.027 0.000 1.025 539 S CA 1.649 59.868 58.200 0.031 0.000 0.993 539 S CB -0.820 62.389 63.200 0.015 0.000 0.808 539 S HN 0.464 nan 8.310 nan 0.000 0.478 540 V N 0.246 120.084 119.914 -0.126 0.000 2.626 540 V HA -0.070 4.051 4.120 0.001 0.000 0.252 540 V C 1.483 177.314 176.094 -0.439 0.000 1.067 540 V CA 1.420 63.515 62.300 -0.341 0.000 1.081 540 V CB -0.868 30.611 31.823 -0.574 0.000 0.686 540 V HN 0.657 nan 8.190 nan 0.000 0.468 541 Y N -0.879 119.466 120.300 0.075 0.000 2.507 541 Y HA 0.335 4.886 4.550 0.001 0.000 0.254 541 Y C 1.065 177.011 175.900 0.077 0.000 1.171 541 Y CA -0.779 57.370 58.100 0.081 0.000 1.238 541 Y CB 0.058 38.573 38.460 0.092 0.000 1.148 541 Y HN 0.205 nan 8.280 nan 0.000 0.525 542 E N 3.160 123.445 120.200 0.141 0.000 2.299 542 E HA 0.110 4.461 4.350 0.001 0.000 0.272 542 E C -2.458 174.203 176.600 0.101 0.000 1.043 542 E CA -1.907 54.564 56.400 0.118 0.000 0.895 542 E CB 0.729 30.478 29.700 0.081 0.000 1.011 542 E HN 0.076 nan 8.360 nan 0.000 0.432 543 P HA 0.110 nan 4.420 nan 0.000 0.275 543 P C -0.830 176.516 177.300 0.077 0.000 1.228 543 P CA 0.032 63.195 63.100 0.105 0.000 0.786 543 P CB 0.588 32.370 31.700 0.136 0.000 0.927 544 K N 1.584 122.014 120.400 0.051 0.000 2.972 544 K HA 0.345 4.665 4.320 0.001 0.000 0.209 544 K C 0.560 177.170 176.600 0.017 0.000 1.128 544 K CA -0.076 56.232 56.287 0.035 0.000 1.024 544 K CB 0.246 32.760 32.500 0.023 0.000 0.754 544 K HN 0.772 nan 8.250 nan 0.000 0.454 545 G N 1.459 110.272 108.800 0.023 0.000 2.143 545 G HA2 -0.306 3.655 3.960 0.001 0.000 0.249 545 G HA3 -0.306 3.655 3.960 0.001 0.000 0.249 545 G C 0.627 175.476 174.900 -0.085 0.000 0.981 545 G CA 0.562 45.658 45.100 -0.007 0.000 0.665 545 G HN 0.394 nan 8.290 nan 0.000 0.528 546 E N -0.548 119.593 120.200 -0.098 0.000 2.114 546 E HA 0.038 4.389 4.350 0.001 0.000 0.199 546 E C 1.790 178.164 176.600 -0.378 0.000 1.008 546 E CA 1.651 57.943 56.400 -0.179 0.000 0.810 546 E CB -0.096 29.522 29.700 -0.136 0.000 0.739 546 E HN 1.340 nan 8.360 nan 0.000 0.456 547 V N -1.854 117.777 119.914 -0.472 0.000 2.581 547 V HA 0.789 4.909 4.120 0.001 0.000 0.303 547 V C -0.254 175.479 176.094 -0.603 0.000 1.041 547 V CA -0.539 61.183 62.300 -0.964 0.000 0.907 547 V CB 2.058 33.023 31.823 -1.429 0.000 0.994 547 V HN 0.110 nan 8.190 nan 0.000 0.442 548 S N 2.553 117.834 115.700 -0.698 0.000 2.596 548 S HA 0.742 5.212 4.470 0.001 0.000 0.270 548 S C -1.614 172.805 174.600 -0.301 0.000 1.155 548 S CA -0.770 57.290 58.200 -0.232 0.000 0.827 548 S CB 1.943 65.115 63.200 -0.048 0.000 1.130 548 S HN 0.939 nan 8.310 nan 0.000 0.467 549 W N 0.813 122.199 121.300 0.144 0.000 2.739 549 W HA 0.520 5.180 4.660 0.001 0.000 0.331 549 W C -0.197 176.381 176.519 0.098 0.000 1.049 549 W CA -0.483 56.951 57.345 0.149 0.000 1.234 549 W CB 2.260 31.821 29.460 0.169 0.000 1.404 549 W HN 0.748 nan 8.180 nan 0.000 0.477 550 Q N 0.000 119.948 119.800 0.247 0.000 2.315 550 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 550 Q CA 0.000 55.899 55.803 0.160 0.000 1.022 550 Q CB 0.000 28.794 28.738 0.093 0.000 1.108 550 Q HN 0.000 nan 8.270 nan 0.000 0.481