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 2oam_1_B DATA FIRST_RESID 2 DATA SEQUENCE SGKIDKILIV GGGTAGWMAA SYLGKALQGT ADITLLQAPD IPTLGVGEAT DATA SEQUENCE IPNLQTAFFD FLGIPEDEWM RECNASYKVA IKFINWRTAG EGTSEARELD DATA SEQUENCE GGPDHFYHSF GLLKYHEQIP LSHYWFDRSY RGKTVEPFDY ACYKEPVILD DATA SEQUENCE ANRSPRRLDG SKVTNYAWHF DAHLVADFLR RFATEKLGVR HVEDRVEHVQ DATA SEQUENCE RDANGNIESV RTATGRVFDA DLFVDCSGFR GLLINKAMEE PFLDMSDHLL DATA SEQUENCE NDSAVATQVP HDDDANGVEP FTSAIAMKSG WTWKIPMLGR FGTGYVYSSR DATA SEQUENCE FATEDEAVRE FCEMWHLDPE TQPLNRIRFR VGRNRRAWVG NCVSIGTSSC DATA SEQUENCE FVEPLESTGI YFVYAALYQL VKHFPDKSLN PVLTARFNRE IETMFDDTRD DATA SEQUENCE FIQAHFYFSP RTDTPFWRAN KELRLADGMQ EKIDMYRAGM AINAPASDDX DATA SEQUENCE XXXYGNFEEE FRNFWNNSNY YCVLAGLGLV PDAPSPRLAH MPQATESVDE DATA SEQUENCE VFGAVKDRQR NLLETLPSLH EFLRQQHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.613 174.600 0.021 0.000 1.055 2 S CA 0.000 58.211 58.200 0.018 0.000 1.107 2 S CB 0.000 63.209 63.200 0.016 0.000 0.593 3 G N 2.442 111.255 108.800 0.022 0.000 2.588 3 G HA2 0.536 4.501 3.960 0.008 0.000 0.281 3 G HA3 0.536 4.501 3.960 0.008 0.000 0.281 3 G C 0.084 175.004 174.900 0.033 0.000 1.236 3 G CA -0.840 44.275 45.100 0.025 0.000 0.969 3 G HN 0.893 nan 8.290 nan 0.000 0.504 4 K N -1.233 119.193 120.400 0.043 0.000 2.273 4 K HA 0.351 4.676 4.320 0.008 0.000 0.240 4 K C -0.036 176.604 176.600 0.067 0.000 1.056 4 K CA -0.738 55.591 56.287 0.069 0.000 0.910 4 K CB 0.516 33.062 32.500 0.077 0.000 1.196 4 K HN 0.104 nan 8.250 nan 0.000 0.509 5 I N 2.342 122.978 120.570 0.110 0.000 2.533 5 I HA -0.047 4.127 4.170 0.008 0.000 0.284 5 I C 0.372 176.532 176.117 0.073 0.000 1.109 5 I CA 0.336 61.689 61.300 0.088 0.000 1.412 5 I CB 0.653 38.746 38.000 0.156 0.000 1.396 5 I HN 0.719 nan 8.210 nan 0.000 0.543 6 D N 5.133 125.550 120.400 0.028 0.000 2.394 6 D HA 0.103 4.748 4.640 0.008 0.000 0.226 6 D C 0.340 176.636 176.300 -0.007 0.000 0.990 6 D CA 0.860 54.867 54.000 0.013 0.000 0.902 6 D CB 0.806 41.609 40.800 0.006 0.000 1.038 6 D HN 0.466 nan 8.370 nan 0.000 0.499 7 K N 0.616 120.998 120.400 -0.031 0.000 2.378 7 K HA 0.599 4.923 4.320 0.008 0.000 0.252 7 K C -0.681 175.838 176.600 -0.135 0.000 0.931 7 K CA -0.445 55.802 56.287 -0.068 0.000 0.794 7 K CB 3.000 35.459 32.500 -0.068 0.000 1.181 7 K HN -0.158 nan 8.250 nan 0.000 0.425 8 I N 3.357 123.843 120.570 -0.141 0.000 2.498 8 I HA 0.313 4.487 4.170 0.008 0.000 0.290 8 I C -1.294 174.678 176.117 -0.241 0.000 1.032 8 I CA -1.157 60.021 61.300 -0.204 0.000 1.073 8 I CB 1.771 39.709 38.000 -0.103 0.000 1.251 8 I HN 0.329 nan 8.210 nan 0.000 0.426 9 L N 7.925 128.925 121.223 -0.372 0.000 2.325 9 L HA 0.592 4.937 4.340 0.008 0.000 0.281 9 L C -0.881 175.873 176.870 -0.193 0.000 1.004 9 L CA -0.083 54.588 54.840 -0.281 0.000 0.823 9 L CB 1.203 43.079 42.059 -0.306 0.000 1.236 9 L HN 0.396 nan 8.230 nan 0.000 0.415 10 I N 5.781 126.239 120.570 -0.185 0.000 2.331 10 I HA 0.345 4.520 4.170 0.008 0.000 0.292 10 I C -0.615 175.389 176.117 -0.187 0.000 0.998 10 I CA -0.802 60.387 61.300 -0.185 0.000 1.267 10 I CB 1.660 39.509 38.000 -0.252 0.000 1.386 10 I HN 0.255 nan 8.210 nan 0.000 0.476 11 V N 5.709 125.544 119.914 -0.130 0.000 2.328 11 V HA 0.785 4.910 4.120 0.008 0.000 0.278 11 V C 0.345 176.354 176.094 -0.142 0.000 1.021 11 V CA -0.331 61.898 62.300 -0.119 0.000 0.838 11 V CB 0.829 32.622 31.823 -0.050 0.000 0.999 11 V HN 1.059 nan 8.190 nan 0.000 0.447 12 G N 3.429 112.125 108.800 -0.173 0.000 3.187 12 G HA2 0.296 4.261 3.960 0.008 0.000 0.682 12 G HA3 0.296 4.261 3.960 0.008 0.000 0.682 12 G C -0.091 174.634 174.900 -0.291 0.000 1.266 12 G CA -0.453 44.545 45.100 -0.170 0.000 0.902 12 G HN 1.184 nan 8.290 nan 0.000 0.589 13 G N 0.589 109.246 108.800 -0.239 0.000 4.912 13 G HA2 0.716 4.681 3.960 0.008 0.000 0.307 13 G HA3 0.716 4.681 3.960 0.008 0.000 0.307 13 G C 0.685 175.543 174.900 -0.071 0.000 1.381 13 G CA 0.828 45.689 45.100 -0.399 0.000 1.057 13 G HN 1.279 nan 8.290 nan 0.000 0.593 14 G N -0.137 108.627 108.800 -0.059 0.000 2.940 14 G HA2 0.394 4.359 3.960 0.008 0.000 0.164 14 G HA3 0.394 4.359 3.960 0.008 0.000 0.164 14 G C 1.125 176.097 174.900 0.119 0.000 1.326 14 G CA 0.465 45.615 45.100 0.085 0.000 1.020 14 G HN 0.067 nan 8.290 nan 0.000 0.586 15 T N 1.116 115.711 114.554 0.068 0.000 2.652 15 T HA -0.100 4.255 4.350 0.008 0.000 0.267 15 T C 2.728 177.442 174.700 0.023 0.000 1.039 15 T CA 2.213 64.356 62.100 0.071 0.000 1.153 15 T CB -0.557 68.329 68.868 0.030 0.000 0.863 15 T HN 0.552 nan 8.240 nan 0.000 0.428 16 A N 1.370 124.168 122.820 -0.038 0.000 1.877 16 A HA 0.132 4.457 4.320 0.008 0.000 0.216 16 A C 2.643 180.168 177.584 -0.097 0.000 1.186 16 A CA 1.927 53.920 52.037 -0.072 0.000 0.620 16 A CB -1.467 17.482 19.000 -0.084 0.000 0.822 16 A HN 0.511 nan 8.150 nan 0.000 0.443 17 G N -1.342 107.357 108.800 -0.168 0.000 2.491 17 G HA2 -0.299 3.666 3.960 0.008 0.000 0.218 17 G HA3 -0.299 3.666 3.960 0.008 0.000 0.218 17 G C 1.418 176.091 174.900 -0.378 0.000 1.180 17 G CA 1.045 45.944 45.100 -0.335 0.000 0.774 17 G HN 0.684 nan 8.290 nan 0.000 0.562 18 W N 0.189 121.475 121.300 -0.024 0.000 2.519 18 W HA 0.227 4.891 4.660 0.008 0.000 0.266 18 W C 2.877 179.443 176.519 0.079 0.000 1.253 18 W CA 0.145 57.494 57.345 0.007 0.000 1.274 18 W CB -0.057 29.407 29.460 0.006 0.000 1.114 18 W HN 0.130 nan 8.180 nan 0.000 0.596 19 M N -0.362 119.369 119.600 0.218 0.000 2.156 19 M HA -0.114 4.371 4.480 0.008 0.000 0.264 19 M C 2.446 178.907 176.300 0.268 0.000 1.067 19 M CA 1.767 57.205 55.300 0.229 0.000 1.131 19 M CB -0.619 31.923 32.600 -0.097 0.000 1.368 19 M HN 0.043 nan 8.290 nan 0.000 0.416 20 A N 0.447 123.328 122.820 0.101 0.000 1.877 20 A HA -0.067 4.257 4.320 0.008 0.000 0.216 20 A C 2.348 179.999 177.584 0.113 0.000 1.186 20 A CA 1.905 53.985 52.037 0.073 0.000 0.620 20 A CB -0.987 17.986 19.000 -0.045 0.000 0.822 20 A HN 0.483 nan 8.150 nan 0.000 0.443 21 A N -0.515 122.347 122.820 0.070 0.000 1.908 21 A HA -0.098 4.227 4.320 0.008 0.000 0.218 21 A C 2.468 180.166 177.584 0.191 0.000 1.181 21 A CA 2.246 54.338 52.037 0.091 0.000 0.627 21 A CB -0.864 18.191 19.000 0.092 0.000 0.818 21 A HN 0.466 nan 8.150 nan 0.000 0.445 22 S N -1.973 113.907 115.700 0.301 0.000 2.345 22 S HA -0.108 4.367 4.470 0.008 0.000 0.219 22 S C 1.871 176.628 174.600 0.262 0.000 1.031 22 S CA 1.306 59.698 58.200 0.320 0.000 0.984 22 S CB -0.587 62.862 63.200 0.416 0.000 0.874 22 S HN 0.637 nan 8.310 nan 0.000 0.451 23 Y N 2.196 122.615 120.300 0.197 0.000 2.097 23 Y HA -0.107 4.448 4.550 0.008 0.000 0.282 23 Y C 2.033 178.017 175.900 0.140 0.000 1.152 23 Y CA 1.437 59.643 58.100 0.178 0.000 1.136 23 Y CB -0.350 38.202 38.460 0.152 0.000 0.975 23 Y HN 0.131 nan 8.280 nan 0.000 0.498 24 L N -1.197 120.169 121.223 0.238 0.000 2.093 24 L HA -0.160 4.185 4.340 0.008 0.000 0.208 24 L C 2.656 179.523 176.870 -0.006 0.000 1.085 24 L CA 1.198 56.086 54.840 0.081 0.000 0.755 24 L CB -1.191 40.900 42.059 0.053 0.000 0.904 24 L HN 0.374 nan 8.230 nan 0.000 0.435 25 G N 0.047 108.857 108.800 0.017 0.000 2.432 25 G HA2 -0.304 3.660 3.960 0.008 0.000 0.219 25 G HA3 -0.304 3.660 3.960 0.008 0.000 0.219 25 G C 1.686 176.539 174.900 -0.078 0.000 1.135 25 G CA 0.914 45.992 45.100 -0.037 0.000 0.767 25 G HN 0.207 nan 8.290 nan 0.000 0.550 26 K N 0.831 121.194 120.400 -0.061 0.000 2.076 26 K HA 0.305 4.629 4.320 0.008 0.000 0.204 26 K C 2.636 179.130 176.600 -0.177 0.000 1.051 26 K CA 1.303 57.505 56.287 -0.141 0.000 0.949 26 K CB -0.478 31.914 32.500 -0.181 0.000 0.726 26 K HN 0.121 nan 8.250 nan 0.000 0.443 27 A N 0.316 123.083 122.820 -0.089 0.000 1.969 27 A HA 0.036 4.361 4.320 0.008 0.000 0.218 27 A C 1.564 179.057 177.584 -0.151 0.000 1.169 27 A CA 1.232 53.230 52.037 -0.064 0.000 0.635 27 A CB -0.354 18.629 19.000 -0.029 0.000 0.810 27 A HN 0.301 nan 8.150 nan 0.000 0.445 28 L N -0.580 120.540 121.223 -0.171 0.000 2.910 28 L HA 0.208 4.553 4.340 0.008 0.000 0.252 28 L C 0.665 177.458 176.870 -0.129 0.000 1.195 28 L CA -0.387 54.342 54.840 -0.185 0.000 1.003 28 L CB -0.189 41.731 42.059 -0.232 0.000 1.328 28 L HN 0.390 nan 8.230 nan 0.000 0.540 29 Q N 1.570 121.296 119.800 -0.124 0.000 2.320 29 Q HA 0.079 4.424 4.340 0.008 0.000 0.311 29 Q C 1.317 177.263 176.000 -0.091 0.000 1.083 29 Q CA 1.277 57.014 55.803 -0.110 0.000 1.001 29 Q CB 0.294 28.957 28.738 -0.125 0.000 1.074 29 Q HN 0.505 nan 8.270 nan 0.000 0.379 30 G N 2.583 111.337 108.800 -0.077 0.000 2.179 30 G HA2 -0.301 3.664 3.960 0.008 0.000 0.260 30 G HA3 -0.301 3.664 3.960 0.008 0.000 0.260 30 G C 0.457 175.327 174.900 -0.051 0.000 0.977 30 G CA 0.628 45.691 45.100 -0.061 0.000 0.641 30 G HN 0.831 nan 8.290 nan 0.000 0.533 31 T N -3.611 110.910 114.554 -0.056 0.000 3.170 31 T HA 0.764 5.119 4.350 0.008 0.000 0.288 31 T C 0.302 174.983 174.700 -0.032 0.000 0.992 31 T CA 1.013 63.088 62.100 -0.042 0.000 0.909 31 T CB 0.948 69.786 68.868 -0.048 0.000 1.133 31 T HN 1.989 nan 8.240 nan 0.000 0.530 32 A N 0.759 123.556 122.820 -0.038 0.000 2.555 32 A HA 0.587 4.912 4.320 0.008 0.000 0.297 32 A C -1.964 175.601 177.584 -0.031 0.000 1.060 32 A CA -0.824 51.198 52.037 -0.025 0.000 0.710 32 A CB 1.126 20.112 19.000 -0.023 0.000 1.282 32 A HN 0.192 nan 8.150 nan 0.000 0.399 33 D N 1.978 122.364 120.400 -0.024 0.000 2.274 33 D HA 0.524 5.169 4.640 0.008 0.000 0.239 33 D C -0.394 175.887 176.300 -0.031 0.000 1.104 33 D CA 0.439 54.425 54.000 -0.022 0.000 0.840 33 D CB 1.365 42.158 40.800 -0.011 0.000 1.100 33 D HN 0.455 nan 8.370 nan 0.000 0.477 34 I N 1.382 121.935 120.570 -0.029 0.000 2.404 34 I HA 0.246 4.421 4.170 0.008 0.000 0.293 34 I C 0.197 176.296 176.117 -0.029 0.000 0.992 34 I CA -0.402 60.873 61.300 -0.042 0.000 1.149 34 I CB 1.959 39.935 38.000 -0.040 0.000 1.315 34 I HN 0.019 nan 8.210 nan 0.000 0.446 35 T N 6.774 121.292 114.554 -0.059 0.000 2.861 35 T HA 0.525 4.880 4.350 0.008 0.000 0.287 35 T C -0.768 173.845 174.700 -0.144 0.000 1.003 35 T CA -0.456 61.611 62.100 -0.055 0.000 0.977 35 T CB 1.806 70.659 68.868 -0.026 0.000 0.996 35 T HN 0.351 nan 8.240 nan 0.000 0.448 36 L N 3.908 125.041 121.223 -0.150 0.000 2.325 36 L HA 0.660 5.005 4.340 0.008 0.000 0.281 36 L C -1.385 175.365 176.870 -0.200 0.000 1.004 36 L CA -1.035 53.634 54.840 -0.286 0.000 0.823 36 L CB 1.016 42.716 42.059 -0.598 0.000 1.236 36 L HN 0.457 nan 8.230 nan 0.000 0.415 37 L N 5.075 126.151 121.223 -0.245 0.000 2.255 37 L HA 0.425 4.770 4.340 0.008 0.000 0.289 37 L C -0.420 176.384 176.870 -0.110 0.000 1.046 37 L CA 0.426 55.143 54.840 -0.204 0.000 0.816 37 L CB 1.301 43.185 42.059 -0.291 0.000 1.197 37 L HN 0.686 nan 8.230 nan 0.000 0.427 38 Q N 4.188 124.002 119.800 0.023 0.000 2.310 38 Q HA 0.769 5.113 4.340 0.008 0.000 0.270 38 Q C -1.292 174.770 176.000 0.103 0.000 1.025 38 Q CA -0.776 55.072 55.803 0.076 0.000 0.772 38 Q CB 1.780 30.647 28.738 0.215 0.000 1.253 38 Q HN 0.764 nan 8.270 nan 0.000 0.450 39 A N 5.219 128.077 122.820 0.063 0.000 2.328 39 A HA 0.562 4.887 4.320 0.008 0.000 0.284 39 A C -2.251 175.383 177.584 0.083 0.000 1.160 39 A CA -1.364 50.710 52.037 0.062 0.000 0.818 39 A CB 0.232 19.256 19.000 0.040 0.000 1.087 39 A HN 0.677 nan 8.150 nan 0.000 0.504 40 P HA 0.234 nan 4.420 nan 0.000 0.280 40 P C -1.392 175.950 177.300 0.069 0.000 1.300 40 P CA 0.103 63.253 63.100 0.084 0.000 0.785 40 P CB 0.901 32.642 31.700 0.070 0.000 0.874 41 D N 3.468 123.914 120.400 0.077 0.000 2.592 41 D HA 0.212 4.857 4.640 0.008 0.000 0.263 41 D C 0.212 176.555 176.300 0.071 0.000 1.132 41 D CA -1.055 52.985 54.000 0.066 0.000 0.996 41 D CB 1.489 42.326 40.800 0.062 0.000 1.442 41 D HN 0.315 nan 8.370 nan 0.000 0.486 42 I N -1.662 118.945 120.570 0.062 0.000 2.587 42 I HA 0.275 4.450 4.170 0.008 0.000 0.284 42 I C -2.202 173.961 176.117 0.077 0.000 1.134 42 I CA -1.143 60.193 61.300 0.060 0.000 1.410 42 I CB -0.368 37.661 38.000 0.048 0.000 1.392 42 I HN 0.051 nan 8.210 nan 0.000 0.545 43 P HA 0.240 nan 4.420 nan 0.000 0.274 43 P C -0.095 177.254 177.300 0.081 0.000 1.246 43 P CA -0.307 62.849 63.100 0.094 0.000 0.795 43 P CB 0.707 32.418 31.700 0.017 0.000 1.006 44 T N -1.746 112.901 114.554 0.155 0.000 2.910 44 T HA 0.555 4.910 4.350 0.008 0.000 0.279 44 T C 0.319 175.058 174.700 0.065 0.000 0.989 44 T CA -0.899 61.295 62.100 0.157 0.000 0.968 44 T CB 0.225 69.254 68.868 0.269 0.000 1.135 44 T HN 0.104 nan 8.240 nan 0.000 0.562 45 L N 0.595 121.887 121.223 0.115 0.000 2.453 45 L HA 0.474 4.819 4.340 0.008 0.000 0.261 45 L C 1.413 178.401 176.870 0.196 0.000 1.179 45 L CA -0.721 54.170 54.840 0.085 0.000 0.813 45 L CB 0.244 42.362 42.059 0.098 0.000 1.110 45 L HN 1.009 nan 8.230 nan 0.000 0.466 46 G N 0.841 109.735 108.800 0.158 0.000 2.916 46 G HA2 0.285 4.249 3.960 0.008 0.000 0.280 46 G HA3 0.285 4.249 3.960 0.008 0.000 0.280 46 G C 0.956 176.015 174.900 0.265 0.000 0.758 46 G CA -0.252 45.029 45.100 0.301 0.000 1.993 46 G HN 0.610 nan 8.290 nan 0.000 0.564 47 V N 0.411 120.515 119.914 0.317 0.000 3.444 47 V HA 0.417 4.542 4.120 0.008 0.000 0.271 47 V C 1.239 177.580 176.094 0.412 0.000 1.188 47 V CA 0.155 62.681 62.300 0.378 0.000 1.168 47 V CB -1.515 30.617 31.823 0.514 0.000 0.810 47 V HN 1.481 nan 8.190 nan 0.000 0.500 48 G N -0.146 108.814 108.800 0.265 0.000 2.777 48 G HA2 -0.070 3.895 3.960 0.008 0.000 0.686 48 G HA3 -0.070 3.895 3.960 0.008 0.000 0.686 48 G C -0.815 174.055 174.900 -0.050 0.000 1.177 48 G CA -0.350 44.837 45.100 0.144 0.000 0.775 48 G HN 0.492 nan 8.290 nan 0.000 0.613 49 E N -0.022 120.083 120.200 -0.159 0.000 2.234 49 E HA 0.666 5.021 4.350 0.008 0.000 0.266 49 E C 0.276 176.679 176.600 -0.328 0.000 0.877 49 E CA -0.165 56.057 56.400 -0.296 0.000 0.758 49 E CB 2.076 31.576 29.700 -0.332 0.000 1.170 49 E HN 1.231 nan 8.360 nan 0.000 0.415 50 A N 2.115 124.833 122.820 -0.170 0.000 2.312 50 A HA 0.741 5.066 4.320 0.008 0.000 0.326 50 A C 0.235 177.864 177.584 0.076 0.000 1.172 50 A CA -0.337 51.735 52.037 0.058 0.000 0.821 50 A CB 0.828 19.892 19.000 0.107 0.000 1.166 50 A HN 0.634 nan 8.150 nan 0.000 0.493 51 T N -1.033 113.646 114.554 0.208 0.000 2.724 51 T HA 0.782 5.137 4.350 0.008 0.000 0.274 51 T C -0.091 174.803 174.700 0.324 0.000 0.984 51 T CA -0.289 61.984 62.100 0.288 0.000 1.024 51 T CB 0.776 69.912 68.868 0.447 0.000 1.320 51 T HN 1.225 nan 8.240 nan 0.000 0.555 52 I N -2.662 118.079 120.570 0.285 0.000 2.892 52 I HA 0.569 4.744 4.170 0.008 0.000 0.306 52 I C -2.488 173.560 176.117 -0.114 0.000 1.078 52 I CA -3.296 58.009 61.300 0.008 0.000 1.032 52 I CB 2.157 40.234 38.000 0.128 0.000 1.229 52 I HN 0.289 nan 8.210 nan 0.000 0.435 53 P HA -0.236 nan 4.420 nan 0.000 0.218 53 P C 0.707 177.987 177.300 -0.034 0.000 1.154 53 P CA 1.990 64.721 63.100 -0.614 0.000 0.872 53 P CB -0.294 30.556 31.700 -1.416 0.000 0.790 54 N N -0.670 118.100 118.700 0.117 0.000 2.575 54 N HA -0.092 4.653 4.740 0.008 0.000 0.192 54 N C 1.278 176.899 175.510 0.184 0.000 1.200 54 N CA 0.301 53.529 53.050 0.296 0.000 0.897 54 N CB -1.295 37.512 38.487 0.533 0.000 0.990 54 N HN 0.129 nan 8.380 nan 0.000 0.449 55 L N -0.326 121.051 121.223 0.257 0.000 2.056 55 L HA -0.069 4.276 4.340 0.008 0.000 0.207 55 L C 2.294 179.140 176.870 -0.039 0.000 1.078 55 L CA 1.764 56.602 54.840 -0.002 0.000 0.749 55 L CB -0.808 41.450 42.059 0.332 0.000 0.901 55 L HN 0.215 nan 8.230 nan 0.000 0.433 56 Q N -0.559 119.348 119.800 0.178 0.000 2.033 56 Q HA -0.137 4.208 4.340 0.008 0.000 0.196 56 Q C 2.247 178.336 176.000 0.149 0.000 0.970 56 Q CA 2.626 58.547 55.803 0.197 0.000 0.828 56 Q CB -0.605 28.319 28.738 0.309 0.000 0.895 56 Q HN 0.673 nan 8.270 nan 0.000 0.440 57 T N -2.286 112.360 114.554 0.154 0.000 2.867 57 T HA 0.061 4.416 4.350 0.008 0.000 0.268 57 T C 1.705 176.460 174.700 0.091 0.000 1.057 57 T CA 1.129 63.313 62.100 0.140 0.000 1.136 57 T CB -0.352 68.626 68.868 0.184 0.000 0.874 57 T HN 0.270 nan 8.240 nan 0.000 0.466 58 A N -0.891 121.923 122.820 -0.011 0.000 2.095 58 A HA 0.511 4.836 4.320 0.008 0.000 0.212 58 A C 1.669 179.134 177.584 -0.198 0.000 1.162 58 A CA 0.142 52.074 52.037 -0.175 0.000 0.753 58 A CB -0.378 18.376 19.000 -0.410 0.000 0.840 58 A HN 0.495 nan 8.150 nan 0.000 0.468 59 F N -1.857 117.814 119.950 -0.464 0.000 2.534 59 F HA 0.309 4.841 4.527 0.008 0.000 0.274 59 F C 1.584 177.215 175.800 -0.281 0.000 0.917 59 F CA 0.142 57.874 58.000 -0.445 0.000 1.145 59 F CB -0.279 38.184 39.000 -0.896 0.000 1.145 59 F HN 0.102 nan 8.300 nan 0.000 0.746 60 F N 1.675 121.444 119.950 -0.301 0.000 2.134 60 F HA -0.171 4.361 4.527 0.008 0.000 0.299 60 F C 2.278 177.934 175.800 -0.240 0.000 1.097 60 F CA 1.753 59.519 58.000 -0.390 0.000 1.264 60 F CB -0.891 37.893 39.000 -0.359 0.000 1.001 60 F HN 0.050 nan 8.300 nan 0.000 0.479 61 D N -0.774 119.664 120.400 0.063 0.000 2.178 61 D HA -0.195 4.450 4.640 0.008 0.000 0.201 61 D C 2.104 178.401 176.300 -0.005 0.000 0.980 61 D CA 0.876 54.905 54.000 0.049 0.000 0.842 61 D CB -0.568 40.286 40.800 0.089 0.000 0.948 61 D HN 0.245 nan 8.370 nan 0.000 0.472 62 F N 0.979 120.830 119.950 -0.165 0.000 2.234 62 F HA -0.041 4.491 4.527 0.007 0.000 0.299 62 F C 1.925 177.560 175.800 -0.275 0.000 1.087 62 F CA 0.932 58.805 58.000 -0.210 0.000 1.340 62 F CB -0.023 38.834 39.000 -0.238 0.000 1.031 62 F HN -0.110 nan 8.300 nan 0.000 0.500 63 L N -0.436 120.611 121.223 -0.294 0.000 2.492 63 L HA 0.194 4.539 4.340 0.008 0.000 0.223 63 L C 1.725 178.465 176.870 -0.218 0.000 1.132 63 L CA 0.705 55.353 54.840 -0.320 0.000 0.850 63 L CB -0.948 40.812 42.059 -0.498 0.000 0.966 63 L HN 0.370 nan 8.230 nan 0.000 0.454 64 G N 1.211 109.904 108.800 -0.177 0.000 2.137 64 G HA2 -0.265 3.700 3.960 0.008 0.000 0.237 64 G HA3 -0.265 3.700 3.960 0.008 0.000 0.237 64 G C 0.051 174.917 174.900 -0.057 0.000 1.002 64 G CA -0.238 44.804 45.100 -0.096 0.000 0.702 64 G HN 0.300 nan 8.290 nan 0.000 0.515 65 I N 2.498 123.031 120.570 -0.062 0.000 2.328 65 I HA 0.306 4.481 4.170 0.008 0.000 0.287 65 I C -1.662 174.494 176.117 0.065 0.000 1.012 65 I CA -2.464 58.834 61.300 -0.004 0.000 1.195 65 I CB 1.672 39.670 38.000 -0.004 0.000 1.350 65 I HN -0.079 nan 8.210 nan 0.000 0.464 66 P HA 0.010 nan 4.420 nan 0.000 0.271 66 P C 0.484 177.786 177.300 0.002 0.000 1.218 66 P CA -0.042 63.081 63.100 0.040 0.000 0.780 66 P CB 1.191 32.900 31.700 0.015 0.000 0.901 67 E N 1.453 121.652 120.200 -0.002 0.000 2.114 67 E HA -0.262 4.093 4.350 0.008 0.000 0.199 67 E C 0.912 177.178 176.600 -0.557 0.000 1.008 67 E CA 1.611 57.877 56.400 -0.223 0.000 0.810 67 E CB -0.030 29.688 29.700 0.030 0.000 0.739 67 E HN 0.380 nan 8.360 nan 0.000 0.456 68 D N 0.028 120.268 120.400 -0.266 0.000 2.144 68 D HA -0.163 4.482 4.640 0.008 0.000 0.200 68 D C 1.781 177.880 176.300 -0.335 0.000 0.978 68 D CA 0.835 54.674 54.000 -0.269 0.000 0.833 68 D CB -0.210 40.522 40.800 -0.113 0.000 0.961 68 D HN 0.368 nan 8.370 nan 0.000 0.470 69 E N 0.443 120.492 120.200 -0.251 0.000 2.051 69 E HA -0.141 4.214 4.350 0.008 0.000 0.192 69 E C 2.206 178.582 176.600 -0.374 0.000 0.991 69 E CA 1.092 57.379 56.400 -0.188 0.000 0.799 69 E CB -0.107 29.581 29.700 -0.021 0.000 0.748 69 E HN 0.476 nan 8.360 nan 0.000 0.449 70 W N 1.042 121.928 121.300 -0.690 0.000 2.494 70 W HA -0.027 4.638 4.660 0.007 0.000 0.286 70 W C 1.865 177.846 176.519 -0.897 0.000 1.218 70 W CA 0.778 57.391 57.345 -1.221 0.000 1.313 70 W CB -0.630 27.890 29.460 -1.567 0.000 1.105 70 W HN 0.043 nan 8.180 nan 0.000 0.561 71 M N 0.632 119.242 119.600 -1.650 0.000 2.476 71 M HA 0.136 4.621 4.480 0.008 0.000 0.262 71 M C 1.867 177.793 176.300 -0.622 0.000 1.079 71 M CA 1.201 55.698 55.300 -1.339 0.000 1.104 71 M CB -0.496 31.159 32.600 -1.574 0.000 1.409 71 M HN -0.245 nan 8.290 nan 0.000 0.467 72 R N 1.159 121.359 120.500 -0.500 0.000 2.075 72 R HA 0.042 4.387 4.340 0.008 0.000 0.226 72 R C 1.810 177.976 176.300 -0.223 0.000 1.114 72 R CA 1.382 57.310 56.100 -0.285 0.000 0.972 72 R CB -0.581 29.586 30.300 -0.223 0.000 0.869 72 R HN 0.608 nan 8.270 nan 0.000 0.437 73 E N -0.185 119.851 120.200 -0.274 0.000 2.358 73 E HA -0.072 4.283 4.350 0.008 0.000 0.195 73 E C 0.479 176.991 176.600 -0.147 0.000 1.010 73 E CA 0.457 56.749 56.400 -0.179 0.000 0.856 73 E CB 0.253 29.845 29.700 -0.181 0.000 0.795 73 E HN 0.209 nan 8.360 nan 0.000 0.504 74 C N 1.563 120.737 119.300 -0.209 0.000 3.000 74 C HA 0.213 4.678 4.460 0.008 0.000 0.286 74 C C -0.068 174.910 174.990 -0.020 0.000 1.343 74 C CA -0.793 58.170 59.018 -0.091 0.000 1.742 74 C CB -1.225 26.453 27.740 -0.104 0.000 2.200 74 C HN 0.364 nan 8.230 nan 0.000 0.621 75 N N 1.710 120.374 118.700 -0.059 0.000 2.689 75 N HA -0.185 4.560 4.740 0.008 0.000 0.263 75 N C 0.003 175.542 175.510 0.047 0.000 0.987 75 N CA 1.211 54.255 53.050 -0.011 0.000 0.782 75 N CB -0.842 37.667 38.487 0.036 0.000 0.903 75 N HN 0.749 nan 8.380 nan 0.000 0.547 76 A N -0.666 122.146 122.820 -0.013 0.000 2.293 76 A HA 0.684 5.008 4.320 0.008 0.000 0.302 76 A C 0.680 178.275 177.584 0.019 0.000 1.119 76 A CA -0.127 51.975 52.037 0.109 0.000 0.823 76 A CB 1.320 20.388 19.000 0.114 0.000 1.097 76 A HN 0.308 nan 8.150 nan 0.000 0.491 77 S N -0.823 114.944 115.700 0.112 0.000 2.786 77 S HA 0.742 5.217 4.470 0.008 0.000 0.307 77 S C -1.247 173.267 174.600 -0.143 0.000 1.121 77 S CA -0.397 57.817 58.200 0.023 0.000 0.975 77 S CB 0.430 63.733 63.200 0.172 0.000 1.220 77 S HN 0.458 nan 8.310 nan 0.000 0.550 78 Y N 1.291 121.562 120.300 -0.048 0.000 2.387 78 Y HA 0.532 5.088 4.550 0.009 0.000 0.336 78 Y C 0.359 176.023 175.900 -0.394 0.000 1.067 78 Y CA -0.466 57.482 58.100 -0.252 0.000 1.114 78 Y CB 1.286 39.527 38.460 -0.365 0.000 1.208 78 Y HN 0.482 nan 8.280 nan 0.000 0.458 79 K N 2.079 122.327 120.400 -0.252 0.000 2.376 79 K HA 0.555 4.880 4.320 0.008 0.000 0.257 79 K C -0.991 175.666 176.600 0.095 0.000 0.939 79 K CA -0.366 55.767 56.287 -0.257 0.000 0.809 79 K CB 1.534 33.804 32.500 -0.382 0.000 1.121 79 K HN 0.637 nan 8.250 nan 0.000 0.425 80 V N 1.952 121.929 119.914 0.104 0.000 3.635 80 V HA 0.342 4.467 4.120 0.008 0.000 0.266 80 V C 0.094 176.152 176.094 -0.060 0.000 1.316 80 V CA 0.727 63.109 62.300 0.138 0.000 1.060 80 V CB 0.588 32.434 31.823 0.038 0.000 0.820 80 V HN 0.876 nan 8.190 nan 0.000 0.447 81 A N -0.482 122.265 122.820 -0.121 0.000 2.438 81 A HA 0.722 5.046 4.320 0.008 0.000 0.301 81 A C -1.883 175.628 177.584 -0.122 0.000 1.101 81 A CA -0.471 51.384 52.037 -0.304 0.000 0.621 81 A CB 0.808 19.706 19.000 -0.170 0.000 1.350 81 A HN 0.035 nan 8.150 nan 0.000 0.496 82 I N 0.825 121.281 120.570 -0.190 0.000 2.433 82 I HA 0.426 4.601 4.170 0.008 0.000 0.292 82 I C -0.056 175.861 176.117 -0.333 0.000 1.001 82 I CA -0.434 60.718 61.300 -0.247 0.000 1.119 82 I CB 2.002 39.730 38.000 -0.453 0.000 1.289 82 I HN 0.624 nan 8.210 nan 0.000 0.438 83 K N 6.696 126.860 120.400 -0.394 0.000 2.316 83 K HA 0.435 4.760 4.320 0.008 0.000 0.267 83 K C -1.378 174.826 176.600 -0.659 0.000 1.025 83 K CA -0.461 55.441 56.287 -0.641 0.000 0.896 83 K CB 0.642 32.654 32.500 -0.815 0.000 1.124 83 K HN 0.304 nan 8.250 nan 0.000 0.451 84 F N 5.686 125.238 119.950 -0.664 0.000 2.421 84 F HA 0.328 4.860 4.527 0.008 0.000 0.358 84 F C 0.263 175.842 175.800 -0.369 0.000 1.115 84 F CA -0.407 57.174 58.000 -0.698 0.000 1.160 84 F CB 0.602 38.614 39.000 -1.647 0.000 1.123 84 F HN 0.266 nan 8.300 nan 0.000 0.508 85 I N 4.427 125.130 120.570 0.222 0.000 2.378 85 I HA 0.241 4.416 4.170 0.008 0.000 0.291 85 I C -0.136 176.154 176.117 0.288 0.000 0.992 85 I CA -0.779 60.644 61.300 0.205 0.000 1.154 85 I CB 1.266 39.326 38.000 0.099 0.000 1.315 85 I HN 0.578 nan 8.210 nan 0.000 0.448 86 N N 4.122 122.938 118.700 0.194 0.000 2.747 86 N HA -0.216 4.529 4.740 0.008 0.000 0.249 86 N C 0.019 175.536 175.510 0.011 0.000 1.107 86 N CA 0.896 53.992 53.050 0.078 0.000 0.707 86 N CB -0.976 37.505 38.487 -0.011 0.000 1.054 86 N HN 0.717 nan 8.380 nan 0.000 0.555 87 W N 0.200 121.491 121.300 -0.015 0.000 3.139 87 W HA 0.171 4.836 4.660 0.009 0.000 0.260 87 W C 1.974 178.388 176.519 -0.176 0.000 1.312 87 W CA 0.281 57.572 57.345 -0.090 0.000 1.606 87 W CB 0.189 29.693 29.460 0.073 0.000 1.118 87 W HN 0.109 nan 8.180 nan 0.000 0.675 88 R N -0.836 119.722 120.500 0.097 0.000 2.404 88 R HA 0.128 4.473 4.340 0.008 0.000 0.237 88 R C 0.424 176.692 176.300 -0.054 0.000 0.907 88 R CA 0.488 56.599 56.100 0.019 0.000 1.063 88 R CB 0.344 30.696 30.300 0.087 0.000 1.134 88 R HN -0.092 nan 8.270 nan 0.000 0.529 89 T N -1.782 112.723 114.554 -0.081 0.000 2.863 89 T HA 0.727 5.082 4.350 0.008 0.000 0.285 89 T C 0.050 174.671 174.700 -0.130 0.000 1.009 89 T CA -0.957 61.093 62.100 -0.083 0.000 0.989 89 T CB 2.261 71.106 68.868 -0.038 0.000 1.004 89 T HN 0.072 nan 8.240 nan 0.000 0.455 90 A N 1.592 124.351 122.820 -0.103 0.000 2.406 90 A HA 0.847 5.172 4.320 0.008 0.000 0.243 90 A C 0.982 178.529 177.584 -0.061 0.000 1.082 90 A CA 0.336 52.318 52.037 -0.091 0.000 0.786 90 A CB -0.489 18.480 19.000 -0.051 0.000 1.029 90 A HN 2.145 nan 8.150 nan 0.000 0.495 91 G N 0.083 108.859 108.800 -0.041 0.000 2.369 91 G HA2 0.369 4.334 3.960 0.008 0.000 0.307 91 G HA3 0.369 4.334 3.960 0.008 0.000 0.307 91 G C -1.082 173.804 174.900 -0.023 0.000 1.327 91 G CA -0.721 44.361 45.100 -0.031 0.000 0.963 91 G HN 0.729 nan 8.290 nan 0.000 0.590 92 E N -0.521 119.656 120.200 -0.038 0.000 2.351 92 E HA 0.500 4.855 4.350 0.008 0.000 0.255 92 E C 0.890 177.432 176.600 -0.096 0.000 1.188 92 E CA 0.100 56.467 56.400 -0.055 0.000 0.940 92 E CB 0.572 30.231 29.700 -0.068 0.000 1.094 92 E HN 1.009 nan 8.360 nan 0.000 0.474 93 G N 0.318 109.030 108.800 -0.147 0.000 2.394 93 G HA2 0.283 4.248 3.960 0.008 0.000 0.298 93 G HA3 0.283 4.248 3.960 0.008 0.000 0.298 93 G C -0.170 174.563 174.900 -0.279 0.000 1.087 93 G CA 0.034 44.997 45.100 -0.227 0.000 1.035 93 G HN 0.222 nan 8.290 nan 0.000 0.420 94 T N 0.031 114.439 114.554 -0.244 0.000 2.907 94 T HA 0.431 4.786 4.350 0.008 0.000 0.292 94 T C 1.517 176.043 174.700 -0.290 0.000 1.043 94 T CA 0.124 62.060 62.100 -0.273 0.000 1.003 94 T CB 1.535 70.307 68.868 -0.161 0.000 1.084 94 T HN 0.584 nan 8.240 nan 0.000 0.483 95 S N 2.112 117.585 115.700 -0.378 0.000 2.607 95 S HA 0.178 4.653 4.470 0.008 0.000 0.224 95 S C 0.376 174.918 174.600 -0.097 0.000 0.969 95 S CA 0.100 58.108 58.200 -0.319 0.000 0.927 95 S CB -0.282 62.664 63.200 -0.422 0.000 0.772 95 S HN 0.737 nan 8.310 nan 0.000 0.533 96 E N 1.217 121.371 120.200 -0.076 0.000 2.151 96 E HA 0.604 4.959 4.350 0.008 0.000 0.275 96 E C -0.613 175.985 176.600 -0.004 0.000 0.936 96 E CA -0.684 55.707 56.400 -0.015 0.000 0.777 96 E CB 1.826 31.526 29.700 0.000 0.000 1.108 96 E HN 0.445 nan 8.360 nan 0.000 0.401 97 A N 4.249 127.086 122.820 0.027 0.000 2.520 97 A HA 0.085 4.410 4.320 0.008 0.000 0.245 97 A C 0.307 177.915 177.584 0.040 0.000 1.072 97 A CA 0.278 52.347 52.037 0.052 0.000 0.761 97 A CB 0.237 19.305 19.000 0.113 0.000 1.004 97 A HN 0.628 nan 8.150 nan 0.000 0.499 98 R N 1.031 121.547 120.500 0.027 0.000 2.580 98 R HA 0.313 4.658 4.340 0.008 0.000 0.267 98 R C -0.323 175.991 176.300 0.023 0.000 1.125 98 R CA -0.658 55.451 56.100 0.014 0.000 1.188 98 R CB 0.423 30.721 30.300 -0.002 0.000 1.155 98 R HN 0.705 nan 8.270 nan 0.000 0.586 99 E N 1.309 121.517 120.200 0.013 0.000 2.266 99 E HA 0.274 4.629 4.350 0.008 0.000 0.277 99 E C -1.001 175.601 176.600 0.003 0.000 1.018 99 E CA -0.613 55.793 56.400 0.010 0.000 0.840 99 E CB 1.501 31.204 29.700 0.006 0.000 1.082 99 E HN 0.144 nan 8.360 nan 0.000 0.395 100 L N 2.467 123.690 121.223 -0.000 0.000 2.505 100 L HA 0.295 4.640 4.340 0.008 0.000 0.266 100 L C -1.123 175.742 176.870 -0.009 0.000 0.954 100 L CA -0.268 54.571 54.840 -0.001 0.000 0.852 100 L CB 1.423 43.488 42.059 0.009 0.000 1.282 100 L HN 0.363 nan 8.230 nan 0.000 0.403 101 D N 4.552 124.947 120.400 -0.007 0.000 2.697 101 D HA -0.179 4.466 4.640 0.008 0.000 0.235 101 D C 1.070 177.359 176.300 -0.018 0.000 1.167 101 D CA 1.708 55.702 54.000 -0.010 0.000 0.656 101 D CB -1.011 39.786 40.800 -0.005 0.000 1.025 101 D HN 1.397 nan 8.370 nan 0.000 0.419 102 G N -1.173 107.618 108.800 -0.016 0.000 2.225 102 G HA2 0.004 3.969 3.960 0.008 0.000 0.267 102 G HA3 0.004 3.969 3.960 0.008 0.000 0.267 102 G C 0.576 175.459 174.900 -0.028 0.000 1.024 102 G CA 0.645 45.734 45.100 -0.019 0.000 0.784 102 G HN 1.156 nan 8.290 nan 0.000 0.507 103 G N -1.148 107.634 108.800 -0.030 0.000 2.660 103 G HA2 0.801 4.766 3.960 0.008 0.000 0.290 103 G HA3 0.801 4.766 3.960 0.008 0.000 0.290 103 G C -3.160 171.722 174.900 -0.030 0.000 1.432 103 G CA -0.374 44.698 45.100 -0.045 0.000 0.807 103 G HN 0.251 nan 8.290 nan 0.000 0.485 104 P HA 0.148 nan 4.420 nan 0.000 0.271 104 P C -0.814 176.487 177.300 0.003 0.000 1.216 104 P CA -0.030 63.099 63.100 0.047 0.000 0.776 104 P CB 1.359 33.168 31.700 0.181 0.000 0.881 105 D N 3.500 123.936 120.400 0.060 0.000 2.498 105 D HA 0.029 4.674 4.640 0.008 0.000 0.229 105 D C -0.057 176.326 176.300 0.139 0.000 1.188 105 D CA 0.326 54.370 54.000 0.073 0.000 1.028 105 D CB -0.769 40.075 40.800 0.075 0.000 1.087 105 D HN 0.484 nan 8.370 nan 0.000 0.510 106 H N 0.281 119.383 119.070 0.052 0.000 3.014 106 H HA 0.538 5.099 4.556 0.008 0.000 0.337 106 H C -1.458 173.895 175.328 0.043 0.000 1.320 106 H CA -1.020 54.986 56.048 -0.070 0.000 1.128 106 H CB 0.746 30.382 29.762 -0.210 0.000 1.862 106 H HN 0.095 nan 8.280 nan 0.000 0.536 107 F N -0.743 119.220 119.950 0.022 0.000 2.693 107 F HA 0.628 5.160 4.527 0.008 0.000 0.309 107 F C -2.423 173.317 175.800 -0.101 0.000 1.129 107 F CA -1.250 56.747 58.000 -0.005 0.000 0.948 107 F CB 0.967 39.971 39.000 0.007 0.000 1.315 107 F HN 0.419 nan 8.300 nan 0.000 0.447 108 Y N 0.557 121.018 120.300 0.268 0.000 2.446 108 Y HA 0.472 5.027 4.550 0.009 0.000 0.338 108 Y C -0.401 175.593 175.900 0.156 0.000 1.055 108 Y CA -0.734 57.408 58.100 0.069 0.000 1.101 108 Y CB 1.615 39.973 38.460 -0.170 0.000 1.221 108 Y HN 0.871 nan 8.280 nan 0.000 0.460 109 H N 1.788 120.969 119.070 0.185 0.000 2.791 109 H HA 0.476 5.036 4.556 0.008 0.000 0.272 109 H C -0.936 174.306 175.328 -0.143 0.000 1.188 109 H CA -0.584 55.504 56.048 0.067 0.000 1.436 109 H CB 0.564 30.473 29.762 0.244 0.000 1.467 109 H HN 0.749 nan 8.280 nan 0.000 0.500 110 S N 2.756 118.361 115.700 -0.159 0.000 2.745 110 S HA 0.225 4.699 4.470 0.008 0.000 0.292 110 S C 0.463 174.915 174.600 -0.246 0.000 1.133 110 S CA -0.766 57.217 58.200 -0.362 0.000 0.998 110 S CB 0.768 63.764 63.200 -0.341 0.000 1.087 110 S HN 0.421 nan 8.310 nan 0.000 0.551 111 F N 1.188 121.135 119.950 -0.005 0.000 2.710 111 F HA 0.293 4.825 4.527 0.008 0.000 0.298 111 F C 1.992 177.910 175.800 0.197 0.000 1.137 111 F CA -0.036 58.014 58.000 0.083 0.000 1.444 111 F CB -1.076 37.896 39.000 -0.046 0.000 1.111 111 F HN 0.811 nan 8.300 nan 0.000 0.580 112 G N 1.049 110.046 108.800 0.328 0.000 2.562 112 G HA2 0.198 4.163 3.960 0.008 0.000 0.233 112 G HA3 0.198 4.163 3.960 0.008 0.000 0.233 112 G C -0.191 174.965 174.900 0.427 0.000 1.266 112 G CA -0.465 44.855 45.100 0.367 0.000 0.852 112 G HN 0.115 nan 8.290 nan 0.000 0.581 113 L N 0.484 121.844 121.223 0.228 0.000 2.334 113 L HA 0.330 4.675 4.340 0.008 0.000 0.277 113 L C 0.508 177.321 176.870 -0.095 0.000 1.075 113 L CA -0.632 54.270 54.840 0.104 0.000 0.804 113 L CB 1.473 43.566 42.059 0.058 0.000 1.174 113 L HN 0.300 nan 8.230 nan 0.000 0.438 114 L N 3.832 124.966 121.223 -0.149 0.000 2.278 114 L HA 0.237 4.582 4.340 0.008 0.000 0.287 114 L C -0.027 176.671 176.870 -0.287 0.000 1.072 114 L CA -0.499 54.149 54.840 -0.320 0.000 0.819 114 L CB 0.683 42.611 42.059 -0.218 0.000 1.176 114 L HN 0.585 nan 8.230 nan 0.000 0.435 115 K N 3.809 124.054 120.400 -0.259 0.000 2.436 115 K HA 0.105 4.430 4.320 0.008 0.000 0.275 115 K C -0.916 175.594 176.600 -0.151 0.000 0.999 115 K CA 0.072 56.261 56.287 -0.163 0.000 0.980 115 K CB 0.454 32.856 32.500 -0.162 0.000 0.919 115 K HN 0.257 nan 8.250 nan 0.000 0.484 116 Y N 0.585 120.858 120.300 -0.045 0.000 2.374 116 Y HA 0.225 4.779 4.550 0.007 0.000 0.322 116 Y C 0.002 175.924 175.900 0.036 0.000 1.275 116 Y CA -0.109 57.989 58.100 -0.004 0.000 1.307 116 Y CB 1.207 39.660 38.460 -0.010 0.000 1.282 116 Y HN 0.569 nan 8.280 nan 0.000 0.509 117 H N 1.758 120.922 119.070 0.156 0.000 3.181 117 H HA 0.269 4.830 4.556 0.007 0.000 0.331 117 H C -0.921 174.466 175.328 0.097 0.000 0.988 117 H CA -0.896 55.137 56.048 -0.024 0.000 1.449 117 H CB 0.535 30.062 29.762 -0.391 0.000 1.749 117 H HN 0.601 nan 8.280 nan 0.000 0.501 118 E N 3.834 123.880 120.200 -0.256 0.000 2.476 118 E HA -0.264 4.091 4.350 0.008 0.000 0.251 118 E C 0.062 176.636 176.600 -0.043 0.000 1.130 118 E CA 1.172 57.459 56.400 -0.188 0.000 0.736 118 E CB -1.268 28.288 29.700 -0.241 0.000 1.298 118 E HN 0.885 nan 8.360 nan 0.000 0.400 119 Q N -2.626 117.152 119.800 -0.036 0.000 2.465 119 Q HA -0.157 4.188 4.340 0.008 0.000 0.248 119 Q C -0.246 175.782 176.000 0.047 0.000 0.819 119 Q CA 1.519 57.258 55.803 -0.108 0.000 1.219 119 Q CB -1.033 27.628 28.738 -0.128 0.000 1.472 119 Q HN 0.655 nan 8.270 nan 0.000 0.630 120 I N 0.282 121.015 120.570 0.271 0.000 2.498 120 I HA 0.385 4.560 4.170 0.008 0.000 0.290 120 I C -2.282 174.023 176.117 0.313 0.000 1.032 120 I CA -2.576 58.874 61.300 0.251 0.000 1.073 120 I CB 2.214 40.265 38.000 0.085 0.000 1.251 120 I HN -0.237 nan 8.210 nan 0.000 0.426 121 P HA -0.057 nan 4.420 nan 0.000 0.264 121 P C 0.589 177.880 177.300 -0.016 0.000 1.183 121 P CA -0.167 62.742 63.100 -0.319 0.000 0.763 121 P CB 0.580 31.995 31.700 -0.475 0.000 0.807 122 L N 4.392 125.618 121.223 0.004 0.000 2.189 122 L HA -0.230 4.115 4.340 0.008 0.000 0.214 122 L C 2.034 179.097 176.870 0.322 0.000 1.097 122 L CA 2.288 57.204 54.840 0.126 0.000 0.764 122 L CB -1.400 40.582 42.059 -0.128 0.000 0.900 122 L HN 0.401 nan 8.230 nan 0.000 0.436 123 S N -1.831 113.979 115.700 0.184 0.000 2.374 123 S HA -0.288 4.186 4.470 0.008 0.000 0.227 123 S C 1.940 176.709 174.600 0.283 0.000 1.037 123 S CA 1.590 59.869 58.200 0.132 0.000 1.024 123 S CB -1.208 61.564 63.200 -0.714 0.000 0.861 123 S HN 0.705 nan 8.310 nan 0.000 0.456 124 H N -0.351 118.729 119.070 0.016 0.000 2.389 124 H HA -0.038 4.524 4.556 0.009 0.000 0.299 124 H C 1.921 177.302 175.328 0.088 0.000 1.081 124 H CA 1.583 57.652 56.048 0.034 0.000 1.345 124 H CB -0.219 29.476 29.762 -0.112 0.000 1.393 124 H HN 0.492 nan 8.280 nan 0.000 0.520 125 Y N -0.463 120.044 120.300 0.345 0.000 2.200 125 Y HA -0.240 4.315 4.550 0.009 0.000 0.290 125 Y C 2.533 178.675 175.900 0.403 0.000 1.137 125 Y CA 0.966 59.254 58.100 0.312 0.000 1.163 125 Y CB -0.562 38.048 38.460 0.250 0.000 0.988 125 Y HN 0.299 nan 8.280 nan 0.000 0.518 126 W N 0.323 121.985 121.300 0.604 0.000 2.317 126 W HA -0.339 4.326 4.660 0.008 0.000 0.318 126 W C 2.177 178.877 176.519 0.302 0.000 1.227 126 W CA 1.907 59.523 57.345 0.452 0.000 1.269 126 W CB -1.036 28.722 29.460 0.496 0.000 1.155 126 W HN 0.111 nan 8.180 nan 0.000 0.484 127 F N 1.876 121.765 119.950 -0.102 0.000 2.216 127 F HA -0.134 4.398 4.527 0.008 0.000 0.300 127 F C 2.078 177.689 175.800 -0.314 0.000 1.085 127 F CA 2.332 60.011 58.000 -0.534 0.000 1.326 127 F CB -1.079 37.871 39.000 -0.083 0.000 1.027 127 F HN 0.022 nan 8.300 nan 0.000 0.497 128 D N -0.062 120.176 120.400 -0.270 0.000 2.104 128 D HA -0.208 4.437 4.640 0.008 0.000 0.194 128 D C 2.250 178.373 176.300 -0.294 0.000 0.994 128 D CA 1.817 55.635 54.000 -0.302 0.000 0.830 128 D CB -0.066 40.676 40.800 -0.097 0.000 0.959 128 D HN 0.295 nan 8.370 nan 0.000 0.452 129 R N -0.113 120.254 120.500 -0.222 0.000 2.075 129 R HA -0.003 4.342 4.340 0.008 0.000 0.232 129 R C 2.578 178.679 176.300 -0.333 0.000 1.126 129 R CA 1.188 57.164 56.100 -0.206 0.000 0.963 129 R CB -0.580 29.642 30.300 -0.131 0.000 0.858 129 R HN 0.070 nan 8.270 nan 0.000 0.435 130 S N 0.252 115.615 115.700 -0.561 0.000 2.368 130 S HA -0.218 4.257 4.470 0.008 0.000 0.225 130 S C 1.807 176.130 174.600 -0.460 0.000 1.030 130 S CA 1.119 58.978 58.200 -0.567 0.000 0.999 130 S CB -0.287 62.346 63.200 -0.946 0.000 0.844 130 S HN 0.480 nan 8.310 nan 0.000 0.459 131 Y N 1.922 121.743 120.300 -0.798 0.000 2.352 131 Y HA 0.102 4.657 4.550 0.008 0.000 0.292 131 Y C 1.989 177.652 175.900 -0.395 0.000 1.136 131 Y CA 1.311 58.992 58.100 -0.697 0.000 1.227 131 Y CB 0.017 37.816 38.460 -1.102 0.000 0.991 131 Y HN 0.207 nan 8.280 nan 0.000 0.545 132 R N -0.307 120.065 120.500 -0.214 0.000 2.359 132 R HA 0.218 4.563 4.340 0.008 0.000 0.231 132 R C 1.219 177.412 176.300 -0.178 0.000 0.913 132 R CA 0.563 56.565 56.100 -0.163 0.000 1.075 132 R CB 0.034 30.290 30.300 -0.074 0.000 1.087 132 R HN 0.451 nan 8.270 nan 0.000 0.515 133 G N 2.301 110.975 108.800 -0.210 0.000 2.179 133 G HA2 -0.340 3.625 3.960 0.008 0.000 0.257 133 G HA3 -0.340 3.625 3.960 0.008 0.000 0.257 133 G C 0.788 175.614 174.900 -0.124 0.000 1.010 133 G CA 0.869 45.872 45.100 -0.161 0.000 0.736 133 G HN 0.250 nan 8.290 nan 0.000 0.513 134 K N -0.357 119.964 120.400 -0.131 0.000 2.426 134 K HA 0.368 4.693 4.320 0.008 0.000 0.193 134 K C 0.994 177.532 176.600 -0.103 0.000 1.028 134 K CA 1.136 57.364 56.287 -0.098 0.000 1.047 134 K CB 0.242 32.693 32.500 -0.083 0.000 0.821 134 K HN 0.474 nan 8.250 nan 0.000 0.513 135 T N -2.651 111.827 114.554 -0.127 0.000 2.786 135 T HA 0.348 4.703 4.350 0.008 0.000 0.316 135 T C -1.137 173.517 174.700 -0.077 0.000 1.503 135 T CA -0.641 61.397 62.100 -0.102 0.000 1.019 135 T CB 1.368 70.158 68.868 -0.131 0.000 1.415 135 T HN -0.321 nan 8.240 nan 0.000 0.496 136 V N 1.475 121.380 119.914 -0.015 0.000 3.392 136 V HA 0.379 4.504 4.120 0.008 0.000 0.294 136 V C 0.445 176.597 176.094 0.097 0.000 1.561 136 V CA -0.106 62.207 62.300 0.022 0.000 1.056 136 V CB 0.474 32.294 31.823 -0.006 0.000 0.882 136 V HN 0.835 nan 8.190 nan 0.000 0.440 137 E N 2.154 122.433 120.200 0.131 0.000 2.373 137 E HA 0.190 4.545 4.350 0.008 0.000 0.267 137 E C -2.389 174.434 176.600 0.372 0.000 1.032 137 E CA -1.563 54.943 56.400 0.178 0.000 0.889 137 E CB 1.098 30.877 29.700 0.131 0.000 0.984 137 E HN 0.247 nan 8.360 nan 0.000 0.425 138 P HA -0.031 nan 4.420 nan 0.000 0.271 138 P C -0.079 177.239 177.300 0.030 0.000 1.218 138 P CA -0.140 63.103 63.100 0.239 0.000 0.780 138 P CB 0.332 32.139 31.700 0.178 0.000 0.901 139 F N 3.778 123.395 119.950 -0.555 0.000 2.063 139 F HA -0.311 4.221 4.527 0.008 0.000 0.298 139 F C 1.769 177.339 175.800 -0.384 0.000 1.109 139 F CA 2.510 59.777 58.000 -1.221 0.000 1.212 139 F CB -0.676 37.571 39.000 -1.256 0.000 0.973 139 F HN 0.360 nan 8.300 nan 0.000 0.480 140 D N -0.947 119.165 120.400 -0.479 0.000 2.144 140 D HA -0.278 4.367 4.640 0.008 0.000 0.199 140 D C 2.046 178.201 176.300 -0.241 0.000 0.984 140 D CA 1.729 55.484 54.000 -0.407 0.000 0.834 140 D CB -1.489 39.236 40.800 -0.125 0.000 0.955 140 D HN 0.457 nan 8.370 nan 0.000 0.465 141 Y N 1.121 121.354 120.300 -0.113 0.000 2.373 141 Y HA 0.187 4.743 4.550 0.009 0.000 0.293 141 Y C 2.840 178.709 175.900 -0.051 0.000 1.129 141 Y CA 0.975 59.052 58.100 -0.038 0.000 1.226 141 Y CB -0.296 38.168 38.460 0.006 0.000 1.000 141 Y HN 0.106 nan 8.280 nan 0.000 0.549 142 A N -1.706 121.128 122.820 0.023 0.000 1.930 142 A HA -0.094 4.231 4.320 0.008 0.000 0.215 142 A C 1.914 179.549 177.584 0.086 0.000 1.176 142 A CA 1.477 53.529 52.037 0.024 0.000 0.632 142 A CB -1.001 18.012 19.000 0.021 0.000 0.819 142 A HN 0.506 nan 8.150 nan 0.000 0.445 143 C N -2.195 117.024 119.300 -0.134 0.000 2.912 143 C HA 0.406 4.871 4.460 0.008 0.000 0.274 143 C C 0.074 174.816 174.990 -0.415 0.000 1.248 143 C CA -0.562 58.317 59.018 -0.231 0.000 1.694 143 C CB -1.491 25.961 27.740 -0.480 0.000 2.024 143 C HN 0.501 nan 8.230 nan 0.000 0.605 144 Y N 0.932 121.082 120.300 -0.250 0.000 2.499 144 Y HA 0.328 4.883 4.550 0.008 0.000 0.347 144 Y C 1.239 177.032 175.900 -0.178 0.000 0.987 144 Y CA -0.958 57.018 58.100 -0.207 0.000 1.044 144 Y CB 1.136 39.441 38.460 -0.259 0.000 1.245 144 Y HN 0.005 nan 8.280 nan 0.000 0.461 145 K N -0.571 119.846 120.400 0.029 0.000 2.262 145 K HA 0.020 4.345 4.320 0.008 0.000 0.200 145 K C 0.609 177.157 176.600 -0.086 0.000 1.049 145 K CA 1.139 57.410 56.287 -0.026 0.000 0.979 145 K CB 0.170 32.660 32.500 -0.017 0.000 0.773 145 K HN 0.540 nan 8.250 nan 0.000 0.474 146 E N 2.057 122.197 120.200 -0.100 0.000 2.049 146 E HA -0.124 4.231 4.350 0.008 0.000 0.198 146 E C -0.936 175.405 176.600 -0.432 0.000 1.007 146 E CA 1.639 57.902 56.400 -0.228 0.000 0.809 146 E CB -1.475 28.079 29.700 -0.244 0.000 0.749 146 E HN 0.256 nan 8.360 nan 0.000 0.450 147 P HA -0.287 nan 4.420 nan 0.000 0.219 147 P C 1.750 178.754 177.300 -0.493 0.000 1.161 147 P CA 2.263 64.817 63.100 -0.911 0.000 0.909 147 P CB -0.214 30.729 31.700 -1.261 0.000 0.793 148 V N -1.068 118.704 119.914 -0.237 0.000 2.358 148 V HA -0.187 3.938 4.120 0.008 0.000 0.246 148 V C 2.081 178.166 176.094 -0.015 0.000 1.047 148 V CA 2.072 64.381 62.300 0.014 0.000 1.035 148 V CB -1.818 30.053 31.823 0.081 0.000 0.658 148 V HN 0.189 nan 8.190 nan 0.000 0.452 149 I N -2.282 118.242 120.570 -0.076 0.000 3.111 149 I HA 0.071 4.246 4.170 0.008 0.000 0.272 149 I C 2.104 178.194 176.117 -0.045 0.000 1.268 149 I CA 1.172 62.444 61.300 -0.047 0.000 1.467 149 I CB -0.390 37.575 38.000 -0.059 0.000 1.087 149 I HN 0.245 nan 8.210 nan 0.000 0.467 150 L N 0.636 121.786 121.223 -0.121 0.000 2.307 150 L HA 0.047 4.392 4.340 0.008 0.000 0.211 150 L C 1.767 178.697 176.870 0.100 0.000 1.099 150 L CA 0.526 55.333 54.840 -0.054 0.000 0.816 150 L CB -0.517 41.316 42.059 -0.376 0.000 0.952 150 L HN 0.182 nan 8.230 nan 0.000 0.455 151 D N 0.805 121.248 120.400 0.070 0.000 2.310 151 D HA -0.082 4.563 4.640 0.008 0.000 0.212 151 D C 1.670 178.063 176.300 0.155 0.000 0.965 151 D CA 1.096 55.196 54.000 0.168 0.000 0.879 151 D CB 0.373 41.305 40.800 0.221 0.000 0.921 151 D HN 0.280 nan 8.370 nan 0.000 0.510 152 A N -0.064 122.827 122.820 0.119 0.000 2.430 152 A HA 0.136 4.461 4.320 0.008 0.000 0.243 152 A C 0.400 178.045 177.584 0.101 0.000 1.254 152 A CA -0.271 51.826 52.037 0.100 0.000 0.914 152 A CB -0.530 18.512 19.000 0.070 0.000 0.998 152 A HN 0.213 nan 8.150 nan 0.000 0.515 153 N N 0.311 119.095 118.700 0.139 0.000 2.727 153 N HA -0.144 4.600 4.740 0.008 0.000 0.249 153 N C -0.395 175.151 175.510 0.060 0.000 1.048 153 N CA 0.075 53.196 53.050 0.118 0.000 0.714 153 N CB -0.537 38.009 38.487 0.098 0.000 0.959 153 N HN 0.390 nan 8.380 nan 0.000 0.544 154 R N 0.641 121.159 120.500 0.031 0.000 2.615 154 R HA 0.267 4.612 4.340 0.008 0.000 0.270 154 R C 0.779 177.034 176.300 -0.075 0.000 1.081 154 R CA -0.199 55.892 56.100 -0.016 0.000 1.154 154 R CB 0.870 31.150 30.300 -0.033 0.000 1.063 154 R HN 0.169 nan 8.270 nan 0.000 0.519 155 S N 1.940 117.562 115.700 -0.130 0.000 2.584 155 S HA 0.203 4.678 4.470 0.008 0.000 0.273 155 S C -1.430 172.935 174.600 -0.391 0.000 1.311 155 S CA -1.403 56.618 58.200 -0.298 0.000 1.034 155 S CB 0.718 63.708 63.200 -0.349 0.000 0.939 155 S HN 0.380 nan 8.310 nan 0.000 0.513 156 P HA 0.035 nan 4.420 nan 0.000 0.242 156 P C -0.307 176.690 177.300 -0.505 0.000 1.197 156 P CA 0.385 63.200 63.100 -0.476 0.000 0.765 156 P CB -0.243 31.106 31.700 -0.585 0.000 0.936 157 R N -1.507 118.575 120.500 -0.696 0.000 2.604 157 R HA 0.475 4.820 4.340 0.008 0.000 0.270 157 R C -0.599 175.407 176.300 -0.491 0.000 1.052 157 R CA -1.032 54.721 56.100 -0.577 0.000 0.902 157 R CB 1.306 31.195 30.300 -0.685 0.000 1.233 157 R HN -0.229 nan 8.270 nan 0.000 0.455 158 R N 1.218 121.600 120.500 -0.197 0.000 2.863 158 R HA 0.091 4.436 4.340 0.008 0.000 0.273 158 R C 1.150 177.526 176.300 0.127 0.000 1.057 158 R CA -0.230 55.845 56.100 -0.041 0.000 1.191 158 R CB 0.362 30.654 30.300 -0.013 0.000 1.104 158 R HN 0.557 nan 8.270 nan 0.000 0.519 159 L N 0.866 122.182 121.223 0.155 0.000 2.191 159 L HA -0.193 4.152 4.340 0.008 0.000 0.212 159 L C 1.590 178.536 176.870 0.128 0.000 1.103 159 L CA 1.467 56.416 54.840 0.182 0.000 0.769 159 L CB -0.603 41.502 42.059 0.077 0.000 0.908 159 L HN 0.761 nan 8.230 nan 0.000 0.438 160 D N -0.924 119.529 120.400 0.089 0.000 2.363 160 D HA 0.008 4.653 4.640 0.008 0.000 0.226 160 D C 1.497 177.852 176.300 0.092 0.000 1.020 160 D CA 0.881 54.920 54.000 0.064 0.000 0.892 160 D CB 0.229 41.053 40.800 0.039 0.000 0.900 160 D HN 0.265 nan 8.370 nan 0.000 0.531 161 G N -0.198 108.693 108.800 0.152 0.000 2.213 161 G HA2 -0.277 3.688 3.960 0.008 0.000 0.226 161 G HA3 -0.277 3.688 3.960 0.008 0.000 0.226 161 G C 0.420 175.358 174.900 0.062 0.000 0.992 161 G CA 0.141 45.342 45.100 0.168 0.000 0.632 161 G HN 0.819 nan 8.290 nan 0.000 0.511 162 S N 0.309 116.025 115.700 0.027 0.000 2.562 162 S HA 0.481 4.956 4.470 0.008 0.000 0.281 162 S C 0.178 174.754 174.600 -0.040 0.000 1.333 162 S CA 0.290 58.494 58.200 0.006 0.000 1.052 162 S CB 1.984 65.189 63.200 0.008 0.000 0.884 162 S HN 0.601 nan 8.310 nan 0.000 0.506 163 K N 1.218 121.614 120.400 -0.007 0.000 2.276 163 K HA 0.324 4.649 4.320 0.008 0.000 0.283 163 K C 0.602 177.194 176.600 -0.013 0.000 1.044 163 K CA -0.425 55.857 56.287 -0.008 0.000 0.944 163 K CB 1.000 33.552 32.500 0.087 0.000 1.012 163 K HN 0.671 nan 8.250 nan 0.000 0.472 164 V N 0.948 120.836 119.914 -0.044 0.000 3.528 164 V HA 0.243 4.368 4.120 0.008 0.000 0.294 164 V C -0.047 176.042 176.094 -0.007 0.000 1.404 164 V CA 0.453 62.735 62.300 -0.031 0.000 1.065 164 V CB 0.781 32.569 31.823 -0.058 0.000 0.904 164 V HN 0.749 nan 8.190 nan 0.000 0.435 165 T N 0.514 115.078 114.554 0.017 0.000 2.840 165 T HA 0.353 4.707 4.350 0.008 0.000 0.317 165 T C -1.012 173.756 174.700 0.113 0.000 1.401 165 T CA -0.537 61.595 62.100 0.055 0.000 1.028 165 T CB 1.624 70.508 68.868 0.026 0.000 1.317 165 T HN 0.530 nan 8.240 nan 0.000 0.495 166 N N 1.206 119.963 118.700 0.095 0.000 2.503 166 N HA 0.607 5.351 4.740 0.008 0.000 0.267 166 N C -1.190 174.331 175.510 0.018 0.000 1.214 166 N CA -0.218 52.816 53.050 -0.028 0.000 0.959 166 N CB 0.590 39.086 38.487 0.013 0.000 1.142 166 N HN 0.601 nan 8.380 nan 0.000 0.455 167 Y N -1.748 118.362 120.300 -0.316 0.000 2.713 167 Y HA 0.726 5.280 4.550 0.007 0.000 0.335 167 Y C -1.473 173.925 175.900 -0.837 0.000 1.222 167 Y CA -1.244 56.649 58.100 -0.346 0.000 1.061 167 Y CB 0.438 38.744 38.460 -0.257 0.000 1.314 167 Y HN 0.504 nan 8.280 nan 0.000 0.453 168 A N 0.370 122.847 122.820 -0.573 0.000 2.686 168 A HA 0.887 5.212 4.320 0.008 0.000 0.263 168 A C -1.731 175.379 177.584 -0.789 0.000 1.264 168 A CA -0.905 50.543 52.037 -0.983 0.000 0.799 168 A CB 1.116 19.907 19.000 -0.349 0.000 1.363 168 A HN 0.768 nan 8.150 nan 0.000 0.507 169 W N -1.106 120.350 121.300 0.259 0.000 2.820 169 W HA 0.555 5.219 4.660 0.007 0.000 0.350 169 W C -0.907 175.700 176.519 0.146 0.000 1.116 169 W CA -0.211 57.273 57.345 0.232 0.000 1.146 169 W CB 0.960 30.752 29.460 0.552 0.000 1.433 169 W HN 0.728 nan 8.180 nan 0.000 0.561 170 H N 0.808 120.071 119.070 0.321 0.000 2.529 170 H HA 0.469 5.031 4.556 0.009 0.000 0.348 170 H C -0.864 174.601 175.328 0.227 0.000 1.079 170 H CA -0.559 55.548 56.048 0.098 0.000 1.198 170 H CB 1.972 31.795 29.762 0.101 0.000 1.521 170 H HN 0.251 nan 8.280 nan 0.000 0.514 171 F N -0.600 119.556 119.950 0.344 0.000 2.807 171 F HA 0.219 4.750 4.527 0.008 0.000 0.316 171 F C -1.671 174.259 175.800 0.216 0.000 1.162 171 F CA -1.421 56.738 58.000 0.265 0.000 0.910 171 F CB 0.722 39.910 39.000 0.315 0.000 1.314 171 F HN 0.263 nan 8.300 nan 0.000 0.454 172 D N 1.309 122.047 120.400 0.563 0.000 2.316 172 D HA 0.480 5.125 4.640 0.008 0.000 0.245 172 D C 1.073 177.689 176.300 0.526 0.000 1.171 172 D CA 0.491 54.752 54.000 0.435 0.000 0.856 172 D CB 1.890 42.891 40.800 0.335 0.000 1.090 172 D HN 0.890 nan 8.370 nan 0.000 0.476 173 A N 4.330 127.404 122.820 0.424 0.000 1.917 173 A HA -0.262 4.063 4.320 0.008 0.000 0.219 173 A C 1.675 179.363 177.584 0.173 0.000 1.182 173 A CA 1.714 53.945 52.037 0.323 0.000 0.633 173 A CB -0.866 18.199 19.000 0.109 0.000 0.819 173 A HN 0.825 nan 8.150 nan 0.000 0.448 174 H N -0.795 118.407 119.070 0.220 0.000 2.352 174 H HA -0.098 4.463 4.556 0.008 0.000 0.299 174 H C 1.824 177.245 175.328 0.155 0.000 1.097 174 H CA 1.765 57.917 56.048 0.172 0.000 1.311 174 H CB -0.259 29.592 29.762 0.148 0.000 1.377 174 H HN 0.399 nan 8.280 nan 0.000 0.504 175 L N -0.476 120.914 121.223 0.279 0.000 2.093 175 L HA -0.141 4.204 4.340 0.008 0.000 0.208 175 L C 2.339 179.303 176.870 0.156 0.000 1.085 175 L CA 0.815 55.769 54.840 0.190 0.000 0.755 175 L CB -0.345 41.812 42.059 0.162 0.000 0.904 175 L HN 0.149 nan 8.230 nan 0.000 0.435 176 V N -0.537 119.441 119.914 0.107 0.000 2.358 176 V HA -0.253 3.872 4.120 0.008 0.000 0.246 176 V C 2.669 178.877 176.094 0.189 0.000 1.047 176 V CA 1.551 63.893 62.300 0.070 0.000 1.035 176 V CB -1.008 30.703 31.823 -0.187 0.000 0.658 176 V HN 0.479 nan 8.190 nan 0.000 0.452 177 A N -0.565 122.355 122.820 0.166 0.000 1.908 177 A HA -0.288 4.037 4.320 0.008 0.000 0.218 177 A C 2.129 179.753 177.584 0.067 0.000 1.181 177 A CA 2.046 54.193 52.037 0.184 0.000 0.627 177 A CB -0.624 18.507 19.000 0.219 0.000 0.818 177 A HN 0.546 nan 8.150 nan 0.000 0.445 178 D N -1.291 119.160 120.400 0.085 0.000 2.097 178 D HA -0.154 4.491 4.640 0.008 0.000 0.195 178 D C 1.703 178.011 176.300 0.013 0.000 0.989 178 D CA 1.516 55.523 54.000 0.011 0.000 0.827 178 D CB -0.252 40.601 40.800 0.090 0.000 0.966 178 D HN 0.422 nan 8.370 nan 0.000 0.456 179 F N 1.618 121.560 119.950 -0.015 0.000 2.095 179 F HA -0.154 4.377 4.527 0.008 0.000 0.298 179 F C 2.264 178.086 175.800 0.037 0.000 1.104 179 F CA 1.154 59.163 58.000 0.016 0.000 1.232 179 F CB -0.461 38.568 39.000 0.049 0.000 0.987 179 F HN -0.102 nan 8.300 nan 0.000 0.475 180 L N -0.100 121.153 121.223 0.051 0.000 2.201 180 L HA -0.161 4.184 4.340 0.008 0.000 0.212 180 L C 2.668 179.466 176.870 -0.120 0.000 1.105 180 L CA 1.344 56.206 54.840 0.037 0.000 0.775 180 L CB -0.632 41.585 42.059 0.263 0.000 0.913 180 L HN 0.144 nan 8.230 nan 0.000 0.440 181 R N 0.375 120.581 120.500 -0.489 0.000 2.073 181 R HA -0.117 4.228 4.340 0.008 0.000 0.229 181 R C 2.455 178.389 176.300 -0.610 0.000 1.120 181 R CA 1.085 56.493 56.100 -1.152 0.000 0.967 181 R CB -0.022 29.305 30.300 -1.621 0.000 0.862 181 R HN 0.233 nan 8.270 nan 0.000 0.436 182 R N -0.462 119.816 120.500 -0.371 0.000 2.073 182 R HA -0.169 4.176 4.340 0.008 0.000 0.234 182 R C 2.212 178.393 176.300 -0.199 0.000 1.134 182 R CA 1.774 57.733 56.100 -0.236 0.000 0.952 182 R CB -0.549 29.656 30.300 -0.160 0.000 0.850 182 R HN 0.222 nan 8.270 nan 0.000 0.433 183 F N 1.453 121.169 119.950 -0.390 0.000 2.046 183 F HA -0.217 4.315 4.527 0.008 0.000 0.297 183 F C 2.340 178.027 175.800 -0.190 0.000 1.123 183 F CA 1.565 59.367 58.000 -0.330 0.000 1.199 183 F CB -0.653 38.089 39.000 -0.429 0.000 0.972 183 F HN -0.001 nan 8.300 nan 0.000 0.474 184 A N -0.197 122.524 122.820 -0.165 0.000 1.883 184 A HA -0.238 4.087 4.320 0.008 0.000 0.217 184 A C 2.266 179.759 177.584 -0.152 0.000 1.186 184 A CA 2.978 54.929 52.037 -0.143 0.000 0.624 184 A CB -1.679 17.440 19.000 0.198 0.000 0.822 184 A HN 0.574 nan 8.150 nan 0.000 0.444 185 T N -2.146 112.327 114.554 -0.135 0.000 2.812 185 T HA -0.070 4.285 4.350 0.008 0.000 0.264 185 T C 1.592 176.222 174.700 -0.116 0.000 1.042 185 T CA 1.491 63.544 62.100 -0.079 0.000 1.140 185 T CB -0.339 68.488 68.868 -0.067 0.000 0.870 185 T HN 0.623 nan 8.240 nan 0.000 0.445 186 E N 0.959 121.060 120.200 -0.164 0.000 2.170 186 E HA 0.090 4.445 4.350 0.008 0.000 0.191 186 E C 2.004 178.489 176.600 -0.192 0.000 0.981 186 E CA 0.590 56.902 56.400 -0.146 0.000 0.830 186 E CB 0.143 29.771 29.700 -0.120 0.000 0.775 186 E HN 0.496 nan 8.360 nan 0.000 0.470 187 K N -0.152 120.050 120.400 -0.330 0.000 2.380 187 K HA 0.236 4.560 4.320 0.008 0.000 0.198 187 K C 1.232 177.578 176.600 -0.423 0.000 1.070 187 K CA 0.044 56.098 56.287 -0.389 0.000 1.040 187 K CB 0.927 33.122 32.500 -0.509 0.000 0.903 187 K HN 0.020 nan 8.250 nan 0.000 0.549 188 L N -0.359 120.618 121.223 -0.411 0.000 2.858 188 L HA 0.250 4.595 4.340 0.008 0.000 0.251 188 L C 0.727 177.498 176.870 -0.164 0.000 1.149 188 L CA 0.041 54.700 54.840 -0.301 0.000 0.955 188 L CB 0.908 42.768 42.059 -0.332 0.000 1.289 188 L HN 0.310 nan 8.230 nan 0.000 0.542 189 G N 1.209 109.930 108.800 -0.131 0.000 2.179 189 G HA2 -0.252 3.713 3.960 0.008 0.000 0.257 189 G HA3 -0.252 3.713 3.960 0.008 0.000 0.257 189 G C 0.197 175.081 174.900 -0.027 0.000 1.010 189 G CA 0.199 45.258 45.100 -0.069 0.000 0.736 189 G HN 0.124 nan 8.290 nan 0.000 0.513 190 V N 0.793 120.703 119.914 -0.007 0.000 2.508 190 V HA 0.329 4.454 4.120 0.008 0.000 0.281 190 V C 1.196 177.352 176.094 0.104 0.000 1.041 190 V CA -0.251 62.081 62.300 0.054 0.000 1.016 190 V CB 1.336 33.231 31.823 0.119 0.000 0.984 190 V HN 0.502 nan 8.190 nan 0.000 0.478 191 R N 4.042 124.600 120.500 0.096 0.000 2.265 191 R HA 0.245 4.590 4.340 0.008 0.000 0.314 191 R C -0.139 176.289 176.300 0.214 0.000 1.053 191 R CA -0.410 55.770 56.100 0.133 0.000 0.931 191 R CB 0.336 30.698 30.300 0.104 0.000 1.024 191 R HN 0.915 nan 8.270 nan 0.000 0.457 192 H N 3.878 123.035 119.070 0.145 0.000 2.552 192 H HA 0.339 4.900 4.556 0.008 0.000 0.311 192 H C -1.209 174.185 175.328 0.110 0.000 1.071 192 H CA -0.922 55.245 56.048 0.197 0.000 1.307 192 H CB 1.154 31.096 29.762 0.300 0.000 1.416 192 H HN 0.262 nan 8.280 nan 0.000 0.464 193 V N 6.379 126.446 119.914 0.255 0.000 2.407 193 V HA 0.092 4.217 4.120 0.008 0.000 0.291 193 V C -0.309 175.800 176.094 0.025 0.000 1.018 193 V CA -0.818 61.511 62.300 0.050 0.000 0.842 193 V CB 1.501 33.321 31.823 -0.004 0.000 0.996 193 V HN 0.839 nan 8.190 nan 0.000 0.426 194 E N 4.211 124.360 120.200 -0.086 0.000 2.001 194 E HA 0.440 4.795 4.350 0.008 0.000 0.279 194 E C -0.957 175.657 176.600 0.023 0.000 1.045 194 E CA -0.130 56.256 56.400 -0.024 0.000 0.833 194 E CB 1.292 30.939 29.700 -0.088 0.000 1.077 194 E HN 0.606 nan 8.360 nan 0.000 0.397 195 D N 1.571 121.994 120.400 0.039 0.000 2.639 195 D HA 0.199 4.844 4.640 0.008 0.000 0.271 195 D C -1.214 175.110 176.300 0.040 0.000 1.254 195 D CA -0.655 53.376 54.000 0.050 0.000 0.810 195 D CB 1.963 42.813 40.800 0.084 0.000 1.351 195 D HN 0.191 nan 8.370 nan 0.000 0.427 196 R N 1.251 121.781 120.500 0.050 0.000 2.460 196 R HA 0.560 4.904 4.340 0.008 0.000 0.303 196 R C -0.825 175.506 176.300 0.050 0.000 0.968 196 R CA -0.625 55.501 56.100 0.042 0.000 0.889 196 R CB 1.280 31.605 30.300 0.043 0.000 1.123 196 R HN 0.186 nan 8.270 nan 0.000 0.455 197 V N 4.841 124.776 119.914 0.035 0.000 2.521 197 V HA -0.006 4.119 4.120 0.008 0.000 0.286 197 V C 1.140 177.265 176.094 0.051 0.000 1.034 197 V CA 0.589 62.915 62.300 0.044 0.000 1.045 197 V CB 1.136 32.968 31.823 0.015 0.000 0.974 197 V HN 0.990 nan 8.190 nan 0.000 0.480 198 E N 3.254 123.502 120.200 0.079 0.000 2.474 198 E HA 0.152 4.507 4.350 0.008 0.000 0.215 198 E C 0.428 177.108 176.600 0.134 0.000 0.867 198 E CA -0.252 56.201 56.400 0.088 0.000 1.135 198 E CB 0.802 30.557 29.700 0.091 0.000 1.147 198 E HN 0.698 nan 8.360 nan 0.000 0.534 199 H N 0.299 119.387 119.070 0.028 0.000 3.087 199 H HA 0.350 4.911 4.556 0.008 0.000 0.348 199 H C -1.896 173.439 175.328 0.013 0.000 1.092 199 H CA -0.556 55.502 56.048 0.017 0.000 1.285 199 H CB 2.206 31.978 29.762 0.017 0.000 1.875 199 H HN -0.018 nan 8.280 nan 0.000 0.512 200 V N 4.956 124.571 119.914 -0.498 0.000 2.357 200 V HA 0.157 4.281 4.120 0.008 0.000 0.284 200 V C 0.098 175.991 176.094 -0.337 0.000 1.018 200 V CA -0.696 61.431 62.300 -0.287 0.000 0.841 200 V CB 1.498 33.176 31.823 -0.242 0.000 0.991 200 V HN 0.614 nan 8.190 nan 0.000 0.437 201 Q N 4.658 124.416 119.800 -0.071 0.000 2.257 201 Q HA 0.547 4.892 4.340 0.008 0.000 0.255 201 Q C -0.448 175.519 176.000 -0.054 0.000 0.920 201 Q CA -0.114 55.705 55.803 0.027 0.000 0.927 201 Q CB 1.145 29.968 28.738 0.140 0.000 1.229 201 Q HN 0.705 nan 8.270 nan 0.000 0.433 202 R N 2.065 122.537 120.500 -0.048 0.000 2.732 202 R HA 0.435 4.780 4.340 0.008 0.000 0.278 202 R C -0.560 175.728 176.300 -0.021 0.000 0.976 202 R CA -0.867 55.195 56.100 -0.063 0.000 0.963 202 R CB 0.942 31.200 30.300 -0.071 0.000 1.150 202 R HN 0.783 nan 8.270 nan 0.000 0.478 203 D N 0.648 121.038 120.400 -0.018 0.000 2.511 203 D HA 0.199 4.844 4.640 0.008 0.000 0.276 203 D C 0.745 177.045 176.300 -0.001 0.000 1.220 203 D CA -0.575 53.425 54.000 0.000 0.000 1.077 203 D CB 0.295 41.100 40.800 0.010 0.000 1.126 203 D HN 0.409 nan 8.370 nan 0.000 0.583 204 A N -0.649 122.174 122.820 0.004 0.000 2.067 204 A HA -0.170 4.155 4.320 0.008 0.000 0.219 204 A C 1.589 179.173 177.584 -0.000 0.000 1.158 204 A CA 1.154 53.192 52.037 0.002 0.000 0.661 204 A CB -1.102 17.901 19.000 0.004 0.000 0.801 204 A HN 0.652 nan 8.150 nan 0.000 0.452 205 N N -1.184 117.517 118.700 0.001 0.000 2.398 205 N HA 0.245 4.990 4.740 0.008 0.000 0.188 205 N C 1.001 176.508 175.510 -0.005 0.000 1.122 205 N CA 0.354 53.403 53.050 -0.001 0.000 0.866 205 N CB 0.152 38.641 38.487 0.004 0.000 0.970 205 N HN 0.580 nan 8.380 nan 0.000 0.462 206 G N 0.858 109.653 108.800 -0.009 0.000 2.179 206 G HA2 -0.288 3.677 3.960 0.008 0.000 0.260 206 G HA3 -0.288 3.677 3.960 0.008 0.000 0.260 206 G C -0.159 174.725 174.900 -0.027 0.000 0.977 206 G CA -0.157 44.933 45.100 -0.018 0.000 0.641 206 G HN 0.382 nan 8.290 nan 0.000 0.533 207 N N -0.501 118.187 118.700 -0.020 0.000 2.445 207 N HA 0.549 5.294 4.740 0.008 0.000 0.264 207 N C 0.417 175.875 175.510 -0.088 0.000 1.227 207 N CA -0.679 52.355 53.050 -0.027 0.000 0.963 207 N CB 0.836 39.334 38.487 0.018 0.000 1.188 207 N HN 0.191 nan 8.380 nan 0.000 0.491 208 I N 1.255 121.712 120.570 -0.189 0.000 2.452 208 I HA -0.041 4.134 4.170 0.008 0.000 0.287 208 I C 1.514 177.470 176.117 -0.268 0.000 1.079 208 I CA 0.376 61.432 61.300 -0.408 0.000 1.387 208 I CB 0.846 38.247 38.000 -0.998 0.000 1.404 208 I HN 0.752 nan 8.210 nan 0.000 0.522 209 E N 4.351 124.465 120.200 -0.143 0.000 2.075 209 E HA -0.017 4.338 4.350 0.008 0.000 0.190 209 E C 0.187 176.847 176.600 0.100 0.000 0.969 209 E CA 0.552 56.962 56.400 0.017 0.000 0.815 209 E CB 0.507 30.220 29.700 0.022 0.000 0.776 209 E HN 0.772 nan 8.360 nan 0.000 0.457 210 S N -0.970 114.747 115.700 0.027 0.000 2.615 210 S HA 0.402 4.877 4.470 0.008 0.000 0.268 210 S C -1.169 173.485 174.600 0.091 0.000 1.146 210 S CA -0.639 57.653 58.200 0.153 0.000 0.818 210 S CB 1.757 65.054 63.200 0.162 0.000 1.111 210 S HN 0.215 nan 8.310 nan 0.000 0.465 211 V N 0.707 120.747 119.914 0.211 0.000 2.531 211 V HA 0.833 4.958 4.120 0.008 0.000 0.301 211 V C -0.508 175.741 176.094 0.257 0.000 1.034 211 V CA -0.640 61.765 62.300 0.175 0.000 0.865 211 V CB 1.499 33.412 31.823 0.149 0.000 0.995 211 V HN 1.198 nan 8.190 nan 0.000 0.424 212 R N 4.091 124.718 120.500 0.212 0.000 2.407 212 R HA 0.731 5.076 4.340 0.008 0.000 0.303 212 R C 0.178 176.594 176.300 0.194 0.000 0.981 212 R CA 0.241 56.462 56.100 0.203 0.000 0.905 212 R CB 1.680 32.073 30.300 0.156 0.000 1.099 212 R HN 1.017 nan 8.270 nan 0.000 0.459 213 T N 0.697 115.377 114.554 0.211 0.000 2.897 213 T HA 0.398 4.753 4.350 0.008 0.000 0.278 213 T C 1.333 176.103 174.700 0.118 0.000 0.981 213 T CA -0.284 61.918 62.100 0.171 0.000 0.973 213 T CB 1.551 70.553 68.868 0.222 0.000 1.092 213 T HN 0.632 nan 8.240 nan 0.000 0.543 214 A N 0.618 123.494 122.820 0.093 0.000 2.019 214 A HA -0.005 4.320 4.320 0.008 0.000 0.219 214 A C 2.341 179.962 177.584 0.061 0.000 1.164 214 A CA 1.921 53.999 52.037 0.069 0.000 0.644 214 A CB -1.588 17.447 19.000 0.057 0.000 0.805 214 A HN 1.088 nan 8.150 nan 0.000 0.449 215 T N -4.669 109.929 114.554 0.073 0.000 3.129 215 T HA 0.396 4.751 4.350 0.008 0.000 0.251 215 T C 1.354 176.083 174.700 0.048 0.000 1.117 215 T CA 1.058 63.192 62.100 0.058 0.000 1.034 215 T CB 0.069 68.975 68.868 0.064 0.000 0.968 215 T HN 1.655 nan 8.240 nan 0.000 0.526 216 G N 1.357 110.191 108.800 0.056 0.000 2.175 216 G HA2 -0.238 3.727 3.960 0.008 0.000 0.244 216 G HA3 -0.238 3.727 3.960 0.008 0.000 0.244 216 G C 0.114 175.024 174.900 0.016 0.000 0.982 216 G CA -0.324 44.796 45.100 0.033 0.000 0.641 216 G HN 0.661 nan 8.290 nan 0.000 0.527 217 R N -0.057 120.463 120.500 0.033 0.000 2.539 217 R HA 0.558 4.903 4.340 0.008 0.000 0.275 217 R C 0.529 176.775 176.300 -0.089 0.000 1.077 217 R CA 0.239 56.292 56.100 -0.079 0.000 1.097 217 R CB 1.617 31.864 30.300 -0.087 0.000 1.018 217 R HN 0.715 nan 8.270 nan 0.000 0.483 218 V N 0.282 120.039 119.914 -0.262 0.000 2.495 218 V HA 0.657 4.782 4.120 0.008 0.000 0.298 218 V C -1.033 174.865 176.094 -0.325 0.000 1.031 218 V CA -0.847 61.380 62.300 -0.121 0.000 0.871 218 V CB 1.175 32.976 31.823 -0.036 0.000 0.988 218 V HN 0.495 nan 8.190 nan 0.000 0.432 219 F N 3.344 123.346 119.950 0.086 0.000 2.495 219 F HA 0.784 5.316 4.527 0.008 0.000 0.327 219 F C 0.023 175.911 175.800 0.145 0.000 1.103 219 F CA -0.593 57.459 58.000 0.087 0.000 0.949 219 F CB 1.915 40.961 39.000 0.077 0.000 1.142 219 F HN 0.854 nan 8.300 nan 0.000 0.457 220 D N 0.891 121.443 120.400 0.254 0.000 2.450 220 D HA 0.887 5.532 4.640 0.008 0.000 0.238 220 D C -1.086 175.245 176.300 0.051 0.000 1.020 220 D CA -0.840 53.307 54.000 0.244 0.000 1.010 220 D CB 2.062 42.959 40.800 0.161 0.000 1.342 220 D HN 0.789 nan 8.370 nan 0.000 0.530 221 A N -0.101 122.680 122.820 -0.066 0.000 2.540 221 A HA 0.442 4.767 4.320 0.008 0.000 0.291 221 A C -0.812 176.647 177.584 -0.207 0.000 1.083 221 A CA -0.679 51.158 52.037 -0.334 0.000 0.650 221 A CB 0.865 19.385 19.000 -0.800 0.000 1.292 221 A HN 0.492 nan 8.150 nan 0.000 0.435 222 D N -0.836 119.456 120.400 -0.180 0.000 2.301 222 D HA 0.214 4.859 4.640 0.008 0.000 0.206 222 D C -0.187 176.082 176.300 -0.052 0.000 0.979 222 D CA 1.047 55.019 54.000 -0.047 0.000 0.874 222 D CB 0.595 41.377 40.800 -0.031 0.000 0.968 222 D HN 0.249 nan 8.370 nan 0.000 0.510 223 L N 0.324 121.417 121.223 -0.217 0.000 2.438 223 L HA 0.380 4.725 4.340 0.008 0.000 0.270 223 L C -1.818 174.848 176.870 -0.339 0.000 0.972 223 L CA -0.617 54.120 54.840 -0.173 0.000 0.831 223 L CB 1.809 43.735 42.059 -0.221 0.000 1.273 223 L HN -0.332 nan 8.230 nan 0.000 0.405 224 F N 4.894 124.772 119.950 -0.120 0.000 2.426 224 F HA 0.601 5.133 4.527 0.008 0.000 0.348 224 F C 0.045 175.747 175.800 -0.162 0.000 1.124 224 F CA -0.834 57.099 58.000 -0.111 0.000 1.008 224 F CB 1.945 40.901 39.000 -0.072 0.000 1.139 224 F HN 0.273 nan 8.300 nan 0.000 0.452 225 V N 2.460 122.353 119.914 -0.036 0.000 2.370 225 V HA 0.477 4.602 4.120 0.008 0.000 0.283 225 V C -0.705 175.352 176.094 -0.062 0.000 1.023 225 V CA -0.441 61.800 62.300 -0.098 0.000 0.857 225 V CB 1.314 33.049 31.823 -0.147 0.000 0.985 225 V HN 0.696 nan 8.190 nan 0.000 0.443 226 D N 5.274 125.644 120.400 -0.051 0.000 2.339 226 D HA 0.310 4.955 4.640 0.008 0.000 0.241 226 D C -0.054 176.205 176.300 -0.068 0.000 1.183 226 D CA -0.064 53.910 54.000 -0.045 0.000 0.859 226 D CB 0.837 41.624 40.800 -0.022 0.000 1.067 226 D HN 0.732 nan 8.370 nan 0.000 0.484 227 C N 2.970 122.214 119.300 -0.094 0.000 2.741 227 C HA 0.131 4.596 4.460 0.008 0.000 0.267 227 C C 1.685 176.606 174.990 -0.115 0.000 1.549 227 C CA -0.308 58.642 59.018 -0.114 0.000 1.772 227 C CB -1.300 26.346 27.740 -0.156 0.000 2.962 227 C HN 0.668 nan 8.230 nan 0.000 0.514 228 S N 0.020 115.666 115.700 -0.090 0.000 2.650 228 S HA 0.423 4.897 4.470 0.008 0.000 0.219 228 S C 1.119 175.664 174.600 -0.091 0.000 0.960 228 S CA 0.660 58.813 58.200 -0.078 0.000 0.925 228 S CB -0.177 62.991 63.200 -0.053 0.000 0.775 228 S HN 1.150 nan 8.310 nan 0.000 0.525 229 G N 1.363 110.080 108.800 -0.139 0.000 2.642 229 G HA2 -0.263 3.701 3.960 0.008 0.000 0.231 229 G HA3 -0.263 3.701 3.960 0.008 0.000 0.231 229 G C 0.077 174.861 174.900 -0.194 0.000 1.338 229 G CA -0.140 44.810 45.100 -0.250 0.000 0.883 229 G HN 0.277 nan 8.290 nan 0.000 0.570 230 F N 1.017 120.915 119.950 -0.086 0.000 2.271 230 F HA -0.109 4.423 4.527 0.008 0.000 0.302 230 F C 2.900 178.614 175.800 -0.144 0.000 1.063 230 F CA 2.125 60.036 58.000 -0.148 0.000 1.362 230 F CB -0.373 38.529 39.000 -0.163 0.000 1.060 230 F HN 0.395 nan 8.300 nan 0.000 0.521 231 R N -0.114 120.423 120.500 0.061 0.000 2.115 231 R HA 0.048 4.393 4.340 0.008 0.000 0.230 231 R C 1.673 177.969 176.300 -0.007 0.000 1.111 231 R CA 0.740 56.849 56.100 0.015 0.000 0.976 231 R CB -0.825 29.480 30.300 0.007 0.000 0.870 231 R HN 0.297 nan 8.270 nan 0.000 0.445 232 G N 1.729 110.522 108.800 -0.011 0.000 2.371 232 G HA2 -0.235 3.730 3.960 0.008 0.000 0.299 232 G HA3 -0.235 3.730 3.960 0.008 0.000 0.299 232 G C 0.497 175.390 174.900 -0.012 0.000 1.014 232 G CA -0.078 45.019 45.100 -0.005 0.000 1.097 232 G HN 0.096 nan 8.290 nan 0.000 0.512 233 L N -1.078 120.132 121.223 -0.022 0.000 2.081 233 L HA -0.082 4.263 4.340 0.008 0.000 0.212 233 L C 2.928 179.773 176.870 -0.042 0.000 1.080 233 L CA 2.140 56.962 54.840 -0.030 0.000 0.754 233 L CB -0.601 41.440 42.059 -0.031 0.000 0.893 233 L HN 0.587 nan 8.230 nan 0.000 0.433 234 L N -2.538 118.662 121.223 -0.038 0.000 2.276 234 L HA -0.025 4.320 4.340 0.008 0.000 0.194 234 L C 2.303 179.154 176.870 -0.033 0.000 1.099 234 L CA 0.274 55.082 54.840 -0.053 0.000 0.800 234 L CB -0.514 41.518 42.059 -0.046 0.000 0.994 234 L HN 0.084 nan 8.230 nan 0.000 0.475 235 I N 0.855 121.423 120.570 -0.003 0.000 2.163 235 I HA -0.298 3.877 4.170 0.008 0.000 0.243 235 I C 1.847 177.983 176.117 0.032 0.000 1.085 235 I CA 2.030 63.346 61.300 0.026 0.000 1.347 235 I CB -0.276 37.757 38.000 0.054 0.000 1.044 235 I HN 0.283 nan 8.210 nan 0.000 0.408 236 N N -0.619 118.100 118.700 0.031 0.000 2.333 236 N HA -0.067 4.677 4.740 0.008 0.000 0.183 236 N C 1.793 177.310 175.510 0.012 0.000 1.030 236 N CA 0.683 53.757 53.050 0.039 0.000 0.867 236 N CB -0.208 38.309 38.487 0.050 0.000 1.027 236 N HN 0.203 nan 8.380 nan 0.000 0.435 237 K N 0.959 121.355 120.400 -0.007 0.000 1.991 237 K HA 0.057 4.382 4.320 0.008 0.000 0.207 237 K C 2.026 178.601 176.600 -0.041 0.000 1.045 237 K CA 1.157 57.431 56.287 -0.023 0.000 0.937 237 K CB -0.112 32.370 32.500 -0.030 0.000 0.720 237 K HN 0.128 nan 8.250 nan 0.000 0.438 238 A N 0.985 123.769 122.820 -0.060 0.000 1.854 238 A HA -0.097 4.228 4.320 0.008 0.000 0.214 238 A C 2.026 179.569 177.584 -0.068 0.000 1.192 238 A CA 1.336 53.319 52.037 -0.089 0.000 0.611 238 A CB -0.323 18.601 19.000 -0.128 0.000 0.832 238 A HN 0.288 nan 8.150 nan 0.000 0.442 239 M N -0.902 118.668 119.600 -0.050 0.000 2.562 239 M HA 0.039 4.524 4.480 0.008 0.000 0.257 239 M C 0.115 176.409 176.300 -0.010 0.000 1.099 239 M CA 0.788 56.071 55.300 -0.029 0.000 1.099 239 M CB -1.232 31.362 32.600 -0.010 0.000 1.427 239 M HN 0.581 nan 8.290 nan 0.000 0.489 240 E N 0.428 120.625 120.200 -0.005 0.000 2.791 240 E HA -0.213 4.142 4.350 0.008 0.000 0.271 240 E C -0.018 176.595 176.600 0.022 0.000 1.044 240 E CA 0.486 56.890 56.400 0.007 0.000 0.814 240 E CB -1.508 28.192 29.700 -0.000 0.000 1.400 240 E HN 0.415 nan 8.360 nan 0.000 0.423 241 E N 1.364 121.584 120.200 0.033 0.000 2.290 241 E HA 0.177 4.532 4.350 0.008 0.000 0.277 241 E C -2.506 174.134 176.600 0.067 0.000 1.035 241 E CA -2.269 54.158 56.400 0.045 0.000 0.873 241 E CB 0.721 30.453 29.700 0.054 0.000 1.029 241 E HN -0.122 nan 8.360 nan 0.000 0.419 242 P HA 0.053 nan 4.420 nan 0.000 0.268 242 P C -1.106 176.260 177.300 0.111 0.000 1.204 242 P CA -0.013 63.134 63.100 0.078 0.000 0.768 242 P CB 0.242 31.967 31.700 0.041 0.000 0.842 243 F N 3.896 123.854 119.950 0.012 0.000 2.394 243 F HA 0.379 4.911 4.527 0.008 0.000 0.340 243 F C -0.565 175.245 175.800 0.017 0.000 1.105 243 F CA -0.624 57.383 58.000 0.012 0.000 1.124 243 F CB 0.550 39.565 39.000 0.024 0.000 1.145 243 F HN 0.073 nan 8.300 nan 0.000 0.505 244 L N 5.732 126.533 121.223 -0.703 0.000 2.259 244 L HA 0.236 4.581 4.340 0.008 0.000 0.288 244 L C -0.479 176.107 176.870 -0.472 0.000 1.051 244 L CA -0.778 53.814 54.840 -0.413 0.000 0.824 244 L CB 0.800 42.691 42.059 -0.279 0.000 1.206 244 L HN 0.624 nan 8.230 nan 0.000 0.429 245 D N 3.897 124.260 120.400 -0.061 0.000 2.414 245 D HA 0.178 4.823 4.640 0.008 0.000 0.242 245 D C 0.202 176.565 176.300 0.104 0.000 1.129 245 D CA 0.185 54.270 54.000 0.141 0.000 0.885 245 D CB 0.866 41.787 40.800 0.202 0.000 1.198 245 D HN 0.441 nan 8.370 nan 0.000 0.437 246 M N 2.543 122.255 119.600 0.188 0.000 3.002 246 M HA 0.068 4.553 4.480 0.008 0.000 0.398 246 M C 0.894 177.323 176.300 0.216 0.000 1.366 246 M CA -0.344 55.089 55.300 0.222 0.000 0.824 246 M CB 0.829 33.620 32.600 0.318 0.000 1.414 246 M HN 0.461 nan 8.290 nan 0.000 0.501 247 S N -0.805 114.992 115.700 0.162 0.000 2.603 247 S HA -0.098 4.377 4.470 0.008 0.000 0.229 247 S C 1.126 175.762 174.600 0.061 0.000 0.972 247 S CA 0.877 59.156 58.200 0.133 0.000 0.935 247 S CB -0.433 62.837 63.200 0.117 0.000 0.769 247 S HN 0.600 nan 8.310 nan 0.000 0.536 248 D N 0.204 120.598 120.400 -0.009 0.000 2.349 248 D HA -0.083 4.562 4.640 0.008 0.000 0.224 248 D C 1.109 177.225 176.300 -0.306 0.000 1.029 248 D CA 0.571 54.480 54.000 -0.151 0.000 0.879 248 D CB -0.441 40.230 40.800 -0.214 0.000 0.906 248 D HN 0.536 nan 8.370 nan 0.000 0.528 249 H N -0.555 118.557 119.070 0.069 0.000 3.205 249 H HA 0.379 4.941 4.556 0.008 0.000 0.252 249 H C 0.083 175.456 175.328 0.075 0.000 1.015 249 H CA -0.003 56.081 56.048 0.060 0.000 1.192 249 H CB 1.676 31.475 29.762 0.062 0.000 1.474 249 H HN 0.045 nan 8.280 nan 0.000 0.484 250 L N 1.700 123.036 121.223 0.189 0.000 2.441 250 L HA 0.253 4.598 4.340 0.008 0.000 0.270 250 L C 0.800 177.732 176.870 0.102 0.000 0.973 250 L CA -0.195 54.731 54.840 0.142 0.000 0.842 250 L CB 2.902 45.090 42.059 0.214 0.000 1.239 250 L HN -0.071 nan 8.230 nan 0.000 0.406 251 L N 1.235 122.469 121.223 0.018 0.000 2.240 251 L HA 0.055 4.400 4.340 0.008 0.000 0.211 251 L C 0.669 177.612 176.870 0.123 0.000 1.106 251 L CA 0.615 55.507 54.840 0.086 0.000 0.793 251 L CB -0.235 41.871 42.059 0.079 0.000 0.927 251 L HN 0.662 nan 8.230 nan 0.000 0.446 252 N N 1.289 120.050 118.700 0.103 0.000 2.475 252 N HA 0.006 4.751 4.740 0.008 0.000 0.267 252 N C -0.161 175.493 175.510 0.240 0.000 1.169 252 N CA 0.029 53.159 53.050 0.133 0.000 0.947 252 N CB 0.630 39.249 38.487 0.220 0.000 1.061 252 N HN 0.196 nan 8.380 nan 0.000 0.466 253 D N -0.870 119.574 120.400 0.073 0.000 2.516 253 D HA 0.112 4.757 4.640 0.008 0.000 0.241 253 D C -0.530 175.442 176.300 -0.546 0.000 1.246 253 D CA -0.064 53.987 54.000 0.084 0.000 0.808 253 D CB 0.314 41.104 40.800 -0.017 0.000 1.147 253 D HN 0.199 nan 8.370 nan 0.000 0.527 254 S N -0.636 114.567 115.700 -0.828 0.000 2.720 254 S HA 0.965 5.440 4.470 0.008 0.000 0.287 254 S C -1.220 172.785 174.600 -0.992 0.000 1.168 254 S CA -0.485 56.947 58.200 -1.280 0.000 0.832 254 S CB 2.019 64.347 63.200 -1.454 0.000 1.166 254 S HN 0.529 nan 8.310 nan 0.000 0.493 255 A N 0.475 122.899 122.820 -0.660 0.000 2.594 255 A HA 0.671 4.996 4.320 0.008 0.000 0.296 255 A C -1.958 175.548 177.584 -0.131 0.000 1.056 255 A CA -0.572 51.331 52.037 -0.224 0.000 0.693 255 A CB 0.958 19.968 19.000 0.016 0.000 1.278 255 A HN 0.680 nan 8.150 nan 0.000 0.408 256 V N 0.868 120.634 119.914 -0.246 0.000 2.444 256 V HA 0.822 4.947 4.120 0.008 0.000 0.294 256 V C 0.354 176.046 176.094 -0.670 0.000 1.022 256 V CA 0.166 62.263 62.300 -0.340 0.000 0.850 256 V CB 1.022 32.633 31.823 -0.354 0.000 0.992 256 V HN 1.772 nan 8.190 nan 0.000 0.426 257 A N 3.401 126.027 122.820 -0.324 0.000 2.527 257 A HA 1.012 5.337 4.320 0.008 0.000 0.293 257 A C -0.457 177.174 177.584 0.078 0.000 1.117 257 A CA -0.541 51.352 52.037 -0.240 0.000 0.723 257 A CB 2.531 21.495 19.000 -0.060 0.000 1.313 257 A HN 0.783 nan 8.150 nan 0.000 0.411 258 T N -0.917 113.744 114.554 0.179 0.000 2.677 258 T HA 0.473 4.828 4.350 0.008 0.000 0.305 258 T C -1.947 172.785 174.700 0.053 0.000 1.569 258 T CA -0.366 61.819 62.100 0.143 0.000 0.984 258 T CB 1.425 70.391 68.868 0.163 0.000 1.629 258 T HN 0.817 nan 8.240 nan 0.000 0.494 259 Q N 1.674 121.451 119.800 -0.039 0.000 2.330 259 Q HA 0.687 5.032 4.340 0.008 0.000 0.269 259 Q C -1.692 174.124 176.000 -0.307 0.000 1.022 259 Q CA -0.670 55.046 55.803 -0.146 0.000 0.796 259 Q CB 1.815 30.523 28.738 -0.050 0.000 1.271 259 Q HN 0.525 nan 8.270 nan 0.000 0.450 260 V N 5.701 125.231 119.914 -0.641 0.000 2.417 260 V HA 0.407 4.532 4.120 0.008 0.000 0.291 260 V C -2.265 173.491 176.094 -0.564 0.000 1.024 260 V CA -1.956 59.903 62.300 -0.735 0.000 0.861 260 V CB 1.366 32.415 31.823 -1.289 0.000 0.985 260 V HN 0.785 nan 8.190 nan 0.000 0.436 261 P HA 0.132 nan 4.420 nan 0.000 0.267 261 P C -0.709 176.599 177.300 0.012 0.000 1.200 261 P CA 0.275 63.318 63.100 -0.095 0.000 0.772 261 P CB 0.280 31.944 31.700 -0.059 0.000 0.855 262 H N 1.654 120.712 119.070 -0.020 0.000 2.865 262 H HA 0.190 4.751 4.556 0.008 0.000 0.362 262 H C -1.271 174.073 175.328 0.028 0.000 1.114 262 H CA -0.575 55.510 56.048 0.062 0.000 1.208 262 H CB 1.622 31.498 29.762 0.190 0.000 1.727 262 H HN 0.249 nan 8.280 nan 0.000 0.534 263 D N 3.560 123.657 120.400 -0.505 0.000 2.422 263 D HA 0.063 4.708 4.640 0.008 0.000 0.227 263 D C 0.340 176.381 176.300 -0.433 0.000 1.190 263 D CA -0.038 53.755 54.000 -0.344 0.000 0.905 263 D CB 0.532 41.184 40.800 -0.248 0.000 1.034 263 D HN 0.486 nan 8.370 nan 0.000 0.507 264 D N 2.156 122.443 120.400 -0.187 0.000 2.117 264 D HA -0.137 4.508 4.640 0.008 0.000 0.198 264 D C 1.161 177.145 176.300 -0.526 0.000 0.982 264 D CA 0.733 54.588 54.000 -0.242 0.000 0.828 264 D CB 0.213 40.888 40.800 -0.208 0.000 0.967 264 D HN 0.494 nan 8.370 nan 0.000 0.464 265 D N 0.367 120.578 120.400 -0.314 0.000 2.182 265 D HA -0.112 4.533 4.640 0.008 0.000 0.201 265 D C 1.762 178.009 176.300 -0.089 0.000 0.986 265 D CA 1.122 55.050 54.000 -0.121 0.000 0.847 265 D CB 0.070 40.892 40.800 0.037 0.000 0.942 265 D HN 0.191 nan 8.370 nan 0.000 0.467 266 A N 0.115 122.863 122.820 -0.118 0.000 2.063 266 A HA 0.030 4.355 4.320 0.008 0.000 0.211 266 A C 1.741 179.282 177.584 -0.071 0.000 1.177 266 A CA 0.338 52.329 52.037 -0.077 0.000 0.759 266 A CB 0.257 19.209 19.000 -0.079 0.000 0.857 266 A HN 0.074 nan 8.150 nan 0.000 0.468 267 N N -0.695 117.939 118.700 -0.109 0.000 2.181 267 N HA 0.255 5.000 4.740 0.008 0.000 0.207 267 N C 0.875 176.400 175.510 0.025 0.000 1.182 267 N CA 0.843 53.878 53.050 -0.025 0.000 0.893 267 N CB 1.080 39.559 38.487 -0.013 0.000 1.032 267 N HN 0.527 nan 8.380 nan 0.000 0.513 268 G N 1.034 109.795 108.800 -0.066 0.000 2.796 268 G HA2 -0.235 3.730 3.960 0.008 0.000 0.226 268 G HA3 -0.235 3.730 3.960 0.008 0.000 0.226 268 G C -0.727 174.196 174.900 0.039 0.000 1.381 268 G CA -0.489 44.586 45.100 -0.043 0.000 0.867 268 G HN 0.033 nan 8.290 nan 0.000 0.552 269 V N 0.560 120.510 119.914 0.059 0.000 2.487 269 V HA 0.457 4.581 4.120 0.008 0.000 0.298 269 V C 0.358 176.416 176.094 -0.061 0.000 1.028 269 V CA -0.679 61.631 62.300 0.016 0.000 0.860 269 V CB 1.621 33.500 31.823 0.095 0.000 0.991 269 V HN 0.750 nan 8.190 nan 0.000 0.427 270 E N 6.728 126.792 120.200 -0.227 0.000 2.324 270 E HA 0.160 4.515 4.350 0.008 0.000 0.271 270 E C -2.025 174.312 176.600 -0.438 0.000 1.028 270 E CA -1.460 54.634 56.400 -0.509 0.000 0.890 270 E CB 1.035 30.114 29.700 -1.035 0.000 1.004 270 E HN 0.481 nan 8.360 nan 0.000 0.431 271 P HA 0.071 nan 4.420 nan 0.000 0.228 271 P C -1.241 176.110 177.300 0.084 0.000 1.764 271 P CA 0.030 63.099 63.100 -0.051 0.000 0.929 271 P CB -0.626 31.078 31.700 0.008 0.000 1.675 272 F N -3.963 116.060 119.950 0.122 0.000 2.719 272 F HA 0.536 5.068 4.527 0.007 0.000 0.309 272 F C -0.888 175.084 175.800 0.287 0.000 1.138 272 F CA -1.228 56.857 58.000 0.141 0.000 0.943 272 F CB 0.273 39.334 39.000 0.102 0.000 1.304 272 F HN -0.442 nan 8.300 nan 0.000 0.445 273 T N 1.479 116.331 114.554 0.497 0.000 2.882 273 T HA 0.562 4.916 4.350 0.008 0.000 0.287 273 T C -0.443 174.442 174.700 0.308 0.000 0.992 273 T CA -0.446 61.848 62.100 0.323 0.000 1.076 273 T CB 1.205 70.230 68.868 0.262 0.000 0.961 273 T HN 0.655 nan 8.240 nan 0.000 0.490 274 S N 1.838 117.709 115.700 0.285 0.000 2.475 274 S HA 0.663 5.138 4.470 0.008 0.000 0.298 274 S C -0.254 174.522 174.600 0.294 0.000 1.119 274 S CA -0.822 57.528 58.200 0.249 0.000 1.085 274 S CB 1.406 64.784 63.200 0.297 0.000 1.028 274 S HN 0.847 nan 8.310 nan 0.000 0.489 275 A N 3.680 126.586 122.820 0.145 0.000 2.328 275 A HA 0.622 4.947 4.320 0.008 0.000 0.318 275 A C -0.440 177.525 177.584 0.635 0.000 1.347 275 A CA -0.572 51.731 52.037 0.443 0.000 0.842 275 A CB -0.211 18.686 19.000 -0.173 0.000 1.148 275 A HN 0.818 nan 8.150 nan 0.000 0.499 276 I N 2.785 123.727 120.570 0.620 0.000 2.297 276 I HA 0.375 4.550 4.170 0.008 0.000 0.291 276 I C 0.982 177.262 176.117 0.272 0.000 1.033 276 I CA -0.195 61.327 61.300 0.370 0.000 1.253 276 I CB 1.538 39.643 38.000 0.176 0.000 1.396 276 I HN 0.668 nan 8.210 nan 0.000 0.476 277 A N 8.414 131.220 122.820 -0.023 0.000 2.511 277 A HA 0.450 4.775 4.320 0.008 0.000 0.242 277 A C 0.233 177.812 177.584 -0.008 0.000 1.069 277 A CA 0.219 52.099 52.037 -0.261 0.000 0.763 277 A CB 0.221 18.783 19.000 -0.729 0.000 1.001 277 A HN 0.675 nan 8.150 nan 0.000 0.498 278 M N 1.192 120.873 119.600 0.134 0.000 2.826 278 M HA 0.364 4.849 4.480 0.008 0.000 0.288 278 M C 0.847 177.301 176.300 0.256 0.000 1.141 278 M CA -0.543 54.762 55.300 0.009 0.000 0.816 278 M CB 0.749 33.167 32.600 -0.304 0.000 1.704 278 M HN 0.742 nan 8.290 nan 0.000 0.497 279 K N -0.040 120.447 120.400 0.144 0.000 2.228 279 K HA 0.081 4.406 4.320 0.008 0.000 0.202 279 K C 0.547 177.198 176.600 0.086 0.000 1.051 279 K CA 0.876 57.308 56.287 0.241 0.000 0.960 279 K CB 0.229 32.809 32.500 0.133 0.000 0.743 279 K HN 0.431 nan 8.250 nan 0.000 0.458 280 S N -0.082 115.512 115.700 -0.176 0.000 2.901 280 S HA 0.379 4.854 4.470 0.008 0.000 0.248 280 S C -0.151 173.679 174.600 -1.284 0.000 1.021 280 S CA -0.242 57.488 58.200 -0.784 0.000 1.090 280 S CB 1.504 64.577 63.200 -0.212 0.000 1.039 280 S HN 0.496 nan 8.310 nan 0.000 0.514 281 G N 1.485 109.627 108.800 -1.097 0.000 2.441 281 G HA2 0.319 4.284 3.960 0.008 0.000 0.222 281 G HA3 0.319 4.284 3.960 0.008 0.000 0.222 281 G C -2.149 172.936 174.900 0.309 0.000 1.254 281 G CA -0.254 44.611 45.100 -0.392 0.000 0.959 281 G HN 0.430 nan 8.290 nan 0.000 0.474 282 W N -0.600 120.911 121.300 0.351 0.000 3.074 282 W HA 0.772 5.437 4.660 0.008 0.000 0.332 282 W C -1.552 175.206 176.519 0.397 0.000 1.253 282 W CA -0.798 56.737 57.345 0.317 0.000 1.180 282 W CB 0.786 30.532 29.460 0.476 0.000 1.445 282 W HN 0.778 nan 8.180 nan 0.000 0.573 283 T N 2.275 117.014 114.554 0.307 0.000 2.848 283 T HA 0.404 4.759 4.350 0.008 0.000 0.285 283 T C -0.938 173.987 174.700 0.375 0.000 0.995 283 T CA -0.215 61.935 62.100 0.084 0.000 0.970 283 T CB 1.335 70.256 68.868 0.089 0.000 0.976 283 T HN 0.431 nan 8.240 nan 0.000 0.441 284 W N 2.517 123.911 121.300 0.156 0.000 2.375 284 W HA 0.788 5.453 4.660 0.009 0.000 0.336 284 W C -0.556 176.173 176.519 0.351 0.000 1.160 284 W CA -1.257 56.306 57.345 0.364 0.000 1.266 284 W CB 0.614 30.246 29.460 0.286 0.000 1.195 284 W HN 0.521 nan 8.180 nan 0.000 0.599 285 K N 4.061 124.827 120.400 0.609 0.000 2.613 285 K HA 0.437 4.762 4.320 0.008 0.000 0.248 285 K C -1.721 175.019 176.600 0.233 0.000 0.959 285 K CA -0.578 55.932 56.287 0.373 0.000 0.855 285 K CB 0.846 33.455 32.500 0.181 0.000 1.143 285 K HN 0.766 nan 8.250 nan 0.000 0.437 286 I N 6.385 127.085 120.570 0.216 0.000 2.428 286 I HA 0.270 4.445 4.170 0.008 0.000 0.279 286 I C -2.330 173.696 176.117 -0.153 0.000 1.040 286 I CA -2.472 58.709 61.300 -0.198 0.000 1.171 286 I CB 1.611 39.520 38.000 -0.152 0.000 1.312 286 I HN 0.329 nan 8.210 nan 0.000 0.470 287 P HA 0.222 nan 4.420 nan 0.000 0.267 287 P C -0.444 176.919 177.300 0.105 0.000 1.205 287 P CA 0.389 63.472 63.100 -0.028 0.000 0.765 287 P CB 0.725 32.371 31.700 -0.090 0.000 0.828 288 M N 1.960 121.628 119.600 0.112 0.000 2.708 288 M HA 0.384 4.869 4.480 0.008 0.000 0.280 288 M C -0.718 175.660 176.300 0.131 0.000 1.095 288 M CA -1.091 54.300 55.300 0.151 0.000 0.822 288 M CB 0.403 33.096 32.600 0.155 0.000 1.698 288 M HN -0.068 nan 8.290 nan 0.000 0.475 289 L N 1.954 123.254 121.223 0.128 0.000 2.342 289 L HA 0.333 4.678 4.340 0.008 0.000 0.285 289 L C 0.965 177.906 176.870 0.118 0.000 1.095 289 L CA 0.750 55.664 54.840 0.123 0.000 0.843 289 L CB -0.527 41.592 42.059 0.101 0.000 1.201 289 L HN 0.937 nan 8.230 nan 0.000 0.445 290 G N 2.557 111.445 108.800 0.147 0.000 2.155 290 G HA2 -0.255 3.709 3.960 0.008 0.000 0.257 290 G HA3 -0.255 3.709 3.960 0.008 0.000 0.257 290 G C 0.358 175.344 174.900 0.143 0.000 0.983 290 G CA 0.640 45.827 45.100 0.145 0.000 0.676 290 G HN 0.758 nan 8.290 nan 0.000 0.528 291 R N -1.378 119.205 120.500 0.140 0.000 2.741 291 R HA 0.665 5.010 4.340 0.008 0.000 0.276 291 R C -1.510 174.839 176.300 0.082 0.000 1.028 291 R CA -0.466 55.671 56.100 0.062 0.000 0.865 291 R CB 0.318 30.605 30.300 -0.022 0.000 1.268 291 R HN 1.040 nan 8.270 nan 0.000 0.475 292 F N -1.283 118.610 119.950 -0.096 0.000 2.574 292 F HA 0.736 5.268 4.527 0.008 0.000 0.313 292 F C -0.274 175.473 175.800 -0.089 0.000 1.130 292 F CA -0.773 57.144 58.000 -0.138 0.000 0.936 292 F CB 1.859 40.695 39.000 -0.273 0.000 1.219 292 F HN 0.722 nan 8.300 nan 0.000 0.445 293 G N 1.030 109.941 108.800 0.186 0.000 2.415 293 G HA2 0.489 4.454 3.960 0.008 0.000 0.269 293 G HA3 0.489 4.454 3.960 0.008 0.000 0.269 293 G C -1.030 174.107 174.900 0.396 0.000 1.209 293 G CA -0.279 44.972 45.100 0.251 0.000 0.835 293 G HN 0.981 nan 8.290 nan 0.000 0.534 294 T N -0.533 114.140 114.554 0.200 0.000 2.923 294 T HA 0.732 5.087 4.350 0.008 0.000 0.311 294 T C -0.360 174.041 174.700 -0.499 0.000 1.183 294 T CA 0.158 62.199 62.100 -0.099 0.000 1.020 294 T CB 1.623 70.541 68.868 0.084 0.000 1.165 294 T HN 1.411 nan 8.240 nan 0.000 0.482 295 G N 2.091 110.026 108.800 -1.441 0.000 2.759 295 G HA2 0.493 4.458 3.960 0.008 0.000 0.297 295 G HA3 0.493 4.458 3.960 0.008 0.000 0.297 295 G C -2.294 171.917 174.900 -1.148 0.000 1.434 295 G CA -0.565 43.551 45.100 -1.639 0.000 0.980 295 G HN 0.635 nan 8.290 nan 0.000 0.531 296 Y N 3.033 122.695 120.300 -1.062 0.000 2.385 296 Y HA 0.571 5.126 4.550 0.008 0.000 0.341 296 Y C -0.370 175.327 175.900 -0.338 0.000 0.965 296 Y CA -1.559 56.204 58.100 -0.562 0.000 1.180 296 Y CB 1.215 39.419 38.460 -0.427 0.000 1.139 296 Y HN 0.308 nan 8.280 nan 0.000 0.502 297 V N 9.660 129.483 119.914 -0.152 0.000 2.406 297 V HA 0.240 4.365 4.120 0.008 0.000 0.272 297 V C -0.582 175.407 176.094 -0.175 0.000 1.043 297 V CA -0.279 61.933 62.300 -0.148 0.000 0.915 297 V CB -0.500 31.225 31.823 -0.164 0.000 0.988 297 V HN 0.686 nan 8.190 nan 0.000 0.466 298 Y N 2.143 122.157 120.300 -0.478 0.000 2.669 298 Y HA 0.770 5.325 4.550 0.008 0.000 0.335 298 Y C -0.184 175.537 175.900 -0.298 0.000 1.116 298 Y CA -1.646 56.117 58.100 -0.562 0.000 1.081 298 Y CB 1.672 39.540 38.460 -0.986 0.000 1.297 298 Y HN 0.339 nan 8.280 nan 0.000 0.484 299 S N 0.729 116.331 115.700 -0.164 0.000 2.422 299 S HA 0.269 4.744 4.470 0.008 0.000 0.308 299 S C 0.857 175.488 174.600 0.051 0.000 1.097 299 S CA -0.063 58.125 58.200 -0.020 0.000 1.099 299 S CB 0.222 63.599 63.200 0.294 0.000 0.976 299 S HN 0.973 nan 8.310 nan 0.000 0.471 300 S N 5.098 120.724 115.700 -0.124 0.000 2.465 300 S HA -0.102 4.373 4.470 0.008 0.000 0.241 300 S C 1.421 176.012 174.600 -0.015 0.000 1.000 300 S CA 0.667 58.844 58.200 -0.038 0.000 0.964 300 S CB -0.272 62.847 63.200 -0.135 0.000 0.763 300 S HN 0.801 nan 8.310 nan 0.000 0.512 301 R N -0.632 119.842 120.500 -0.042 0.000 2.313 301 R HA 0.341 4.685 4.340 0.008 0.000 0.199 301 R C 0.455 176.452 176.300 -0.504 0.000 0.958 301 R CA 0.561 56.509 56.100 -0.253 0.000 1.047 301 R CB -0.129 29.974 30.300 -0.327 0.000 0.955 301 R HN 0.511 nan 8.270 nan 0.000 0.481 302 F N -1.342 118.630 119.950 0.038 0.000 2.789 302 F HA 0.448 4.980 4.527 0.008 0.000 0.320 302 F C 0.385 176.195 175.800 0.017 0.000 1.079 302 F CA -0.435 57.593 58.000 0.046 0.000 1.205 302 F CB 0.947 40.005 39.000 0.096 0.000 1.046 302 F HN -0.167 nan 8.300 nan 0.000 0.586 303 A N -0.283 122.626 122.820 0.149 0.000 2.520 303 A HA 0.633 4.958 4.320 0.008 0.000 0.298 303 A C -0.371 177.215 177.584 0.004 0.000 1.051 303 A CA -0.457 51.599 52.037 0.032 0.000 0.690 303 A CB 0.676 19.626 19.000 -0.084 0.000 1.281 303 A HN -0.096 nan 8.150 nan 0.000 0.402 304 T N 0.454 114.975 114.554 -0.055 0.000 2.868 304 T HA 0.161 4.515 4.350 0.008 0.000 0.292 304 T C 1.478 176.104 174.700 -0.123 0.000 1.028 304 T CA 0.278 62.349 62.100 -0.049 0.000 1.059 304 T CB 1.015 69.855 68.868 -0.046 0.000 0.991 304 T HN 0.796 nan 8.240 nan 0.000 0.531 305 E N 1.163 121.330 120.200 -0.054 0.000 2.070 305 E HA -0.220 4.135 4.350 0.008 0.000 0.197 305 E C 1.198 177.713 176.600 -0.142 0.000 1.004 305 E CA 1.564 57.917 56.400 -0.078 0.000 0.805 305 E CB 0.074 29.767 29.700 -0.012 0.000 0.744 305 E HN 0.568 nan 8.360 nan 0.000 0.451 306 D N 0.255 120.603 120.400 -0.087 0.000 2.144 306 D HA -0.145 4.500 4.640 0.008 0.000 0.200 306 D C 1.787 178.039 176.300 -0.080 0.000 0.978 306 D CA 0.962 54.922 54.000 -0.066 0.000 0.833 306 D CB -0.109 40.667 40.800 -0.039 0.000 0.961 306 D HN 0.379 nan 8.370 nan 0.000 0.470 307 E N 0.845 120.983 120.200 -0.103 0.000 2.110 307 E HA -0.115 4.240 4.350 0.008 0.000 0.193 307 E C 2.122 178.650 176.600 -0.120 0.000 0.988 307 E CA 0.881 57.225 56.400 -0.092 0.000 0.804 307 E CB 0.005 29.655 29.700 -0.084 0.000 0.745 307 E HN 0.169 nan 8.360 nan 0.000 0.458 308 A N 1.270 123.917 122.820 -0.289 0.000 1.898 308 A HA -0.125 4.200 4.320 0.008 0.000 0.216 308 A C 2.485 180.025 177.584 -0.073 0.000 1.181 308 A CA 1.391 53.196 52.037 -0.387 0.000 0.620 308 A CB -0.809 17.367 19.000 -1.373 0.000 0.819 308 A HN 0.240 nan 8.150 nan 0.000 0.442 309 V N -0.521 119.346 119.914 -0.078 0.000 2.427 309 V HA -0.199 3.926 4.120 0.008 0.000 0.248 309 V C 2.243 178.400 176.094 0.105 0.000 1.051 309 V CA 2.430 64.775 62.300 0.074 0.000 1.048 309 V CB -0.751 31.097 31.823 0.042 0.000 0.666 309 V HN 0.544 nan 8.190 nan 0.000 0.456 310 R N 0.030 120.548 120.500 0.029 0.000 2.070 310 R HA -0.121 4.224 4.340 0.008 0.000 0.233 310 R C 2.480 178.779 176.300 -0.002 0.000 1.137 310 R CA 2.386 58.490 56.100 0.008 0.000 0.945 310 R CB -0.429 29.862 30.300 -0.015 0.000 0.845 310 R HN 0.683 nan 8.270 nan 0.000 0.430 311 E N -0.502 119.701 120.200 0.006 0.000 2.085 311 E HA -0.243 4.112 4.350 0.008 0.000 0.194 311 E C 1.736 178.292 176.600 -0.073 0.000 0.994 311 E CA 1.409 57.781 56.400 -0.046 0.000 0.801 311 E CB -0.202 29.485 29.700 -0.022 0.000 0.743 311 E HN 0.236 nan 8.360 nan 0.000 0.453 312 F N 0.956 120.835 119.950 -0.117 0.000 2.113 312 F HA -0.204 4.328 4.527 0.008 0.000 0.297 312 F C 2.168 177.936 175.800 -0.053 0.000 1.103 312 F CA 1.070 59.007 58.000 -0.106 0.000 1.248 312 F CB -0.486 38.553 39.000 0.065 0.000 0.999 312 F HN 0.027 nan 8.300 nan 0.000 0.475 313 C N 0.529 119.793 119.300 -0.059 0.000 2.446 313 C HA -0.134 4.331 4.460 0.008 0.000 0.277 313 C C 2.662 177.541 174.990 -0.186 0.000 1.275 313 C CA 1.210 60.141 59.018 -0.144 0.000 1.727 313 C CB -1.185 26.545 27.740 -0.018 0.000 2.010 313 C HN 0.523 nan 8.230 nan 0.000 0.486 314 E N 0.879 120.967 120.200 -0.186 0.000 2.153 314 E HA -0.249 4.106 4.350 0.008 0.000 0.194 314 E C 2.163 178.483 176.600 -0.466 0.000 0.988 314 E CA 1.565 57.815 56.400 -0.250 0.000 0.811 314 E CB -0.222 29.372 29.700 -0.176 0.000 0.746 314 E HN 0.801 nan 8.360 nan 0.000 0.466 315 M N -1.507 117.784 119.600 -0.515 0.000 2.254 315 M HA -0.074 4.411 4.480 0.008 0.000 0.265 315 M C 1.100 176.930 176.300 -0.783 0.000 1.066 315 M CA 1.463 56.335 55.300 -0.712 0.000 1.123 315 M CB -0.179 31.924 32.600 -0.827 0.000 1.388 315 M HN 0.039 nan 8.290 nan 0.000 0.425 316 W N 0.126 121.192 121.300 -0.390 0.000 3.239 316 W HA 0.255 4.920 4.660 0.008 0.000 0.348 316 W C -0.294 176.159 176.519 -0.109 0.000 1.183 316 W CA -0.510 56.706 57.345 -0.213 0.000 1.819 316 W CB -0.117 29.188 29.460 -0.259 0.000 1.091 316 W HN 0.461 nan 8.180 nan 0.000 0.629 317 H N -0.290 118.820 119.070 0.068 0.000 2.677 317 H HA -0.171 4.390 4.556 0.008 0.000 0.321 317 H C -0.279 175.069 175.328 0.034 0.000 1.171 317 H CA 0.480 56.550 56.048 0.037 0.000 1.139 317 H CB -2.000 27.792 29.762 0.050 0.000 1.515 317 H HN 0.101 nan 8.280 nan 0.000 0.423 318 L N -0.103 121.151 121.223 0.052 0.000 2.334 318 L HA 0.396 4.740 4.340 0.008 0.000 0.270 318 L C 0.627 177.507 176.870 0.016 0.000 1.018 318 L CA -0.948 53.907 54.840 0.025 0.000 0.811 318 L CB 1.231 43.275 42.059 -0.025 0.000 1.271 318 L HN 0.155 nan 8.230 nan 0.000 0.443 319 D N 1.322 121.733 120.400 0.018 0.000 2.359 319 D HA 0.245 4.890 4.640 0.008 0.000 0.230 319 D C -1.832 174.480 176.300 0.019 0.000 1.118 319 D CA -1.865 52.146 54.000 0.018 0.000 0.844 319 D CB 1.636 42.446 40.800 0.017 0.000 1.059 319 D HN 0.115 nan 8.370 nan 0.000 0.493 320 P HA -0.161 nan 4.420 nan 0.000 0.216 320 P C 0.778 178.094 177.300 0.026 0.000 1.150 320 P CA 0.971 64.089 63.100 0.030 0.000 0.843 320 P CB 0.303 32.017 31.700 0.024 0.000 0.787 321 E N -1.421 118.790 120.200 0.019 0.000 2.285 321 E HA -0.048 4.307 4.350 0.008 0.000 0.194 321 E C 1.625 178.235 176.600 0.016 0.000 0.997 321 E CA 1.596 58.005 56.400 0.015 0.000 0.845 321 E CB -0.677 29.030 29.700 0.011 0.000 0.782 321 E HN 0.434 nan 8.360 nan 0.000 0.491 322 T N -3.294 111.270 114.554 0.016 0.000 2.958 322 T HA 0.084 4.439 4.350 0.008 0.000 0.256 322 T C 0.865 175.574 174.700 0.015 0.000 0.983 322 T CA -0.400 61.708 62.100 0.014 0.000 0.924 322 T CB 0.280 69.153 68.868 0.010 0.000 1.136 322 T HN -0.167 nan 8.240 nan 0.000 0.506 323 Q N 4.481 124.293 119.800 0.020 0.000 2.297 323 Q HA 0.306 4.651 4.340 0.008 0.000 0.267 323 Q C -2.520 173.500 176.000 0.034 0.000 1.006 323 Q CA -2.150 53.665 55.803 0.021 0.000 0.896 323 Q CB 0.637 29.390 28.738 0.025 0.000 1.186 323 Q HN 0.233 nan 8.270 nan 0.000 0.392 324 P HA 0.071 nan 4.420 nan 0.000 0.271 324 P C -1.147 176.190 177.300 0.062 0.000 1.226 324 P CA 0.295 63.416 63.100 0.036 0.000 0.765 324 P CB 0.489 32.203 31.700 0.024 0.000 0.835 325 L N 3.574 124.837 121.223 0.067 0.000 2.386 325 L HA 0.449 4.794 4.340 0.008 0.000 0.271 325 L C 0.212 177.119 176.870 0.062 0.000 0.993 325 L CA -0.814 54.078 54.840 0.087 0.000 0.819 325 L CB 1.988 44.106 42.059 0.099 0.000 1.294 325 L HN 0.216 nan 8.230 nan 0.000 0.414 326 N N 2.361 121.098 118.700 0.061 0.000 2.419 326 N HA 0.424 5.168 4.740 0.008 0.000 0.277 326 N C -0.914 174.605 175.510 0.016 0.000 1.006 326 N CA -0.508 52.576 53.050 0.056 0.000 0.923 326 N CB 1.781 40.328 38.487 0.100 0.000 1.140 326 N HN 0.448 nan 8.380 nan 0.000 0.488 327 R N 2.290 122.792 120.500 0.003 0.000 2.310 327 R HA 0.544 4.889 4.340 0.008 0.000 0.324 327 R C -0.559 175.706 176.300 -0.059 0.000 0.955 327 R CA -0.628 55.451 56.100 -0.034 0.000 0.830 327 R CB 0.924 31.209 30.300 -0.026 0.000 1.154 327 R HN 0.429 nan 8.270 nan 0.000 0.458 328 I N 1.813 122.308 120.570 -0.126 0.000 2.646 328 I HA 0.472 4.646 4.170 0.008 0.000 0.299 328 I C -0.322 175.514 176.117 -0.468 0.000 1.036 328 I CA -0.940 60.240 61.300 -0.200 0.000 1.074 328 I CB 1.707 39.654 38.000 -0.089 0.000 1.258 328 I HN 0.296 nan 8.210 nan 0.000 0.430 329 R N 4.995 125.219 120.500 -0.460 0.000 2.476 329 R HA 0.714 5.059 4.340 0.008 0.000 0.305 329 R C -1.895 174.040 176.300 -0.609 0.000 0.965 329 R CA -0.780 54.968 56.100 -0.587 0.000 0.867 329 R CB 0.555 30.646 30.300 -0.349 0.000 1.176 329 R HN 0.480 nan 8.270 nan 0.000 0.447 330 F N 1.069 120.713 119.950 -0.510 0.000 2.611 330 F HA 0.680 5.212 4.527 0.008 0.000 0.324 330 F C -0.153 175.241 175.800 -0.676 0.000 1.061 330 F CA -1.725 55.691 58.000 -0.974 0.000 0.954 330 F CB 0.866 39.048 39.000 -1.362 0.000 1.301 330 F HN 0.456 nan 8.300 nan 0.000 0.482 331 R N 0.643 120.784 120.500 -0.599 0.000 2.312 331 R HA 0.763 5.108 4.340 0.008 0.000 0.311 331 R C -1.736 174.686 176.300 0.203 0.000 1.004 331 R CA -0.748 55.231 56.100 -0.202 0.000 0.902 331 R CB 1.315 31.303 30.300 -0.519 0.000 1.073 331 R HN 0.529 nan 8.270 nan 0.000 0.457 332 V N 3.426 123.609 119.914 0.447 0.000 2.398 332 V HA 0.736 4.860 4.120 0.008 0.000 0.286 332 V C 0.736 177.207 176.094 0.629 0.000 1.026 332 V CA 0.538 63.199 62.300 0.601 0.000 0.868 332 V CB 0.762 32.870 31.823 0.474 0.000 0.982 332 V HN 1.140 nan 8.190 nan 0.000 0.443 333 G N 5.237 114.408 108.800 0.617 0.000 2.288 333 G HA2 0.260 4.225 3.960 0.008 0.000 0.227 333 G HA3 0.260 4.225 3.960 0.008 0.000 0.227 333 G C -1.006 173.544 174.900 -0.584 0.000 1.339 333 G CA -0.263 44.898 45.100 0.101 0.000 1.057 333 G HN 1.013 nan 8.290 nan 0.000 0.470 334 R N -0.767 119.095 120.500 -1.063 0.000 2.716 334 R HA 0.596 4.941 4.340 0.008 0.000 0.271 334 R C -1.022 174.816 176.300 -0.769 0.000 1.028 334 R CA -1.072 54.511 56.100 -0.862 0.000 0.883 334 R CB 0.550 30.286 30.300 -0.940 0.000 1.250 334 R HN 0.468 nan 8.270 nan 0.000 0.465 335 N N 0.979 119.508 118.700 -0.286 0.000 2.453 335 N HA 0.017 4.762 4.740 0.008 0.000 0.253 335 N C 0.584 176.007 175.510 -0.144 0.000 1.252 335 N CA -0.105 52.879 53.050 -0.111 0.000 0.917 335 N CB 0.889 39.408 38.487 0.052 0.000 1.117 335 N HN 0.625 nan 8.380 nan 0.000 0.442 336 R N 0.939 121.389 120.500 -0.085 0.000 2.105 336 R HA -0.061 4.284 4.340 0.008 0.000 0.239 336 R C -0.162 176.117 176.300 -0.035 0.000 1.135 336 R CA 1.425 57.488 56.100 -0.062 0.000 0.967 336 R CB 0.290 30.573 30.300 -0.029 0.000 0.861 336 R HN 0.494 nan 8.270 nan 0.000 0.442 337 R N -1.936 118.563 120.500 -0.001 0.000 2.564 337 R HA 0.307 4.652 4.340 0.008 0.000 0.284 337 R C -0.146 176.208 176.300 0.090 0.000 1.031 337 R CA 0.004 56.126 56.100 0.036 0.000 0.904 337 R CB 1.881 32.204 30.300 0.039 0.000 1.199 337 R HN 0.081 nan 8.270 nan 0.000 0.443 338 A N 2.781 125.686 122.820 0.141 0.000 1.968 338 A HA -0.050 4.275 4.320 0.008 0.000 0.217 338 A C -0.021 177.775 177.584 0.354 0.000 1.169 338 A CA 0.935 53.106 52.037 0.223 0.000 0.638 338 A CB 0.092 19.240 19.000 0.246 0.000 0.812 338 A HN 0.645 nan 8.150 nan 0.000 0.446 339 W N 0.033 121.429 121.300 0.160 0.000 2.538 339 W HA 0.571 5.236 4.660 0.008 0.000 0.322 339 W C -1.898 174.631 176.519 0.016 0.000 1.028 339 W CA -1.643 55.730 57.345 0.047 0.000 1.228 339 W CB 1.338 30.769 29.460 -0.049 0.000 1.356 339 W HN -0.103 nan 8.180 nan 0.000 0.452 340 V N 7.561 127.717 119.914 0.403 0.000 2.577 340 V HA 0.704 4.829 4.120 0.008 0.000 0.303 340 V C 0.804 177.016 176.094 0.197 0.000 1.042 340 V CA 0.112 62.507 62.300 0.158 0.000 0.872 340 V CB 0.958 32.837 31.823 0.095 0.000 0.998 340 V HN 1.033 nan 8.190 nan 0.000 0.423 341 G N 4.986 113.830 108.800 0.073 0.000 2.629 341 G HA2 -0.336 3.629 3.960 0.008 0.000 0.313 341 G HA3 -0.336 3.629 3.960 0.008 0.000 0.313 341 G C 0.494 175.554 174.900 0.267 0.000 1.217 341 G CA 0.795 45.954 45.100 0.099 0.000 0.994 341 G HN 1.272 nan 8.290 nan 0.000 0.549 342 N N 0.383 119.216 118.700 0.223 0.000 2.321 342 N HA 0.312 5.057 4.740 0.008 0.000 0.242 342 N C -0.152 175.479 175.510 0.202 0.000 1.141 342 N CA 0.624 53.827 53.050 0.255 0.000 0.864 342 N CB 0.044 38.667 38.487 0.227 0.000 1.100 342 N HN 0.877 nan 8.380 nan 0.000 0.510 343 C N 1.112 120.518 119.300 0.177 0.000 2.322 343 C HA 0.650 5.115 4.460 0.008 0.000 0.324 343 C C -0.624 174.354 174.990 -0.021 0.000 1.249 343 C CA -0.390 58.671 59.018 0.071 0.000 1.453 343 C CB -0.175 27.597 27.740 0.054 0.000 2.145 343 C HN 0.192 nan 8.230 nan 0.000 0.466 344 V N 6.730 126.498 119.914 -0.244 0.000 2.417 344 V HA 0.544 4.668 4.120 0.008 0.000 0.291 344 V C 0.376 176.393 176.094 -0.129 0.000 1.024 344 V CA -0.219 61.870 62.300 -0.352 0.000 0.861 344 V CB 1.736 33.095 31.823 -0.774 0.000 0.985 344 V HN 0.966 nan 8.190 nan 0.000 0.436 345 S N 6.082 121.783 115.700 0.002 0.000 2.480 345 S HA 0.763 5.238 4.470 0.008 0.000 0.286 345 S C -0.713 173.906 174.600 0.031 0.000 1.180 345 S CA -0.636 57.575 58.200 0.018 0.000 1.075 345 S CB 1.125 64.358 63.200 0.055 0.000 0.996 345 S HN 0.452 nan 8.310 nan 0.000 0.487 346 I N 2.465 123.027 120.570 -0.013 0.000 2.533 346 I HA 0.727 4.901 4.170 0.008 0.000 0.290 346 I C 0.926 177.022 176.117 -0.035 0.000 1.056 346 I CA 0.341 61.630 61.300 -0.018 0.000 1.057 346 I CB 0.817 38.786 38.000 -0.051 0.000 1.240 346 I HN 1.156 nan 8.210 nan 0.000 0.423 347 G N 4.794 113.584 108.800 -0.016 0.000 2.482 347 G HA2 -0.242 3.723 3.960 0.008 0.000 0.214 347 G HA3 -0.242 3.723 3.960 0.008 0.000 0.214 347 G C 0.598 175.505 174.900 0.012 0.000 1.271 347 G CA 0.109 45.202 45.100 -0.011 0.000 0.944 347 G HN 0.775 nan 8.290 nan 0.000 0.568 348 T N -1.261 113.253 114.554 -0.068 0.000 3.113 348 T HA 0.142 4.497 4.350 0.008 0.000 0.263 348 T C 2.491 177.139 174.700 -0.086 0.000 1.143 348 T CA 2.168 64.196 62.100 -0.120 0.000 1.090 348 T CB -0.383 68.078 68.868 -0.677 0.000 0.922 348 T HN 1.870 nan 8.240 nan 0.000 0.521 349 S N 0.885 116.543 115.700 -0.071 0.000 2.453 349 S HA -0.023 4.452 4.470 0.008 0.000 0.231 349 S C 2.172 176.814 174.600 0.069 0.000 1.005 349 S CA 0.833 59.024 58.200 -0.015 0.000 0.949 349 S CB -0.421 62.760 63.200 -0.031 0.000 0.774 349 S HN 0.529 nan 8.310 nan 0.000 0.510 350 S N 0.395 116.135 115.700 0.066 0.000 2.398 350 S HA 0.237 4.712 4.470 0.008 0.000 0.220 350 S C 0.777 175.415 174.600 0.064 0.000 1.046 350 S CA 0.573 58.813 58.200 0.066 0.000 0.953 350 S CB -0.382 62.830 63.200 0.019 0.000 0.856 350 S HN 1.008 nan 8.310 nan 0.000 0.506 351 C N -0.971 118.371 119.300 0.070 0.000 3.312 351 C HA 0.865 5.329 4.460 0.008 0.000 0.332 351 C C -1.340 173.862 174.990 0.353 0.000 1.340 351 C CA -1.563 57.453 59.018 -0.004 0.000 1.265 351 C CB 0.405 27.768 27.740 -0.628 0.000 1.563 351 C HN 0.489 nan 8.230 nan 0.000 0.471 352 F N 0.596 120.741 119.950 0.324 0.000 2.650 352 F HA 0.737 5.269 4.527 0.008 0.000 0.310 352 F C -1.421 174.758 175.800 0.633 0.000 1.112 352 F CA -0.498 57.808 58.000 0.509 0.000 0.986 352 F CB 1.559 40.860 39.000 0.501 0.000 1.285 352 F HN 0.970 nan 8.300 nan 0.000 0.440 353 V N 5.381 125.033 119.914 -0.437 0.000 3.012 353 V HA 0.392 4.517 4.120 0.008 0.000 0.307 353 V C -1.163 174.429 176.094 -0.836 0.000 1.166 353 V CA -0.618 61.522 62.300 -0.267 0.000 0.974 353 V CB 2.099 33.962 31.823 0.066 0.000 1.040 353 V HN 0.873 nan 8.190 nan 0.000 0.428 354 E N 7.053 127.077 120.200 -0.294 0.000 2.534 354 E HA 0.046 4.401 4.350 0.008 0.000 0.264 354 E C -2.016 174.625 176.600 0.068 0.000 0.981 354 E CA -0.854 55.558 56.400 0.020 0.000 0.948 354 E CB 0.319 30.334 29.700 0.525 0.000 0.934 354 E HN 0.562 nan 8.360 nan 0.000 0.459 355 P HA -0.066 nan 4.420 nan 0.000 0.285 355 P C 0.717 178.213 177.300 0.328 0.000 1.521 355 P CA 0.030 63.226 63.100 0.161 0.000 0.792 355 P CB -0.032 31.675 31.700 0.011 0.000 1.613 356 L N 0.251 121.615 121.223 0.234 0.000 2.275 356 L HA -0.029 4.316 4.340 0.008 0.000 0.215 356 L C 1.354 178.104 176.870 -0.200 0.000 1.119 356 L CA 1.904 56.574 54.840 -0.284 0.000 0.790 356 L CB -0.468 41.249 42.059 -0.570 0.000 0.919 356 L HN -0.099 nan 8.230 nan 0.000 0.443 357 E N -0.888 119.285 120.200 -0.044 0.000 2.887 357 E HA 0.225 4.580 4.350 0.008 0.000 0.206 357 E C 0.063 176.776 176.600 0.189 0.000 0.983 357 E CA 0.237 56.701 56.400 0.106 0.000 1.141 357 E CB 0.315 30.131 29.700 0.193 0.000 1.061 357 E HN 0.246 nan 8.360 nan 0.000 0.468 358 S N 0.484 116.244 115.700 0.101 0.000 3.550 358 S HA -0.174 4.301 4.470 0.008 0.000 0.372 358 S C 1.085 175.734 174.600 0.081 0.000 0.966 358 S CA 1.226 59.480 58.200 0.090 0.000 1.229 358 S CB -1.825 61.468 63.200 0.154 0.000 0.917 358 S HN 0.510 nan 8.310 nan 0.000 0.496 359 T N -3.131 111.393 114.554 -0.050 0.000 3.054 359 T HA 0.382 4.737 4.350 0.008 0.000 0.255 359 T C 1.932 176.333 174.700 -0.498 0.000 1.035 359 T CA 0.576 62.526 62.100 -0.250 0.000 0.941 359 T CB 0.314 68.887 68.868 -0.492 0.000 1.026 359 T HN 0.556 nan 8.240 nan 0.000 0.533 360 G N 2.665 111.301 108.800 -0.273 0.000 2.545 360 G HA2 -0.150 3.815 3.960 0.008 0.000 0.217 360 G HA3 -0.150 3.815 3.960 0.008 0.000 0.217 360 G C 1.349 176.199 174.900 -0.083 0.000 1.218 360 G CA 1.048 46.057 45.100 -0.152 0.000 0.787 360 G HN 0.549 nan 8.290 nan 0.000 0.571 361 I N -0.632 119.911 120.570 -0.045 0.000 2.439 361 I HA -0.086 4.089 4.170 0.008 0.000 0.251 361 I C 2.451 178.407 176.117 -0.269 0.000 1.139 361 I CA 0.843 62.112 61.300 -0.051 0.000 1.438 361 I CB -0.226 37.830 38.000 0.094 0.000 1.085 361 I HN 0.269 nan 8.210 nan 0.000 0.427 362 Y N 1.576 121.623 120.300 -0.421 0.000 2.165 362 Y HA -0.301 4.254 4.550 0.008 0.000 0.286 362 Y C 2.208 177.764 175.900 -0.574 0.000 1.155 362 Y CA 1.494 59.089 58.100 -0.841 0.000 1.164 362 Y CB -0.494 37.753 38.460 -0.355 0.000 0.978 362 Y HN 0.007 nan 8.280 nan 0.000 0.513 363 F N -0.567 119.091 119.950 -0.486 0.000 2.202 363 F HA -0.210 4.322 4.527 0.008 0.000 0.301 363 F C 2.441 177.991 175.800 -0.416 0.000 1.082 363 F CA 1.049 58.799 58.000 -0.417 0.000 1.313 363 F CB -1.312 37.629 39.000 -0.098 0.000 1.024 363 F HN -0.001 nan 8.300 nan 0.000 0.495 364 V N -0.319 119.466 119.914 -0.215 0.000 2.283 364 V HA -0.287 3.838 4.120 0.008 0.000 0.243 364 V C 2.242 178.159 176.094 -0.295 0.000 1.039 364 V CA 2.028 64.200 62.300 -0.214 0.000 1.016 364 V CB -1.171 30.543 31.823 -0.182 0.000 0.650 364 V HN 0.417 nan 8.190 nan 0.000 0.449 365 Y N 0.921 121.014 120.300 -0.345 0.000 2.373 365 Y HA 0.269 4.825 4.550 0.009 0.000 0.293 365 Y C 2.308 177.936 175.900 -0.453 0.000 1.129 365 Y CA 0.706 58.539 58.100 -0.445 0.000 1.226 365 Y CB -1.286 36.944 38.460 -0.385 0.000 1.000 365 Y HN 0.066 nan 8.280 nan 0.000 0.549 366 A N 1.581 124.111 122.820 -0.483 0.000 1.902 366 A HA -0.025 4.300 4.320 0.008 0.000 0.217 366 A C 2.511 180.013 177.584 -0.136 0.000 1.181 366 A CA 2.024 53.936 52.037 -0.210 0.000 0.623 366 A CB -1.342 17.331 19.000 -0.545 0.000 0.818 366 A HN 0.609 nan 8.150 nan 0.000 0.443 367 A N -0.397 122.312 122.820 -0.184 0.000 1.898 367 A HA 0.020 4.345 4.320 0.008 0.000 0.216 367 A C 2.154 179.756 177.584 0.030 0.000 1.181 367 A CA 1.383 53.383 52.037 -0.061 0.000 0.620 367 A CB -0.566 18.412 19.000 -0.038 0.000 0.819 367 A HN 0.459 nan 8.150 nan 0.000 0.442 368 L N -2.032 119.090 121.223 -0.168 0.000 2.083 368 L HA -0.187 4.158 4.340 0.008 0.000 0.209 368 L C 2.571 179.235 176.870 -0.343 0.000 1.083 368 L CA 1.700 56.358 54.840 -0.304 0.000 0.752 368 L CB -0.594 41.100 42.059 -0.609 0.000 0.899 368 L HN 0.627 nan 8.230 nan 0.000 0.433 369 Y N 0.594 120.593 120.300 -0.502 0.000 2.181 369 Y HA -0.272 4.283 4.550 0.008 0.000 0.288 369 Y C 2.748 178.642 175.900 -0.009 0.000 1.146 369 Y CA 1.511 59.442 58.100 -0.282 0.000 1.164 369 Y CB -0.038 38.237 38.460 -0.308 0.000 0.982 369 Y HN 0.137 nan 8.280 nan 0.000 0.515 370 Q N -0.025 119.874 119.800 0.165 0.000 2.119 370 Q HA -0.154 4.191 4.340 0.008 0.000 0.201 370 Q C 2.337 178.635 176.000 0.496 0.000 0.972 370 Q CA 1.417 57.389 55.803 0.282 0.000 0.847 370 Q CB -0.821 27.975 28.738 0.096 0.000 0.903 370 Q HN 0.550 nan 8.270 nan 0.000 0.433 371 L N 0.176 121.638 121.223 0.397 0.000 2.017 371 L HA -0.127 4.217 4.340 0.008 0.000 0.208 371 L C 2.154 179.154 176.870 0.217 0.000 1.073 371 L CA 1.492 56.411 54.840 0.131 0.000 0.745 371 L CB -0.732 41.266 42.059 -0.102 0.000 0.894 371 L HN -0.047 nan 8.230 nan 0.000 0.432 372 V N -0.014 119.984 119.914 0.141 0.000 2.427 372 V HA -0.276 3.849 4.120 0.008 0.000 0.248 372 V C 2.656 178.785 176.094 0.059 0.000 1.051 372 V CA 1.998 64.353 62.300 0.093 0.000 1.048 372 V CB -0.761 31.058 31.823 -0.007 0.000 0.666 372 V HN 0.555 nan 8.190 nan 0.000 0.456 373 K N -0.131 120.243 120.400 -0.043 0.000 2.097 373 K HA -0.175 4.150 4.320 0.008 0.000 0.205 373 K C 1.482 178.037 176.600 -0.076 0.000 1.050 373 K CA 1.613 57.821 56.287 -0.133 0.000 0.938 373 K CB -0.085 32.264 32.500 -0.251 0.000 0.718 373 K HN 0.592 nan 8.250 nan 0.000 0.442 374 H N -1.104 118.070 119.070 0.173 0.000 2.507 374 H HA 0.152 4.713 4.556 0.008 0.000 0.294 374 H C -0.881 174.606 175.328 0.265 0.000 1.064 374 H CA -0.587 55.602 56.048 0.235 0.000 1.138 374 H CB -0.282 29.690 29.762 0.350 0.000 1.515 374 H HN 0.025 nan 8.280 nan 0.000 0.547 375 F N 4.219 124.255 119.950 0.143 0.000 2.608 375 F HA 0.081 4.613 4.527 0.009 0.000 0.380 375 F C -1.684 174.195 175.800 0.131 0.000 1.083 375 F CA -1.818 56.234 58.000 0.086 0.000 1.266 375 F CB 0.634 39.638 39.000 0.007 0.000 1.076 375 F HN 0.160 nan 8.300 nan 0.000 0.574 376 P HA 0.314 nan 4.420 nan 0.000 0.304 376 P C -1.654 175.578 177.300 -0.114 0.000 1.310 376 P CA -0.459 62.580 63.100 -0.103 0.000 0.796 376 P CB 1.645 33.347 31.700 0.004 0.000 1.297 377 D N -2.061 118.324 120.400 -0.024 0.000 2.553 377 D HA 0.202 4.847 4.640 0.008 0.000 0.249 377 D C 0.701 176.999 176.300 -0.004 0.000 1.062 377 D CA -0.769 53.237 54.000 0.010 0.000 1.085 377 D CB 0.605 41.428 40.800 0.039 0.000 1.350 377 D HN 0.143 nan 8.370 nan 0.000 0.575 378 K N -0.604 119.803 120.400 0.011 0.000 2.442 378 K HA -0.079 4.246 4.320 0.008 0.000 0.199 378 K C 1.594 178.204 176.600 0.018 0.000 1.044 378 K CA 1.276 57.572 56.287 0.015 0.000 0.941 378 K CB -0.220 32.292 32.500 0.021 0.000 0.759 378 K HN 0.515 nan 8.250 nan 0.000 0.472 379 S N 0.436 116.144 115.700 0.013 0.000 2.489 379 S HA -0.027 4.447 4.470 0.008 0.000 0.228 379 S C 0.625 175.227 174.600 0.002 0.000 0.995 379 S CA -0.094 58.111 58.200 0.009 0.000 0.934 379 S CB -0.184 63.020 63.200 0.005 0.000 0.771 379 S HN 0.200 nan 8.310 nan 0.000 0.522 380 L N 2.288 123.516 121.223 0.008 0.000 3.746 380 L HA -0.119 4.225 4.340 0.008 0.000 0.542 380 L C 0.121 176.958 176.870 -0.056 0.000 1.268 380 L CA -0.097 54.745 54.840 0.004 0.000 0.818 380 L CB -2.853 39.222 42.059 0.027 0.000 1.472 380 L HN 0.549 nan 8.230 nan 0.000 0.843 381 N N 2.174 120.845 118.700 -0.049 0.000 2.386 381 N HA -0.015 4.730 4.740 0.008 0.000 0.273 381 N C -1.052 174.378 175.510 -0.133 0.000 1.331 381 N CA -0.734 52.278 53.050 -0.064 0.000 0.891 381 N CB 0.965 39.434 38.487 -0.032 0.000 1.139 381 N HN 0.211 nan 8.380 nan 0.000 0.487 382 P HA -0.158 nan 4.420 nan 0.000 0.217 382 P C 1.362 178.560 177.300 -0.169 0.000 1.148 382 P CA 0.737 63.735 63.100 -0.171 0.000 0.828 382 P CB 0.358 31.992 31.700 -0.110 0.000 0.783 383 V N -0.887 118.966 119.914 -0.102 0.000 2.515 383 V HA -0.204 3.921 4.120 0.008 0.000 0.250 383 V C 2.340 178.408 176.094 -0.044 0.000 1.058 383 V CA 1.518 63.784 62.300 -0.057 0.000 1.064 383 V CB -1.104 30.710 31.823 -0.016 0.000 0.675 383 V HN 0.104 nan 8.190 nan 0.000 0.461 384 L N -0.497 120.684 121.223 -0.070 0.000 2.109 384 L HA -0.119 4.226 4.340 0.008 0.000 0.207 384 L C 2.612 179.377 176.870 -0.175 0.000 1.086 384 L CA 1.709 56.558 54.840 0.014 0.000 0.760 384 L CB -1.049 41.038 42.059 0.047 0.000 0.910 384 L HN 0.315 nan 8.230 nan 0.000 0.437 385 T N 0.129 114.322 114.554 -0.602 0.000 2.737 385 T HA -0.142 4.213 4.350 0.008 0.000 0.265 385 T C 2.067 176.562 174.700 -0.342 0.000 1.038 385 T CA 1.349 62.851 62.100 -0.997 0.000 1.144 385 T CB -0.225 67.891 68.868 -1.254 0.000 0.866 385 T HN 0.423 nan 8.240 nan 0.000 0.434 386 A N 1.955 124.640 122.820 -0.224 0.000 1.902 386 A HA -0.121 4.204 4.320 0.008 0.000 0.217 386 A C 2.416 179.974 177.584 -0.043 0.000 1.181 386 A CA 1.134 53.109 52.037 -0.102 0.000 0.623 386 A CB -0.344 18.608 19.000 -0.079 0.000 0.818 386 A HN 0.184 nan 8.150 nan 0.000 0.443 387 R N -1.416 119.077 120.500 -0.012 0.000 2.075 387 R HA -0.078 4.267 4.340 0.008 0.000 0.232 387 R C 1.937 178.143 176.300 -0.157 0.000 1.126 387 R CA 1.409 57.520 56.100 0.017 0.000 0.963 387 R CB -1.344 29.084 30.300 0.214 0.000 0.858 387 R HN 0.642 nan 8.270 nan 0.000 0.435 388 F N 2.803 122.498 119.950 -0.426 0.000 2.069 388 F HA -0.237 4.295 4.527 0.008 0.000 0.298 388 F C 1.853 177.570 175.800 -0.138 0.000 1.113 388 F CA 1.628 59.370 58.000 -0.431 0.000 1.214 388 F CB -0.430 38.550 39.000 -0.033 0.000 0.978 388 F HN -0.018 nan 8.300 nan 0.000 0.474 389 N N 0.540 119.268 118.700 0.046 0.000 2.137 389 N HA -0.219 4.526 4.740 0.008 0.000 0.190 389 N C 2.092 177.532 175.510 -0.117 0.000 1.017 389 N CA 1.195 54.231 53.050 -0.024 0.000 0.859 389 N CB -0.572 37.946 38.487 0.051 0.000 1.002 389 N HN 0.344 nan 8.380 nan 0.000 0.428 390 R N 1.057 121.504 120.500 -0.089 0.000 2.090 390 R HA -0.033 4.312 4.340 0.008 0.000 0.228 390 R C 1.245 177.517 176.300 -0.048 0.000 1.110 390 R CA 0.855 56.926 56.100 -0.049 0.000 0.973 390 R CB 0.158 30.451 30.300 -0.010 0.000 0.869 390 R HN 0.217 nan 8.270 nan 0.000 0.440 391 E N 0.667 120.811 120.200 -0.094 0.000 2.072 391 E HA -0.143 4.212 4.350 0.008 0.000 0.191 391 E C 2.035 178.641 176.600 0.009 0.000 0.985 391 E CA 0.720 57.138 56.400 0.029 0.000 0.801 391 E CB -0.124 29.556 29.700 -0.032 0.000 0.750 391 E HN 0.264 nan 8.360 nan 0.000 0.452 392 I N 1.528 121.948 120.570 -0.250 0.000 2.179 392 I HA -0.231 3.944 4.170 0.008 0.000 0.242 392 I C 2.563 178.609 176.117 -0.118 0.000 1.088 392 I CA 1.171 62.320 61.300 -0.252 0.000 1.357 392 I CB -1.269 36.484 38.000 -0.411 0.000 1.051 392 I HN 0.255 nan 8.210 nan 0.000 0.409 393 E N 1.204 121.351 120.200 -0.088 0.000 2.118 393 E HA -0.259 4.096 4.350 0.008 0.000 0.195 393 E C 2.009 178.629 176.600 0.035 0.000 0.992 393 E CA 2.441 58.832 56.400 -0.015 0.000 0.804 393 E CB -0.045 29.641 29.700 -0.025 0.000 0.741 393 E HN 0.583 nan 8.360 nan 0.000 0.458 394 T N -1.183 113.377 114.554 0.009 0.000 2.978 394 T HA -0.071 4.284 4.350 0.008 0.000 0.262 394 T C 2.051 176.738 174.700 -0.023 0.000 1.063 394 T CA 0.866 62.969 62.100 0.005 0.000 1.140 394 T CB -0.269 68.595 68.868 -0.007 0.000 0.886 394 T HN 0.219 nan 8.240 nan 0.000 0.470 395 M N -0.162 119.400 119.600 -0.064 0.000 2.080 395 M HA -0.015 4.470 4.480 0.008 0.000 0.260 395 M C 2.011 178.311 176.300 0.001 0.000 1.068 395 M CA 1.855 57.081 55.300 -0.123 0.000 1.109 395 M CB -0.364 32.194 32.600 -0.070 0.000 1.342 395 M HN 0.304 nan 8.290 nan 0.000 0.405 396 F N 1.309 121.142 119.950 -0.196 0.000 2.098 396 F HA -0.171 4.361 4.527 0.008 0.000 0.294 396 F C 1.778 177.606 175.800 0.048 0.000 1.107 396 F CA 1.927 59.824 58.000 -0.172 0.000 1.234 396 F CB -0.495 38.342 39.000 -0.272 0.000 1.002 396 F HN 0.213 nan 8.300 nan 0.000 0.472 397 D N 0.392 120.818 120.400 0.044 0.000 2.149 397 D HA -0.183 4.462 4.640 0.008 0.000 0.198 397 D C 1.838 178.114 176.300 -0.040 0.000 0.990 397 D CA 1.532 55.515 54.000 -0.030 0.000 0.839 397 D CB -0.557 40.271 40.800 0.046 0.000 0.948 397 D HN 0.331 nan 8.370 nan 0.000 0.460 398 D N -0.201 120.240 120.400 0.068 0.000 2.117 398 D HA -0.084 4.561 4.640 0.008 0.000 0.197 398 D C 1.989 178.453 176.300 0.274 0.000 0.987 398 D CA 1.084 55.199 54.000 0.192 0.000 0.829 398 D CB -0.391 40.584 40.800 0.291 0.000 0.961 398 D HN 0.157 nan 8.370 nan 0.000 0.460 399 T N 0.614 115.393 114.554 0.375 0.000 2.737 399 T HA -0.141 4.214 4.350 0.008 0.000 0.265 399 T C 1.903 176.634 174.700 0.051 0.000 1.038 399 T CA 0.884 63.262 62.100 0.464 0.000 1.144 399 T CB 0.011 69.299 68.868 0.700 0.000 0.866 399 T HN 0.146 nan 8.240 nan 0.000 0.434 400 R N 1.059 121.441 120.500 -0.197 0.000 2.103 400 R HA -0.184 4.160 4.340 0.008 0.000 0.242 400 R C 1.711 177.951 176.300 -0.100 0.000 1.142 400 R CA 2.139 58.093 56.100 -0.243 0.000 0.960 400 R CB -0.382 29.683 30.300 -0.392 0.000 0.858 400 R HN 0.284 nan 8.270 nan 0.000 0.439 401 D N -0.133 120.217 120.400 -0.084 0.000 2.097 401 D HA -0.158 4.487 4.640 0.008 0.000 0.197 401 D C 1.565 177.885 176.300 0.033 0.000 0.984 401 D CA 1.025 54.998 54.000 -0.044 0.000 0.826 401 D CB -0.464 40.322 40.800 -0.023 0.000 0.973 401 D HN 0.182 nan 8.370 nan 0.000 0.460 402 F N 1.376 121.214 119.950 -0.188 0.000 2.095 402 F HA -0.132 4.400 4.527 0.009 0.000 0.298 402 F C 2.126 177.823 175.800 -0.171 0.000 1.104 402 F CA 1.034 58.840 58.000 -0.322 0.000 1.232 402 F CB -0.502 37.926 39.000 -0.954 0.000 0.987 402 F HN -0.101 nan 8.300 nan 0.000 0.475 403 I N 0.085 120.485 120.570 -0.285 0.000 2.179 403 I HA -0.342 3.833 4.170 0.008 0.000 0.242 403 I C 2.584 178.659 176.117 -0.071 0.000 1.088 403 I CA 1.771 62.827 61.300 -0.406 0.000 1.357 403 I CB -0.678 37.190 38.000 -0.221 0.000 1.051 403 I HN 0.264 nan 8.210 nan 0.000 0.409 404 Q N 1.263 121.116 119.800 0.088 0.000 2.181 404 Q HA -0.255 4.090 4.340 0.008 0.000 0.205 404 Q C 2.198 178.322 176.000 0.207 0.000 0.980 404 Q CA 1.946 57.893 55.803 0.239 0.000 0.862 404 Q CB -0.133 28.694 28.738 0.149 0.000 0.905 404 Q HN 0.545 nan 8.270 nan 0.000 0.429 405 A N 0.016 122.893 122.820 0.094 0.000 1.972 405 A HA -0.211 4.114 4.320 0.008 0.000 0.219 405 A C 1.445 179.079 177.584 0.084 0.000 1.169 405 A CA 1.629 53.755 52.037 0.148 0.000 0.635 405 A CB -0.796 18.264 19.000 0.099 0.000 0.810 405 A HN 0.573 nan 8.150 nan 0.000 0.446 406 H N -1.563 117.294 119.070 -0.354 0.000 2.421 406 H HA -0.049 4.512 4.556 0.008 0.000 0.298 406 H C 1.467 176.683 175.328 -0.187 0.000 1.087 406 H CA 1.944 57.657 56.048 -0.559 0.000 1.330 406 H CB -0.301 28.837 29.762 -1.040 0.000 1.388 406 H HN 0.612 nan 8.280 nan 0.000 0.526 407 F N -1.974 118.199 119.950 0.371 0.000 2.317 407 F HA -0.002 4.530 4.527 0.009 0.000 0.290 407 F C 2.211 178.145 175.800 0.223 0.000 1.075 407 F CA 0.307 58.553 58.000 0.410 0.000 1.380 407 F CB -0.892 38.220 39.000 0.187 0.000 1.093 407 F HN 0.036 nan 8.300 nan 0.000 0.524 408 Y N -0.164 120.204 120.300 0.113 0.000 2.165 408 Y HA -0.245 4.310 4.550 0.008 0.000 0.286 408 Y C 1.444 177.111 175.900 -0.389 0.000 1.155 408 Y CA 1.640 59.601 58.100 -0.231 0.000 1.164 408 Y CB -0.544 37.624 38.460 -0.486 0.000 0.978 408 Y HN -0.019 nan 8.280 nan 0.000 0.513 409 F N -0.614 119.427 119.950 0.152 0.000 2.645 409 F HA 0.221 4.753 4.527 0.008 0.000 0.300 409 F C 1.077 176.874 175.800 -0.005 0.000 1.115 409 F CA -0.016 57.992 58.000 0.012 0.000 1.355 409 F CB -0.361 38.614 39.000 -0.043 0.000 1.026 409 F HN -0.205 nan 8.300 nan 0.000 0.536 410 S N 2.656 118.470 115.700 0.191 0.000 2.548 410 S HA 0.149 4.624 4.470 0.008 0.000 0.277 410 S C -0.960 173.672 174.600 0.054 0.000 1.315 410 S CA -1.257 57.043 58.200 0.167 0.000 1.050 410 S CB 0.892 64.267 63.200 0.291 0.000 0.918 410 S HN 0.023 nan 8.310 nan 0.000 0.497 411 P HA -0.028 nan 4.420 nan 0.000 0.225 411 P C -0.099 177.164 177.300 -0.061 0.000 1.156 411 P CA 0.322 63.409 63.100 -0.022 0.000 0.787 411 P CB 0.085 31.775 31.700 -0.017 0.000 0.802 412 R N 0.571 120.982 120.500 -0.148 0.000 2.638 412 R HA 0.114 4.459 4.340 0.008 0.000 0.268 412 R C 1.096 177.370 176.300 -0.043 0.000 1.006 412 R CA 1.341 57.319 56.100 -0.204 0.000 1.088 412 R CB -0.347 29.587 30.300 -0.611 0.000 0.950 412 R HN 0.201 nan 8.270 nan 0.000 0.419 413 T N -3.704 110.842 114.554 -0.012 0.000 3.253 413 T HA -0.020 4.335 4.350 0.008 0.000 0.299 413 T C 0.739 175.481 174.700 0.070 0.000 0.927 413 T CA -0.251 61.876 62.100 0.045 0.000 0.926 413 T CB 0.138 69.014 68.868 0.014 0.000 1.183 413 T HN 0.661 nan 8.240 nan 0.000 0.557 414 D N 2.468 122.905 120.400 0.063 0.000 2.264 414 D HA -0.053 4.592 4.640 0.008 0.000 0.208 414 D C 0.989 177.376 176.300 0.145 0.000 0.966 414 D CA 1.081 55.129 54.000 0.080 0.000 0.864 414 D CB -0.257 40.566 40.800 0.038 0.000 0.933 414 D HN 0.622 nan 8.370 nan 0.000 0.499 415 T N -4.457 110.242 114.554 0.242 0.000 2.901 415 T HA 0.429 4.784 4.350 0.008 0.000 0.293 415 T C -2.429 172.379 174.700 0.181 0.000 1.084 415 T CA -1.771 60.470 62.100 0.236 0.000 1.008 415 T CB 2.527 71.584 68.868 0.316 0.000 1.170 415 T HN -0.409 nan 8.240 nan 0.000 0.509 416 P HA -0.034 nan 4.420 nan 0.000 0.216 416 P C 1.222 178.420 177.300 -0.170 0.000 1.150 416 P CA 0.663 63.868 63.100 0.175 0.000 0.843 416 P CB -0.123 31.828 31.700 0.418 0.000 0.787 417 F N -0.826 118.786 119.950 -0.564 0.000 2.026 417 F HA -0.194 4.338 4.527 0.008 0.000 0.296 417 F C 1.901 177.283 175.800 -0.697 0.000 1.133 417 F CA 1.527 58.850 58.000 -1.129 0.000 1.188 417 F CB -1.246 37.246 39.000 -0.846 0.000 0.968 417 F HN -0.122 nan 8.300 nan 0.000 0.476 418 W N 0.813 121.896 121.300 -0.361 0.000 2.342 418 W HA -0.107 4.557 4.660 0.008 0.000 0.297 418 W C 2.621 178.952 176.519 -0.313 0.000 1.213 418 W CA 1.430 58.557 57.345 -0.363 0.000 1.251 418 W CB -0.448 28.975 29.460 -0.061 0.000 1.136 418 W HN -0.076 nan 8.180 nan 0.000 0.526 419 R N -0.166 120.315 120.500 -0.031 0.000 2.115 419 R HA -0.014 4.331 4.340 0.008 0.000 0.226 419 R C 2.312 178.538 176.300 -0.124 0.000 1.100 419 R CA 1.190 57.263 56.100 -0.045 0.000 0.980 419 R CB -0.779 29.526 30.300 0.009 0.000 0.875 419 R HN 0.149 nan 8.270 nan 0.000 0.445 420 A N 1.634 124.313 122.820 -0.234 0.000 1.969 420 A HA -0.130 4.195 4.320 0.008 0.000 0.218 420 A C 1.690 179.138 177.584 -0.227 0.000 1.169 420 A CA 1.109 53.032 52.037 -0.191 0.000 0.635 420 A CB -0.318 18.546 19.000 -0.228 0.000 0.810 420 A HN 0.232 nan 8.150 nan 0.000 0.445 421 N N 0.226 118.697 118.700 -0.382 0.000 2.223 421 N HA -0.119 4.626 4.740 0.008 0.000 0.185 421 N C 1.384 176.819 175.510 -0.125 0.000 1.016 421 N CA 1.300 54.190 53.050 -0.266 0.000 0.863 421 N CB -0.243 38.053 38.487 -0.318 0.000 0.983 421 N HN 0.566 nan 8.380 nan 0.000 0.429 422 K N 0.626 120.902 120.400 -0.207 0.000 2.365 422 K HA 0.008 4.333 4.320 0.008 0.000 0.199 422 K C 0.935 177.433 176.600 -0.169 0.000 1.045 422 K CA 0.603 56.685 56.287 -0.342 0.000 0.962 422 K CB 0.259 32.578 32.500 -0.300 0.000 0.759 422 K HN 0.069 nan 8.250 nan 0.000 0.469 423 E N 0.394 120.558 120.200 -0.061 0.000 2.474 423 E HA 0.107 4.461 4.350 0.008 0.000 0.195 423 E C 0.473 177.103 176.600 0.050 0.000 1.039 423 E CA 0.136 56.537 56.400 0.001 0.000 0.881 423 E CB 0.254 29.954 29.700 -0.000 0.000 0.970 423 E HN 0.259 nan 8.360 nan 0.000 0.486 424 L N 1.275 122.548 121.223 0.083 0.000 2.479 424 L HA 0.306 4.651 4.340 0.008 0.000 0.249 424 L C 0.883 177.827 176.870 0.124 0.000 1.178 424 L CA -0.472 54.411 54.840 0.072 0.000 0.811 424 L CB 0.518 42.613 42.059 0.059 0.000 1.187 424 L HN -0.069 nan 8.230 nan 0.000 0.480 425 R N 0.741 121.256 120.500 0.025 0.000 2.637 425 R HA 0.643 4.988 4.340 0.008 0.000 0.291 425 R C -1.357 174.932 176.300 -0.019 0.000 0.963 425 R CA -0.865 55.236 56.100 0.001 0.000 0.901 425 R CB 1.102 31.408 30.300 0.010 0.000 1.160 425 R HN 0.426 nan 8.270 nan 0.000 0.457 426 L N 2.317 123.441 121.223 -0.165 0.000 2.436 426 L HA 0.414 4.759 4.340 0.008 0.000 0.265 426 L C 0.763 177.645 176.870 0.020 0.000 1.168 426 L CA -0.711 54.047 54.840 -0.138 0.000 0.815 426 L CB 1.134 43.005 42.059 -0.314 0.000 1.109 426 L HN 0.865 nan 8.230 nan 0.000 0.462 427 A N 1.196 124.024 122.820 0.013 0.000 2.386 427 A HA 0.068 4.393 4.320 0.008 0.000 0.248 427 A C 0.867 178.444 177.584 -0.011 0.000 1.082 427 A CA -0.445 51.603 52.037 0.017 0.000 0.789 427 A CB 0.168 19.095 19.000 -0.121 0.000 1.025 427 A HN 0.877 nan 8.150 nan 0.000 0.490 428 D N 2.107 122.511 120.400 0.007 0.000 2.157 428 D HA -0.197 4.448 4.640 0.008 0.000 0.191 428 D C 2.010 178.302 176.300 -0.014 0.000 1.004 428 D CA 2.200 56.200 54.000 -0.001 0.000 0.854 428 D CB -0.580 40.224 40.800 0.007 0.000 0.936 428 D HN 0.729 nan 8.370 nan 0.000 0.446 429 G N 0.440 109.229 108.800 -0.018 0.000 2.418 429 G HA2 -0.281 3.684 3.960 0.008 0.000 0.217 429 G HA3 -0.281 3.684 3.960 0.008 0.000 0.217 429 G C 1.582 176.461 174.900 -0.035 0.000 1.158 429 G CA 1.078 46.165 45.100 -0.021 0.000 0.771 429 G HN 0.171 nan 8.290 nan 0.000 0.545 430 M N 0.120 119.695 119.600 -0.041 0.000 2.175 430 M HA 0.043 4.528 4.480 0.008 0.000 0.264 430 M C 2.428 178.697 176.300 -0.052 0.000 1.063 430 M CA 1.598 56.871 55.300 -0.046 0.000 1.119 430 M CB -0.407 32.163 32.600 -0.049 0.000 1.377 430 M HN 0.272 nan 8.290 nan 0.000 0.415 431 Q N 0.380 120.154 119.800 -0.043 0.000 2.124 431 Q HA -0.185 4.160 4.340 0.008 0.000 0.202 431 Q C 1.969 177.953 176.000 -0.026 0.000 0.977 431 Q CA 2.138 57.926 55.803 -0.026 0.000 0.850 431 Q CB -0.365 28.363 28.738 -0.017 0.000 0.901 431 Q HN 0.692 nan 8.270 nan 0.000 0.429 432 E N -0.280 119.899 120.200 -0.035 0.000 2.051 432 E HA -0.188 4.167 4.350 0.008 0.000 0.192 432 E C 1.793 178.352 176.600 -0.068 0.000 0.991 432 E CA 1.048 57.425 56.400 -0.039 0.000 0.799 432 E CB 0.066 29.747 29.700 -0.033 0.000 0.748 432 E HN 0.333 nan 8.360 nan 0.000 0.449 433 K N 0.326 120.662 120.400 -0.105 0.000 2.063 433 K HA -0.151 4.174 4.320 0.008 0.000 0.208 433 K C 2.162 178.649 176.600 -0.188 0.000 1.048 433 K CA 1.016 57.188 56.287 -0.192 0.000 0.928 433 K CB -0.070 32.245 32.500 -0.308 0.000 0.713 433 K HN 0.175 nan 8.250 nan 0.000 0.442 434 I N 2.047 122.532 120.570 -0.142 0.000 2.226 434 I HA -0.251 3.924 4.170 0.008 0.000 0.245 434 I C 1.690 177.777 176.117 -0.049 0.000 1.100 434 I CA 1.576 62.803 61.300 -0.122 0.000 1.374 434 I CB -1.062 36.923 38.000 -0.025 0.000 1.057 434 I HN 0.169 nan 8.210 nan 0.000 0.413 435 D N 0.546 120.925 120.400 -0.035 0.000 2.104 435 D HA -0.195 4.450 4.640 0.008 0.000 0.194 435 D C 2.366 178.639 176.300 -0.046 0.000 0.994 435 D CA 1.259 55.242 54.000 -0.028 0.000 0.830 435 D CB -0.213 40.575 40.800 -0.020 0.000 0.959 435 D HN 0.279 nan 8.370 nan 0.000 0.452 436 M N -0.636 118.932 119.600 -0.053 0.000 2.080 436 M HA -0.213 4.272 4.480 0.008 0.000 0.260 436 M C 2.224 178.482 176.300 -0.069 0.000 1.068 436 M CA 1.333 56.599 55.300 -0.056 0.000 1.109 436 M CB -0.433 32.132 32.600 -0.058 0.000 1.342 436 M HN 0.066 nan 8.290 nan 0.000 0.405 437 Y N 1.102 121.264 120.300 -0.230 0.000 2.128 437 Y HA -0.246 4.308 4.550 0.008 0.000 0.284 437 Y C 2.298 178.012 175.900 -0.310 0.000 1.154 437 Y CA 1.785 59.700 58.100 -0.308 0.000 1.149 437 Y CB -0.217 37.987 38.460 -0.426 0.000 0.976 437 Y HN 0.061 nan 8.280 nan 0.000 0.505 438 R N -0.149 120.227 120.500 -0.206 0.000 2.241 438 R HA -0.053 4.292 4.340 0.008 0.000 0.224 438 R C 1.917 178.067 176.300 -0.251 0.000 1.101 438 R CA 0.766 56.706 56.100 -0.268 0.000 0.995 438 R CB -0.367 29.867 30.300 -0.110 0.000 0.870 438 R HN 0.415 nan 8.270 nan 0.000 0.463 439 A N -0.092 122.608 122.820 -0.199 0.000 2.307 439 A HA 0.277 4.602 4.320 0.008 0.000 0.218 439 A C 1.348 178.824 177.584 -0.179 0.000 1.228 439 A CA 0.614 52.562 52.037 -0.149 0.000 0.857 439 A CB 0.123 19.069 19.000 -0.091 0.000 0.897 439 A HN 0.400 nan 8.150 nan 0.000 0.495 440 G N -1.342 107.281 108.800 -0.296 0.000 2.176 440 G HA2 -0.260 3.705 3.960 0.008 0.000 0.253 440 G HA3 -0.260 3.705 3.960 0.008 0.000 0.253 440 G C 0.272 175.003 174.900 -0.282 0.000 0.979 440 G CA 0.441 45.341 45.100 -0.332 0.000 0.641 440 G HN 0.404 nan 8.290 nan 0.000 0.530 441 M N 0.900 120.416 119.600 -0.141 0.000 2.228 441 M HA 0.561 5.046 4.480 0.008 0.000 0.326 441 M C 0.997 177.379 176.300 0.136 0.000 1.122 441 M CA 0.318 55.638 55.300 0.033 0.000 1.161 441 M CB 1.100 33.709 32.600 0.015 0.000 1.437 441 M HN 0.425 nan 8.290 nan 0.000 0.465 442 A N 2.624 125.627 122.820 0.306 0.000 2.271 442 A HA 0.740 5.065 4.320 0.008 0.000 0.288 442 A C -0.479 177.206 177.584 0.168 0.000 1.094 442 A CA -0.554 51.694 52.037 0.352 0.000 0.828 442 A CB 0.399 19.568 19.000 0.281 0.000 1.091 442 A HN 0.812 nan 8.150 nan 0.000 0.493 443 I N 1.220 121.878 120.570 0.146 0.000 2.418 443 I HA 0.228 4.403 4.170 0.008 0.000 0.287 443 I C -0.533 175.641 176.117 0.096 0.000 1.008 443 I CA -0.617 60.685 61.300 0.003 0.000 1.104 443 I CB 1.365 39.182 38.000 -0.305 0.000 1.264 443 I HN 0.703 nan 8.210 nan 0.000 0.438 444 N N 3.878 122.623 118.700 0.074 0.000 2.699 444 N HA -0.190 4.555 4.740 0.008 0.000 0.256 444 N C -0.022 175.559 175.510 0.118 0.000 0.993 444 N CA 0.818 53.928 53.050 0.100 0.000 0.759 444 N CB -0.822 37.746 38.487 0.135 0.000 0.906 444 N HN 0.773 nan 8.380 nan 0.000 0.541 445 A N 0.750 123.646 122.820 0.126 0.000 2.498 445 A HA 0.322 4.647 4.320 0.008 0.000 0.239 445 A C -1.327 176.348 177.584 0.151 0.000 1.068 445 A CA -0.683 51.448 52.037 0.156 0.000 0.766 445 A CB 0.120 19.245 19.000 0.208 0.000 1.003 445 A HN 0.215 nan 8.150 nan 0.000 0.497 446 P HA 0.160 nan 4.420 nan 0.000 0.271 446 P C 0.535 177.937 177.300 0.171 0.000 1.220 446 P CA 0.434 63.611 63.100 0.128 0.000 0.768 446 P CB 1.153 32.910 31.700 0.095 0.000 0.848 447 A N 2.792 125.660 122.820 0.080 0.000 2.186 447 A HA -0.005 4.320 4.320 0.008 0.000 0.219 447 A C 1.128 178.720 177.584 0.012 0.000 1.159 447 A CA 1.259 53.315 52.037 0.032 0.000 0.680 447 A CB -0.440 18.570 19.000 0.016 0.000 0.787 447 A HN 0.657 nan 8.150 nan 0.000 0.467 448 S N -1.517 114.229 115.700 0.078 0.000 2.550 448 S HA 0.400 4.875 4.470 0.008 0.000 0.270 448 S C -0.592 174.117 174.600 0.182 0.000 1.145 448 S CA 0.009 58.257 58.200 0.079 0.000 0.852 448 S CB 1.249 64.469 63.200 0.033 0.000 1.119 448 S HN 0.327 nan 8.310 nan 0.000 0.465 449 D N 1.306 121.833 120.400 0.211 0.000 2.349 449 D HA 0.141 4.786 4.640 0.008 0.000 0.214 449 D C 0.299 176.645 176.300 0.077 0.000 1.063 449 D CA -0.062 54.048 54.000 0.183 0.000 0.847 449 D CB -0.139 40.822 40.800 0.268 0.000 0.933 449 D HN 0.487 nan 8.370 nan 0.000 0.513 456 G N -0.116 108.819 108.800 0.224 0.000 2.662 456 G HA2 -0.015 3.950 3.960 0.008 0.000 0.212 456 G HA3 -0.015 3.950 3.960 0.008 0.000 0.212 456 G C 0.329 175.339 174.900 0.184 0.000 1.141 456 G CA 0.161 45.374 45.100 0.189 0.000 0.797 456 G HN 0.243 nan 8.290 nan 0.000 0.531 457 N N -0.202 118.596 118.700 0.164 0.000 2.621 457 N HA 0.238 4.983 4.740 0.008 0.000 0.237 457 N C 0.375 175.989 175.510 0.174 0.000 0.997 457 N CA -0.682 52.465 53.050 0.161 0.000 0.918 457 N CB 0.595 39.148 38.487 0.111 0.000 1.122 457 N HN -0.037 nan 8.380 nan 0.000 0.510 458 F N 3.162 123.136 119.950 0.041 0.000 2.065 458 F HA -0.221 4.310 4.527 0.007 0.000 0.298 458 F C 2.285 178.060 175.800 -0.042 0.000 1.112 458 F CA 1.704 59.683 58.000 -0.035 0.000 1.212 458 F CB 0.116 38.961 39.000 -0.258 0.000 0.975 458 F HN 0.543 nan 8.300 nan 0.000 0.476 459 E N 0.131 120.323 120.200 -0.014 0.000 2.136 459 E HA -0.290 4.064 4.350 0.008 0.000 0.202 459 E C 2.210 178.816 176.600 0.010 0.000 1.019 459 E CA 1.682 58.092 56.400 0.017 0.000 0.819 459 E CB -0.483 29.313 29.700 0.161 0.000 0.739 459 E HN 0.414 nan 8.360 nan 0.000 0.458 460 E N 0.862 121.071 120.200 0.016 0.000 2.107 460 E HA -0.179 4.176 4.350 0.008 0.000 0.191 460 E C 1.920 178.500 176.600 -0.033 0.000 0.982 460 E CA 1.404 57.811 56.400 0.011 0.000 0.809 460 E CB -0.079 29.635 29.700 0.023 0.000 0.756 460 E HN 0.369 nan 8.360 nan 0.000 0.459 461 E N -0.921 119.231 120.200 -0.081 0.000 2.107 461 E HA -0.149 4.206 4.350 0.008 0.000 0.191 461 E C 2.017 178.546 176.600 -0.118 0.000 0.982 461 E CA 0.875 57.219 56.400 -0.093 0.000 0.809 461 E CB -0.525 29.152 29.700 -0.039 0.000 0.756 461 E HN 0.243 nan 8.360 nan 0.000 0.459 462 F N 1.312 120.985 119.950 -0.461 0.000 2.216 462 F HA -0.047 4.485 4.527 0.007 0.000 0.300 462 F C 2.036 177.740 175.800 -0.161 0.000 1.085 462 F CA 1.477 59.223 58.000 -0.424 0.000 1.326 462 F CB 0.082 38.719 39.000 -0.605 0.000 1.027 462 F HN -0.069 nan 8.300 nan 0.000 0.497 463 R N -0.492 119.982 120.500 -0.043 0.000 2.075 463 R HA -0.053 4.292 4.340 0.008 0.000 0.226 463 R C 0.576 176.837 176.300 -0.065 0.000 1.114 463 R CA 1.347 57.425 56.100 -0.037 0.000 0.972 463 R CB -0.440 29.887 30.300 0.045 0.000 0.869 463 R HN 0.129 nan 8.270 nan 0.000 0.437 464 N N 0.446 119.116 118.700 -0.050 0.000 2.671 464 N HA 0.063 4.808 4.740 0.008 0.000 0.303 464 N C -0.109 175.352 175.510 -0.082 0.000 1.351 464 N CA -0.202 52.825 53.050 -0.038 0.000 0.991 464 N CB 0.169 38.642 38.487 -0.024 0.000 1.307 464 N HN 0.013 nan 8.380 nan 0.000 0.512 465 F N 0.059 119.801 119.950 -0.346 0.000 2.046 465 F HA 0.026 4.558 4.527 0.008 0.000 0.297 465 F C 0.028 175.450 175.800 -0.630 0.000 1.123 465 F CA 1.268 58.916 58.000 -0.588 0.000 1.199 465 F CB -0.016 38.493 39.000 -0.818 0.000 0.972 465 F HN 0.149 nan 8.300 nan 0.000 0.474 466 W N 3.431 124.519 121.300 -0.353 0.000 2.317 466 W HA 0.246 4.911 4.660 0.009 0.000 0.327 466 W C 0.200 176.538 176.519 -0.302 0.000 1.036 466 W CA -0.978 55.973 57.345 -0.657 0.000 1.419 466 W CB -0.048 28.882 29.460 -0.884 0.000 1.253 466 W HN 0.043 nan 8.180 nan 0.000 0.392 467 N N 0.903 119.568 118.700 -0.059 0.000 2.604 467 N HA 0.168 4.913 4.740 0.008 0.000 0.297 467 N C 0.745 176.380 175.510 0.210 0.000 1.266 467 N CA -0.600 52.509 53.050 0.098 0.000 0.961 467 N CB 0.494 38.998 38.487 0.029 0.000 1.166 467 N HN 0.354 nan 8.380 nan 0.000 0.601 468 N N 0.187 119.032 118.700 0.241 0.000 2.094 468 N HA -0.257 4.488 4.740 0.008 0.000 0.191 468 N C 1.736 177.424 175.510 0.297 0.000 1.023 468 N CA 2.568 55.804 53.050 0.310 0.000 0.857 468 N CB -0.201 38.428 38.487 0.237 0.000 1.013 468 N HN 0.626 nan 8.380 nan 0.000 0.426 469 S N -0.401 115.417 115.700 0.196 0.000 2.382 469 S HA -0.093 4.382 4.470 0.008 0.000 0.228 469 S C 1.731 176.444 174.600 0.190 0.000 1.027 469 S CA 0.951 59.312 58.200 0.269 0.000 0.991 469 S CB -0.569 62.802 63.200 0.284 0.000 0.823 469 S HN 0.347 nan 8.310 nan 0.000 0.469 470 N N 1.288 119.998 118.700 0.016 0.000 2.084 470 N HA -0.070 4.675 4.740 0.008 0.000 0.190 470 N C 1.588 176.880 175.510 -0.363 0.000 1.030 470 N CA 1.690 54.574 53.050 -0.276 0.000 0.849 470 N CB -0.721 37.549 38.487 -0.361 0.000 1.012 470 N HN 0.517 nan 8.380 nan 0.000 0.423 471 Y N 0.184 120.386 120.300 -0.164 0.000 2.181 471 Y HA -0.153 4.401 4.550 0.008 0.000 0.288 471 Y C 2.280 177.930 175.900 -0.417 0.000 1.146 471 Y CA 1.003 58.963 58.100 -0.233 0.000 1.164 471 Y CB -0.750 37.551 38.460 -0.265 0.000 0.982 471 Y HN 0.082 nan 8.280 nan 0.000 0.515 472 Y N -1.423 118.769 120.300 -0.180 0.000 2.145 472 Y HA -0.280 4.275 4.550 0.009 0.000 0.286 472 Y C 2.709 178.278 175.900 -0.552 0.000 1.145 472 Y CA 1.351 59.185 58.100 -0.442 0.000 1.148 472 Y CB -0.828 37.256 38.460 -0.627 0.000 0.981 472 Y HN 0.121 nan 8.280 nan 0.000 0.507 473 C N -1.050 118.204 119.300 -0.076 0.000 2.393 473 C HA -0.212 4.253 4.460 0.008 0.000 0.276 473 C C 2.943 177.749 174.990 -0.307 0.000 1.215 473 C CA 1.552 60.584 59.018 0.024 0.000 1.743 473 C CB -1.296 26.408 27.740 -0.060 0.000 2.044 473 C HN 0.568 nan 8.230 nan 0.000 0.464 474 V N -0.967 118.628 119.914 -0.532 0.000 2.599 474 V HA 0.036 4.161 4.120 0.008 0.000 0.245 474 V C 2.114 177.715 176.094 -0.821 0.000 1.046 474 V CA 1.480 63.301 62.300 -0.798 0.000 1.065 474 V CB -0.655 30.431 31.823 -1.229 0.000 0.703 474 V HN 0.348 nan 8.190 nan 0.000 0.464 475 L N 1.481 122.269 121.223 -0.724 0.000 2.005 475 L HA 0.136 4.481 4.340 0.008 0.000 0.207 475 L C 2.893 179.394 176.870 -0.616 0.000 1.072 475 L CA 2.575 56.958 54.840 -0.762 0.000 0.744 475 L CB -1.511 39.880 42.059 -1.113 0.000 0.895 475 L HN 0.429 nan 8.230 nan 0.000 0.433 476 A N -0.945 121.547 122.820 -0.546 0.000 1.929 476 A HA -0.015 4.310 4.320 0.008 0.000 0.216 476 A C 2.382 179.710 177.584 -0.426 0.000 1.176 476 A CA 1.356 53.192 52.037 -0.336 0.000 0.628 476 A CB -1.270 17.550 19.000 -0.300 0.000 0.816 476 A HN 0.444 nan 8.150 nan 0.000 0.444 477 G N 0.077 108.435 108.800 -0.737 0.000 2.440 477 G HA2 -0.207 3.758 3.960 0.008 0.000 0.218 477 G HA3 -0.207 3.758 3.960 0.008 0.000 0.218 477 G C 1.469 175.548 174.900 -1.367 0.000 1.154 477 G CA 1.121 45.361 45.100 -1.433 0.000 0.767 477 G HN 0.446 nan 8.290 nan 0.000 0.552 478 L N -0.007 120.615 121.223 -1.001 0.000 2.376 478 L HA 0.210 4.555 4.340 0.008 0.000 0.219 478 L C 2.187 178.925 176.870 -0.221 0.000 1.133 478 L CA 0.730 55.308 54.840 -0.437 0.000 0.816 478 L CB 0.017 41.904 42.059 -0.287 0.000 0.933 478 L HN 0.475 nan 8.230 nan 0.000 0.449 479 G N 0.020 108.679 108.800 -0.236 0.000 2.192 479 G HA2 -0.216 3.749 3.960 0.008 0.000 0.193 479 G HA3 -0.216 3.749 3.960 0.008 0.000 0.193 479 G C -0.229 174.625 174.900 -0.077 0.000 0.999 479 G CA -0.332 44.713 45.100 -0.092 0.000 0.659 479 G HN 0.098 nan 8.290 nan 0.000 0.503 480 L N 2.410 123.530 121.223 -0.172 0.000 2.278 480 L HA 0.738 5.083 4.340 0.008 0.000 0.287 480 L C 0.478 177.279 176.870 -0.114 0.000 1.072 480 L CA -0.672 54.054 54.840 -0.189 0.000 0.819 480 L CB 1.393 43.173 42.059 -0.465 0.000 1.176 480 L HN 0.682 nan 8.230 nan 0.000 0.435 481 V N 3.026 122.873 119.914 -0.112 0.000 3.074 481 V HA 0.777 4.901 4.120 0.008 0.000 0.314 481 V C -2.556 173.169 176.094 -0.615 0.000 1.117 481 V CA -2.421 59.656 62.300 -0.370 0.000 1.014 481 V CB 1.294 32.920 31.823 -0.329 0.000 1.057 481 V HN 0.624 nan 8.190 nan 0.000 0.438 482 P HA 0.166 nan 4.420 nan 0.000 0.269 482 P C -0.082 177.021 177.300 -0.329 0.000 1.217 482 P CA 0.130 62.719 63.100 -0.851 0.000 0.783 482 P CB 0.409 31.538 31.700 -0.952 0.000 0.898 483 D N -0.268 120.038 120.400 -0.157 0.000 2.224 483 D HA 0.074 4.719 4.640 0.008 0.000 0.205 483 D C 0.643 176.982 176.300 0.065 0.000 0.965 483 D CA 1.301 55.303 54.000 0.002 0.000 0.852 483 D CB 0.091 40.877 40.800 -0.023 0.000 0.947 483 D HN 0.416 nan 8.370 nan 0.000 0.494 484 A N -0.315 122.479 122.820 -0.042 0.000 2.608 484 A HA 0.542 4.867 4.320 0.008 0.000 0.292 484 A C -2.794 174.672 177.584 -0.197 0.000 1.066 484 A CA -1.199 50.632 52.037 -0.344 0.000 0.676 484 A CB 0.929 19.742 19.000 -0.311 0.000 1.277 484 A HN -0.234 nan 8.150 nan 0.000 0.413 485 P HA 0.151 nan 4.420 nan 0.000 0.269 485 P C 0.165 177.375 177.300 -0.150 0.000 1.217 485 P CA 0.111 63.081 63.100 -0.218 0.000 0.783 485 P CB 0.524 32.004 31.700 -0.367 0.000 0.898 486 S N 2.798 118.437 115.700 -0.102 0.000 2.596 486 S HA 0.031 4.506 4.470 0.008 0.000 0.298 486 S C -1.331 173.231 174.600 -0.063 0.000 1.255 486 S CA -0.767 57.387 58.200 -0.077 0.000 1.083 486 S CB -0.603 62.596 63.200 -0.002 0.000 0.837 486 S HN 0.246 nan 8.310 nan 0.000 0.499 487 P HA -0.125 nan 4.420 nan 0.000 0.218 487 P C 1.443 178.778 177.300 0.059 0.000 1.146 487 P CA 0.983 64.077 63.100 -0.010 0.000 0.820 487 P CB 0.105 31.813 31.700 0.012 0.000 0.778 488 R N -0.540 119.999 120.500 0.065 0.000 2.148 488 R HA -0.040 4.305 4.340 0.008 0.000 0.227 488 R C 2.097 178.440 176.300 0.071 0.000 1.103 488 R CA 0.891 57.058 56.100 0.113 0.000 0.983 488 R CB -0.734 29.600 30.300 0.057 0.000 0.874 488 R HN 0.250 nan 8.270 nan 0.000 0.451 489 L N -0.256 120.955 121.223 -0.019 0.000 2.131 489 L HA -0.120 4.225 4.340 0.008 0.000 0.210 489 L C 2.370 179.211 176.870 -0.048 0.000 1.092 489 L CA 1.075 55.884 54.840 -0.052 0.000 0.759 489 L CB -0.431 41.557 42.059 -0.118 0.000 0.903 489 L HN 0.196 nan 8.230 nan 0.000 0.435 490 A N -1.548 121.202 122.820 -0.118 0.000 2.216 490 A HA -0.136 4.189 4.320 0.008 0.000 0.214 490 A C 1.586 178.974 177.584 -0.326 0.000 1.160 490 A CA 0.915 52.818 52.037 -0.224 0.000 0.725 490 A CB -0.551 18.266 19.000 -0.305 0.000 0.784 490 A HN 0.453 nan 8.150 nan 0.000 0.472 491 H N -1.751 117.312 119.070 -0.010 0.000 2.592 491 H HA 0.345 4.905 4.556 0.008 0.000 0.279 491 H C -0.108 175.223 175.328 0.004 0.000 1.089 491 H CA 0.130 56.175 56.048 -0.005 0.000 1.150 491 H CB 0.272 30.028 29.762 -0.010 0.000 1.575 491 H HN 0.473 nan 8.280 nan 0.000 0.547 492 M N 1.645 121.297 119.600 0.086 0.000 3.200 492 M HA 0.178 4.662 4.480 0.008 0.000 0.335 492 M C -1.857 174.491 176.300 0.081 0.000 1.446 492 M CA -1.358 53.991 55.300 0.083 0.000 0.691 492 M CB 1.667 34.323 32.600 0.093 0.000 1.409 492 M HN -0.129 nan 8.290 nan 0.000 0.488 493 P HA -0.249 nan 4.420 nan 0.000 0.216 493 P C 1.221 178.561 177.300 0.066 0.000 1.150 493 P CA 1.552 64.684 63.100 0.053 0.000 0.843 493 P CB 0.196 31.914 31.700 0.030 0.000 0.787 494 Q N -0.027 119.807 119.800 0.057 0.000 2.119 494 Q HA -0.110 4.235 4.340 0.008 0.000 0.201 494 Q C 2.183 178.227 176.000 0.074 0.000 0.972 494 Q CA 1.749 57.582 55.803 0.050 0.000 0.847 494 Q CB -0.515 28.240 28.738 0.028 0.000 0.903 494 Q HN 0.150 nan 8.270 nan 0.000 0.433 495 A N 0.294 123.171 122.820 0.095 0.000 1.872 495 A HA -0.129 4.196 4.320 0.008 0.000 0.214 495 A C 2.211 179.972 177.584 0.296 0.000 1.187 495 A CA 1.702 53.826 52.037 0.145 0.000 0.614 495 A CB -0.987 18.114 19.000 0.168 0.000 0.826 495 A HN 0.614 nan 8.150 nan 0.000 0.442 496 T N -2.305 112.425 114.554 0.294 0.000 3.113 496 T HA -0.006 4.349 4.350 0.008 0.000 0.263 496 T C 1.404 176.211 174.700 0.179 0.000 1.143 496 T CA 1.436 63.719 62.100 0.307 0.000 1.090 496 T CB 0.085 69.089 68.868 0.228 0.000 0.922 496 T HN 0.471 nan 8.240 nan 0.000 0.521 497 E N 2.602 122.883 120.200 0.135 0.000 2.079 497 E HA -0.027 4.328 4.350 0.008 0.000 0.191 497 E C 2.365 179.010 176.600 0.075 0.000 0.961 497 E CA 1.320 57.773 56.400 0.088 0.000 0.823 497 E CB -0.445 29.295 29.700 0.067 0.000 0.789 497 E HN 0.556 nan 8.360 nan 0.000 0.459 498 S N 0.126 115.885 115.700 0.099 0.000 2.402 498 S HA -0.101 4.374 4.470 0.008 0.000 0.229 498 S C 2.182 176.754 174.600 -0.048 0.000 1.021 498 S CA 0.855 59.103 58.200 0.080 0.000 0.974 498 S CB -0.703 62.586 63.200 0.148 0.000 0.800 498 S HN 0.140 nan 8.310 nan 0.000 0.484 499 V N 3.172 123.016 119.914 -0.117 0.000 2.363 499 V HA -0.294 3.831 4.120 0.008 0.000 0.254 499 V C 2.481 178.317 176.094 -0.430 0.000 1.074 499 V CA 2.603 64.485 62.300 -0.697 0.000 1.069 499 V CB -0.863 30.586 31.823 -0.623 0.000 0.659 499 V HN 0.574 nan 8.190 nan 0.000 0.455 500 D N -0.559 119.792 120.400 -0.082 0.000 2.190 500 D HA -0.232 4.413 4.640 0.008 0.000 0.200 500 D C 2.060 178.358 176.300 -0.004 0.000 0.992 500 D CA 1.630 55.679 54.000 0.081 0.000 0.854 500 D CB 0.003 40.857 40.800 0.090 0.000 0.936 500 D HN 0.687 nan 8.370 nan 0.000 0.462 501 E N 0.420 120.562 120.200 -0.096 0.000 2.038 501 E HA -0.145 4.210 4.350 0.008 0.000 0.195 501 E C 2.215 178.729 176.600 -0.143 0.000 1.000 501 E CA 1.335 57.681 56.400 -0.090 0.000 0.803 501 E CB -0.620 29.027 29.700 -0.088 0.000 0.750 501 E HN 0.117 nan 8.360 nan 0.000 0.448 502 V N 0.358 120.079 119.914 -0.322 0.000 2.282 502 V HA -0.272 3.853 4.120 0.008 0.000 0.249 502 V C 2.255 178.186 176.094 -0.272 0.000 1.057 502 V CA 2.131 64.194 62.300 -0.396 0.000 1.032 502 V CB -0.707 30.677 31.823 -0.730 0.000 0.645 502 V HN 0.240 nan 8.190 nan 0.000 0.447 503 F N 1.256 121.121 119.950 -0.142 0.000 2.134 503 F HA -0.014 4.519 4.527 0.009 0.000 0.299 503 F C 2.413 178.183 175.800 -0.049 0.000 1.097 503 F CA 1.331 59.288 58.000 -0.073 0.000 1.264 503 F CB -1.433 37.550 39.000 -0.030 0.000 1.001 503 F HN 0.196 nan 8.300 nan 0.000 0.479 504 G N -0.609 108.272 108.800 0.136 0.000 2.422 504 G HA2 -0.163 3.802 3.960 0.008 0.000 0.218 504 G HA3 -0.163 3.802 3.960 0.008 0.000 0.218 504 G C 1.914 176.835 174.900 0.035 0.000 1.146 504 G CA 0.822 45.966 45.100 0.073 0.000 0.769 504 G HN 0.457 nan 8.290 nan 0.000 0.547 505 A N 0.635 123.456 122.820 0.002 0.000 1.902 505 A HA 0.017 4.342 4.320 0.008 0.000 0.217 505 A C 2.722 180.301 177.584 -0.007 0.000 1.181 505 A CA 2.588 54.615 52.037 -0.017 0.000 0.623 505 A CB -0.811 18.159 19.000 -0.051 0.000 0.818 505 A HN 0.922 nan 8.150 nan 0.000 0.443 506 V N -2.643 117.272 119.914 0.002 0.000 2.453 506 V HA -0.147 3.978 4.120 0.008 0.000 0.247 506 V C 1.980 178.090 176.094 0.027 0.000 1.048 506 V CA 2.082 64.386 62.300 0.006 0.000 1.049 506 V CB -0.785 31.045 31.823 0.011 0.000 0.672 506 V HN 0.350 nan 8.190 nan 0.000 0.457 507 K N 0.374 120.805 120.400 0.051 0.000 2.147 507 K HA -0.150 4.175 4.320 0.008 0.000 0.205 507 K C 1.903 178.523 176.600 0.033 0.000 1.049 507 K CA 1.720 58.037 56.287 0.051 0.000 0.936 507 K CB -0.461 32.074 32.500 0.059 0.000 0.722 507 K HN 0.585 nan 8.250 nan 0.000 0.446 508 D N 0.408 120.822 120.400 0.023 0.000 2.077 508 D HA -0.103 4.542 4.640 0.008 0.000 0.196 508 D C 2.021 178.327 176.300 0.010 0.000 0.986 508 D CA 0.757 54.766 54.000 0.015 0.000 0.829 508 D CB -0.071 40.734 40.800 0.009 0.000 0.983 508 D HN 0.019 nan 8.370 nan 0.000 0.453 509 R N 0.783 121.285 120.500 0.004 0.000 2.117 509 R HA -0.135 4.210 4.340 0.008 0.000 0.243 509 R C 2.265 178.565 176.300 -0.001 0.000 1.143 509 R CA 1.068 57.167 56.100 -0.002 0.000 0.968 509 R CB -0.415 29.880 30.300 -0.008 0.000 0.863 509 R HN 0.479 nan 8.270 nan 0.000 0.444 510 Q N -0.346 119.458 119.800 0.006 0.000 2.030 510 Q HA -0.141 4.204 4.340 0.008 0.000 0.204 510 Q C 2.289 178.297 176.000 0.014 0.000 0.986 510 Q CA 1.074 56.882 55.803 0.008 0.000 0.843 510 Q CB -0.224 28.529 28.738 0.026 0.000 0.904 510 Q HN 0.221 nan 8.270 nan 0.000 0.420 511 R N 0.831 121.343 120.500 0.020 0.000 2.097 511 R HA -0.173 4.171 4.340 0.008 0.000 0.236 511 R C 2.111 178.419 176.300 0.013 0.000 1.135 511 R CA 1.573 57.685 56.100 0.020 0.000 0.934 511 R CB -0.750 29.562 30.300 0.020 0.000 0.846 511 R HN 0.365 nan 8.270 nan 0.000 0.431 512 N N 1.284 119.989 118.700 0.008 0.000 2.013 512 N HA -0.164 4.581 4.740 0.008 0.000 0.195 512 N C 2.047 177.557 175.510 -0.000 0.000 1.051 512 N CA 1.616 54.668 53.050 0.004 0.000 0.851 512 N CB -0.395 38.093 38.487 0.001 0.000 1.044 512 N HN 0.172 nan 8.380 nan 0.000 0.422 513 L N 0.842 122.061 121.223 -0.006 0.000 2.081 513 L HA -0.164 4.181 4.340 0.008 0.000 0.212 513 L C 2.645 179.508 176.870 -0.010 0.000 1.080 513 L CA 0.767 55.597 54.840 -0.015 0.000 0.754 513 L CB -0.466 41.577 42.059 -0.026 0.000 0.893 513 L HN 0.289 nan 8.230 nan 0.000 0.433 514 L N -0.247 120.976 121.223 -0.000 0.000 2.056 514 L HA -0.213 4.132 4.340 0.008 0.000 0.207 514 L C 2.434 179.311 176.870 0.013 0.000 1.078 514 L CA 1.604 56.450 54.840 0.010 0.000 0.749 514 L CB -0.100 41.972 42.059 0.022 0.000 0.901 514 L HN 0.360 nan 8.230 nan 0.000 0.433 515 E N -1.166 119.041 120.200 0.011 0.000 2.158 515 E HA -0.153 4.202 4.350 0.008 0.000 0.191 515 E C 1.734 178.339 176.600 0.009 0.000 0.982 515 E CA 1.583 57.990 56.400 0.012 0.000 0.823 515 E CB 0.153 29.860 29.700 0.012 0.000 0.766 515 E HN 0.554 nan 8.360 nan 0.000 0.468 516 T N -1.796 112.760 114.554 0.003 0.000 3.023 516 T HA 0.216 4.570 4.350 0.008 0.000 0.253 516 T C 0.673 175.371 174.700 -0.003 0.000 1.038 516 T CA -0.272 61.829 62.100 0.001 0.000 0.962 516 T CB 0.093 68.960 68.868 -0.001 0.000 1.018 516 T HN -0.116 nan 8.240 nan 0.000 0.521 517 L N 3.591 124.809 121.223 -0.009 0.000 2.326 517 L HA 0.447 4.792 4.340 0.008 0.000 0.278 517 L C -2.006 174.861 176.870 -0.005 0.000 1.092 517 L CA -2.431 52.396 54.840 -0.021 0.000 0.810 517 L CB 1.071 43.104 42.059 -0.043 0.000 1.153 517 L HN 0.101 nan 8.230 nan 0.000 0.439 518 P HA 0.104 nan 4.420 nan 0.000 0.277 518 P C -0.571 176.747 177.300 0.029 0.000 1.240 518 P CA -0.512 62.605 63.100 0.028 0.000 0.798 518 P CB 1.216 32.950 31.700 0.055 0.000 0.979 519 S N 1.567 117.298 115.700 0.053 0.000 2.576 519 S HA -0.024 4.451 4.470 0.008 0.000 0.272 519 S C 1.322 175.973 174.600 0.085 0.000 1.352 519 S CA -0.523 57.719 58.200 0.070 0.000 1.021 519 S CB -0.048 63.216 63.200 0.107 0.000 0.887 519 S HN 0.423 nan 8.310 nan 0.000 0.542 520 L N 1.122 122.394 121.223 0.081 0.000 2.046 520 L HA -0.047 4.298 4.340 0.008 0.000 0.208 520 L C 2.396 179.386 176.870 0.199 0.000 1.077 520 L CA 2.504 57.401 54.840 0.095 0.000 0.747 520 L CB -1.585 40.515 42.059 0.067 0.000 0.896 520 L HN 1.042 nan 8.230 nan 0.000 0.432 521 H N -0.075 119.050 119.070 0.092 0.000 2.319 521 H HA -0.228 4.333 4.556 0.008 0.000 0.297 521 H C 2.217 177.598 175.328 0.087 0.000 1.097 521 H CA 2.304 58.408 56.048 0.093 0.000 1.285 521 H CB -0.174 29.634 29.762 0.077 0.000 1.368 521 H HN 0.602 nan 8.280 nan 0.000 0.495 522 E N -1.015 119.184 120.200 -0.001 0.000 2.033 522 E HA -0.249 4.106 4.350 0.008 0.000 0.199 522 E C 2.101 178.674 176.600 -0.045 0.000 1.011 522 E CA 1.543 57.900 56.400 -0.071 0.000 0.815 522 E CB -0.434 29.279 29.700 0.022 0.000 0.755 522 E HN 0.515 nan 8.360 nan 0.000 0.451 523 F N 0.903 120.803 119.950 -0.084 0.000 2.171 523 F HA -0.143 4.388 4.527 0.007 0.000 0.300 523 F C 1.939 177.709 175.800 -0.050 0.000 1.090 523 F CA 1.142 59.094 58.000 -0.080 0.000 1.293 523 F CB -0.082 38.847 39.000 -0.118 0.000 1.013 523 F HN 0.021 nan 8.300 nan 0.000 0.486 524 L N -0.050 121.240 121.223 0.111 0.000 2.046 524 L HA -0.235 4.110 4.340 0.008 0.000 0.208 524 L C 2.769 179.574 176.870 -0.109 0.000 1.077 524 L CA 1.493 56.373 54.840 0.066 0.000 0.747 524 L CB -0.670 41.500 42.059 0.185 0.000 0.896 524 L HN 0.084 nan 8.230 nan 0.000 0.432 525 R N -0.123 120.266 120.500 -0.186 0.000 2.096 525 R HA -0.278 4.067 4.340 0.008 0.000 0.240 525 R C 2.346 178.533 176.300 -0.188 0.000 1.139 525 R CA 2.272 58.254 56.100 -0.196 0.000 0.952 525 R CB -0.290 29.846 30.300 -0.272 0.000 0.854 525 R HN 0.439 nan 8.270 nan 0.000 0.436 526 Q N -0.004 119.642 119.800 -0.256 0.000 2.020 526 Q HA -0.207 4.138 4.340 0.008 0.000 0.202 526 Q C 1.826 177.649 176.000 -0.294 0.000 0.982 526 Q CA 1.381 57.017 55.803 -0.280 0.000 0.838 526 Q CB -0.041 28.481 28.738 -0.361 0.000 0.899 526 Q HN 0.311 nan 8.270 nan 0.000 0.423 527 Q N -1.245 118.309 119.800 -0.409 0.000 2.592 527 Q HA -0.210 4.135 4.340 0.008 0.000 0.219 527 Q C 1.299 177.203 176.000 -0.159 0.000 0.984 527 Q CA 1.815 57.443 55.803 -0.291 0.000 0.911 527 Q CB -0.109 28.505 28.738 -0.206 0.000 0.962 527 Q HN 0.767 nan 8.270 nan 0.000 0.532 528 H N -2.423 116.563 119.070 -0.140 0.000 2.010 528 H HA 0.361 4.922 4.556 0.008 0.000 0.175 528 H C 1.194 176.474 175.328 -0.080 0.000 0.966 528 H CA 0.469 56.461 56.048 -0.093 0.000 1.080 528 H CB -0.923 28.800 29.762 -0.065 0.000 1.072 528 H HN 0.334 nan 8.280 nan 0.000 0.373 529 G N 0.000 108.753 108.800 -0.078 0.000 5.446 529 G HA2 0.000 3.965 3.960 0.008 0.000 0.244 529 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 529 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 529 G HN 0.000 nan 8.290 nan 0.000 0.925