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 2zyk_1_D DATA FIRST_RESID 17 DATA SEQUENCE KPDKLVVWEN ADDGVQLNNT KKWAGEFTKK TGIQVEVVPV ALLKQQEKLT DATA SEQUENCE LDGPAGKGAD LVTWPHDRLG EAVTKGLLQP IQVDNSVKNQ FDDVAMKALT DATA SEQUENCE YGGKLYGLPK AIESVALIYN KKLMGQVPAT YDELFQYAKA NNKPDEQKYG DATA SEQUENCE VLFEANNFYY TYFLFAAKGA AVFKEQDGTL DPNEIGLNSP EAVQGMNEVQ DATA SEQUENCE KWFTEARLPQ SLKADTVNGL FKSGKVAAVI NGPWAIKDYQ AAGINVGVAP DATA SEQUENCE LPKIDGKDAQ TFIGVKGWYL SAYSKYPKYA TELMQFLTSK EALASRFKET DATA SEQUENCE GEIPPQKELL NDPMIKNNPV VNGFAKQASK GVPMPSIPEM GVVWEPINNA DATA SEQUENCE HTFVAQGKQT PEQALNDAVK IMKEKIQTMK Q 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.579 176.600 -0.036 0.000 0.988 17 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 17 K CB 0.000 32.474 32.500 -0.043 0.000 1.064 18 P HA 0.037 nan 4.420 nan 0.000 0.249 18 P C -0.037 177.233 177.300 -0.051 0.000 1.229 18 P CA 0.046 63.137 63.100 -0.015 0.000 0.788 18 P CB 0.402 32.115 31.700 0.021 0.000 1.072 19 D N 2.297 122.631 120.400 -0.110 0.000 2.356 19 D HA 0.013 4.653 4.640 -0.000 0.000 0.272 19 D C 0.010 176.171 176.300 -0.231 0.000 1.337 19 D CA 0.437 54.289 54.000 -0.246 0.000 0.970 19 D CB 0.413 41.026 40.800 -0.312 0.000 1.092 19 D HN 0.404 nan 8.370 nan 0.000 0.516 20 K N 2.617 122.890 120.400 -0.211 0.000 2.482 20 K HA 0.559 4.879 4.320 -0.000 0.000 0.257 20 K C -1.349 175.164 176.600 -0.145 0.000 0.969 20 K CA -0.983 55.216 56.287 -0.146 0.000 0.842 20 K CB 1.376 33.838 32.500 -0.063 0.000 1.359 20 K HN 0.174 nan 8.250 nan 0.000 0.441 21 L N 1.703 122.864 121.223 -0.103 0.000 2.346 21 L HA 0.523 4.862 4.340 -0.000 0.000 0.274 21 L C -0.905 175.935 176.870 -0.050 0.000 1.007 21 L CA -1.359 53.437 54.840 -0.073 0.000 0.818 21 L CB 2.221 44.214 42.059 -0.110 0.000 1.284 21 L HN 0.417 nan 8.230 nan 0.000 0.424 22 V N 3.415 123.305 119.914 -0.041 0.000 2.435 22 V HA 0.483 4.602 4.120 -0.000 0.000 0.290 22 V C -0.241 175.794 176.094 -0.100 0.000 1.030 22 V CA -0.612 61.669 62.300 -0.032 0.000 0.881 22 V CB 2.006 33.827 31.823 -0.003 0.000 0.983 22 V HN 0.408 nan 8.190 nan 0.000 0.445 23 V N 3.629 123.527 119.914 -0.026 0.000 2.531 23 V HA 0.469 4.589 4.120 -0.000 0.000 0.301 23 V C -1.132 175.132 176.094 0.283 0.000 1.034 23 V CA -0.721 61.569 62.300 -0.017 0.000 0.865 23 V CB 2.139 33.871 31.823 -0.151 0.000 0.995 23 V HN 0.835 nan 8.190 nan 0.000 0.424 24 W N 3.067 124.465 121.300 0.164 0.000 2.316 24 W HA 0.676 5.336 4.660 -0.000 0.000 0.308 24 W C 0.170 176.862 176.519 0.290 0.000 1.106 24 W CA -0.886 56.576 57.345 0.195 0.000 1.262 24 W CB 1.003 30.575 29.460 0.186 0.000 1.233 24 W HN 0.586 nan 8.180 nan 0.000 0.447 25 E N 1.993 122.451 120.200 0.429 0.000 2.235 25 E HA 0.254 4.604 4.350 -0.000 0.000 0.265 25 E C -0.290 176.401 176.600 0.151 0.000 0.940 25 E CA -0.862 55.723 56.400 0.308 0.000 0.819 25 E CB 0.859 30.753 29.700 0.323 0.000 1.206 25 E HN 0.263 nan 8.360 nan 0.000 0.409 26 N N 1.247 119.984 118.700 0.062 0.000 2.353 26 N HA 0.049 4.789 4.740 -0.000 0.000 0.248 26 N C -0.984 174.531 175.510 0.008 0.000 1.240 26 N CA 0.807 53.860 53.050 0.006 0.000 0.862 26 N CB 0.604 39.062 38.487 -0.049 0.000 1.086 26 N HN 0.483 nan 8.380 nan 0.000 0.453 27 A N 2.794 125.603 122.820 -0.018 0.000 3.157 27 A HA 0.118 4.438 4.320 -0.000 0.000 0.276 27 A C 0.247 177.819 177.584 -0.019 0.000 1.524 27 A CA -0.495 51.530 52.037 -0.019 0.000 1.236 27 A CB -0.467 18.508 19.000 -0.042 0.000 1.173 27 A HN 0.786 nan 8.150 nan 0.000 0.595 28 D N 0.141 120.537 120.400 -0.008 0.000 2.363 28 D HA -0.008 4.632 4.640 -0.000 0.000 0.214 28 D C 0.166 176.470 176.300 0.007 0.000 1.093 28 D CA 0.144 54.140 54.000 -0.006 0.000 0.837 28 D CB -0.130 40.665 40.800 -0.008 0.000 0.948 28 D HN 0.339 nan 8.370 nan 0.000 0.507 29 D N -0.492 119.915 120.400 0.011 0.000 2.701 29 D HA -0.149 4.491 4.640 -0.000 0.000 0.235 29 D C 0.580 176.893 176.300 0.022 0.000 1.155 29 D CA 1.584 55.593 54.000 0.016 0.000 0.649 29 D CB -1.032 39.774 40.800 0.011 0.000 1.050 29 D HN 0.564 nan 8.370 nan 0.000 0.425 30 G N -2.446 106.369 108.800 0.026 0.000 2.667 30 G HA2 0.069 4.029 3.960 -0.000 0.000 0.081 30 G HA3 0.069 4.029 3.960 -0.000 0.000 0.081 30 G C 0.794 175.715 174.900 0.035 0.000 1.105 30 G CA 0.135 45.253 45.100 0.029 0.000 1.326 30 G HN 0.347 nan 8.290 nan 0.000 0.603 31 V N 1.352 121.283 119.914 0.029 0.000 2.252 31 V HA -0.230 3.889 4.120 -0.000 0.000 0.249 31 V C 2.933 179.052 176.094 0.042 0.000 1.056 31 V CA 3.126 65.443 62.300 0.029 0.000 1.022 31 V CB -0.620 31.209 31.823 0.011 0.000 0.641 31 V HN 0.618 nan 8.190 nan 0.000 0.445 32 Q N -1.403 118.417 119.800 0.034 0.000 2.123 32 Q HA -0.137 4.203 4.340 -0.000 0.000 0.199 32 Q C 2.165 178.211 176.000 0.075 0.000 0.966 32 Q CA 1.319 57.145 55.803 0.038 0.000 0.845 32 Q CB -0.178 28.562 28.738 0.004 0.000 0.907 32 Q HN 0.513 nan 8.270 nan 0.000 0.439 33 L N 0.969 122.235 121.223 0.071 0.000 2.109 33 L HA -0.110 4.229 4.340 -0.000 0.000 0.207 33 L C 1.800 178.736 176.870 0.111 0.000 1.086 33 L CA 1.729 56.626 54.840 0.095 0.000 0.760 33 L CB -0.443 41.657 42.059 0.069 0.000 0.910 33 L HN 0.136 nan 8.230 nan 0.000 0.437 34 N N -0.647 118.110 118.700 0.094 0.000 2.188 34 N HA -0.235 4.505 4.740 -0.000 0.000 0.184 34 N C 1.854 177.448 175.510 0.140 0.000 1.018 34 N CA 1.388 54.496 53.050 0.095 0.000 0.858 34 N CB -0.257 38.272 38.487 0.070 0.000 0.989 34 N HN 0.407 nan 8.380 nan 0.000 0.426 35 N N -0.812 117.991 118.700 0.172 0.000 2.142 35 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 35 N C 0.895 176.635 175.510 0.382 0.000 1.023 35 N CA 1.500 54.714 53.050 0.275 0.000 0.852 35 N CB -0.096 38.527 38.487 0.226 0.000 0.998 35 N HN 0.265 nan 8.380 nan 0.000 0.424 36 T N 0.972 115.707 114.554 0.302 0.000 2.904 36 T HA 0.012 4.362 4.350 -0.000 0.000 0.267 36 T C 1.826 176.682 174.700 0.260 0.000 1.059 36 T CA 0.784 63.084 62.100 0.333 0.000 1.137 36 T CB 0.090 69.186 68.868 0.380 0.000 0.879 36 T HN 0.285 nan 8.240 nan 0.000 0.467 37 K N 1.094 121.611 120.400 0.195 0.000 2.057 37 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 37 K C 2.393 179.062 176.600 0.114 0.000 1.050 37 K CA 0.939 57.306 56.287 0.134 0.000 0.935 37 K CB -0.064 32.495 32.500 0.098 0.000 0.715 37 K HN 0.166 nan 8.250 nan 0.000 0.439 38 K N 0.237 120.703 120.400 0.110 0.000 1.987 38 K HA -0.204 4.116 4.320 -0.000 0.000 0.216 38 K C 1.884 178.467 176.600 -0.029 0.000 1.051 38 K CA 1.966 58.245 56.287 -0.013 0.000 0.942 38 K CB -0.186 32.270 32.500 -0.073 0.000 0.722 38 K HN 0.204 nan 8.250 nan 0.000 0.444 39 W N 0.296 121.685 121.300 0.149 0.000 2.402 39 W HA -0.021 4.639 4.660 -0.000 0.000 0.286 39 W C 2.323 179.014 176.519 0.285 0.000 1.221 39 W CA 0.982 58.470 57.345 0.237 0.000 1.257 39 W CB -0.310 29.270 29.460 0.200 0.000 1.120 39 W HN 0.246 nan 8.180 nan 0.000 0.551 40 A N 0.163 123.181 122.820 0.330 0.000 2.019 40 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 40 A C 2.209 179.882 177.584 0.147 0.000 1.164 40 A CA 1.725 53.866 52.037 0.173 0.000 0.644 40 A CB -1.202 17.840 19.000 0.069 0.000 0.805 40 A HN 0.301 nan 8.150 nan 0.000 0.449 41 G N -1.299 107.571 108.800 0.115 0.000 2.777 41 G HA2 0.082 4.042 3.960 -0.000 0.000 0.211 41 G HA3 0.082 4.042 3.960 -0.000 0.000 0.211 41 G C 1.282 176.202 174.900 0.033 0.000 1.149 41 G CA 0.870 46.000 45.100 0.050 0.000 0.785 41 G HN 0.509 nan 8.290 nan 0.000 0.536 42 E N -0.280 119.976 120.200 0.095 0.000 2.250 42 E HA 0.131 4.481 4.350 -0.000 0.000 0.192 42 E C 1.619 178.270 176.600 0.084 0.000 0.986 42 E CA -0.073 56.395 56.400 0.115 0.000 0.849 42 E CB -0.267 29.507 29.700 0.123 0.000 0.797 42 E HN 0.326 nan 8.360 nan 0.000 0.482 43 F N -0.058 119.764 119.950 -0.212 0.000 2.367 43 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 43 F C 1.867 177.459 175.800 -0.346 0.000 1.094 43 F CA 1.244 58.845 58.000 -0.666 0.000 1.409 43 F CB 0.077 38.691 39.000 -0.643 0.000 1.064 43 F HN -0.032 nan 8.300 nan 0.000 0.528 44 T N 0.376 114.885 114.554 -0.076 0.000 2.851 44 T HA -0.120 4.230 4.350 -0.000 0.000 0.262 44 T C 1.900 176.505 174.700 -0.158 0.000 1.043 44 T CA 1.179 63.212 62.100 -0.112 0.000 1.140 44 T CB -0.098 68.750 68.868 -0.033 0.000 0.872 44 T HN 0.175 nan 8.240 nan 0.000 0.446 45 K N 1.224 121.554 120.400 -0.117 0.000 2.015 45 K HA -0.195 4.125 4.320 -0.000 0.000 0.216 45 K C 2.385 178.894 176.600 -0.152 0.000 1.052 45 K CA 1.516 57.740 56.287 -0.105 0.000 0.937 45 K CB -0.186 32.276 32.500 -0.064 0.000 0.719 45 K HN 0.222 nan 8.250 nan 0.000 0.446 46 K N 0.349 120.620 120.400 -0.215 0.000 1.985 46 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 46 K C 2.251 178.662 176.600 -0.315 0.000 1.047 46 K CA 2.108 58.247 56.287 -0.246 0.000 0.932 46 K CB -0.070 32.249 32.500 -0.301 0.000 0.716 46 K HN 0.343 nan 8.250 nan 0.000 0.439 47 T N -3.910 110.342 114.554 -0.503 0.000 3.051 47 T HA 0.182 4.532 4.350 -0.000 0.000 0.255 47 T C 1.415 175.924 174.700 -0.318 0.000 1.085 47 T CA 0.730 62.543 62.100 -0.480 0.000 1.109 47 T CB 0.379 68.763 68.868 -0.807 0.000 0.921 47 T HN 0.448 nan 8.240 nan 0.000 0.488 48 G N 1.673 110.312 108.800 -0.270 0.000 2.184 48 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.264 48 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.264 48 G C 0.091 174.883 174.900 -0.181 0.000 0.975 48 G CA 0.227 45.215 45.100 -0.186 0.000 0.642 48 G HN 0.683 nan 8.290 nan 0.000 0.536 49 I N 1.802 122.238 120.570 -0.222 0.000 2.452 49 I HA 0.168 4.337 4.170 -0.000 0.000 0.287 49 I C 0.599 176.669 176.117 -0.079 0.000 1.079 49 I CA -0.485 60.711 61.300 -0.175 0.000 1.387 49 I CB 0.866 38.762 38.000 -0.174 0.000 1.404 49 I HN 0.029 nan 8.210 nan 0.000 0.522 50 Q N 5.701 125.449 119.800 -0.087 0.000 2.297 50 Q HA 0.248 4.588 4.340 -0.000 0.000 0.267 50 Q C -0.614 175.368 176.000 -0.030 0.000 1.006 50 Q CA -0.048 55.726 55.803 -0.048 0.000 0.896 50 Q CB 1.592 30.298 28.738 -0.053 0.000 1.186 50 Q HN 0.391 nan 8.270 nan 0.000 0.392 51 V N 2.803 122.715 119.914 -0.002 0.000 2.409 51 V HA 0.238 4.358 4.120 -0.000 0.000 0.291 51 V C 0.091 176.187 176.094 0.003 0.000 1.020 51 V CA -0.715 61.576 62.300 -0.014 0.000 0.848 51 V CB 1.768 33.576 31.823 -0.025 0.000 0.990 51 V HN 0.667 nan 8.190 nan 0.000 0.430 52 E N 3.797 124.003 120.200 0.010 0.000 2.146 52 E HA 0.511 4.861 4.350 -0.000 0.000 0.282 52 E C -1.354 175.290 176.600 0.073 0.000 0.989 52 E CA -0.464 55.963 56.400 0.044 0.000 0.799 52 E CB 1.819 31.553 29.700 0.057 0.000 1.088 52 E HN 0.513 nan 8.360 nan 0.000 0.397 53 V N 5.150 125.117 119.914 0.088 0.000 2.370 53 V HA 0.248 4.367 4.120 -0.000 0.000 0.279 53 V C -0.159 176.024 176.094 0.148 0.000 1.029 53 V CA -0.744 61.634 62.300 0.130 0.000 0.870 53 V CB 1.382 33.278 31.823 0.121 0.000 0.984 53 V HN 0.442 nan 8.190 nan 0.000 0.451 54 V N 7.464 127.508 119.914 0.217 0.000 2.384 54 V HA 0.393 4.513 4.120 -0.000 0.000 0.287 54 V C -2.249 173.897 176.094 0.086 0.000 1.020 54 V CA -2.012 60.379 62.300 0.151 0.000 0.850 54 V CB 1.940 33.883 31.823 0.200 0.000 0.987 54 V HN 0.726 nan 8.190 nan 0.000 0.436 55 P HA 0.256 nan 4.420 nan 0.000 0.276 55 P C -0.851 176.397 177.300 -0.087 0.000 1.264 55 P CA 0.031 63.131 63.100 0.001 0.000 0.769 55 P CB 1.216 32.915 31.700 -0.001 0.000 0.840 56 V N 3.493 123.356 119.914 -0.084 0.000 2.524 56 V HA 0.422 4.542 4.120 -0.000 0.000 0.297 56 V C 0.418 176.464 176.094 -0.081 0.000 1.035 56 V CA -1.222 60.972 62.300 -0.177 0.000 0.867 56 V CB 1.722 33.303 31.823 -0.402 0.000 1.004 56 V HN 0.656 nan 8.190 nan 0.000 0.426 57 A N 3.919 126.681 122.820 -0.097 0.000 2.573 57 A HA 0.174 4.494 4.320 -0.000 0.000 0.250 57 A C 1.322 178.871 177.584 -0.058 0.000 1.049 57 A CA 0.255 52.244 52.037 -0.080 0.000 0.767 57 A CB -0.095 18.847 19.000 -0.097 0.000 0.965 57 A HN 1.141 nan 8.150 nan 0.000 0.514 58 L N 3.084 124.277 121.223 -0.050 0.000 2.034 58 L HA -0.234 4.105 4.340 -0.000 0.000 0.217 58 L C 1.842 178.704 176.870 -0.013 0.000 1.077 58 L CA 2.271 57.103 54.840 -0.013 0.000 0.769 58 L CB -0.261 41.743 42.059 -0.091 0.000 0.890 58 L HN 0.757 nan 8.230 nan 0.000 0.435 59 L N -1.446 119.710 121.223 -0.113 0.000 2.612 59 L HA 0.020 4.360 4.340 -0.000 0.000 0.230 59 L C 1.765 178.528 176.870 -0.178 0.000 1.140 59 L CA 0.247 54.981 54.840 -0.175 0.000 0.896 59 L CB -0.276 41.636 42.059 -0.245 0.000 1.065 59 L HN 0.184 nan 8.230 nan 0.000 0.447 60 K N -0.965 119.358 120.400 -0.129 0.000 2.373 60 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 60 K C 1.684 178.224 176.600 -0.100 0.000 1.054 60 K CA -0.116 56.092 56.287 -0.131 0.000 1.065 60 K CB 0.488 32.913 32.500 -0.124 0.000 0.886 60 K HN 0.228 nan 8.250 nan 0.000 0.546 61 Q N 1.022 120.817 119.800 -0.007 0.000 2.050 61 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 61 Q C 2.107 178.195 176.000 0.146 0.000 0.980 61 Q CA 1.598 57.529 55.803 0.213 0.000 0.840 61 Q CB 0.028 29.102 28.738 0.561 0.000 0.898 61 Q HN 0.333 nan 8.270 nan 0.000 0.424 62 Q N 0.914 120.466 119.800 -0.413 0.000 2.045 62 Q HA -0.277 4.063 4.340 -0.000 0.000 0.206 62 Q C 1.955 177.779 176.000 -0.293 0.000 0.991 62 Q CA 1.913 57.214 55.803 -0.838 0.000 0.851 62 Q CB -0.031 27.863 28.738 -1.407 0.000 0.911 62 Q HN 0.188 nan 8.270 nan 0.000 0.418 63 E N 0.760 120.824 120.200 -0.226 0.000 2.085 63 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 63 E C 1.760 178.342 176.600 -0.030 0.000 0.994 63 E CA 1.833 58.161 56.400 -0.120 0.000 0.801 63 E CB -0.168 29.459 29.700 -0.122 0.000 0.743 63 E HN 0.336 nan 8.360 nan 0.000 0.453 64 K N -0.574 119.831 120.400 0.008 0.000 2.097 64 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 64 K C 2.134 178.908 176.600 0.289 0.000 1.049 64 K CA 1.223 57.553 56.287 0.071 0.000 0.933 64 K CB -0.224 32.202 32.500 -0.124 0.000 0.717 64 K HN 0.216 nan 8.250 nan 0.000 0.442 65 L N 0.780 122.239 121.223 0.394 0.000 2.156 65 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 65 L C 1.935 178.894 176.870 0.148 0.000 1.095 65 L CA 1.673 56.715 54.840 0.337 0.000 0.770 65 L CB -0.446 41.831 42.059 0.363 0.000 0.914 65 L HN 0.145 nan 8.230 nan 0.000 0.439 66 T N -0.424 114.183 114.554 0.087 0.000 2.737 66 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 66 T C 1.765 176.462 174.700 -0.005 0.000 1.040 66 T CA 1.938 64.058 62.100 0.033 0.000 1.142 66 T CB -0.272 68.592 68.868 -0.006 0.000 0.861 66 T HN 0.240 nan 8.240 nan 0.000 0.456 67 L N 0.412 121.643 121.223 0.014 0.000 2.056 67 L HA 0.041 4.381 4.340 -0.000 0.000 0.202 67 L C 2.122 178.983 176.870 -0.015 0.000 1.086 67 L CA 1.552 56.391 54.840 -0.002 0.000 0.758 67 L CB -0.142 41.925 42.059 0.014 0.000 0.912 67 L HN 0.022 nan 8.230 nan 0.000 0.446 68 D N -0.465 119.970 120.400 0.059 0.000 2.178 68 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 68 D C 1.963 178.219 176.300 -0.074 0.000 0.974 68 D CA 1.076 55.115 54.000 0.065 0.000 0.841 68 D CB -0.418 40.541 40.800 0.265 0.000 0.953 68 D HN 0.451 nan 8.370 nan 0.000 0.478 69 G N 1.848 110.541 108.800 -0.179 0.000 2.639 69 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 69 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 69 G C -0.668 173.644 174.900 -0.980 0.000 1.267 69 G CA 0.867 45.653 45.100 -0.523 0.000 0.801 69 G HN 0.274 nan 8.290 nan 0.000 0.592 70 P HA -0.006 nan 4.420 nan 0.000 0.223 70 P C 1.433 178.570 177.300 -0.271 0.000 1.144 70 P CA 1.629 64.311 63.100 -0.697 0.000 0.783 70 P CB -0.134 31.346 31.700 -0.366 0.000 0.771 71 A N -0.371 122.320 122.820 -0.214 0.000 2.238 71 A HA 0.399 4.719 4.320 -0.000 0.000 0.208 71 A C 1.656 179.204 177.584 -0.059 0.000 1.177 71 A CA 0.658 52.638 52.037 -0.094 0.000 0.804 71 A CB -1.336 17.630 19.000 -0.057 0.000 0.823 71 A HN 0.251 nan 8.150 nan 0.000 0.482 72 G N -0.691 108.061 108.800 -0.079 0.000 2.176 72 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.252 72 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.252 72 G C 0.571 175.474 174.900 0.005 0.000 1.024 72 G CA 0.662 45.748 45.100 -0.023 0.000 0.755 72 G HN 0.366 nan 8.290 nan 0.000 0.507 73 K N -0.330 120.076 120.400 0.010 0.000 2.520 73 K HA 0.246 4.565 4.320 -0.000 0.000 0.206 73 K C 1.310 177.980 176.600 0.116 0.000 1.122 73 K CA 0.393 56.720 56.287 0.066 0.000 1.045 73 K CB 1.011 33.558 32.500 0.078 0.000 0.932 73 K HN 0.478 nan 8.250 nan 0.000 0.571 74 G N 0.908 109.728 108.800 0.034 0.000 2.507 74 G HA2 0.466 4.426 3.960 -0.000 0.000 0.271 74 G HA3 0.466 4.426 3.960 -0.000 0.000 0.271 74 G C -0.148 174.582 174.900 -0.284 0.000 1.189 74 G CA -0.300 44.747 45.100 -0.088 0.000 0.859 74 G HN 0.159 nan 8.290 nan 0.000 0.542 75 A N 0.722 123.035 122.820 -0.846 0.000 2.425 75 A HA 0.280 4.600 4.320 -0.000 0.000 0.242 75 A C 1.221 178.572 177.584 -0.389 0.000 1.077 75 A CA -0.005 51.583 52.037 -0.749 0.000 0.781 75 A CB 0.294 18.424 19.000 -1.450 0.000 1.020 75 A HN 0.686 nan 8.150 nan 0.000 0.494 76 D N -0.239 120.029 120.400 -0.220 0.000 2.097 76 D HA -0.030 4.610 4.640 -0.000 0.000 0.197 76 D C -0.142 176.079 176.300 -0.131 0.000 0.984 76 D CA 1.382 55.313 54.000 -0.115 0.000 0.826 76 D CB -0.049 40.722 40.800 -0.048 0.000 0.973 76 D HN 0.232 nan 8.370 nan 0.000 0.460 77 L N 1.235 122.353 121.223 -0.175 0.000 2.325 77 L HA 0.257 4.597 4.340 -0.000 0.000 0.281 77 L C -0.022 176.864 176.870 0.028 0.000 1.004 77 L CA -0.894 53.881 54.840 -0.108 0.000 0.823 77 L CB 1.755 43.643 42.059 -0.285 0.000 1.236 77 L HN -0.181 nan 8.230 nan 0.000 0.415 78 V N 0.232 120.220 119.914 0.124 0.000 3.166 78 V HA 0.938 5.058 4.120 -0.000 0.000 0.317 78 V C -0.379 175.802 176.094 0.144 0.000 1.136 78 V CA -0.567 61.862 62.300 0.215 0.000 1.035 78 V CB 2.011 33.941 31.823 0.177 0.000 1.110 78 V HN 0.730 nan 8.190 nan 0.000 0.450 79 T N 1.838 116.430 114.554 0.064 0.000 2.993 79 T HA 0.748 5.098 4.350 -0.000 0.000 0.312 79 T C -1.829 172.914 174.700 0.071 0.000 1.115 79 T CA -0.162 61.805 62.100 -0.221 0.000 1.027 79 T CB 1.128 69.673 68.868 -0.539 0.000 1.116 79 T HN 1.493 nan 8.240 nan 0.000 0.464 80 W N 2.618 124.043 121.300 0.207 0.000 3.059 80 W HA 0.674 5.333 4.660 -0.000 0.000 0.329 80 W C -3.365 173.197 176.519 0.072 0.000 1.246 80 W CA -2.239 55.145 57.345 0.065 0.000 1.190 80 W CB -0.639 28.837 29.460 0.027 0.000 1.423 80 W HN 0.490 nan 8.180 nan 0.000 0.571 81 P HA 0.028 nan 4.420 nan 0.000 0.267 81 P C 0.764 178.184 177.300 0.199 0.000 1.200 81 P CA 0.609 63.764 63.100 0.092 0.000 0.772 81 P CB 0.414 32.041 31.700 -0.120 0.000 0.855 82 H N 1.601 120.744 119.070 0.121 0.000 2.456 82 H HA -0.173 4.383 4.556 -0.000 0.000 0.296 82 H C 1.271 176.661 175.328 0.103 0.000 1.079 82 H CA 1.529 57.664 56.048 0.144 0.000 1.322 82 H CB -0.650 29.172 29.762 0.100 0.000 1.388 82 H HN 0.383 nan 8.280 nan 0.000 0.538 83 D N 1.739 121.841 120.400 -0.496 0.000 2.172 83 D HA -0.270 4.370 4.640 -0.000 0.000 0.196 83 D C 1.644 177.908 176.300 -0.061 0.000 0.999 83 D CA 1.362 55.190 54.000 -0.286 0.000 0.856 83 D CB -0.471 40.243 40.800 -0.142 0.000 0.934 83 D HN 0.504 nan 8.370 nan 0.000 0.453 84 R N -0.498 119.992 120.500 -0.017 0.000 2.320 84 R HA 0.224 4.564 4.340 -0.000 0.000 0.211 84 R C 0.298 176.567 176.300 -0.052 0.000 0.931 84 R CA -0.581 55.486 56.100 -0.055 0.000 1.071 84 R CB 0.025 30.212 30.300 -0.188 0.000 1.025 84 R HN 0.142 nan 8.270 nan 0.000 0.495 85 L N -0.615 120.586 121.223 -0.036 0.000 2.436 85 L HA 0.277 4.616 4.340 -0.000 0.000 0.265 85 L C 1.244 177.855 176.870 -0.432 0.000 1.168 85 L CA 1.415 56.133 54.840 -0.202 0.000 0.815 85 L CB 1.145 43.109 42.059 -0.157 0.000 1.109 85 L HN 0.351 nan 8.230 nan 0.000 0.462 86 G N 2.090 110.426 108.800 -0.772 0.000 2.956 86 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.210 86 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.210 86 G C 1.061 175.545 174.900 -0.694 0.000 1.316 86 G CA 0.480 44.741 45.100 -1.399 0.000 0.819 86 G HN 0.750 nan 8.290 nan 0.000 0.544 87 E N 1.511 121.475 120.200 -0.393 0.000 2.118 87 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 87 E C 2.703 179.182 176.600 -0.202 0.000 0.992 87 E CA 2.005 58.268 56.400 -0.228 0.000 0.804 87 E CB -0.335 29.266 29.700 -0.165 0.000 0.741 87 E HN 0.919 nan 8.360 nan 0.000 0.458 88 A N 0.521 123.211 122.820 -0.218 0.000 1.929 88 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 88 A C 2.358 179.855 177.584 -0.145 0.000 1.176 88 A CA 1.192 53.154 52.037 -0.125 0.000 0.628 88 A CB -0.377 18.635 19.000 0.020 0.000 0.816 88 A HN 0.221 nan 8.150 nan 0.000 0.444 89 V N -0.554 119.185 119.914 -0.292 0.000 2.379 89 V HA -0.186 3.933 4.120 -0.000 0.000 0.245 89 V C 2.698 178.740 176.094 -0.087 0.000 1.044 89 V CA 2.354 64.513 62.300 -0.235 0.000 1.036 89 V CB -1.267 30.328 31.823 -0.379 0.000 0.664 89 V HN 0.556 nan 8.190 nan 0.000 0.453 90 T N -0.040 114.447 114.554 -0.112 0.000 2.699 90 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 90 T C 1.608 176.295 174.700 -0.021 0.000 1.036 90 T CA 1.576 63.654 62.100 -0.037 0.000 1.147 90 T CB -0.257 68.576 68.868 -0.059 0.000 0.862 90 T HN 0.450 nan 8.240 nan 0.000 0.446 91 K N 0.491 120.870 120.400 -0.035 0.000 2.476 91 K HA 0.305 4.625 4.320 -0.000 0.000 0.196 91 K C 1.152 177.768 176.600 0.028 0.000 1.025 91 K CA 0.185 56.469 56.287 -0.004 0.000 1.138 91 K CB 0.159 32.650 32.500 -0.016 0.000 0.860 91 K HN 0.361 nan 8.250 nan 0.000 0.515 92 G N 1.596 110.401 108.800 0.008 0.000 2.283 92 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.280 92 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.280 92 G C 0.536 175.429 174.900 -0.012 0.000 1.029 92 G CA 0.141 45.237 45.100 -0.006 0.000 0.840 92 G HN 0.330 nan 8.290 nan 0.000 0.505 93 L N -1.698 119.556 121.223 0.052 0.000 2.270 93 L HA 0.351 4.690 4.340 -0.000 0.000 0.210 93 L C 1.467 178.394 176.870 0.095 0.000 1.104 93 L CA 0.726 55.654 54.840 0.148 0.000 0.804 93 L CB -0.052 42.127 42.059 0.199 0.000 0.937 93 L HN 0.289 nan 8.230 nan 0.000 0.450 94 L N -0.589 120.668 121.223 0.057 0.000 2.354 94 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 94 L C -0.677 176.305 176.870 0.186 0.000 1.008 94 L CA -0.666 54.238 54.840 0.106 0.000 0.819 94 L CB 2.047 44.164 42.059 0.096 0.000 1.339 94 L HN 0.030 nan 8.230 nan 0.000 0.420 95 Q N 1.201 121.104 119.800 0.172 0.000 2.387 95 Q HA 0.630 4.970 4.340 -0.000 0.000 0.273 95 Q C -2.801 173.179 176.000 -0.033 0.000 1.089 95 Q CA -2.123 53.747 55.803 0.111 0.000 0.824 95 Q CB 2.253 30.987 28.738 -0.008 0.000 1.367 95 Q HN 0.211 nan 8.270 nan 0.000 0.443 96 P HA 0.077 nan 4.420 nan 0.000 0.271 96 P C -0.509 176.657 177.300 -0.224 0.000 1.233 96 P CA -0.035 62.740 63.100 -0.541 0.000 0.789 96 P CB 0.511 31.891 31.700 -0.534 0.000 0.951 97 I N -2.412 118.047 120.570 -0.184 0.000 2.603 97 I HA 0.527 4.697 4.170 -0.000 0.000 0.300 97 I C -0.536 175.533 176.117 -0.081 0.000 1.017 97 I CA -1.333 59.911 61.300 -0.094 0.000 1.098 97 I CB 1.830 39.797 38.000 -0.055 0.000 1.279 97 I HN 0.020 nan 8.210 nan 0.000 0.437 98 Q N 4.451 124.219 119.800 -0.054 0.000 2.400 98 Q HA 0.572 4.912 4.340 -0.000 0.000 0.255 98 Q C -0.772 175.219 176.000 -0.016 0.000 1.008 98 Q CA -0.519 55.261 55.803 -0.039 0.000 0.841 98 Q CB 1.904 30.618 28.738 -0.040 0.000 1.220 98 Q HN 0.659 nan 8.270 nan 0.000 0.474 99 V N -1.308 118.605 119.914 -0.001 0.000 2.680 99 V HA 0.561 4.681 4.120 -0.000 0.000 0.309 99 V C -0.202 175.906 176.094 0.024 0.000 1.052 99 V CA -1.201 61.113 62.300 0.023 0.000 0.908 99 V CB 2.069 33.925 31.823 0.055 0.000 1.001 99 V HN 0.518 nan 8.190 nan 0.000 0.431 100 D N 2.843 123.258 120.400 0.025 0.000 2.548 100 D HA -0.079 4.560 4.640 -0.000 0.000 0.231 100 D C 1.132 177.445 176.300 0.022 0.000 1.142 100 D CA 0.986 54.997 54.000 0.018 0.000 0.866 100 D CB 0.613 41.423 40.800 0.016 0.000 1.190 100 D HN 0.892 nan 8.370 nan 0.000 0.469 101 N N 1.161 119.868 118.700 0.012 0.000 2.132 101 N HA -0.249 4.491 4.740 -0.000 0.000 0.191 101 N C 1.651 177.164 175.510 0.005 0.000 1.015 101 N CA 2.107 55.163 53.050 0.011 0.000 0.864 101 N CB 0.099 38.588 38.487 0.003 0.000 1.006 101 N HN 0.369 nan 8.380 nan 0.000 0.430 102 S N -1.221 114.477 115.700 -0.003 0.000 2.383 102 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 102 S C 2.069 176.646 174.600 -0.038 0.000 1.026 102 S CA 1.276 59.463 58.200 -0.021 0.000 0.981 102 S CB -0.715 62.474 63.200 -0.019 0.000 0.818 102 S HN 0.119 nan 8.310 nan 0.000 0.472 103 V N 3.475 123.384 119.914 -0.009 0.000 2.307 103 V HA -0.130 3.989 4.120 -0.000 0.000 0.245 103 V C 2.866 178.980 176.094 0.032 0.000 1.045 103 V CA 1.952 64.251 62.300 -0.001 0.000 1.024 103 V CB -0.813 31.058 31.823 0.080 0.000 0.651 103 V HN 0.577 nan 8.190 nan 0.000 0.449 104 K N 1.262 121.726 120.400 0.106 0.000 2.063 104 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 104 K C 1.635 178.302 176.600 0.111 0.000 1.048 104 K CA 2.377 58.771 56.287 0.178 0.000 0.928 104 K CB -0.782 31.782 32.500 0.107 0.000 0.713 104 K HN 0.587 nan 8.250 nan 0.000 0.442 105 N N 0.590 119.296 118.700 0.010 0.000 2.443 105 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 105 N C 1.616 177.063 175.510 -0.104 0.000 1.037 105 N CA 0.702 53.734 53.050 -0.029 0.000 0.896 105 N CB 0.048 38.513 38.487 -0.038 0.000 0.959 105 N HN 0.411 nan 8.380 nan 0.000 0.442 106 Q N -0.525 119.122 119.800 -0.255 0.000 2.435 106 Q HA 0.027 4.367 4.340 -0.000 0.000 0.207 106 Q C -0.494 175.177 176.000 -0.548 0.000 0.956 106 Q CA 0.511 56.033 55.803 -0.468 0.000 0.917 106 Q CB 0.294 28.617 28.738 -0.692 0.000 0.997 106 Q HN 0.264 nan 8.270 nan 0.000 0.497 107 F N 0.358 120.289 119.950 -0.031 0.000 2.470 107 F HA 0.197 4.724 4.527 -0.000 0.000 0.329 107 F C 0.388 176.169 175.800 -0.031 0.000 1.072 107 F CA -1.938 56.041 58.000 -0.035 0.000 0.989 107 F CB 0.724 39.703 39.000 -0.035 0.000 1.193 107 F HN -0.209 nan 8.300 nan 0.000 0.481 108 D N 1.525 122.029 120.400 0.173 0.000 2.525 108 D HA -0.053 4.587 4.640 -0.000 0.000 0.235 108 D C 0.822 177.162 176.300 0.066 0.000 1.137 108 D CA 0.390 54.437 54.000 0.078 0.000 0.868 108 D CB 0.669 41.500 40.800 0.051 0.000 1.180 108 D HN 0.427 nan 8.370 nan 0.000 0.465 109 D N 2.804 123.229 120.400 0.042 0.000 2.092 109 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 109 D C 2.104 178.418 176.300 0.023 0.000 0.994 109 D CA 1.002 55.023 54.000 0.035 0.000 0.828 109 D CB -0.232 40.584 40.800 0.026 0.000 0.963 109 D HN 0.271 nan 8.370 nan 0.000 0.450 110 V N 1.683 121.605 119.914 0.014 0.000 2.332 110 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 110 V C 2.571 178.643 176.094 -0.038 0.000 1.055 110 V CA 1.917 64.215 62.300 -0.003 0.000 1.038 110 V CB -0.874 30.950 31.823 0.002 0.000 0.651 110 V HN 0.197 nan 8.190 nan 0.000 0.450 111 A N -0.539 122.261 122.820 -0.033 0.000 1.902 111 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 111 A C 2.208 179.750 177.584 -0.070 0.000 1.181 111 A CA 2.063 54.059 52.037 -0.070 0.000 0.623 111 A CB -0.438 18.536 19.000 -0.044 0.000 0.818 111 A HN 0.419 nan 8.150 nan 0.000 0.443 112 M N -0.510 119.078 119.600 -0.020 0.000 2.229 112 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 112 M C 2.033 178.341 176.300 0.014 0.000 1.063 112 M CA 1.526 56.823 55.300 -0.006 0.000 1.114 112 M CB -1.098 31.527 32.600 0.041 0.000 1.387 112 M HN 0.513 nan 8.290 nan 0.000 0.420 113 K N 0.369 120.776 120.400 0.012 0.000 2.147 113 K HA -0.067 4.252 4.320 -0.000 0.000 0.205 113 K C 1.851 178.470 176.600 0.031 0.000 1.049 113 K CA 1.358 57.662 56.287 0.028 0.000 0.936 113 K CB 0.084 32.599 32.500 0.025 0.000 0.722 113 K HN 0.246 nan 8.250 nan 0.000 0.446 114 A N 0.346 123.141 122.820 -0.041 0.000 2.014 114 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 114 A C 1.444 179.062 177.584 0.056 0.000 1.163 114 A CA 0.848 52.824 52.037 -0.102 0.000 0.652 114 A CB -0.006 18.681 19.000 -0.522 0.000 0.808 114 A HN 0.225 nan 8.150 nan 0.000 0.449 115 L N 0.265 121.528 121.223 0.068 0.000 2.685 115 L HA 0.209 4.549 4.340 -0.000 0.000 0.233 115 L C 0.033 177.046 176.870 0.238 0.000 1.173 115 L CA 0.715 55.657 54.840 0.170 0.000 0.961 115 L CB -0.211 41.898 42.059 0.082 0.000 1.217 115 L HN 0.038 nan 8.230 nan 0.000 0.478 116 T N -0.458 114.221 114.554 0.209 0.000 2.792 116 T HA 0.463 4.813 4.350 -0.000 0.000 0.280 116 T C -1.458 173.422 174.700 0.300 0.000 0.990 116 T CA -0.323 61.923 62.100 0.245 0.000 0.960 116 T CB 1.433 70.381 68.868 0.132 0.000 0.939 116 T HN 0.006 nan 8.240 nan 0.000 0.439 117 Y N 0.956 121.388 120.300 0.220 0.000 2.396 117 Y HA 0.486 5.036 4.550 -0.000 0.000 0.332 117 Y C 0.549 176.544 175.900 0.158 0.000 1.034 117 Y CA -0.231 57.938 58.100 0.116 0.000 1.057 117 Y CB 1.286 39.725 38.460 -0.034 0.000 1.220 117 Y HN 0.860 nan 8.280 nan 0.000 0.440 118 G N 3.155 111.596 108.800 -0.598 0.000 2.198 118 G HA2 0.024 3.983 3.960 -0.000 0.000 0.260 118 G HA3 0.024 3.983 3.960 -0.000 0.000 0.260 118 G C 1.046 175.864 174.900 -0.137 0.000 1.025 118 G CA 0.873 45.700 45.100 -0.454 0.000 0.769 118 G HN 2.216 nan 8.290 nan 0.000 0.507 119 G N -1.586 107.176 108.800 -0.064 0.000 2.179 119 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 119 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 119 G C 0.249 175.157 174.900 0.013 0.000 0.977 119 G CA 1.199 46.289 45.100 -0.015 0.000 0.641 119 G HN 1.193 nan 8.290 nan 0.000 0.533 120 K N -0.285 120.154 120.400 0.064 0.000 2.259 120 K HA 0.665 4.985 4.320 -0.000 0.000 0.252 120 K C -0.555 176.042 176.600 -0.005 0.000 0.936 120 K CA -1.172 55.105 56.287 -0.016 0.000 0.810 120 K CB 2.541 34.974 32.500 -0.112 0.000 1.143 120 K HN 0.086 nan 8.250 nan 0.000 0.427 121 L N 2.665 123.828 121.223 -0.100 0.000 2.367 121 L HA 0.119 4.459 4.340 -0.000 0.000 0.275 121 L C -0.382 176.377 176.870 -0.186 0.000 1.129 121 L CA 0.613 55.426 54.840 -0.045 0.000 0.839 121 L CB 0.037 42.074 42.059 -0.037 0.000 1.133 121 L HN 0.640 nan 8.230 nan 0.000 0.453 122 Y N 3.441 123.789 120.300 0.080 0.000 2.444 122 Y HA 0.543 5.092 4.550 -0.000 0.000 0.252 122 Y C 1.133 177.127 175.900 0.156 0.000 1.091 122 Y CA 0.262 58.434 58.100 0.119 0.000 1.276 122 Y CB 0.935 39.477 38.460 0.137 0.000 1.170 122 Y HN 0.695 nan 8.280 nan 0.000 0.517 123 G N -0.493 108.407 108.800 0.166 0.000 2.550 123 G HA2 0.542 4.502 3.960 -0.000 0.000 0.293 123 G HA3 0.542 4.502 3.960 -0.000 0.000 0.293 123 G C -2.179 172.617 174.900 -0.173 0.000 1.402 123 G CA -0.868 44.212 45.100 -0.033 0.000 0.784 123 G HN -0.098 nan 8.290 nan 0.000 0.482 124 L N 1.732 122.787 121.223 -0.280 0.000 2.341 124 L HA 0.481 4.820 4.340 -0.000 0.000 0.278 124 L C -2.165 174.391 176.870 -0.524 0.000 1.005 124 L CA -2.046 52.486 54.840 -0.513 0.000 0.818 124 L CB 2.763 44.531 42.059 -0.486 0.000 1.259 124 L HN 0.308 nan 8.230 nan 0.000 0.418 125 P HA 0.139 nan 4.420 nan 0.000 0.271 125 P C -0.638 176.480 177.300 -0.305 0.000 1.216 125 P CA -0.285 62.574 63.100 -0.402 0.000 0.776 125 P CB 1.474 32.997 31.700 -0.294 0.000 0.881 126 K N 1.138 121.366 120.400 -0.288 0.000 2.335 126 K HA 0.412 4.732 4.320 -0.000 0.000 0.195 126 K C 0.531 177.054 176.600 -0.128 0.000 1.058 126 K CA 0.284 56.438 56.287 -0.221 0.000 0.988 126 K CB 0.699 32.970 32.500 -0.383 0.000 0.880 126 K HN 0.584 nan 8.250 nan 0.000 0.513 127 A N 1.271 124.014 122.820 -0.128 0.000 2.594 127 A HA 0.573 4.892 4.320 -0.000 0.000 0.296 127 A C -1.930 175.628 177.584 -0.044 0.000 1.061 127 A CA -0.703 51.297 52.037 -0.061 0.000 0.689 127 A CB 1.168 20.137 19.000 -0.053 0.000 1.280 127 A HN 0.173 nan 8.150 nan 0.000 0.406 128 I N 1.278 121.842 120.570 -0.009 0.000 2.545 128 I HA 0.744 4.914 4.170 -0.000 0.000 0.292 128 I C -0.656 175.482 176.117 0.035 0.000 1.040 128 I CA -0.169 61.139 61.300 0.012 0.000 1.068 128 I CB 1.599 39.601 38.000 0.004 0.000 1.251 128 I HN 0.886 nan 8.210 nan 0.000 0.424 129 E N 5.098 125.347 120.200 0.081 0.000 2.390 129 E HA 0.597 4.947 4.350 -0.000 0.000 0.277 129 E C -1.874 174.815 176.600 0.149 0.000 0.939 129 E CA -0.878 55.578 56.400 0.094 0.000 0.769 129 E CB 2.099 31.925 29.700 0.209 0.000 1.251 129 E HN 0.440 nan 8.360 nan 0.000 0.450 130 S N 1.097 116.847 115.700 0.084 0.000 2.541 130 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 130 S C -0.603 174.009 174.600 0.020 0.000 1.133 130 S CA -0.401 57.862 58.200 0.106 0.000 0.876 130 S CB 1.482 64.740 63.200 0.097 0.000 1.105 130 S HN 0.862 nan 8.310 nan 0.000 0.470 131 V N 2.091 121.997 119.914 -0.013 0.000 2.843 131 V HA 0.873 4.993 4.120 -0.000 0.000 0.305 131 V C 0.572 176.675 176.094 0.015 0.000 1.065 131 V CA 0.413 62.672 62.300 -0.070 0.000 1.116 131 V CB 0.104 31.848 31.823 -0.131 0.000 0.968 131 V HN 1.262 nan 8.190 nan 0.000 0.487 132 A N 3.582 126.447 122.820 0.074 0.000 2.701 132 A HA 0.837 5.157 4.320 -0.000 0.000 0.290 132 A C -0.829 176.674 177.584 -0.134 0.000 1.267 132 A CA -0.869 51.118 52.037 -0.083 0.000 0.709 132 A CB 1.053 19.933 19.000 -0.200 0.000 1.352 132 A HN 1.199 nan 8.150 nan 0.000 0.519 133 L N 1.435 122.558 121.223 -0.167 0.000 2.282 133 L HA 0.508 4.848 4.340 -0.000 0.000 0.287 133 L C -0.922 175.922 176.870 -0.043 0.000 1.075 133 L CA 0.015 54.802 54.840 -0.088 0.000 0.839 133 L CB -0.419 41.606 42.059 -0.055 0.000 1.219 133 L HN 0.403 nan 8.230 nan 0.000 0.434 134 I N 6.323 126.859 120.570 -0.056 0.000 2.342 134 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 134 I C -0.571 175.564 176.117 0.030 0.000 1.010 134 I CA -0.662 60.590 61.300 -0.080 0.000 1.308 134 I CB 0.464 38.417 38.000 -0.079 0.000 1.400 134 I HN 0.558 nan 8.210 nan 0.000 0.488 135 Y N 3.878 124.219 120.300 0.069 0.000 2.570 135 Y HA 0.515 5.065 4.550 -0.000 0.000 0.345 135 Y C -0.468 175.652 175.900 0.365 0.000 1.014 135 Y CA -1.480 56.758 58.100 0.229 0.000 1.063 135 Y CB 0.876 39.390 38.460 0.090 0.000 1.272 135 Y HN 0.431 nan 8.280 nan 0.000 0.477 136 N N 2.388 121.382 118.700 0.490 0.000 2.469 136 N HA 0.126 4.866 4.740 -0.000 0.000 0.239 136 N C 0.168 175.791 175.510 0.189 0.000 1.053 136 N CA -0.040 53.102 53.050 0.153 0.000 0.937 136 N CB 0.881 39.281 38.487 -0.147 0.000 1.163 136 N HN 0.874 nan 8.380 nan 0.000 0.509 137 K N 1.925 122.410 120.400 0.142 0.000 2.218 137 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 137 K C 1.151 177.819 176.600 0.114 0.000 1.046 137 K CA 1.289 57.682 56.287 0.175 0.000 0.933 137 K CB 0.157 32.707 32.500 0.084 0.000 0.728 137 K HN 0.604 nan 8.250 nan 0.000 0.454 138 K N 0.169 120.604 120.400 0.059 0.000 2.476 138 K HA 0.050 4.370 4.320 -0.000 0.000 0.196 138 K C 1.121 177.743 176.600 0.038 0.000 1.025 138 K CA 0.430 56.739 56.287 0.036 0.000 1.138 138 K CB 0.372 32.878 32.500 0.010 0.000 0.860 138 K HN 0.102 nan 8.250 nan 0.000 0.515 139 L N -0.530 120.731 121.223 0.064 0.000 2.758 139 L HA 0.361 4.701 4.340 -0.000 0.000 0.234 139 L C 0.613 177.546 176.870 0.104 0.000 1.049 139 L CA -0.295 54.591 54.840 0.076 0.000 0.908 139 L CB 0.479 42.580 42.059 0.070 0.000 1.362 139 L HN 0.163 nan 8.230 nan 0.000 0.499 140 M N 0.099 119.765 119.600 0.111 0.000 2.167 140 M HA 0.374 4.853 4.480 -0.000 0.000 0.333 140 M C 0.927 177.220 176.300 -0.013 0.000 1.030 140 M CA -0.282 55.027 55.300 0.014 0.000 0.963 140 M CB 1.889 34.444 32.600 -0.076 0.000 1.589 140 M HN 0.084 nan 8.290 nan 0.000 0.431 141 G N 2.830 111.601 108.800 -0.049 0.000 2.556 141 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.215 141 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.215 141 G C 0.051 174.896 174.900 -0.092 0.000 1.258 141 G CA 0.683 45.762 45.100 -0.035 0.000 0.811 141 G HN 0.551 nan 8.290 nan 0.000 0.557 142 Q N -0.662 119.038 119.800 -0.167 0.000 2.394 142 Q HA 0.477 4.816 4.340 -0.000 0.000 0.273 142 Q C -0.105 175.683 176.000 -0.353 0.000 1.089 142 Q CA -0.756 54.911 55.803 -0.227 0.000 0.812 142 Q CB 2.276 30.937 28.738 -0.128 0.000 1.353 142 Q HN 0.435 nan 8.270 nan 0.000 0.438 143 V N 1.702 121.354 119.914 -0.436 0.000 2.694 143 V HA 0.324 4.444 4.120 -0.000 0.000 0.306 143 V C -1.995 173.939 176.094 -0.267 0.000 1.054 143 V CA -1.271 60.776 62.300 -0.422 0.000 1.161 143 V CB -0.570 31.045 31.823 -0.345 0.000 0.916 143 V HN 0.763 nan 8.190 nan 0.000 0.490 144 P HA 0.166 nan 4.420 nan 0.000 0.266 144 P C 0.562 177.804 177.300 -0.097 0.000 1.195 144 P CA 0.455 63.457 63.100 -0.163 0.000 0.768 144 P CB 1.031 32.642 31.700 -0.149 0.000 0.838 145 A N 2.794 125.578 122.820 -0.060 0.000 1.930 145 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 145 A C 1.139 178.724 177.584 0.001 0.000 1.176 145 A CA 1.652 53.670 52.037 -0.033 0.000 0.632 145 A CB -0.776 18.209 19.000 -0.025 0.000 0.819 145 A HN 0.678 nan 8.150 nan 0.000 0.445 146 T N -5.990 108.577 114.554 0.022 0.000 2.942 146 T HA 0.440 4.790 4.350 -0.000 0.000 0.289 146 T C 0.548 175.321 174.700 0.122 0.000 1.044 146 T CA -0.158 61.986 62.100 0.073 0.000 1.023 146 T CB 0.959 69.868 68.868 0.068 0.000 1.123 146 T HN 0.268 nan 8.240 nan 0.000 0.512 147 Y N 0.949 121.296 120.300 0.078 0.000 2.274 147 Y HA -0.103 4.447 4.550 -0.001 0.000 0.290 147 Y C 1.750 177.750 175.900 0.167 0.000 1.145 147 Y CA 1.889 60.079 58.100 0.149 0.000 1.203 147 Y CB -0.295 38.275 38.460 0.184 0.000 0.984 147 Y HN 0.698 nan 8.280 nan 0.000 0.533 148 D N 0.337 120.762 120.400 0.042 0.000 2.117 148 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 148 D C 1.899 178.187 176.300 -0.020 0.000 0.987 148 D CA 1.818 55.801 54.000 -0.029 0.000 0.829 148 D CB -0.243 40.577 40.800 0.034 0.000 0.961 148 D HN 0.584 nan 8.370 nan 0.000 0.460 149 E N -0.076 120.126 120.200 0.004 0.000 2.107 149 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 149 E C 2.110 178.723 176.600 0.021 0.000 0.982 149 E CA 0.132 56.540 56.400 0.014 0.000 0.809 149 E CB -0.052 29.651 29.700 0.005 0.000 0.756 149 E HN 0.130 nan 8.360 nan 0.000 0.459 150 L N 0.482 121.705 121.223 -0.001 0.000 2.046 150 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 150 L C 2.112 179.007 176.870 0.041 0.000 1.077 150 L CA 1.548 56.411 54.840 0.038 0.000 0.747 150 L CB -0.427 41.684 42.059 0.086 0.000 0.896 150 L HN 0.028 nan 8.230 nan 0.000 0.432 151 F N -0.336 119.426 119.950 -0.313 0.000 2.146 151 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 151 F C 2.456 178.096 175.800 -0.267 0.000 1.096 151 F CA 1.488 59.215 58.000 -0.455 0.000 1.275 151 F CB -0.170 38.393 39.000 -0.727 0.000 1.008 151 F HN 0.169 nan 8.300 nan 0.000 0.480 152 Q N -0.785 118.984 119.800 -0.052 0.000 2.124 152 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 152 Q C 2.047 177.996 176.000 -0.085 0.000 0.977 152 Q CA 1.636 57.401 55.803 -0.063 0.000 0.850 152 Q CB -1.151 27.594 28.738 0.011 0.000 0.901 152 Q HN 0.611 nan 8.270 nan 0.000 0.429 153 Y N 1.167 121.389 120.300 -0.131 0.000 2.181 153 Y HA -0.214 4.335 4.550 -0.001 0.000 0.288 153 Y C 2.249 178.086 175.900 -0.106 0.000 1.146 153 Y CA 1.629 59.675 58.100 -0.090 0.000 1.164 153 Y CB -0.288 38.145 38.460 -0.045 0.000 0.982 153 Y HN 0.108 nan 8.280 nan 0.000 0.515 154 A N 0.029 122.796 122.820 -0.089 0.000 1.898 154 A HA -0.197 4.122 4.320 -0.000 0.000 0.216 154 A C 2.252 179.649 177.584 -0.312 0.000 1.181 154 A CA 1.812 53.758 52.037 -0.152 0.000 0.620 154 A CB -0.720 18.197 19.000 -0.138 0.000 0.819 154 A HN 0.483 nan 8.150 nan 0.000 0.442 155 K N -0.494 119.621 120.400 -0.476 0.000 2.074 155 K HA -0.143 4.176 4.320 -0.000 0.000 0.209 155 K C 2.010 178.466 176.600 -0.239 0.000 1.048 155 K CA 1.366 57.424 56.287 -0.381 0.000 0.926 155 K CB -0.252 32.035 32.500 -0.355 0.000 0.713 155 K HN 0.435 nan 8.250 nan 0.000 0.444 156 A N 0.187 122.861 122.820 -0.243 0.000 2.021 156 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 156 A C 1.164 178.603 177.584 -0.241 0.000 1.163 156 A CA 1.295 53.204 52.037 -0.214 0.000 0.676 156 A CB -0.112 18.769 19.000 -0.199 0.000 0.818 156 A HN 0.431 nan 8.150 nan 0.000 0.453 157 N N -0.515 117.999 118.700 -0.309 0.000 2.181 157 N HA 0.068 4.807 4.740 -0.000 0.000 0.207 157 N C -0.713 174.674 175.510 -0.204 0.000 1.182 157 N CA -0.287 52.594 53.050 -0.281 0.000 0.893 157 N CB 0.269 38.509 38.487 -0.413 0.000 1.032 157 N HN 0.161 nan 8.380 nan 0.000 0.513 158 N N 1.706 120.311 118.700 -0.157 0.000 2.406 158 N HA 0.089 4.829 4.740 -0.000 0.000 0.265 158 N C -0.732 174.629 175.510 -0.248 0.000 1.203 158 N CA 0.487 53.452 53.050 -0.143 0.000 0.945 158 N CB 0.533 39.068 38.487 0.080 0.000 1.165 158 N HN 0.109 nan 8.380 nan 0.000 0.485 159 K N 3.420 123.564 120.400 -0.427 0.000 2.624 159 K HA 0.229 4.548 4.320 -0.000 0.000 0.200 159 K C -1.670 174.671 176.600 -0.431 0.000 1.036 159 K CA -1.443 54.653 56.287 -0.318 0.000 1.029 159 K CB 2.053 34.421 32.500 -0.221 0.000 1.317 159 K HN 0.256 nan 8.250 nan 0.000 0.555 160 P HA -0.188 nan 4.420 nan 0.000 0.218 160 P C 0.234 177.490 177.300 -0.074 0.000 1.148 160 P CA 1.183 64.168 63.100 -0.192 0.000 0.822 160 P CB 0.420 32.161 31.700 0.069 0.000 0.784 161 D N 0.516 120.875 120.400 -0.069 0.000 2.144 161 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 161 D C 1.588 177.862 176.300 -0.043 0.000 0.984 161 D CA 1.134 55.113 54.000 -0.035 0.000 0.834 161 D CB -0.341 40.440 40.800 -0.031 0.000 0.955 161 D HN 0.516 nan 8.370 nan 0.000 0.465 162 E N 0.170 120.321 120.200 -0.082 0.000 2.465 162 E HA 0.138 4.488 4.350 -0.000 0.000 0.195 162 E C -0.112 176.444 176.600 -0.073 0.000 1.028 162 E CA -0.113 56.246 56.400 -0.069 0.000 0.899 162 E CB 0.031 29.687 29.700 -0.072 0.000 1.032 162 E HN 0.044 nan 8.360 nan 0.000 0.468 163 Q N 0.473 120.223 119.800 -0.084 0.000 2.480 163 Q HA -0.215 4.125 4.340 -0.000 0.000 0.265 163 Q C -0.958 175.029 176.000 -0.021 0.000 1.072 163 Q CA 1.096 56.899 55.803 -0.000 0.000 1.018 163 Q CB -1.545 27.232 28.738 0.066 0.000 1.433 163 Q HN 0.326 nan 8.270 nan 0.000 0.513 164 K N 0.278 120.534 120.400 -0.240 0.000 2.270 164 K HA 0.671 4.991 4.320 -0.000 0.000 0.255 164 K C -1.024 175.339 176.600 -0.395 0.000 0.936 164 K CA -0.554 55.636 56.287 -0.161 0.000 0.809 164 K CB 1.372 33.803 32.500 -0.116 0.000 1.131 164 K HN -0.007 nan 8.250 nan 0.000 0.427 165 Y N -0.842 119.481 120.300 0.038 0.000 2.492 165 Y HA 0.264 4.814 4.550 -0.000 0.000 0.346 165 Y C 1.181 177.128 175.900 0.078 0.000 0.997 165 Y CA -0.955 57.178 58.100 0.055 0.000 1.025 165 Y CB 2.210 40.732 38.460 0.103 0.000 1.263 165 Y HN 0.797 nan 8.280 nan 0.000 0.454 166 G N 0.834 109.741 108.800 0.178 0.000 2.394 166 G HA2 0.145 4.104 3.960 -0.000 0.000 0.215 166 G HA3 0.145 4.104 3.960 -0.000 0.000 0.215 166 G C -0.269 174.898 174.900 0.445 0.000 1.165 166 G CA 0.617 45.855 45.100 0.230 0.000 0.784 166 G HN 0.321 nan 8.290 nan 0.000 0.535 167 V N 0.434 120.591 119.914 0.405 0.000 2.612 167 V HA 0.558 4.677 4.120 -0.000 0.000 0.301 167 V C -1.387 174.924 176.094 0.361 0.000 1.059 167 V CA -0.704 61.840 62.300 0.408 0.000 0.886 167 V CB 1.877 34.002 31.823 0.504 0.000 1.007 167 V HN 0.199 nan 8.190 nan 0.000 0.426 168 L N 6.896 128.253 121.223 0.223 0.000 2.410 168 L HA 0.980 5.320 4.340 -0.000 0.000 0.270 168 L C -1.066 175.891 176.870 0.145 0.000 0.983 168 L CA -0.162 54.696 54.840 0.031 0.000 0.822 168 L CB 1.719 43.620 42.059 -0.263 0.000 1.285 168 L HN 0.677 nan 8.230 nan 0.000 0.409 169 F N 0.869 120.694 119.950 -0.208 0.000 2.779 169 F HA 0.500 5.027 4.527 -0.001 0.000 0.316 169 F C -0.686 174.974 175.800 -0.234 0.000 1.164 169 F CA -1.056 56.828 58.000 -0.193 0.000 0.924 169 F CB 1.039 39.959 39.000 -0.134 0.000 1.348 169 F HN 0.450 nan 8.300 nan 0.000 0.467 170 E N 1.262 121.230 120.200 -0.385 0.000 2.053 170 E HA 0.343 4.692 4.350 -0.000 0.000 0.297 170 E C 0.677 177.012 176.600 -0.442 0.000 1.173 170 E CA 0.160 56.284 56.400 -0.459 0.000 1.219 170 E CB 0.333 29.640 29.700 -0.655 0.000 1.103 170 E HN 0.697 nan 8.360 nan 0.000 0.476 171 A N 2.955 125.333 122.820 -0.737 0.000 2.239 171 A HA -0.121 4.199 4.320 -0.000 0.000 0.209 171 A C 1.380 179.134 177.584 0.284 0.000 1.171 171 A CA 0.448 52.151 52.037 -0.556 0.000 0.768 171 A CB -0.138 18.226 19.000 -1.059 0.000 0.790 171 A HN 0.449 nan 8.150 nan 0.000 0.478 172 N N -0.476 118.394 118.700 0.283 0.000 2.270 172 N HA 0.008 4.748 4.740 -0.000 0.000 0.198 172 N C -0.289 175.241 175.510 0.034 0.000 1.117 172 N CA -0.094 53.123 53.050 0.278 0.000 0.845 172 N CB -0.274 38.311 38.487 0.164 0.000 0.980 172 N HN 0.229 nan 8.380 nan 0.000 0.486 173 N N 0.516 119.229 118.700 0.022 0.000 2.479 173 N HA 0.117 4.856 4.740 -0.000 0.000 0.261 173 N C -0.318 175.318 175.510 0.210 0.000 0.979 173 N CA -0.653 52.456 53.050 0.098 0.000 0.930 173 N CB 0.585 39.179 38.487 0.177 0.000 1.172 173 N HN -0.065 nan 8.380 nan 0.000 0.499 174 F N 4.736 124.661 119.950 -0.043 0.000 2.202 174 F HA -0.193 4.334 4.527 -0.001 0.000 0.301 174 F C 1.644 177.792 175.800 0.581 0.000 1.082 174 F CA 1.277 59.381 58.000 0.173 0.000 1.313 174 F CB -0.293 38.804 39.000 0.163 0.000 1.024 174 F HN 0.688 nan 8.300 nan 0.000 0.495 175 Y N -0.440 120.182 120.300 0.536 0.000 2.207 175 Y HA -0.316 4.234 4.550 -0.000 0.000 0.287 175 Y C 1.812 177.896 175.900 0.306 0.000 1.156 175 Y CA 2.174 60.527 58.100 0.421 0.000 1.182 175 Y CB -0.877 37.658 38.460 0.124 0.000 0.979 175 Y HN 0.156 nan 8.280 nan 0.000 0.521 176 Y N -0.685 119.748 120.300 0.221 0.000 2.314 176 Y HA -0.067 4.483 4.550 -0.000 0.000 0.294 176 Y C 2.720 178.819 175.900 0.332 0.000 1.119 176 Y CA 1.636 59.880 58.100 0.241 0.000 1.179 176 Y CB -0.783 37.930 38.460 0.421 0.000 1.025 176 Y HN 0.207 nan 8.280 nan 0.000 0.541 177 T N -2.995 111.855 114.554 0.495 0.000 3.148 177 T HA -0.139 4.210 4.350 -0.000 0.000 0.253 177 T C 1.621 176.478 174.700 0.263 0.000 1.134 177 T CA 0.222 62.585 62.100 0.439 0.000 1.051 177 T CB -0.862 68.395 68.868 0.647 0.000 0.959 177 T HN 0.373 nan 8.240 nan 0.000 0.525 178 Y N 2.964 123.206 120.300 -0.097 0.000 2.139 178 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 178 Y C 1.682 177.492 175.900 -0.151 0.000 1.179 178 Y CA 1.698 59.555 58.100 -0.405 0.000 1.161 178 Y CB -0.848 36.950 38.460 -1.104 0.000 0.970 178 Y HN 0.449 nan 8.280 nan 0.000 0.511 179 F N -1.057 118.724 119.950 -0.281 0.000 2.408 179 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 179 F C 1.419 177.047 175.800 -0.287 0.000 1.090 179 F CA 1.128 58.931 58.000 -0.328 0.000 1.427 179 F CB -1.013 37.868 39.000 -0.199 0.000 1.070 179 F HN 0.039 nan 8.300 nan 0.000 0.549 180 L N -1.140 119.496 121.223 -0.977 0.000 2.240 180 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 180 L C 2.007 178.556 176.870 -0.535 0.000 1.106 180 L CA 0.712 55.060 54.840 -0.820 0.000 0.793 180 L CB -0.629 40.987 42.059 -0.737 0.000 0.927 180 L HN 0.119 nan 8.230 nan 0.000 0.446 181 F N -0.115 119.601 119.950 -0.391 0.000 2.234 181 F HA -0.005 4.522 4.527 -0.000 0.000 0.296 181 F C 2.585 178.173 175.800 -0.353 0.000 1.089 181 F CA 0.906 58.742 58.000 -0.272 0.000 1.343 181 F CB -0.669 38.268 39.000 -0.105 0.000 1.040 181 F HN -0.047 nan 8.300 nan 0.000 0.498 182 A N 0.114 122.685 122.820 -0.415 0.000 1.969 182 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 182 A C 2.361 179.828 177.584 -0.196 0.000 1.169 182 A CA 1.457 53.271 52.037 -0.371 0.000 0.635 182 A CB -1.182 17.478 19.000 -0.567 0.000 0.810 182 A HN 0.275 nan 8.150 nan 0.000 0.445 183 A N -0.401 122.294 122.820 -0.210 0.000 2.019 183 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 183 A C 1.849 179.357 177.584 -0.126 0.000 1.164 183 A CA 1.537 53.483 52.037 -0.151 0.000 0.644 183 A CB -0.196 18.691 19.000 -0.188 0.000 0.805 183 A HN 0.334 nan 8.150 nan 0.000 0.449 184 K N -1.322 118.994 120.400 -0.140 0.000 2.404 184 K HA 0.194 4.513 4.320 -0.000 0.000 0.194 184 K C 0.959 177.525 176.600 -0.057 0.000 1.023 184 K CA 0.712 56.937 56.287 -0.103 0.000 1.094 184 K CB 0.064 32.487 32.500 -0.129 0.000 0.841 184 K HN 0.782 nan 8.250 nan 0.000 0.523 185 G N 1.256 110.027 108.800 -0.049 0.000 2.132 185 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.228 185 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.228 185 G C 0.070 174.976 174.900 0.011 0.000 1.000 185 G CA 0.152 45.243 45.100 -0.015 0.000 0.693 185 G HN 0.494 nan 8.290 nan 0.000 0.515 186 A N -0.635 122.196 122.820 0.017 0.000 2.325 186 A HA 1.090 5.410 4.320 -0.000 0.000 0.333 186 A C 0.378 178.016 177.584 0.090 0.000 1.155 186 A CA 0.572 52.652 52.037 0.072 0.000 0.814 186 A CB 1.650 20.736 19.000 0.143 0.000 1.206 186 A HN 2.119 nan 8.150 nan 0.000 0.482 187 A N 0.580 123.471 122.820 0.118 0.000 2.527 187 A HA 0.659 4.979 4.320 -0.000 0.000 0.293 187 A C 0.968 178.612 177.584 0.099 0.000 1.117 187 A CA 0.044 52.188 52.037 0.179 0.000 0.723 187 A CB 0.338 19.443 19.000 0.175 0.000 1.313 187 A HN 1.821 nan 8.150 nan 0.000 0.411 188 V N -1.705 118.255 119.914 0.077 0.000 2.237 188 V HA 0.069 4.188 4.120 -0.000 0.000 0.245 188 V C 0.610 176.383 176.094 -0.536 0.000 1.046 188 V CA 1.238 63.355 62.300 -0.305 0.000 1.007 188 V CB -1.235 30.313 31.823 -0.458 0.000 0.638 188 V HN 0.559 nan 8.190 nan 0.000 0.445 189 F N 0.369 120.366 119.950 0.078 0.000 2.482 189 F HA 0.627 5.154 4.527 -0.000 0.000 0.331 189 F C 0.409 176.249 175.800 0.065 0.000 1.115 189 F CA -1.239 56.792 58.000 0.051 0.000 0.955 189 F CB 1.345 40.368 39.000 0.038 0.000 1.136 189 F HN -0.133 nan 8.300 nan 0.000 0.452 190 K N 1.960 122.489 120.400 0.215 0.000 2.440 190 K HA 0.074 4.394 4.320 -0.000 0.000 0.270 190 K C -0.186 176.499 176.600 0.141 0.000 0.980 190 K CA -0.043 56.331 56.287 0.143 0.000 0.953 190 K CB 0.389 32.951 32.500 0.104 0.000 0.925 190 K HN 0.700 nan 8.250 nan 0.000 0.497 191 E N 2.046 122.311 120.200 0.110 0.000 2.129 191 E HA 0.058 4.408 4.350 -0.000 0.000 0.268 191 E C -0.093 176.548 176.600 0.069 0.000 0.900 191 E CA -0.637 55.821 56.400 0.096 0.000 0.755 191 E CB 1.804 31.564 29.700 0.100 0.000 1.117 191 E HN 0.433 nan 8.360 nan 0.000 0.410 192 Q N 3.056 122.891 119.800 0.058 0.000 2.622 192 Q HA -0.038 4.301 4.340 -0.000 0.000 0.208 192 Q C 0.747 176.771 176.000 0.039 0.000 0.911 192 Q CA 1.610 57.438 55.803 0.043 0.000 0.893 192 Q CB 0.180 28.938 28.738 0.034 0.000 1.124 192 Q HN 0.714 nan 8.270 nan 0.000 0.634 193 D N -0.132 120.290 120.400 0.036 0.000 2.388 193 D HA 0.355 4.995 4.640 -0.000 0.000 0.221 193 D C 0.594 176.920 176.300 0.044 0.000 1.133 193 D CA 0.526 54.545 54.000 0.032 0.000 0.831 193 D CB 0.185 40.997 40.800 0.020 0.000 0.962 193 D HN 0.412 nan 8.370 nan 0.000 0.502 194 G N 0.513 109.349 108.800 0.060 0.000 2.352 194 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.324 194 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.324 194 G C 0.151 175.114 174.900 0.106 0.000 1.249 194 G CA -0.189 44.960 45.100 0.083 0.000 1.053 194 G HN 0.433 nan 8.290 nan 0.000 0.492 195 T N -0.639 114.000 114.554 0.142 0.000 3.792 195 T HA 0.468 4.818 4.350 -0.000 0.000 0.233 195 T C 1.036 175.795 174.700 0.098 0.000 0.860 195 T CA 0.585 62.810 62.100 0.208 0.000 0.915 195 T CB -0.353 68.701 68.868 0.310 0.000 1.216 195 T HN 0.699 nan 8.240 nan 0.000 0.664 196 L N 0.312 121.552 121.223 0.028 0.000 3.168 196 L HA 0.419 4.759 4.340 -0.000 0.000 0.277 196 L C -0.434 176.386 176.870 -0.083 0.000 1.245 196 L CA -0.274 54.530 54.840 -0.060 0.000 1.035 196 L CB 0.496 42.545 42.059 -0.017 0.000 1.399 196 L HN 0.213 nan 8.230 nan 0.000 0.580 197 D N 0.224 120.594 120.400 -0.050 0.000 2.485 197 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 197 D C -1.643 174.613 176.300 -0.074 0.000 1.112 197 D CA -1.369 52.613 54.000 -0.029 0.000 0.911 197 D CB 1.391 42.216 40.800 0.042 0.000 1.019 197 D HN -0.099 nan 8.370 nan 0.000 0.516 198 P HA -0.171 nan 4.420 nan 0.000 0.205 198 P C 0.361 177.675 177.300 0.023 0.000 1.164 198 P CA 1.145 64.096 63.100 -0.247 0.000 0.938 198 P CB 0.219 31.824 31.700 -0.158 0.000 0.777 199 N N -0.511 118.212 118.700 0.039 0.000 2.485 199 N HA -0.030 4.710 4.740 -0.000 0.000 0.199 199 N C -0.144 175.424 175.510 0.096 0.000 1.236 199 N CA 0.457 53.554 53.050 0.079 0.000 0.852 199 N CB -0.507 38.004 38.487 0.040 0.000 1.018 199 N HN 0.209 nan 8.380 nan 0.000 0.457 200 E N 1.135 121.415 120.200 0.133 0.000 2.360 200 E HA 0.103 4.453 4.350 -0.000 0.000 0.253 200 E C -0.001 176.708 176.600 0.182 0.000 1.189 200 E CA -0.264 56.213 56.400 0.129 0.000 1.252 200 E CB 0.243 30.007 29.700 0.106 0.000 1.408 200 E HN 0.241 nan 8.360 nan 0.000 0.464 201 I N 0.367 121.021 120.570 0.140 0.000 2.556 201 I HA 0.067 4.236 4.170 -0.000 0.000 0.284 201 I C 1.453 177.570 176.117 0.000 0.000 1.114 201 I CA 0.283 61.604 61.300 0.034 0.000 1.418 201 I CB 0.674 38.655 38.000 -0.031 0.000 1.394 201 I HN 0.229 nan 8.210 nan 0.000 0.552 202 G N 5.391 114.170 108.800 -0.036 0.000 3.575 202 G HA2 0.237 4.197 3.960 -0.000 0.000 0.273 202 G HA3 0.237 4.197 3.960 -0.000 0.000 0.273 202 G C 0.803 175.691 174.900 -0.021 0.000 1.053 202 G CA -0.114 44.984 45.100 -0.003 0.000 0.803 202 G HN 0.440 nan 8.290 nan 0.000 0.528 203 L N 0.984 122.156 121.223 -0.085 0.000 2.591 203 L HA 0.221 4.561 4.340 -0.000 0.000 0.228 203 L C 1.699 178.542 176.870 -0.044 0.000 1.133 203 L CA 0.619 55.391 54.840 -0.114 0.000 0.880 203 L CB -0.412 41.477 42.059 -0.283 0.000 1.033 203 L HN 0.603 nan 8.230 nan 0.000 0.450 204 N N -2.805 115.884 118.700 -0.017 0.000 2.238 204 N HA 0.061 4.800 4.740 -0.000 0.000 0.235 204 N C 0.214 175.735 175.510 0.019 0.000 1.209 204 N CA -0.044 53.010 53.050 0.006 0.000 0.879 204 N CB 0.443 38.927 38.487 -0.005 0.000 1.136 204 N HN 0.087 nan 8.380 nan 0.000 0.517 205 S N 0.122 115.838 115.700 0.027 0.000 2.600 205 S HA 0.256 4.725 4.470 -0.000 0.000 0.265 205 S C -1.273 173.344 174.600 0.028 0.000 1.325 205 S CA -1.019 57.197 58.200 0.027 0.000 1.002 205 S CB 0.946 64.165 63.200 0.031 0.000 0.921 205 S HN -0.010 nan 8.310 nan 0.000 0.554 206 P HA -0.131 nan 4.420 nan 0.000 0.217 206 P C 0.859 178.160 177.300 0.002 0.000 1.148 206 P CA 1.325 64.429 63.100 0.007 0.000 0.828 206 P CB -0.008 31.693 31.700 0.002 0.000 0.783 207 E N 0.156 120.363 120.200 0.011 0.000 2.072 207 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 207 E C 2.284 178.897 176.600 0.022 0.000 0.985 207 E CA 1.536 57.939 56.400 0.005 0.000 0.801 207 E CB -0.989 28.720 29.700 0.016 0.000 0.750 207 E HN 0.197 nan 8.360 nan 0.000 0.452 208 A N 0.346 123.220 122.820 0.090 0.000 1.968 208 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 208 A C 2.382 180.046 177.584 0.134 0.000 1.169 208 A CA 0.844 53.020 52.037 0.233 0.000 0.638 208 A CB -0.428 18.717 19.000 0.242 0.000 0.812 208 A HN 0.133 nan 8.150 nan 0.000 0.446 209 V N -0.164 119.779 119.914 0.049 0.000 2.261 209 V HA -0.303 3.816 4.120 -0.000 0.000 0.246 209 V C 2.663 178.719 176.094 -0.064 0.000 1.047 209 V CA 2.236 64.540 62.300 0.007 0.000 1.015 209 V CB -0.790 31.036 31.823 0.004 0.000 0.642 209 V HN 0.663 nan 8.190 nan 0.000 0.446 210 Q N -0.255 119.497 119.800 -0.080 0.000 2.124 210 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 210 Q C 2.278 178.146 176.000 -0.220 0.000 0.977 210 Q CA 1.727 57.459 55.803 -0.118 0.000 0.850 210 Q CB -0.443 28.238 28.738 -0.095 0.000 0.901 210 Q HN 0.731 nan 8.270 nan 0.000 0.429 211 G N 0.927 109.526 108.800 -0.334 0.000 2.459 211 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.217 211 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.217 211 G C 1.285 175.680 174.900 -0.841 0.000 1.183 211 G CA 1.114 45.769 45.100 -0.741 0.000 0.776 211 G HN 0.324 nan 8.290 nan 0.000 0.552 212 M N 1.235 120.486 119.600 -0.583 0.000 2.279 212 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 212 M C 2.017 178.250 176.300 -0.112 0.000 1.062 212 M CA 1.422 56.581 55.300 -0.235 0.000 1.099 212 M CB -0.806 31.795 32.600 0.001 0.000 1.394 212 M HN 0.367 nan 8.290 nan 0.000 0.426 213 N N -0.690 117.938 118.700 -0.119 0.000 2.166 213 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 213 N C 1.578 177.056 175.510 -0.053 0.000 1.019 213 N CA 1.192 54.205 53.050 -0.062 0.000 0.856 213 N CB -0.115 38.328 38.487 -0.073 0.000 0.993 213 N HN 0.352 nan 8.380 nan 0.000 0.426 214 E N 0.672 120.804 120.200 -0.114 0.000 2.047 214 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 214 E C 1.903 178.610 176.600 0.177 0.000 0.987 214 E CA 0.589 56.954 56.400 -0.059 0.000 0.799 214 E CB -0.139 29.465 29.700 -0.160 0.000 0.752 214 E HN 0.055 nan 8.360 nan 0.000 0.449 215 V N 0.754 120.770 119.914 0.169 0.000 2.332 215 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 215 V C 2.517 178.914 176.094 0.505 0.000 1.055 215 V CA 2.249 64.791 62.300 0.402 0.000 1.038 215 V CB -0.578 31.438 31.823 0.321 0.000 0.651 215 V HN 0.380 nan 8.190 nan 0.000 0.450 216 Q N -0.034 119.965 119.800 0.332 0.000 2.124 216 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 216 Q C 2.251 178.461 176.000 0.351 0.000 0.977 216 Q CA 1.663 57.677 55.803 0.351 0.000 0.850 216 Q CB -0.065 28.777 28.738 0.173 0.000 0.901 216 Q HN 0.621 nan 8.270 nan 0.000 0.429 217 K N -0.769 119.765 120.400 0.224 0.000 2.209 217 K HA -0.175 4.144 4.320 -0.000 0.000 0.204 217 K C 1.499 178.274 176.600 0.291 0.000 1.048 217 K CA 1.266 57.652 56.287 0.165 0.000 0.940 217 K CB -0.139 32.279 32.500 -0.137 0.000 0.729 217 K HN 0.366 nan 8.250 nan 0.000 0.451 218 W N -0.124 121.352 121.300 0.294 0.000 2.425 218 W HA -0.062 4.598 4.660 0.000 0.000 0.277 218 W C 1.410 177.803 176.519 -0.209 0.000 1.231 218 W CA 0.693 58.077 57.345 0.065 0.000 1.248 218 W CB -0.067 29.293 29.460 -0.167 0.000 1.117 218 W HN -0.016 nan 8.180 nan 0.000 0.568 219 F N -3.072 117.078 119.950 0.333 0.000 2.656 219 F HA 0.122 4.648 4.527 -0.001 0.000 0.291 219 F C 2.257 178.149 175.800 0.152 0.000 1.122 219 F CA 0.827 58.953 58.000 0.211 0.000 1.427 219 F CB -0.638 38.465 39.000 0.172 0.000 1.125 219 F HN -0.389 nan 8.300 nan 0.000 0.583 220 T N -1.164 113.576 114.554 0.309 0.000 3.014 220 T HA 0.094 4.444 4.350 -0.000 0.000 0.250 220 T C 1.479 176.261 174.700 0.137 0.000 1.060 220 T CA 0.944 63.166 62.100 0.203 0.000 1.040 220 T CB 0.214 69.191 68.868 0.181 0.000 0.971 220 T HN 0.230 nan 8.240 nan 0.000 0.497 221 E N -0.124 120.155 120.200 0.133 0.000 2.564 221 E HA 0.336 4.685 4.350 -0.000 0.000 0.203 221 E C 1.689 178.245 176.600 -0.074 0.000 0.867 221 E CA 0.272 56.711 56.400 0.064 0.000 1.250 221 E CB 0.200 30.005 29.700 0.175 0.000 1.215 221 E HN 0.216 nan 8.360 nan 0.000 0.566 222 A N 2.151 124.874 122.820 -0.161 0.000 2.259 222 A HA -0.019 4.300 4.320 -0.000 0.000 0.208 222 A C 0.725 178.314 177.584 0.008 0.000 1.201 222 A CA 0.139 52.023 52.037 -0.254 0.000 0.824 222 A CB -0.799 17.912 19.000 -0.482 0.000 0.838 222 A HN 0.317 nan 8.150 nan 0.000 0.485 223 R N -0.680 119.860 120.500 0.066 0.000 3.266 223 R HA -0.185 4.155 4.340 -0.000 0.000 0.245 223 R C -1.009 175.421 176.300 0.217 0.000 0.941 223 R CA 0.552 56.733 56.100 0.135 0.000 0.638 223 R CB -2.718 27.630 30.300 0.080 0.000 1.019 223 R HN 0.422 nan 8.270 nan 0.000 0.462 224 L N 0.810 122.147 121.223 0.189 0.000 2.426 224 L HA 0.294 4.634 4.340 -0.000 0.000 0.271 224 L C -1.389 175.669 176.870 0.314 0.000 1.169 224 L CA -2.060 52.878 54.840 0.163 0.000 0.836 224 L CB 0.316 42.258 42.059 -0.194 0.000 1.112 224 L HN 0.045 nan 8.230 nan 0.000 0.465 225 P HA -0.007 nan 4.420 nan 0.000 0.269 225 P C 0.178 177.643 177.300 0.274 0.000 1.217 225 P CA -0.328 62.916 63.100 0.239 0.000 0.783 225 P CB 0.505 32.308 31.700 0.171 0.000 0.898 226 Q N 0.333 120.236 119.800 0.171 0.000 2.050 226 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 226 Q C 0.463 176.490 176.000 0.045 0.000 0.980 226 Q CA 1.718 57.567 55.803 0.077 0.000 0.840 226 Q CB -0.440 28.325 28.738 0.044 0.000 0.898 226 Q HN 0.364 nan 8.270 nan 0.000 0.424 227 S N 0.760 116.496 115.700 0.058 0.000 2.312 227 S HA 0.322 4.792 4.470 -0.000 0.000 0.211 227 S C 0.058 174.678 174.600 0.034 0.000 1.315 227 S CA -0.261 57.958 58.200 0.032 0.000 1.267 227 S CB 0.007 63.221 63.200 0.023 0.000 1.072 227 S HN 0.165 nan 8.310 nan 0.000 0.490 228 L N 2.806 124.059 121.223 0.050 0.000 2.483 228 L HA 0.217 4.557 4.340 -0.000 0.000 0.276 228 L C 0.355 177.216 176.870 -0.016 0.000 1.213 228 L CA 0.453 55.301 54.840 0.013 0.000 0.843 228 L CB 0.377 42.435 42.059 -0.002 0.000 1.107 228 L HN 0.381 nan 8.230 nan 0.000 0.487 229 K N 1.125 121.507 120.400 -0.029 0.000 2.556 229 K HA 0.581 4.901 4.320 -0.000 0.000 0.274 229 K C 0.152 176.732 176.600 -0.033 0.000 0.966 229 K CA -0.445 55.820 56.287 -0.038 0.000 0.865 229 K CB 1.372 33.859 32.500 -0.022 0.000 1.444 229 K HN 0.311 nan 8.250 nan 0.000 0.433 230 A N 0.629 123.431 122.820 -0.030 0.000 1.997 230 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 230 A C 1.338 178.957 177.584 0.059 0.000 1.172 230 A CA 2.220 54.268 52.037 0.017 0.000 0.645 230 A CB -0.852 18.175 19.000 0.045 0.000 0.813 230 A HN 0.830 nan 8.150 nan 0.000 0.454 231 D N -0.957 119.468 120.400 0.041 0.000 2.178 231 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 231 D C 2.012 178.351 176.300 0.065 0.000 0.974 231 D CA 1.695 55.730 54.000 0.059 0.000 0.841 231 D CB -0.377 40.446 40.800 0.039 0.000 0.953 231 D HN 0.444 nan 8.370 nan 0.000 0.478 232 T N 0.297 114.875 114.554 0.041 0.000 2.732 232 T HA -0.075 4.275 4.350 -0.000 0.000 0.261 232 T C 2.300 177.023 174.700 0.038 0.000 1.040 232 T CA 0.846 62.967 62.100 0.036 0.000 1.145 232 T CB -0.362 68.514 68.868 0.013 0.000 0.866 232 T HN -0.056 nan 8.240 nan 0.000 0.427 233 V N 2.942 122.868 119.914 0.020 0.000 2.252 233 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 233 V C 2.441 178.616 176.094 0.134 0.000 1.056 233 V CA 1.765 64.087 62.300 0.035 0.000 1.022 233 V CB -0.685 31.153 31.823 0.025 0.000 0.641 233 V HN 0.457 nan 8.190 nan 0.000 0.445 234 N N 0.741 119.559 118.700 0.196 0.000 2.142 234 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 234 N C 1.928 177.582 175.510 0.239 0.000 1.023 234 N CA 1.584 54.827 53.050 0.321 0.000 0.852 234 N CB -0.778 37.927 38.487 0.363 0.000 0.998 234 N HN 0.528 nan 8.380 nan 0.000 0.424 235 G N 1.644 110.541 108.800 0.161 0.000 2.446 235 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 235 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 235 G C 1.673 176.635 174.900 0.103 0.000 1.168 235 G CA 0.504 45.676 45.100 0.120 0.000 0.771 235 G HN 0.227 nan 8.290 nan 0.000 0.551 236 L N -1.085 120.204 121.223 0.109 0.000 2.109 236 L HA 0.123 4.463 4.340 -0.000 0.000 0.207 236 L C 2.534 179.461 176.870 0.095 0.000 1.086 236 L CA 0.545 55.450 54.840 0.110 0.000 0.760 236 L CB -0.376 41.769 42.059 0.144 0.000 0.910 236 L HN 0.200 nan 8.230 nan 0.000 0.437 237 F N 1.127 121.043 119.950 -0.056 0.000 2.134 237 F HA -0.198 4.328 4.527 -0.000 0.000 0.299 237 F C 2.428 178.107 175.800 -0.202 0.000 1.097 237 F CA 1.580 59.476 58.000 -0.173 0.000 1.264 237 F CB -0.084 38.688 39.000 -0.380 0.000 1.001 237 F HN -0.139 nan 8.300 nan 0.000 0.479 238 K N -0.371 119.995 120.400 -0.057 0.000 2.283 238 K HA -0.112 4.207 4.320 -0.000 0.000 0.202 238 K C 2.022 178.579 176.600 -0.073 0.000 1.048 238 K CA 1.304 57.562 56.287 -0.050 0.000 0.948 238 K CB -0.323 32.244 32.500 0.111 0.000 0.742 238 K HN 0.350 nan 8.250 nan 0.000 0.458 239 S N -0.551 115.119 115.700 -0.051 0.000 2.603 239 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 239 S C 1.316 175.870 174.600 -0.076 0.000 0.967 239 S CA 0.444 58.623 58.200 -0.035 0.000 0.920 239 S CB 0.162 63.367 63.200 0.009 0.000 0.773 239 S HN 0.419 nan 8.310 nan 0.000 0.529 240 G N 1.698 110.397 108.800 -0.168 0.000 2.162 240 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.260 240 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.260 240 G C 0.760 175.585 174.900 -0.124 0.000 0.976 240 G CA 0.510 45.491 45.100 -0.198 0.000 0.655 240 G HN 0.530 nan 8.290 nan 0.000 0.533 241 K N -0.509 119.853 120.400 -0.063 0.000 2.367 241 K HA 0.323 4.643 4.320 -0.000 0.000 0.194 241 K C 0.634 177.283 176.600 0.081 0.000 1.027 241 K CA 0.286 56.581 56.287 0.013 0.000 1.075 241 K CB 1.280 33.809 32.500 0.049 0.000 0.845 241 K HN 0.345 nan 8.250 nan 0.000 0.529 242 V N 1.223 121.177 119.914 0.067 0.000 2.417 242 V HA 0.243 4.363 4.120 -0.000 0.000 0.291 242 V C 0.945 177.164 176.094 0.209 0.000 1.024 242 V CA -0.352 62.082 62.300 0.223 0.000 0.861 242 V CB 1.466 33.499 31.823 0.350 0.000 0.985 242 V HN 0.120 nan 8.190 nan 0.000 0.436 243 A N 4.044 127.038 122.820 0.290 0.000 1.898 243 A HA 0.625 4.945 4.320 -0.000 0.000 0.214 243 A C 1.066 178.910 177.584 0.434 0.000 1.183 243 A CA 1.187 53.413 52.037 0.315 0.000 0.622 243 A CB 0.048 19.266 19.000 0.363 0.000 0.824 243 A HN 1.257 nan 8.150 nan 0.000 0.444 244 A N -0.809 122.261 122.820 0.418 0.000 2.488 244 A HA 0.589 4.908 4.320 -0.000 0.000 0.298 244 A C -0.617 177.079 177.584 0.186 0.000 1.044 244 A CA 0.049 52.273 52.037 0.311 0.000 0.693 244 A CB 1.173 20.294 19.000 0.202 0.000 1.272 244 A HN 1.333 nan 8.150 nan 0.000 0.402 245 V N -0.171 119.733 119.914 -0.017 0.000 2.914 245 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 245 V C -0.686 175.384 176.094 -0.041 0.000 1.084 245 V CA -1.005 61.268 62.300 -0.046 0.000 0.963 245 V CB 1.850 33.547 31.823 -0.210 0.000 1.025 245 V HN 0.657 nan 8.190 nan 0.000 0.432 246 I N 3.807 124.381 120.570 0.006 0.000 2.306 246 I HA 0.584 4.754 4.170 -0.000 0.000 0.288 246 I C -0.106 176.136 176.117 0.209 0.000 1.036 246 I CA 0.420 61.704 61.300 -0.026 0.000 1.221 246 I CB 0.257 38.098 38.000 -0.265 0.000 1.385 246 I HN 0.877 nan 8.210 nan 0.000 0.472 247 N N 3.521 122.291 118.700 0.116 0.000 3.243 247 N HA 0.680 5.420 4.740 -0.000 0.000 0.280 247 N C -0.554 174.810 175.510 -0.243 0.000 1.545 247 N CA -0.329 52.799 53.050 0.129 0.000 0.854 247 N CB 2.300 40.868 38.487 0.136 0.000 1.612 247 N HN 0.570 nan 8.380 nan 0.000 0.577 248 G N -0.345 107.830 108.800 -1.042 0.000 2.552 248 G HA2 0.474 4.433 3.960 -0.000 0.000 0.324 248 G HA3 0.474 4.433 3.960 -0.000 0.000 0.324 248 G C -1.989 171.871 174.900 -1.734 0.000 1.217 248 G CA -1.256 42.743 45.100 -1.835 0.000 0.989 248 G HN 0.377 nan 8.290 nan 0.000 0.490 249 P HA -0.108 nan 4.420 nan 0.000 0.218 249 P C 1.312 178.233 177.300 -0.631 0.000 1.146 249 P CA 1.345 63.658 63.100 -1.313 0.000 0.813 249 P CB 0.008 31.084 31.700 -1.040 0.000 0.778 250 W N -0.295 120.816 121.300 -0.316 0.000 2.468 250 W HA 0.077 4.737 4.660 -0.000 0.000 0.262 250 W C 1.619 177.998 176.519 -0.234 0.000 1.241 250 W CA 0.925 58.137 57.345 -0.221 0.000 1.232 250 W CB -1.795 27.561 29.460 -0.174 0.000 1.124 250 W HN -0.109 nan 8.180 nan 0.000 0.597 251 A N 0.619 123.182 122.820 -0.427 0.000 2.267 251 A HA 0.165 4.484 4.320 -0.000 0.000 0.213 251 A C 1.813 178.970 177.584 -0.712 0.000 1.192 251 A CA 0.358 52.075 52.037 -0.533 0.000 0.851 251 A CB -0.449 18.083 19.000 -0.780 0.000 0.881 251 A HN 0.238 nan 8.150 nan 0.000 0.494 252 I N 0.236 120.569 120.570 -0.396 0.000 2.226 252 I HA -0.191 3.978 4.170 -0.000 0.000 0.245 252 I C 2.044 178.115 176.117 -0.077 0.000 1.100 252 I CA 1.357 62.553 61.300 -0.173 0.000 1.374 252 I CB -0.823 37.146 38.000 -0.051 0.000 1.057 252 I HN 0.224 nan 8.210 nan 0.000 0.413 253 K N 0.537 120.883 120.400 -0.090 0.000 2.057 253 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 253 K C 1.807 178.417 176.600 0.016 0.000 1.050 253 K CA 1.336 57.602 56.287 -0.034 0.000 0.935 253 K CB -0.675 31.797 32.500 -0.047 0.000 0.715 253 K HN 0.250 nan 8.250 nan 0.000 0.439 254 D N 0.016 120.414 120.400 -0.004 0.000 2.116 254 D HA -0.187 4.452 4.640 -0.000 0.000 0.193 254 D C 1.841 178.283 176.300 0.237 0.000 0.998 254 D CA 1.247 55.294 54.000 0.078 0.000 0.836 254 D CB 0.002 40.824 40.800 0.036 0.000 0.951 254 D HN 0.120 nan 8.370 nan 0.000 0.449 255 Y N 0.768 121.141 120.300 0.120 0.000 2.200 255 Y HA -0.015 4.535 4.550 -0.000 0.000 0.290 255 Y C 2.576 178.540 175.900 0.107 0.000 1.137 255 Y CA 0.753 58.955 58.100 0.171 0.000 1.163 255 Y CB -0.997 37.627 38.460 0.273 0.000 0.988 255 Y HN 0.164 nan 8.280 nan 0.000 0.518 256 Q N -0.530 119.414 119.800 0.240 0.000 2.119 256 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 256 Q C 2.328 178.384 176.000 0.093 0.000 0.972 256 Q CA 1.291 57.173 55.803 0.132 0.000 0.847 256 Q CB -0.294 28.494 28.738 0.083 0.000 0.903 256 Q HN 0.423 nan 8.270 nan 0.000 0.433 257 A N 0.317 123.191 122.820 0.090 0.000 2.209 257 A HA 0.105 4.424 4.320 -0.000 0.000 0.212 257 A C 1.783 179.410 177.584 0.071 0.000 1.158 257 A CA 1.106 53.183 52.037 0.067 0.000 0.742 257 A CB -0.147 18.887 19.000 0.058 0.000 0.790 257 A HN 0.324 nan 8.150 nan 0.000 0.472 258 A N -1.942 120.935 122.820 0.094 0.000 2.387 258 A HA 0.468 4.788 4.320 -0.000 0.000 0.234 258 A C 1.552 179.158 177.584 0.037 0.000 1.253 258 A CA 0.901 52.981 52.037 0.073 0.000 0.894 258 A CB -0.604 18.457 19.000 0.102 0.000 0.963 258 A HN 1.714 nan 8.150 nan 0.000 0.508 259 G N -0.698 108.125 108.800 0.040 0.000 2.143 259 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.249 259 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.249 259 G C -0.070 174.828 174.900 -0.004 0.000 0.981 259 G CA 0.260 45.370 45.100 0.016 0.000 0.665 259 G HN 0.353 nan 8.290 nan 0.000 0.528 260 I N 1.111 121.681 120.570 0.001 0.000 2.441 260 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 260 I C 0.565 176.691 176.117 0.014 0.000 1.049 260 I CA -1.004 60.270 61.300 -0.043 0.000 1.381 260 I CB 1.110 39.032 38.000 -0.130 0.000 1.409 260 I HN 0.129 nan 8.210 nan 0.000 0.523 261 N N 6.420 125.115 118.700 -0.008 0.000 2.399 261 N HA 0.143 4.883 4.740 -0.000 0.000 0.259 261 N C -0.843 174.669 175.510 0.003 0.000 1.160 261 N CA -0.213 52.840 53.050 0.005 0.000 0.946 261 N CB 0.586 39.074 38.487 0.001 0.000 1.156 261 N HN 0.393 nan 8.380 nan 0.000 0.489 262 V N 1.590 121.512 119.914 0.014 0.000 2.481 262 V HA 0.936 5.056 4.120 -0.000 0.000 0.286 262 V C 0.677 176.640 176.094 -0.219 0.000 1.042 262 V CA -0.622 61.663 62.300 -0.024 0.000 0.928 262 V CB 1.004 32.897 31.823 0.117 0.000 0.986 262 V HN 0.479 nan 8.190 nan 0.000 0.462 263 G N 3.195 111.631 108.800 -0.605 0.000 2.489 263 G HA2 0.720 4.680 3.960 -0.000 0.000 0.327 263 G HA3 0.720 4.680 3.960 -0.000 0.000 0.327 263 G C -1.210 173.162 174.900 -0.880 0.000 1.189 263 G CA -0.856 43.717 45.100 -0.878 0.000 0.962 263 G HN 1.197 nan 8.290 nan 0.000 0.486 264 V N -0.477 119.145 119.914 -0.488 0.000 2.888 264 V HA 0.856 4.976 4.120 -0.000 0.000 0.309 264 V C -0.045 175.960 176.094 -0.149 0.000 1.114 264 V CA -0.609 61.465 62.300 -0.376 0.000 0.940 264 V CB 1.373 32.789 31.823 -0.678 0.000 1.021 264 V HN 1.386 nan 8.190 nan 0.000 0.426 265 A N 4.938 127.693 122.820 -0.109 0.000 2.572 265 A HA 1.010 5.330 4.320 -0.000 0.000 0.295 265 A C -3.127 174.369 177.584 -0.147 0.000 1.072 265 A CA -1.708 50.284 52.037 -0.075 0.000 0.691 265 A CB 2.232 21.246 19.000 0.024 0.000 1.291 265 A HN 0.562 nan 8.150 nan 0.000 0.404 266 P HA 0.203 nan 4.420 nan 0.000 0.270 266 P C -0.465 176.756 177.300 -0.132 0.000 1.223 266 P CA -0.167 62.859 63.100 -0.124 0.000 0.785 266 P CB 0.283 31.933 31.700 -0.084 0.000 0.923 267 L N 3.988 125.101 121.223 -0.184 0.000 2.559 267 L HA 0.069 4.409 4.340 -0.000 0.000 0.274 267 L C -1.545 175.259 176.870 -0.110 0.000 1.205 267 L CA -0.513 54.194 54.840 -0.222 0.000 0.907 267 L CB -1.499 40.288 42.059 -0.454 0.000 1.153 267 L HN 0.331 nan 8.230 nan 0.000 0.490 268 P HA -0.033 nan 4.420 nan 0.000 0.265 268 P C -0.673 176.665 177.300 0.063 0.000 1.187 268 P CA -0.341 62.769 63.100 0.017 0.000 0.766 268 P CB 0.065 31.797 31.700 0.054 0.000 0.820 269 K N 3.423 123.851 120.400 0.048 0.000 2.530 269 K HA 0.082 4.402 4.320 -0.000 0.000 0.280 269 K C -0.279 176.389 176.600 0.112 0.000 1.004 269 K CA 0.156 56.476 56.287 0.055 0.000 1.071 269 K CB 0.088 32.609 32.500 0.035 0.000 0.876 269 K HN 0.480 nan 8.250 nan 0.000 0.487 270 I N 2.791 123.411 120.570 0.085 0.000 2.447 270 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 270 I C -0.947 175.184 176.117 0.024 0.000 1.023 270 I CA -0.278 61.071 61.300 0.081 0.000 1.083 270 I CB 1.075 39.057 38.000 -0.030 0.000 1.245 270 I HN 0.885 nan 8.210 nan 0.000 0.434 271 D N 5.348 125.771 120.400 0.038 0.000 2.981 271 D HA -0.175 4.465 4.640 -0.000 0.000 0.223 271 D C 0.980 177.289 176.300 0.015 0.000 1.151 271 D CA 1.590 55.597 54.000 0.011 0.000 0.827 271 D CB -1.211 39.574 40.800 -0.024 0.000 1.101 271 D HN 1.214 nan 8.370 nan 0.000 0.426 272 G N -0.628 108.189 108.800 0.029 0.000 2.175 272 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.265 272 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.265 272 G C 0.353 175.262 174.900 0.015 0.000 0.979 272 G CA 1.202 46.315 45.100 0.022 0.000 0.663 272 G HN 0.513 nan 8.290 nan 0.000 0.533 273 K N 0.425 120.832 120.400 0.013 0.000 2.238 273 K HA 0.463 4.783 4.320 -0.000 0.000 0.239 273 K C -0.329 176.276 176.600 0.010 0.000 0.987 273 K CA -1.045 55.246 56.287 0.007 0.000 0.857 273 K CB 1.120 33.620 32.500 -0.001 0.000 1.154 273 K HN 0.071 nan 8.250 nan 0.000 0.439 274 D N 1.274 121.678 120.400 0.006 0.000 2.443 274 D HA 0.031 4.671 4.640 -0.000 0.000 0.239 274 D C -0.185 176.115 176.300 0.001 0.000 1.136 274 D CA 0.242 54.242 54.000 0.001 0.000 0.879 274 D CB 0.874 41.675 40.800 0.001 0.000 1.195 274 D HN 0.544 nan 8.370 nan 0.000 0.443 275 A N 2.452 125.265 122.820 -0.011 0.000 2.450 275 A HA 0.065 4.385 4.320 -0.000 0.000 0.255 275 A C 0.328 177.911 177.584 -0.003 0.000 1.096 275 A CA -0.169 51.864 52.037 -0.006 0.000 0.778 275 A CB 0.329 19.261 19.000 -0.113 0.000 1.031 275 A HN 0.555 nan 8.150 nan 0.000 0.494 276 Q N 2.498 122.314 119.800 0.027 0.000 2.466 276 Q HA 0.358 4.698 4.340 -0.000 0.000 0.242 276 Q C 0.056 176.111 176.000 0.091 0.000 1.046 276 Q CA -0.408 55.422 55.803 0.045 0.000 0.841 276 Q CB 0.526 29.282 28.738 0.031 0.000 1.193 276 Q HN 0.887 nan 8.270 nan 0.000 0.508 277 T N -0.052 114.553 114.554 0.086 0.000 2.810 277 T HA 0.416 4.766 4.350 -0.000 0.000 0.277 277 T C 0.125 174.892 174.700 0.112 0.000 0.973 277 T CA -0.556 61.600 62.100 0.095 0.000 0.949 277 T CB 0.560 69.422 68.868 -0.011 0.000 1.075 277 T HN 0.363 nan 8.240 nan 0.000 0.537 278 F N 0.427 120.376 119.950 -0.002 0.000 2.399 278 F HA 0.388 4.915 4.527 -0.000 0.000 0.342 278 F C 0.670 176.488 175.800 0.030 0.000 1.106 278 F CA -1.228 56.708 58.000 -0.107 0.000 1.196 278 F CB 0.752 39.608 39.000 -0.240 0.000 1.163 278 F HN 0.244 nan 8.300 nan 0.000 0.547 279 I N 2.342 123.121 120.570 0.348 0.000 2.428 279 I HA 0.389 4.559 4.170 -0.000 0.000 0.296 279 I C 0.416 176.753 176.117 0.367 0.000 0.985 279 I CA -0.273 61.192 61.300 0.276 0.000 1.260 279 I CB 0.926 39.043 38.000 0.195 0.000 1.389 279 I HN 0.560 nan 8.210 nan 0.000 0.484 280 G N 4.731 113.726 108.800 0.325 0.000 2.591 280 G HA2 0.622 4.582 3.960 -0.000 0.000 0.306 280 G HA3 0.622 4.582 3.960 -0.000 0.000 0.306 280 G C -1.522 173.522 174.900 0.239 0.000 1.334 280 G CA -0.341 44.975 45.100 0.361 0.000 0.981 280 G HN 0.315 nan 8.290 nan 0.000 0.491 281 V N 1.862 121.974 119.914 0.329 0.000 2.483 281 V HA 0.416 4.536 4.120 -0.000 0.000 0.297 281 V C -0.266 175.861 176.094 0.054 0.000 1.027 281 V CA -0.952 61.382 62.300 0.057 0.000 0.855 281 V CB 1.688 33.410 31.823 -0.169 0.000 0.995 281 V HN 0.701 nan 8.190 nan 0.000 0.424 282 K N 3.165 123.520 120.400 -0.075 0.000 2.211 282 K HA 0.744 5.064 4.320 -0.000 0.000 0.275 282 K C 0.221 176.606 176.600 -0.358 0.000 1.024 282 K CA -0.270 55.901 56.287 -0.193 0.000 0.887 282 K CB 2.061 34.424 32.500 -0.228 0.000 1.084 282 K HN 0.877 nan 8.250 nan 0.000 0.463 283 G N 1.897 110.362 108.800 -0.558 0.000 2.642 283 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 283 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 283 G C -1.680 172.582 174.900 -1.063 0.000 1.341 283 G CA -0.879 43.771 45.100 -0.749 0.000 0.916 283 G HN 0.501 nan 8.290 nan 0.000 0.474 284 W N -0.192 120.695 121.300 -0.689 0.000 2.261 284 W HA 0.585 5.245 4.660 -0.000 0.000 0.323 284 W C -0.657 175.417 176.519 -0.742 0.000 1.243 284 W CA -0.285 56.699 57.345 -0.602 0.000 1.210 284 W CB 1.041 30.302 29.460 -0.330 0.000 1.149 284 W HN 0.362 nan 8.180 nan 0.000 0.562 285 Y N 2.054 122.352 120.300 -0.002 0.000 2.562 285 Y HA 0.538 5.088 4.550 -0.000 0.000 0.343 285 Y C -0.514 175.352 175.900 -0.057 0.000 1.025 285 Y CA -1.581 56.460 58.100 -0.099 0.000 1.082 285 Y CB 0.939 39.213 38.460 -0.309 0.000 1.264 285 Y HN 0.101 nan 8.280 nan 0.000 0.478 286 L N 1.695 123.003 121.223 0.142 0.000 2.280 286 L HA 0.517 4.856 4.340 -0.000 0.000 0.287 286 L C 0.147 177.054 176.870 0.061 0.000 1.023 286 L CA -0.219 54.656 54.840 0.057 0.000 0.819 286 L CB 1.107 43.183 42.059 0.028 0.000 1.212 286 L HN 0.636 nan 8.230 nan 0.000 0.420 287 S N 3.674 119.392 115.700 0.030 0.000 2.549 287 S HA 0.285 4.754 4.470 -0.000 0.000 0.286 287 S C 1.498 176.097 174.600 -0.002 0.000 1.314 287 S CA 0.180 58.409 58.200 0.047 0.000 1.062 287 S CB 0.867 64.095 63.200 0.047 0.000 0.865 287 S HN 0.925 nan 8.310 nan 0.000 0.498 288 A N 4.459 127.230 122.820 -0.082 0.000 2.121 288 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 288 A C 0.993 178.367 177.584 -0.350 0.000 1.154 288 A CA 0.986 52.871 52.037 -0.253 0.000 0.679 288 A CB -0.547 18.224 19.000 -0.382 0.000 0.795 288 A HN 0.944 nan 8.150 nan 0.000 0.458 289 Y N -0.342 119.952 120.300 -0.011 0.000 2.468 289 Y HA 0.267 4.817 4.550 -0.000 0.000 0.268 289 Y C 1.377 177.245 175.900 -0.054 0.000 1.177 289 Y CA 0.064 58.148 58.100 -0.027 0.000 1.265 289 Y CB -0.078 38.371 38.460 -0.019 0.000 1.103 289 Y HN 0.203 nan 8.280 nan 0.000 0.522 290 S N 0.774 116.499 115.700 0.042 0.000 2.564 290 S HA 0.092 4.561 4.470 -0.000 0.000 0.278 290 S C 1.100 175.647 174.600 -0.089 0.000 1.333 290 S CA -0.418 57.778 58.200 -0.006 0.000 1.048 290 S CB 0.862 64.064 63.200 0.003 0.000 0.900 290 S HN 0.443 nan 8.310 nan 0.000 0.505 291 K N 2.606 122.871 120.400 -0.224 0.000 2.400 291 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 291 K C -0.649 175.528 176.600 -0.705 0.000 1.033 291 K CA 0.619 56.591 56.287 -0.526 0.000 1.021 291 K CB 0.183 32.239 32.500 -0.741 0.000 0.808 291 K HN 0.702 nan 8.250 nan 0.000 0.505 292 Y N 0.168 120.501 120.300 0.055 0.000 2.511 292 Y HA 0.204 4.754 4.550 -0.000 0.000 0.356 292 Y C -2.011 173.927 175.900 0.063 0.000 1.002 292 Y CA -2.264 55.899 58.100 0.105 0.000 1.127 292 Y CB 0.713 39.290 38.460 0.195 0.000 1.137 292 Y HN -0.032 nan 8.280 nan 0.000 0.652 293 P HA -0.207 nan 4.420 nan 0.000 0.217 293 P C 1.546 178.857 177.300 0.018 0.000 1.150 293 P CA 1.386 64.505 63.100 0.033 0.000 0.832 293 P CB 0.639 32.330 31.700 -0.014 0.000 0.787 294 K N -0.742 119.644 120.400 -0.024 0.000 2.026 294 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 294 K C 2.258 178.811 176.600 -0.078 0.000 1.048 294 K CA 1.468 57.685 56.287 -0.116 0.000 0.929 294 K CB -0.442 31.898 32.500 -0.267 0.000 0.713 294 K HN 0.023 nan 8.250 nan 0.000 0.439 295 Y N 0.186 120.532 120.300 0.076 0.000 2.263 295 Y HA -0.060 4.489 4.550 -0.000 0.000 0.292 295 Y C 2.294 178.199 175.900 0.009 0.000 1.130 295 Y CA 0.997 59.140 58.100 0.071 0.000 1.179 295 Y CB -0.548 37.949 38.460 0.063 0.000 0.998 295 Y HN 0.166 nan 8.280 nan 0.000 0.532 296 A N -0.673 122.231 122.820 0.140 0.000 1.930 296 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 296 A C 2.246 179.785 177.584 -0.075 0.000 1.175 296 A CA 2.157 54.183 52.037 -0.019 0.000 0.627 296 A CB -1.109 17.887 19.000 -0.007 0.000 0.815 296 A HN 0.409 nan 8.150 nan 0.000 0.443 297 T N -0.023 114.518 114.554 -0.021 0.000 2.867 297 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 297 T C 1.679 176.377 174.700 -0.004 0.000 1.057 297 T CA 1.543 63.627 62.100 -0.027 0.000 1.136 297 T CB -0.184 68.675 68.868 -0.016 0.000 0.874 297 T HN 0.665 nan 8.240 nan 0.000 0.466 298 E N 0.620 120.847 120.200 0.045 0.000 2.072 298 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 298 E C 2.098 178.755 176.600 0.095 0.000 0.985 298 E CA 0.544 57.027 56.400 0.137 0.000 0.801 298 E CB -0.222 29.628 29.700 0.251 0.000 0.750 298 E HN 0.210 nan 8.360 nan 0.000 0.452 299 L N 1.013 122.107 121.223 -0.214 0.000 2.012 299 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 299 L C 2.271 178.923 176.870 -0.362 0.000 1.073 299 L CA 1.766 56.161 54.840 -0.741 0.000 0.748 299 L CB -0.416 41.085 42.059 -0.930 0.000 0.891 299 L HN 0.170 nan 8.230 nan 0.000 0.431 300 M N -1.264 118.166 119.600 -0.282 0.000 2.108 300 M HA -0.291 4.189 4.480 -0.000 0.000 0.261 300 M C 2.269 178.533 176.300 -0.060 0.000 1.066 300 M CA 1.893 57.044 55.300 -0.248 0.000 1.107 300 M CB -0.095 32.406 32.600 -0.165 0.000 1.356 300 M HN 0.421 nan 8.290 nan 0.000 0.406 301 Q N -0.953 118.868 119.800 0.034 0.000 2.124 301 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 301 Q C 1.837 177.922 176.000 0.142 0.000 0.977 301 Q CA 1.808 57.684 55.803 0.120 0.000 0.850 301 Q CB -0.228 28.596 28.738 0.144 0.000 0.901 301 Q HN 0.574 nan 8.270 nan 0.000 0.429 302 F N 0.677 120.644 119.950 0.028 0.000 2.186 302 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 302 F C 1.562 177.374 175.800 0.020 0.000 1.090 302 F CA 1.036 59.094 58.000 0.098 0.000 1.307 302 F CB 0.169 39.322 39.000 0.255 0.000 1.019 302 F HN -0.028 nan 8.300 nan 0.000 0.489 303 L N -0.592 120.675 121.223 0.074 0.000 2.395 303 L HA -0.044 4.296 4.340 -0.000 0.000 0.218 303 L C 1.508 178.355 176.870 -0.039 0.000 1.130 303 L CA 1.327 56.160 54.840 -0.010 0.000 0.826 303 L CB -0.712 41.305 42.059 -0.070 0.000 0.941 303 L HN 0.223 nan 8.230 nan 0.000 0.451 304 T N -4.226 110.335 114.554 0.012 0.000 3.228 304 T HA 0.196 4.546 4.350 -0.000 0.000 0.278 304 T C 0.635 175.393 174.700 0.097 0.000 1.014 304 T CA -0.236 61.924 62.100 0.100 0.000 0.904 304 T CB -0.082 68.897 68.868 0.186 0.000 1.110 304 T HN 0.181 nan 8.240 nan 0.000 0.541 305 S N 0.728 116.361 115.700 -0.112 0.000 2.608 305 S HA 0.346 4.816 4.470 -0.000 0.000 0.261 305 S C 1.353 175.836 174.600 -0.195 0.000 1.314 305 S CA -0.807 57.297 58.200 -0.160 0.000 0.992 305 S CB 1.715 64.768 63.200 -0.245 0.000 0.935 305 S HN 0.337 nan 8.310 nan 0.000 0.564 306 K N 0.572 120.868 120.400 -0.173 0.000 2.044 306 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 306 K C 1.813 178.319 176.600 -0.157 0.000 1.049 306 K CA 2.062 58.261 56.287 -0.148 0.000 0.927 306 K CB -0.409 32.020 32.500 -0.118 0.000 0.713 306 K HN 0.704 nan 8.250 nan 0.000 0.443 307 E N 0.303 120.399 120.200 -0.174 0.000 2.058 307 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 307 E C 1.827 178.175 176.600 -0.419 0.000 0.997 307 E CA 1.568 57.885 56.400 -0.139 0.000 0.801 307 E CB -0.332 29.369 29.700 0.001 0.000 0.746 307 E HN 0.451 nan 8.360 nan 0.000 0.450 308 A N 0.300 122.571 122.820 -0.916 0.000 1.898 308 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 308 A C 1.973 179.137 177.584 -0.700 0.000 1.181 308 A CA 1.008 52.107 52.037 -1.563 0.000 0.620 308 A CB -0.422 17.706 19.000 -1.452 0.000 0.819 308 A HN 0.170 nan 8.150 nan 0.000 0.442 309 L N -0.530 120.478 121.223 -0.359 0.000 2.217 309 L HA 0.018 4.358 4.340 -0.000 0.000 0.211 309 L C 2.818 179.666 176.870 -0.037 0.000 1.107 309 L CA 1.444 56.200 54.840 -0.140 0.000 0.783 309 L CB -1.157 40.870 42.059 -0.054 0.000 0.919 309 L HN 0.412 nan 8.230 nan 0.000 0.442 310 A N -1.666 121.125 122.820 -0.048 0.000 1.873 310 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 310 A C 2.590 180.251 177.584 0.129 0.000 1.186 310 A CA 1.728 53.801 52.037 0.060 0.000 0.616 310 A CB -0.817 18.207 19.000 0.040 0.000 0.823 310 A HN 0.380 nan 8.150 nan 0.000 0.442 311 S N -0.649 115.112 115.700 0.101 0.000 2.383 311 S HA -0.221 4.248 4.470 -0.000 0.000 0.229 311 S C 2.206 176.901 174.600 0.157 0.000 1.030 311 S CA 1.700 60.030 58.200 0.216 0.000 1.002 311 S CB -0.375 63.137 63.200 0.520 0.000 0.829 311 S HN 0.606 nan 8.310 nan 0.000 0.467 312 R N -0.828 119.709 120.500 0.062 0.000 2.075 312 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 312 R C 2.141 178.486 176.300 0.074 0.000 1.126 312 R CA 1.643 57.778 56.100 0.059 0.000 0.963 312 R CB -0.597 29.706 30.300 0.005 0.000 0.858 312 R HN 0.534 nan 8.270 nan 0.000 0.435 313 F N 1.871 121.817 119.950 -0.007 0.000 2.069 313 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 313 F C 1.739 177.548 175.800 0.017 0.000 1.113 313 F CA 1.789 59.788 58.000 -0.003 0.000 1.214 313 F CB -0.163 38.833 39.000 -0.007 0.000 0.978 313 F HN -0.096 nan 8.300 nan 0.000 0.474 314 K N -0.093 120.219 120.400 -0.148 0.000 2.063 314 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 314 K C 2.172 178.655 176.600 -0.194 0.000 1.048 314 K CA 1.948 58.105 56.287 -0.218 0.000 0.928 314 K CB -0.422 32.096 32.500 0.030 0.000 0.713 314 K HN 0.465 nan 8.250 nan 0.000 0.442 315 E N 0.055 120.209 120.200 -0.077 0.000 2.112 315 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 315 E C 1.771 178.325 176.600 -0.076 0.000 0.979 315 E CA 1.523 57.901 56.400 -0.037 0.000 0.814 315 E CB 0.311 30.041 29.700 0.050 0.000 0.762 315 E HN 0.412 nan 8.360 nan 0.000 0.460 316 T N -4.612 109.878 114.554 -0.107 0.000 3.018 316 T HA 0.276 4.625 4.350 -0.000 0.000 0.246 316 T C 1.505 176.115 174.700 -0.150 0.000 1.026 316 T CA 0.658 62.705 62.100 -0.087 0.000 1.081 316 T CB 0.799 69.648 68.868 -0.032 0.000 0.970 316 T HN 0.251 nan 8.240 nan 0.000 0.475 317 G N 1.479 110.097 108.800 -0.303 0.000 2.176 317 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.253 317 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.253 317 G C -0.253 174.612 174.900 -0.058 0.000 0.979 317 G CA 0.088 44.982 45.100 -0.342 0.000 0.641 317 G HN 0.668 nan 8.290 nan 0.000 0.530 318 E N 0.749 120.965 120.200 0.028 0.000 2.259 318 E HA 0.386 4.736 4.350 -0.000 0.000 0.281 318 E C 0.549 177.270 176.600 0.202 0.000 1.027 318 E CA -0.899 55.547 56.400 0.077 0.000 0.838 318 E CB 1.080 30.800 29.700 0.033 0.000 1.066 318 E HN 0.200 nan 8.360 nan 0.000 0.401 319 I N 5.329 125.972 120.570 0.122 0.000 2.505 319 I HA 0.072 4.241 4.170 -0.000 0.000 0.287 319 I C -2.005 174.131 176.117 0.031 0.000 1.104 319 I CA -2.896 58.450 61.300 0.076 0.000 1.387 319 I CB -0.789 37.218 38.000 0.012 0.000 1.404 319 I HN 0.181 nan 8.210 nan 0.000 0.528 320 P HA 0.288 nan 4.420 nan 0.000 0.287 320 P C -2.557 174.748 177.300 0.009 0.000 1.281 320 P CA -1.855 61.254 63.100 0.015 0.000 0.781 320 P CB 0.605 32.317 31.700 0.021 0.000 0.903 321 P HA 0.140 nan 4.420 nan 0.000 0.226 321 P C -0.118 177.271 177.300 0.149 0.000 1.758 321 P CA 0.147 63.283 63.100 0.061 0.000 0.896 321 P CB -0.159 31.562 31.700 0.035 0.000 1.784 322 Q N 0.573 120.425 119.800 0.086 0.000 2.290 322 Q HA 0.253 4.593 4.340 -0.000 0.000 0.259 322 Q C 0.877 176.846 176.000 -0.051 0.000 0.941 322 Q CA -0.639 55.169 55.803 0.008 0.000 0.912 322 Q CB 1.214 29.913 28.738 -0.066 0.000 1.244 322 Q HN -0.100 nan 8.270 nan 0.000 0.441 323 K N 2.614 122.970 120.400 -0.073 0.000 2.063 323 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 323 K C 1.226 177.783 176.600 -0.072 0.000 1.048 323 K CA 1.843 58.094 56.287 -0.061 0.000 0.928 323 K CB 0.194 32.657 32.500 -0.060 0.000 0.713 323 K HN 0.718 nan 8.250 nan 0.000 0.442 324 E N 0.567 120.712 120.200 -0.092 0.000 2.051 324 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 324 E C 2.041 178.592 176.600 -0.080 0.000 0.991 324 E CA 0.826 57.177 56.400 -0.082 0.000 0.799 324 E CB -0.035 29.610 29.700 -0.091 0.000 0.748 324 E HN 0.093 nan 8.360 nan 0.000 0.449 325 L N 0.768 121.937 121.223 -0.090 0.000 2.046 325 L HA -0.161 4.178 4.340 -0.000 0.000 0.208 325 L C 2.357 179.152 176.870 -0.125 0.000 1.077 325 L CA 1.382 56.159 54.840 -0.104 0.000 0.747 325 L CB -0.847 41.151 42.059 -0.103 0.000 0.896 325 L HN 0.144 nan 8.230 nan 0.000 0.432 326 L N -0.939 120.222 121.223 -0.102 0.000 2.141 326 L HA -0.193 4.146 4.340 -0.000 0.000 0.209 326 L C 2.040 178.862 176.870 -0.080 0.000 1.094 326 L CA 1.111 55.893 54.840 -0.096 0.000 0.763 326 L CB -0.468 41.553 42.059 -0.062 0.000 0.908 326 L HN 0.342 nan 8.230 nan 0.000 0.437 327 N N -0.353 118.308 118.700 -0.067 0.000 2.494 327 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 327 N C 0.385 175.863 175.510 -0.054 0.000 1.076 327 N CA 0.244 53.262 53.050 -0.053 0.000 0.908 327 N CB -0.035 38.424 38.487 -0.045 0.000 0.967 327 N HN 0.125 nan 8.380 nan 0.000 0.449 328 D N -0.077 120.282 120.400 -0.069 0.000 2.343 328 D HA 0.101 4.741 4.640 -0.000 0.000 0.255 328 D C -1.704 174.558 176.300 -0.063 0.000 1.187 328 D CA -2.169 51.794 54.000 -0.062 0.000 0.875 328 D CB 1.324 42.083 40.800 -0.069 0.000 1.136 328 D HN 0.069 nan 8.370 nan 0.000 0.469 329 P HA -0.171 nan 4.420 nan 0.000 0.217 329 P C 1.580 178.863 177.300 -0.028 0.000 1.148 329 P CA 1.133 64.215 63.100 -0.030 0.000 0.834 329 P CB 0.075 31.765 31.700 -0.016 0.000 0.783 330 M N -1.908 117.676 119.600 -0.027 0.000 2.279 330 M HA -0.115 4.364 4.480 -0.000 0.000 0.264 330 M C 1.579 177.859 176.300 -0.033 0.000 1.062 330 M CA 1.778 57.075 55.300 -0.006 0.000 1.099 330 M CB -0.218 32.390 32.600 0.013 0.000 1.394 330 M HN -0.111 nan 8.290 nan 0.000 0.426 331 I N -1.872 118.618 120.570 -0.132 0.000 3.172 331 I HA -0.116 4.054 4.170 -0.000 0.000 0.278 331 I C 2.188 178.193 176.117 -0.187 0.000 1.174 331 I CA 0.306 61.424 61.300 -0.304 0.000 1.445 331 I CB -0.336 37.344 38.000 -0.533 0.000 1.175 331 I HN 0.148 nan 8.210 nan 0.000 0.447 332 K N 1.416 121.745 120.400 -0.118 0.000 2.097 332 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 332 K C 1.137 177.716 176.600 -0.035 0.000 1.050 332 K CA 1.559 57.802 56.287 -0.073 0.000 0.938 332 K CB 0.142 32.608 32.500 -0.057 0.000 0.718 332 K HN 0.260 nan 8.250 nan 0.000 0.442 333 N N 0.440 119.126 118.700 -0.023 0.000 2.220 333 N HA -0.042 4.698 4.740 -0.000 0.000 0.195 333 N C -0.275 175.241 175.510 0.011 0.000 1.123 333 N CA -0.106 52.941 53.050 -0.006 0.000 0.874 333 N CB -0.154 38.330 38.487 -0.004 0.000 0.995 333 N HN 0.095 nan 8.380 nan 0.000 0.498 334 N N 2.531 121.246 118.700 0.025 0.000 2.294 334 N HA -0.034 4.706 4.740 -0.000 0.000 0.263 334 N C -1.590 173.952 175.510 0.052 0.000 1.281 334 N CA -0.955 52.132 53.050 0.062 0.000 0.846 334 N CB 0.865 39.427 38.487 0.126 0.000 1.061 334 N HN 0.004 nan 8.380 nan 0.000 0.478 335 P HA -0.180 nan 4.420 nan 0.000 0.216 335 P C 1.178 178.467 177.300 -0.019 0.000 1.150 335 P CA 0.821 63.921 63.100 0.001 0.000 0.843 335 P CB 0.274 31.971 31.700 -0.005 0.000 0.787 336 V N -0.459 119.479 119.914 0.040 0.000 2.221 336 V HA -0.209 3.911 4.120 -0.000 0.000 0.242 336 V C 2.488 178.680 176.094 0.162 0.000 1.041 336 V CA 1.940 64.292 62.300 0.086 0.000 0.995 336 V CB -1.409 30.522 31.823 0.180 0.000 0.635 336 V HN -0.062 nan 8.190 nan 0.000 0.448 337 V N 0.828 120.889 119.914 0.246 0.000 2.287 337 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 337 V C 2.335 178.527 176.094 0.162 0.000 1.053 337 V CA 2.627 65.094 62.300 0.278 0.000 1.027 337 V CB -1.206 30.703 31.823 0.142 0.000 0.646 337 V HN 0.705 nan 8.190 nan 0.000 0.447 338 N N 0.855 119.587 118.700 0.054 0.000 2.149 338 N HA -0.139 4.600 4.740 -0.000 0.000 0.188 338 N C 1.799 177.292 175.510 -0.028 0.000 1.019 338 N CA 1.747 54.802 53.050 0.008 0.000 0.857 338 N CB -0.508 37.974 38.487 -0.008 0.000 0.997 338 N HN 0.428 nan 8.380 nan 0.000 0.426 339 G N -1.331 107.399 108.800 -0.117 0.000 2.408 339 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 339 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 339 G C 1.087 175.862 174.900 -0.208 0.000 1.150 339 G CA 0.487 45.462 45.100 -0.209 0.000 0.776 339 G HN 0.283 nan 8.290 nan 0.000 0.542 340 F N 1.769 121.690 119.950 -0.049 0.000 2.113 340 F HA 0.106 4.633 4.527 -0.000 0.000 0.297 340 F C 3.027 178.802 175.800 -0.041 0.000 1.103 340 F CA 0.767 58.729 58.000 -0.063 0.000 1.248 340 F CB -0.701 38.256 39.000 -0.071 0.000 0.999 340 F HN 0.230 nan 8.300 nan 0.000 0.475 341 A N -0.085 122.833 122.820 0.164 0.000 1.902 341 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 341 A C 2.277 179.888 177.584 0.045 0.000 1.181 341 A CA 1.461 53.548 52.037 0.082 0.000 0.623 341 A CB -0.460 18.570 19.000 0.050 0.000 0.818 341 A HN 0.088 nan 8.150 nan 0.000 0.443 342 K N -0.456 119.957 120.400 0.021 0.000 2.097 342 K HA -0.137 4.182 4.320 -0.000 0.000 0.205 342 K C 2.126 178.727 176.600 0.002 0.000 1.050 342 K CA 1.638 57.926 56.287 0.002 0.000 0.938 342 K CB -0.505 31.985 32.500 -0.018 0.000 0.718 342 K HN 0.568 nan 8.250 nan 0.000 0.442 343 Q N 0.946 120.747 119.800 0.000 0.000 2.050 343 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 343 Q C 1.901 177.917 176.000 0.027 0.000 0.980 343 Q CA 2.123 57.924 55.803 -0.004 0.000 0.840 343 Q CB -0.534 28.197 28.738 -0.012 0.000 0.898 343 Q HN 0.231 nan 8.270 nan 0.000 0.424 344 A N 0.009 122.862 122.820 0.055 0.000 1.948 344 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 344 A C 2.242 179.859 177.584 0.055 0.000 1.177 344 A CA 2.376 54.452 52.037 0.066 0.000 0.636 344 A CB -1.130 17.913 19.000 0.072 0.000 0.815 344 A HN 0.615 nan 8.150 nan 0.000 0.449 345 S N -0.956 114.768 115.700 0.040 0.000 2.474 345 S HA -0.060 4.409 4.470 -0.000 0.000 0.235 345 S C 1.357 175.978 174.600 0.036 0.000 0.997 345 S CA 1.208 59.428 58.200 0.034 0.000 0.949 345 S CB -0.094 63.120 63.200 0.023 0.000 0.766 345 S HN 0.444 nan 8.310 nan 0.000 0.517 346 K N 1.462 121.882 120.400 0.033 0.000 2.374 346 K HA 0.340 4.660 4.320 -0.000 0.000 0.196 346 K C 1.010 177.643 176.600 0.055 0.000 1.023 346 K CA 0.336 56.643 56.287 0.034 0.000 1.103 346 K CB 0.096 32.604 32.500 0.014 0.000 0.848 346 K HN 0.456 nan 8.250 nan 0.000 0.528 347 G N 0.841 109.684 108.800 0.071 0.000 2.535 347 G HA2 0.456 4.416 3.960 -0.000 0.000 0.303 347 G HA3 0.456 4.416 3.960 -0.000 0.000 0.303 347 G C -0.531 174.450 174.900 0.135 0.000 1.237 347 G CA -0.460 44.705 45.100 0.107 0.000 0.986 347 G HN -0.023 nan 8.290 nan 0.000 0.494 348 V N -2.169 117.856 119.914 0.185 0.000 2.638 348 V HA 0.590 4.710 4.120 -0.000 0.000 0.306 348 V C -2.535 173.719 176.094 0.266 0.000 1.052 348 V CA -2.554 59.870 62.300 0.206 0.000 0.885 348 V CB 1.930 33.890 31.823 0.229 0.000 0.999 348 V HN 0.623 nan 8.190 nan 0.000 0.424 349 P HA 0.108 nan 4.420 nan 0.000 0.266 349 P C -0.084 177.408 177.300 0.320 0.000 1.193 349 P CA 0.051 63.314 63.100 0.272 0.000 0.770 349 P CB 0.532 32.339 31.700 0.178 0.000 0.836 350 M N 3.838 123.603 119.600 0.276 0.000 2.249 350 M HA 0.113 4.592 4.480 -0.000 0.000 0.340 350 M C -1.710 174.621 176.300 0.051 0.000 1.166 350 M CA -1.218 53.989 55.300 -0.155 0.000 1.115 350 M CB -0.209 32.082 32.600 -0.515 0.000 1.606 350 M HN 0.222 nan 8.290 nan 0.000 0.448 351 P HA -0.002 nan 4.420 nan 0.000 0.267 351 P C -0.365 176.985 177.300 0.083 0.000 1.200 351 P CA 0.099 63.293 63.100 0.158 0.000 0.772 351 P CB 0.432 32.335 31.700 0.339 0.000 0.855 352 S N 0.720 116.486 115.700 0.110 0.000 2.666 352 S HA 0.157 4.627 4.470 -0.000 0.000 0.239 352 S C 1.027 175.621 174.600 -0.009 0.000 1.031 352 S CA -0.482 57.756 58.200 0.063 0.000 1.015 352 S CB -0.789 62.515 63.200 0.173 0.000 0.981 352 S HN 0.516 nan 8.310 nan 0.000 0.547 353 I N -0.481 120.096 120.570 0.012 0.000 2.948 353 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 353 I C -1.898 174.151 176.117 -0.114 0.000 1.226 353 I CA -1.721 59.562 61.300 -0.028 0.000 1.413 353 I CB -0.042 37.885 38.000 -0.121 0.000 1.352 353 I HN -0.187 nan 8.210 nan 0.000 0.597 354 P HA -0.185 nan 4.420 nan 0.000 0.218 354 P C 0.919 178.175 177.300 -0.074 0.000 1.148 354 P CA 1.349 64.368 63.100 -0.134 0.000 0.822 354 P CB -0.154 31.485 31.700 -0.101 0.000 0.784 355 E N -0.904 119.252 120.200 -0.074 0.000 2.516 355 E HA -0.103 4.246 4.350 -0.000 0.000 0.199 355 E C 1.603 178.270 176.600 0.112 0.000 1.069 355 E CA 0.568 56.962 56.400 -0.009 0.000 0.876 355 E CB -0.774 28.903 29.700 -0.039 0.000 0.843 355 E HN 0.264 nan 8.360 nan 0.000 0.530 356 M N 1.481 121.143 119.600 0.102 0.000 2.288 356 M HA 0.152 4.632 4.480 -0.000 0.000 0.266 356 M C 1.867 178.173 176.300 0.010 0.000 1.072 356 M CA 1.412 56.793 55.300 0.136 0.000 1.132 356 M CB -0.311 32.363 32.600 0.123 0.000 1.386 356 M HN 0.068 nan 8.290 nan 0.000 0.432 357 G N -0.917 107.901 108.800 0.030 0.000 2.990 357 G HA2 0.074 4.034 3.960 -0.000 0.000 0.206 357 G HA3 0.074 4.034 3.960 -0.000 0.000 0.206 357 G C 0.994 175.918 174.900 0.040 0.000 1.169 357 G CA 0.552 45.686 45.100 0.057 0.000 0.819 357 G HN 0.395 nan 8.290 nan 0.000 0.517 358 V N -0.736 119.183 119.914 0.009 0.000 3.635 358 V HA 0.047 4.167 4.120 -0.000 0.000 0.266 358 V C 2.403 178.467 176.094 -0.050 0.000 1.316 358 V CA 0.396 62.694 62.300 -0.004 0.000 1.060 358 V CB 0.977 32.806 31.823 0.008 0.000 0.820 358 V HN 0.211 nan 8.190 nan 0.000 0.447 359 V N -1.112 118.713 119.914 -0.148 0.000 2.535 359 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 359 V C 1.970 177.896 176.094 -0.280 0.000 1.045 359 V CA 1.679 63.791 62.300 -0.313 0.000 1.058 359 V CB -0.491 31.014 31.823 -0.531 0.000 0.689 359 V HN 0.656 nan 8.190 nan 0.000 0.461 360 W N 0.582 121.855 121.300 -0.044 0.000 2.379 360 W HA -0.137 4.523 4.660 -0.000 0.000 0.307 360 W C 2.543 179.037 176.519 -0.041 0.000 1.200 360 W CA 1.570 58.902 57.345 -0.021 0.000 1.297 360 W CB -0.106 29.340 29.460 -0.023 0.000 1.140 360 W HN 0.216 nan 8.180 nan 0.000 0.507 361 E N 0.220 120.523 120.200 0.172 0.000 2.028 361 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 361 E C -0.373 176.236 176.600 0.015 0.000 0.988 361 E CA 1.480 57.924 56.400 0.073 0.000 0.799 361 E CB -1.042 28.682 29.700 0.040 0.000 0.755 361 E HN -0.018 nan 8.360 nan 0.000 0.447 362 P HA -0.156 nan 4.420 nan 0.000 0.215 362 P C 1.535 178.806 177.300 -0.050 0.000 1.153 362 P CA 0.971 64.055 63.100 -0.028 0.000 0.853 362 P CB -0.089 31.590 31.700 -0.036 0.000 0.788 363 I N -0.128 120.386 120.570 -0.094 0.000 2.315 363 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 363 I C 1.634 177.821 176.117 0.117 0.000 1.117 363 I CA 1.534 62.758 61.300 -0.126 0.000 1.404 363 I CB -0.807 36.886 38.000 -0.511 0.000 1.071 363 I HN -0.194 nan 8.210 nan 0.000 0.419 364 N N 0.627 119.386 118.700 0.099 0.000 2.216 364 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 364 N C 1.584 177.088 175.510 -0.009 0.000 1.017 364 N CA 1.325 54.432 53.050 0.096 0.000 0.861 364 N CB -0.686 37.850 38.487 0.083 0.000 0.986 364 N HN 0.512 nan 8.380 nan 0.000 0.428 365 N N 0.799 119.417 118.700 -0.136 0.000 2.104 365 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 365 N C 1.673 176.846 175.510 -0.562 0.000 1.024 365 N CA 1.088 53.856 53.050 -0.469 0.000 0.853 365 N CB -0.062 38.175 38.487 -0.417 0.000 1.008 365 N HN 0.211 nan 8.380 nan 0.000 0.424 366 A N 0.975 123.710 122.820 -0.142 0.000 1.940 366 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 366 A C 1.683 179.276 177.584 0.015 0.000 1.176 366 A CA 1.533 53.579 52.037 0.015 0.000 0.631 366 A CB -0.788 18.232 19.000 0.034 0.000 0.814 366 A HN 0.334 nan 8.150 nan 0.000 0.446 367 H N -0.566 118.496 119.070 -0.014 0.000 2.293 367 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 367 H C 2.453 177.730 175.328 -0.086 0.000 1.082 367 H CA 2.181 58.255 56.048 0.042 0.000 1.308 367 H CB -0.632 29.206 29.762 0.127 0.000 1.375 367 H HN 0.435 nan 8.280 nan 0.000 0.495 368 T N 0.950 115.475 114.554 -0.049 0.000 2.635 368 T HA -0.196 4.153 4.350 -0.000 0.000 0.267 368 T C 1.633 176.292 174.700 -0.068 0.000 1.040 368 T CA 1.651 63.656 62.100 -0.158 0.000 1.156 368 T CB -0.511 68.204 68.868 -0.254 0.000 0.863 368 T HN 0.135 nan 8.240 nan 0.000 0.430 369 F N 1.328 121.262 119.950 -0.026 0.000 2.161 369 F HA -0.098 4.429 4.527 -0.001 0.000 0.300 369 F C 2.659 178.428 175.800 -0.052 0.000 1.089 369 F CA 0.468 58.447 58.000 -0.034 0.000 1.282 369 F CB -1.640 37.352 39.000 -0.014 0.000 1.010 369 F HN 0.130 nan 8.300 nan 0.000 0.485 370 V N -1.597 118.387 119.914 0.117 0.000 2.407 370 V HA 0.010 4.130 4.120 -0.000 0.000 0.245 370 V C 2.416 178.481 176.094 -0.048 0.000 1.041 370 V CA 1.257 63.581 62.300 0.040 0.000 1.040 370 V CB -1.608 30.236 31.823 0.035 0.000 0.671 370 V HN 0.175 nan 8.190 nan 0.000 0.455 371 A N -0.076 122.605 122.820 -0.231 0.000 1.978 371 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 371 A C 2.210 179.621 177.584 -0.288 0.000 1.170 371 A CA 2.191 53.854 52.037 -0.623 0.000 0.636 371 A CB -0.587 17.610 19.000 -1.338 0.000 0.810 371 A HN 0.728 nan 8.150 nan 0.000 0.448 372 Q N -2.126 117.596 119.800 -0.129 0.000 2.392 372 Q HA 0.252 4.592 4.340 -0.000 0.000 0.203 372 Q C 1.058 177.064 176.000 0.010 0.000 0.917 372 Q CA 0.330 56.113 55.803 -0.033 0.000 0.939 372 Q CB 0.275 29.023 28.738 0.017 0.000 1.063 372 Q HN 0.882 nan 8.270 nan 0.000 0.516 373 G N 1.706 110.516 108.800 0.016 0.000 2.160 373 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.251 373 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.251 373 G C 0.864 175.773 174.900 0.016 0.000 1.008 373 G CA 0.543 45.658 45.100 0.024 0.000 0.724 373 G HN 0.131 nan 8.290 nan 0.000 0.514 374 K N -0.432 119.981 120.400 0.021 0.000 2.031 374 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 374 K C 1.330 177.902 176.600 -0.046 0.000 1.049 374 K CA 1.238 57.508 56.287 -0.028 0.000 0.939 374 K CB -0.000 32.455 32.500 -0.075 0.000 0.717 374 K HN 0.688 nan 8.250 nan 0.000 0.438 375 Q N 0.517 120.313 119.800 -0.007 0.000 2.413 375 Q HA 0.212 4.552 4.340 -0.000 0.000 0.276 375 Q C -0.487 175.529 176.000 0.027 0.000 1.099 375 Q CA -0.544 55.255 55.803 -0.007 0.000 0.814 375 Q CB 2.034 30.767 28.738 -0.009 0.000 1.379 375 Q HN 0.149 nan 8.270 nan 0.000 0.436 376 T N -2.077 112.487 114.554 0.016 0.000 2.899 376 T HA 0.159 4.509 4.350 -0.000 0.000 0.295 376 T C -1.935 172.782 174.700 0.029 0.000 1.033 376 T CA -1.370 60.742 62.100 0.020 0.000 1.084 376 T CB 0.649 69.523 68.868 0.010 0.000 0.979 376 T HN 0.216 nan 8.240 nan 0.000 0.532 377 P HA -0.154 nan 4.420 nan 0.000 0.216 377 P C 1.502 178.818 177.300 0.026 0.000 1.157 377 P CA 1.250 64.365 63.100 0.025 0.000 0.880 377 P CB 0.092 31.799 31.700 0.012 0.000 0.791 378 E N -0.632 119.579 120.200 0.018 0.000 2.077 378 E HA -0.242 4.107 4.350 -0.000 0.000 0.193 378 E C 2.174 178.784 176.600 0.016 0.000 0.989 378 E CA 1.416 57.825 56.400 0.015 0.000 0.800 378 E CB -0.694 29.011 29.700 0.008 0.000 0.746 378 E HN 0.001 nan 8.360 nan 0.000 0.452 379 Q N -0.138 119.672 119.800 0.016 0.000 2.083 379 Q HA 0.069 4.409 4.340 -0.000 0.000 0.198 379 Q C 1.982 178.001 176.000 0.031 0.000 0.969 379 Q CA 1.912 57.724 55.803 0.014 0.000 0.838 379 Q CB -0.629 28.110 28.738 0.002 0.000 0.900 379 Q HN 0.333 nan 8.270 nan 0.000 0.436 380 A N 0.102 122.954 122.820 0.054 0.000 1.940 380 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 380 A C 2.069 179.693 177.584 0.066 0.000 1.176 380 A CA 1.429 53.526 52.037 0.101 0.000 0.631 380 A CB -0.736 18.343 19.000 0.131 0.000 0.814 380 A HN 0.437 nan 8.150 nan 0.000 0.446 381 L N -0.634 120.610 121.223 0.035 0.000 2.044 381 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 381 L C 2.386 179.256 176.870 0.000 0.000 1.075 381 L CA 1.153 55.998 54.840 0.009 0.000 0.747 381 L CB -0.763 41.309 42.059 0.021 0.000 0.903 381 L HN 0.346 nan 8.230 nan 0.000 0.435 382 N N 0.416 119.121 118.700 0.009 0.000 2.036 382 N HA -0.206 4.534 4.740 -0.000 0.000 0.195 382 N C 1.454 176.968 175.510 0.007 0.000 1.037 382 N CA 1.642 54.695 53.050 0.005 0.000 0.855 382 N CB -0.525 37.966 38.487 0.007 0.000 1.033 382 N HN 0.275 nan 8.380 nan 0.000 0.423 383 D N 0.839 121.251 120.400 0.019 0.000 2.133 383 D HA -0.121 4.518 4.640 -0.000 0.000 0.195 383 D C 1.835 178.151 176.300 0.026 0.000 0.997 383 D CA 1.374 55.391 54.000 0.029 0.000 0.840 383 D CB -0.462 40.370 40.800 0.053 0.000 0.947 383 D HN 0.273 nan 8.370 nan 0.000 0.452 384 A N 0.861 123.692 122.820 0.019 0.000 1.851 384 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 384 A C 2.561 180.122 177.584 -0.040 0.000 1.195 384 A CA 2.740 54.769 52.037 -0.014 0.000 0.622 384 A CB -1.106 17.866 19.000 -0.047 0.000 0.831 384 A HN 0.223 nan 8.150 nan 0.000 0.444 385 V N -1.176 118.710 119.914 -0.048 0.000 2.407 385 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 385 V C 2.271 178.353 176.094 -0.020 0.000 1.055 385 V CA 2.613 64.884 62.300 -0.048 0.000 1.049 385 V CB -1.082 30.715 31.823 -0.044 0.000 0.662 385 V HN 0.609 nan 8.190 nan 0.000 0.455 386 K N 0.457 120.852 120.400 -0.009 0.000 2.009 386 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 386 K C 2.145 178.746 176.600 0.001 0.000 1.049 386 K CA 2.482 58.769 56.287 0.000 0.000 0.929 386 K CB -0.385 32.118 32.500 0.004 0.000 0.714 386 K HN 0.557 nan 8.250 nan 0.000 0.440 387 I N 0.891 121.463 120.570 0.002 0.000 2.179 387 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 387 I C 2.543 178.659 176.117 -0.003 0.000 1.088 387 I CA 1.366 62.669 61.300 0.005 0.000 1.357 387 I CB -0.160 37.848 38.000 0.015 0.000 1.051 387 I HN 0.267 nan 8.210 nan 0.000 0.409 388 M N 0.142 119.732 119.600 -0.016 0.000 2.088 388 M HA -0.302 4.178 4.480 -0.000 0.000 0.256 388 M C 2.276 178.579 176.300 0.004 0.000 1.071 388 M CA 2.017 57.307 55.300 -0.018 0.000 1.097 388 M CB -0.480 32.094 32.600 -0.043 0.000 1.315 388 M HN 0.082 nan 8.290 nan 0.000 0.406 389 K N -0.152 120.252 120.400 0.007 0.000 2.097 389 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 389 K C 1.804 178.411 176.600 0.011 0.000 1.049 389 K CA 1.393 57.689 56.287 0.016 0.000 0.933 389 K CB -0.147 32.362 32.500 0.015 0.000 0.717 389 K HN 0.449 nan 8.250 nan 0.000 0.442 390 E N 0.383 120.587 120.200 0.007 0.000 2.158 390 E HA -0.074 4.275 4.350 -0.000 0.000 0.191 390 E C 1.822 178.425 176.600 0.005 0.000 0.982 390 E CA 0.562 56.965 56.400 0.006 0.000 0.823 390 E CB 0.276 29.979 29.700 0.006 0.000 0.766 390 E HN 0.103 nan 8.360 nan 0.000 0.468 391 K N 0.792 121.195 120.400 0.004 0.000 2.057 391 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 391 K C 2.063 178.665 176.600 0.002 0.000 1.050 391 K CA 0.747 57.035 56.287 0.002 0.000 0.935 391 K CB -0.239 32.262 32.500 0.001 0.000 0.715 391 K HN 0.194 nan 8.250 nan 0.000 0.439 392 I N 1.736 122.310 120.570 0.007 0.000 2.236 392 I HA -0.285 3.885 4.170 -0.000 0.000 0.249 392 I C 2.014 178.132 176.117 0.002 0.000 1.102 392 I CA 1.478 62.782 61.300 0.006 0.000 1.365 392 I CB -0.861 37.148 38.000 0.015 0.000 1.051 392 I HN 0.230 nan 8.210 nan 0.000 0.420 393 Q N 0.079 119.881 119.800 0.003 0.000 2.378 393 Q HA -0.024 4.316 4.340 -0.000 0.000 0.205 393 Q C 1.979 177.979 176.000 0.001 0.000 0.954 393 Q CA 0.897 56.701 55.803 0.002 0.000 0.901 393 Q CB -0.424 28.316 28.738 0.003 0.000 0.981 393 Q HN 0.499 nan 8.270 nan 0.000 0.483 394 T N 0.574 115.127 114.554 -0.000 0.000 3.118 394 T HA 0.083 4.432 4.350 -0.000 0.000 0.260 394 T C 1.589 176.286 174.700 -0.004 0.000 1.139 394 T CA 0.511 62.609 62.100 -0.002 0.000 1.085 394 T CB -0.019 68.847 68.868 -0.003 0.000 0.934 394 T HN 0.224 nan 8.240 nan 0.000 0.518 395 M N -0.212 119.385 119.600 -0.005 0.000 2.465 395 M HA 0.237 4.716 4.480 -0.000 0.000 0.249 395 M C 0.548 176.846 176.300 -0.003 0.000 1.130 395 M CA 0.448 55.744 55.300 -0.006 0.000 1.067 395 M CB 0.287 32.880 32.600 -0.011 0.000 1.394 395 M HN -0.071 nan 8.290 nan 0.000 0.483 396 K N 1.234 121.633 120.400 -0.001 0.000 2.098 396 K HA 0.354 4.674 4.320 -0.000 0.000 0.258 396 K C -0.158 176.443 176.600 0.002 0.000 0.973 396 K CA -0.513 55.774 56.287 0.000 0.000 0.898 396 K CB 0.967 33.467 32.500 0.000 0.000 1.057 396 K HN -0.023 nan 8.250 nan 0.000 0.447 397 Q N 0.000 119.801 119.800 0.002 0.000 2.315 397 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 397 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 397 Q CB 0.000 28.739 28.738 0.003 0.000 1.108 397 Q HN 0.000 nan 8.270 nan 0.000 0.481