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 2e4g_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 AINAPASDDA DATA SEQUENCE QLYYGNFEEE 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 0.000 174.610 174.600 0.017 0.000 1.055 2 S CA 0.000 58.209 58.200 0.014 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 G N 1.976 110.788 108.800 0.020 0.000 2.712 3 G HA2 0.231 4.195 3.960 0.006 0.000 0.686 3 G HA3 0.231 4.195 3.960 0.006 0.000 0.686 3 G C -0.455 174.464 174.900 0.031 0.000 1.181 3 G CA -0.201 44.913 45.100 0.023 0.000 0.762 3 G HN 1.224 nan 8.290 nan 0.000 0.641 4 K N 1.129 121.553 120.400 0.039 0.000 2.149 4 K HA 0.560 4.883 4.320 0.006 0.000 0.245 4 K C 0.536 177.171 176.600 0.058 0.000 1.024 4 K CA -0.769 55.556 56.287 0.062 0.000 0.899 4 K CB 0.688 33.231 32.500 0.071 0.000 1.038 4 K HN 0.347 nan 8.250 nan 0.000 0.496 5 I N 2.778 123.404 120.570 0.092 0.000 2.533 5 I HA -0.064 4.110 4.170 0.006 0.000 0.284 5 I C 0.589 176.746 176.117 0.066 0.000 1.109 5 I CA 0.373 61.716 61.300 0.071 0.000 1.412 5 I CB 0.580 38.654 38.000 0.124 0.000 1.396 5 I HN 0.752 nan 8.210 nan 0.000 0.543 6 D N 5.268 125.683 120.400 0.025 0.000 2.394 6 D HA 0.101 4.745 4.640 0.006 0.000 0.226 6 D C 0.403 176.699 176.300 -0.007 0.000 0.990 6 D CA 0.819 54.826 54.000 0.012 0.000 0.902 6 D CB 0.837 41.641 40.800 0.006 0.000 1.038 6 D HN 0.465 nan 8.370 nan 0.000 0.499 7 K N 0.777 121.157 120.400 -0.032 0.000 2.316 7 K HA 0.608 4.931 4.320 0.006 0.000 0.251 7 K C -0.574 175.947 176.600 -0.132 0.000 0.934 7 K CA -0.525 55.722 56.287 -0.066 0.000 0.802 7 K CB 3.019 35.478 32.500 -0.067 0.000 1.171 7 K HN -0.126 nan 8.250 nan 0.000 0.426 8 I N 3.098 123.585 120.570 -0.139 0.000 2.466 8 I HA 0.276 4.449 4.170 0.006 0.000 0.289 8 I C -1.196 174.778 176.117 -0.238 0.000 1.026 8 I CA -1.116 60.063 61.300 -0.202 0.000 1.078 8 I CB 1.838 39.777 38.000 -0.100 0.000 1.249 8 I HN 0.318 nan 8.210 nan 0.000 0.429 9 L N 8.048 129.046 121.223 -0.377 0.000 2.305 9 L HA 0.608 4.951 4.340 0.006 0.000 0.284 9 L C -0.925 175.832 176.870 -0.188 0.000 1.013 9 L CA -0.067 54.605 54.840 -0.280 0.000 0.819 9 L CB 1.211 43.087 42.059 -0.305 0.000 1.227 9 L HN 0.401 nan 8.230 nan 0.000 0.417 10 I N 5.785 126.250 120.570 -0.174 0.000 2.321 10 I HA 0.358 4.532 4.170 0.006 0.000 0.291 10 I C -0.665 175.350 176.117 -0.170 0.000 0.998 10 I CA -0.813 60.384 61.300 -0.171 0.000 1.227 10 I CB 1.722 39.581 38.000 -0.235 0.000 1.368 10 I HN 0.250 nan 8.210 nan 0.000 0.466 11 V N 5.746 125.592 119.914 -0.113 0.000 2.328 11 V HA 0.804 4.928 4.120 0.006 0.000 0.278 11 V C 0.363 176.381 176.094 -0.127 0.000 1.021 11 V CA -0.319 61.919 62.300 -0.104 0.000 0.838 11 V CB 0.794 32.595 31.823 -0.037 0.000 0.999 11 V HN 1.055 nan 8.190 nan 0.000 0.447 12 G N 3.466 112.173 108.800 -0.154 0.000 3.187 12 G HA2 0.305 4.268 3.960 0.006 0.000 0.682 12 G HA3 0.305 4.268 3.960 0.006 0.000 0.682 12 G C -0.060 174.685 174.900 -0.259 0.000 1.266 12 G CA -0.431 44.579 45.100 -0.150 0.000 0.902 12 G HN 1.174 nan 8.290 nan 0.000 0.589 13 G N 0.480 109.160 108.800 -0.199 0.000 4.547 13 G HA2 0.698 4.662 3.960 0.006 0.000 0.301 13 G HA3 0.698 4.662 3.960 0.006 0.000 0.301 13 G C 0.757 175.635 174.900 -0.036 0.000 1.240 13 G CA 0.910 45.807 45.100 -0.340 0.000 0.970 13 G HN 1.275 nan 8.290 nan 0.000 0.574 14 G N -0.062 108.720 108.800 -0.030 0.000 2.773 14 G HA2 0.356 4.319 3.960 0.006 0.000 0.186 14 G HA3 0.356 4.319 3.960 0.006 0.000 0.186 14 G C 1.171 176.149 174.900 0.131 0.000 1.411 14 G CA 0.567 45.719 45.100 0.087 0.000 1.054 14 G HN 0.065 nan 8.290 nan 0.000 0.579 15 T N 1.007 115.608 114.554 0.078 0.000 2.708 15 T HA -0.081 4.272 4.350 0.006 0.000 0.266 15 T C 2.741 177.464 174.700 0.039 0.000 1.037 15 T CA 2.047 64.198 62.100 0.085 0.000 1.146 15 T CB -0.520 68.377 68.868 0.049 0.000 0.865 15 T HN 0.540 nan 8.240 nan 0.000 0.435 16 A N 1.348 124.156 122.820 -0.021 0.000 1.877 16 A HA 0.122 4.445 4.320 0.006 0.000 0.216 16 A C 2.636 180.172 177.584 -0.080 0.000 1.186 16 A CA 1.907 53.909 52.037 -0.057 0.000 0.620 16 A CB -1.407 17.549 19.000 -0.073 0.000 0.822 16 A HN 0.511 nan 8.150 nan 0.000 0.443 17 G N -1.578 107.135 108.800 -0.145 0.000 2.446 17 G HA2 -0.264 3.699 3.960 0.006 0.000 0.217 17 G HA3 -0.264 3.699 3.960 0.006 0.000 0.217 17 G C 1.410 176.102 174.900 -0.346 0.000 1.168 17 G CA 0.938 45.857 45.100 -0.301 0.000 0.771 17 G HN 0.678 nan 8.290 nan 0.000 0.551 18 W N 0.179 121.471 121.300 -0.013 0.000 2.519 18 W HA 0.251 4.914 4.660 0.005 0.000 0.266 18 W C 2.816 179.388 176.519 0.087 0.000 1.253 18 W CA 0.042 57.395 57.345 0.013 0.000 1.274 18 W CB -0.018 29.448 29.460 0.010 0.000 1.114 18 W HN 0.115 nan 8.180 nan 0.000 0.596 19 M N -0.478 119.264 119.600 0.237 0.000 2.200 19 M HA -0.082 4.401 4.480 0.006 0.000 0.265 19 M C 2.419 178.885 176.300 0.277 0.000 1.066 19 M CA 1.632 57.089 55.300 0.262 0.000 1.127 19 M CB -0.569 32.001 32.600 -0.050 0.000 1.379 19 M HN 0.040 nan 8.290 nan 0.000 0.420 20 A N 0.481 123.368 122.820 0.111 0.000 1.873 20 A HA -0.045 4.279 4.320 0.006 0.000 0.215 20 A C 2.339 179.987 177.584 0.106 0.000 1.186 20 A CA 1.866 53.946 52.037 0.072 0.000 0.616 20 A CB -0.917 18.056 19.000 -0.043 0.000 0.823 20 A HN 0.474 nan 8.150 nan 0.000 0.442 21 A N -0.618 122.242 122.820 0.067 0.000 1.933 21 A HA -0.061 4.262 4.320 0.006 0.000 0.218 21 A C 2.454 180.144 177.584 0.176 0.000 1.175 21 A CA 2.123 54.208 52.037 0.081 0.000 0.628 21 A CB -0.788 18.248 19.000 0.061 0.000 0.814 21 A HN 0.451 nan 8.150 nan 0.000 0.444 22 S N -1.891 113.981 115.700 0.286 0.000 2.345 22 S HA -0.115 4.358 4.470 0.006 0.000 0.220 22 S C 1.881 176.638 174.600 0.261 0.000 1.031 22 S CA 1.362 59.749 58.200 0.311 0.000 0.996 22 S CB -0.587 62.863 63.200 0.416 0.000 0.882 22 S HN 0.648 nan 8.310 nan 0.000 0.445 23 Y N 2.103 122.519 120.300 0.194 0.000 2.145 23 Y HA -0.088 4.465 4.550 0.005 0.000 0.286 23 Y C 2.014 178.000 175.900 0.142 0.000 1.145 23 Y CA 1.410 59.618 58.100 0.181 0.000 1.148 23 Y CB -0.329 38.220 38.460 0.149 0.000 0.981 23 Y HN 0.135 nan 8.280 nan 0.000 0.507 24 L N -1.219 120.157 121.223 0.256 0.000 2.093 24 L HA -0.137 4.206 4.340 0.006 0.000 0.208 24 L C 2.675 179.549 176.870 0.006 0.000 1.085 24 L CA 1.146 56.044 54.840 0.096 0.000 0.755 24 L CB -1.170 40.925 42.059 0.060 0.000 0.904 24 L HN 0.360 nan 8.230 nan 0.000 0.435 25 G N 0.010 108.824 108.800 0.023 0.000 2.422 25 G HA2 -0.307 3.656 3.960 0.006 0.000 0.218 25 G HA3 -0.307 3.656 3.960 0.006 0.000 0.218 25 G C 1.682 176.538 174.900 -0.073 0.000 1.146 25 G CA 0.898 45.977 45.100 -0.034 0.000 0.769 25 G HN 0.180 nan 8.290 nan 0.000 0.547 26 K N 0.856 121.225 120.400 -0.052 0.000 2.044 26 K HA 0.268 4.591 4.320 0.006 0.000 0.204 26 K C 2.727 179.226 176.600 -0.167 0.000 1.049 26 K CA 1.333 57.538 56.287 -0.135 0.000 0.945 26 K CB -0.606 31.788 32.500 -0.177 0.000 0.724 26 K HN 0.130 nan 8.250 nan 0.000 0.440 27 A N 0.314 123.100 122.820 -0.057 0.000 1.972 27 A HA -0.028 4.296 4.320 0.006 0.000 0.219 27 A C 1.704 179.205 177.584 -0.137 0.000 1.169 27 A CA 1.435 53.455 52.037 -0.028 0.000 0.635 27 A CB -0.459 18.549 19.000 0.014 0.000 0.810 27 A HN 0.312 nan 8.150 nan 0.000 0.446 28 L N -0.728 120.398 121.223 -0.163 0.000 2.769 28 L HA 0.172 4.516 4.340 0.006 0.000 0.240 28 L C 0.650 177.444 176.870 -0.126 0.000 1.163 28 L CA -0.433 54.297 54.840 -0.183 0.000 0.962 28 L CB -0.381 41.541 42.059 -0.228 0.000 1.258 28 L HN 0.397 nan 8.230 nan 0.000 0.513 29 Q N 1.946 121.673 119.800 -0.122 0.000 3.251 29 Q HA -0.045 4.299 4.340 0.006 0.000 0.380 29 Q C 1.366 177.312 176.000 -0.090 0.000 1.047 29 Q CA 1.571 57.307 55.803 -0.110 0.000 1.231 29 Q CB 0.014 28.676 28.738 -0.126 0.000 1.012 29 Q HN 0.483 nan 8.270 nan 0.000 0.438 30 G N 2.626 111.380 108.800 -0.077 0.000 2.168 30 G HA2 -0.323 3.641 3.960 0.006 0.000 0.263 30 G HA3 -0.323 3.641 3.960 0.006 0.000 0.263 30 G C 0.468 175.339 174.900 -0.049 0.000 0.977 30 G CA 0.863 45.927 45.100 -0.060 0.000 0.659 30 G HN 1.162 nan 8.290 nan 0.000 0.533 31 T N -3.860 110.662 114.554 -0.053 0.000 3.170 31 T HA 0.756 5.109 4.350 0.006 0.000 0.288 31 T C 0.350 175.035 174.700 -0.026 0.000 0.992 31 T CA 0.991 63.069 62.100 -0.038 0.000 0.909 31 T CB 0.977 69.819 68.868 -0.043 0.000 1.133 31 T HN 1.931 nan 8.240 nan 0.000 0.530 32 A N 0.746 123.547 122.820 -0.032 0.000 2.577 32 A HA 0.599 4.922 4.320 0.006 0.000 0.297 32 A C -1.971 175.597 177.584 -0.026 0.000 1.060 32 A CA -0.825 51.201 52.037 -0.018 0.000 0.697 32 A CB 1.181 20.175 19.000 -0.010 0.000 1.281 32 A HN 0.187 nan 8.150 nan 0.000 0.402 33 D N 1.984 122.372 120.400 -0.021 0.000 2.274 33 D HA 0.509 5.152 4.640 0.006 0.000 0.239 33 D C -0.452 175.830 176.300 -0.029 0.000 1.104 33 D CA 0.431 54.419 54.000 -0.020 0.000 0.840 33 D CB 1.326 42.120 40.800 -0.010 0.000 1.100 33 D HN 0.449 nan 8.370 nan 0.000 0.477 34 I N 1.423 121.977 120.570 -0.028 0.000 2.404 34 I HA 0.235 4.408 4.170 0.006 0.000 0.293 34 I C 0.172 176.272 176.117 -0.029 0.000 0.992 34 I CA -0.396 60.880 61.300 -0.041 0.000 1.149 34 I CB 1.926 39.903 38.000 -0.040 0.000 1.315 34 I HN 0.012 nan 8.210 nan 0.000 0.446 35 T N 6.914 121.433 114.554 -0.058 0.000 2.848 35 T HA 0.487 4.840 4.350 0.006 0.000 0.285 35 T C -0.705 173.912 174.700 -0.138 0.000 0.995 35 T CA -0.422 61.645 62.100 -0.056 0.000 0.970 35 T CB 1.678 70.527 68.868 -0.032 0.000 0.976 35 T HN 0.351 nan 8.240 nan 0.000 0.441 36 L N 4.542 125.681 121.223 -0.139 0.000 2.287 36 L HA 0.704 5.047 4.340 0.006 0.000 0.287 36 L C -1.265 175.505 176.870 -0.166 0.000 1.022 36 L CA -1.034 53.647 54.840 -0.265 0.000 0.814 36 L CB 0.905 42.608 42.059 -0.593 0.000 1.217 36 L HN 0.473 nan 8.230 nan 0.000 0.420 37 L N 5.808 126.897 121.223 -0.223 0.000 2.280 37 L HA 0.491 4.834 4.340 0.006 0.000 0.287 37 L C -0.717 176.088 176.870 -0.109 0.000 1.023 37 L CA 0.230 54.946 54.840 -0.206 0.000 0.819 37 L CB 1.371 43.229 42.059 -0.336 0.000 1.212 37 L HN 0.761 nan 8.230 nan 0.000 0.420 38 Q N 4.680 124.480 119.800 -0.001 0.000 2.305 38 Q HA 0.867 5.210 4.340 0.006 0.000 0.271 38 Q C -1.387 174.652 176.000 0.064 0.000 1.046 38 Q CA -0.900 54.926 55.803 0.038 0.000 0.798 38 Q CB 1.702 30.501 28.738 0.102 0.000 1.286 38 Q HN 0.764 nan 8.270 nan 0.000 0.435 39 A N 3.542 126.389 122.820 0.044 0.000 2.340 39 A HA 0.653 4.977 4.320 0.006 0.000 0.268 39 A C -2.132 175.495 177.584 0.072 0.000 1.100 39 A CA -1.301 50.765 52.037 0.048 0.000 0.803 39 A CB -0.004 19.016 19.000 0.035 0.000 1.043 39 A HN 0.704 nan 8.150 nan 0.000 0.488 40 P HA 0.443 nan 4.420 nan 0.000 0.297 40 P C -1.580 175.759 177.300 0.066 0.000 1.331 40 P CA -0.065 63.081 63.100 0.077 0.000 0.803 40 P CB 1.160 32.900 31.700 0.065 0.000 0.929 41 D N 1.876 122.321 120.400 0.075 0.000 2.596 41 D HA 0.285 4.928 4.640 0.006 0.000 0.262 41 D C 0.143 176.487 176.300 0.073 0.000 1.210 41 D CA -1.065 52.974 54.000 0.065 0.000 0.873 41 D CB 0.695 41.530 40.800 0.059 0.000 1.408 41 D HN 0.345 nan 8.370 nan 0.000 0.441 42 I N -1.458 119.150 120.570 0.063 0.000 2.943 42 I HA 0.203 4.377 4.170 0.006 0.000 0.296 42 I C -2.113 174.056 176.117 0.085 0.000 1.220 42 I CA -0.836 60.503 61.300 0.064 0.000 1.409 42 I CB -0.478 37.554 38.000 0.053 0.000 1.374 42 I HN 0.193 nan 8.210 nan 0.000 0.545 43 P HA 0.251 nan 4.420 nan 0.000 0.274 43 P C -0.208 177.155 177.300 0.104 0.000 1.246 43 P CA -0.334 62.837 63.100 0.119 0.000 0.795 43 P CB 0.817 32.560 31.700 0.072 0.000 1.006 44 T N -1.662 112.996 114.554 0.173 0.000 2.922 44 T HA 0.576 4.929 4.350 0.006 0.000 0.281 44 T C 0.233 174.966 174.700 0.055 0.000 1.005 44 T CA -0.921 61.272 62.100 0.156 0.000 0.982 44 T CB 0.257 69.276 68.868 0.251 0.000 1.158 44 T HN 0.094 nan 8.240 nan 0.000 0.566 45 L N 0.679 121.959 121.223 0.096 0.000 2.452 45 L HA 0.473 4.817 4.340 0.006 0.000 0.267 45 L C 1.394 178.351 176.870 0.146 0.000 1.188 45 L CA -0.642 54.232 54.840 0.057 0.000 0.821 45 L CB 0.269 42.377 42.059 0.082 0.000 1.102 45 L HN 1.016 nan 8.230 nan 0.000 0.470 46 G N 0.968 109.824 108.800 0.092 0.000 2.985 46 G HA2 0.297 4.260 3.960 0.006 0.000 0.282 46 G HA3 0.297 4.260 3.960 0.006 0.000 0.282 46 G C 0.931 175.979 174.900 0.246 0.000 0.791 46 G CA -0.281 44.967 45.100 0.248 0.000 1.934 46 G HN 0.610 nan 8.290 nan 0.000 0.563 47 V N 0.426 120.526 119.914 0.311 0.000 3.444 47 V HA 0.430 4.553 4.120 0.006 0.000 0.271 47 V C 1.237 177.581 176.094 0.417 0.000 1.188 47 V CA 0.120 62.646 62.300 0.376 0.000 1.168 47 V CB -1.537 30.599 31.823 0.523 0.000 0.810 47 V HN 1.457 nan 8.190 nan 0.000 0.500 48 G N -0.112 108.854 108.800 0.276 0.000 2.721 48 G HA2 -0.058 3.905 3.960 0.006 0.000 0.686 48 G HA3 -0.058 3.905 3.960 0.006 0.000 0.686 48 G C -0.834 174.059 174.900 -0.012 0.000 1.236 48 G CA -0.319 44.879 45.100 0.163 0.000 0.786 48 G HN 0.539 nan 8.290 nan 0.000 0.616 49 E N -0.141 119.999 120.200 -0.100 0.000 2.275 49 E HA 0.653 5.007 4.350 0.006 0.000 0.270 49 E C 0.195 176.627 176.600 -0.280 0.000 0.882 49 E CA -0.246 56.017 56.400 -0.229 0.000 0.758 49 E CB 2.200 31.776 29.700 -0.206 0.000 1.195 49 E HN 1.278 nan 8.360 nan 0.000 0.419 50 A N 1.821 124.569 122.820 -0.119 0.000 2.312 50 A HA 0.796 5.120 4.320 0.006 0.000 0.328 50 A C 0.172 177.815 177.584 0.099 0.000 1.158 50 A CA -0.336 51.768 52.037 0.111 0.000 0.821 50 A CB 1.017 20.142 19.000 0.208 0.000 1.170 50 A HN 0.636 nan 8.150 nan 0.000 0.490 51 T N -1.309 113.383 114.554 0.229 0.000 2.693 51 T HA 0.780 5.134 4.350 0.006 0.000 0.278 51 T C -0.124 174.782 174.700 0.343 0.000 0.994 51 T CA -0.261 62.030 62.100 0.318 0.000 1.033 51 T CB 0.760 69.921 68.868 0.488 0.000 1.342 51 T HN 1.242 nan 8.240 nan 0.000 0.538 52 I N -2.772 117.977 120.570 0.298 0.000 2.892 52 I HA 0.572 4.745 4.170 0.006 0.000 0.306 52 I C -2.486 173.575 176.117 -0.094 0.000 1.078 52 I CA -3.322 57.960 61.300 -0.031 0.000 1.032 52 I CB 2.097 40.144 38.000 0.079 0.000 1.229 52 I HN 0.287 nan 8.210 nan 0.000 0.435 53 P HA -0.233 nan 4.420 nan 0.000 0.218 53 P C 0.819 178.129 177.300 0.016 0.000 1.154 53 P CA 2.069 64.848 63.100 -0.535 0.000 0.872 53 P CB -0.274 30.641 31.700 -1.308 0.000 0.790 54 N N -0.624 118.161 118.700 0.142 0.000 2.609 54 N HA -0.111 4.633 4.740 0.006 0.000 0.190 54 N C 1.360 177.004 175.510 0.222 0.000 1.157 54 N CA 0.421 53.649 53.050 0.297 0.000 0.918 54 N CB -1.390 37.395 38.487 0.497 0.000 0.978 54 N HN 0.108 nan 8.380 nan 0.000 0.448 55 L N -0.207 121.183 121.223 0.279 0.000 2.046 55 L HA -0.131 4.212 4.340 0.006 0.000 0.208 55 L C 2.335 179.179 176.870 -0.044 0.000 1.077 55 L CA 1.819 56.650 54.840 -0.016 0.000 0.747 55 L CB -0.833 41.382 42.059 0.260 0.000 0.896 55 L HN 0.239 nan 8.230 nan 0.000 0.432 56 Q N -0.716 119.183 119.800 0.166 0.000 2.062 56 Q HA -0.127 4.216 4.340 0.006 0.000 0.196 56 Q C 2.234 178.325 176.000 0.151 0.000 0.967 56 Q CA 2.503 58.425 55.803 0.199 0.000 0.832 56 Q CB -0.534 28.396 28.738 0.320 0.000 0.899 56 Q HN 0.681 nan 8.270 nan 0.000 0.442 57 T N -2.319 112.328 114.554 0.154 0.000 2.904 57 T HA 0.083 4.436 4.350 0.006 0.000 0.267 57 T C 1.703 176.455 174.700 0.087 0.000 1.059 57 T CA 1.061 63.241 62.100 0.134 0.000 1.137 57 T CB -0.316 68.654 68.868 0.170 0.000 0.879 57 T HN 0.260 nan 8.240 nan 0.000 0.467 58 A N -0.832 121.992 122.820 0.007 0.000 2.115 58 A HA 0.515 4.838 4.320 0.006 0.000 0.211 58 A C 1.655 179.142 177.584 -0.162 0.000 1.169 58 A CA 0.079 52.024 52.037 -0.153 0.000 0.787 58 A CB -0.375 18.390 19.000 -0.391 0.000 0.858 58 A HN 0.479 nan 8.150 nan 0.000 0.474 59 F N -1.662 118.020 119.950 -0.447 0.000 2.515 59 F HA 0.305 4.835 4.527 0.006 0.000 0.267 59 F C 1.600 177.212 175.800 -0.313 0.000 0.923 59 F CA 0.218 57.928 58.000 -0.483 0.000 1.107 59 F CB -0.328 38.050 39.000 -1.037 0.000 1.175 59 F HN 0.104 nan 8.300 nan 0.000 0.742 60 F N 1.626 121.366 119.950 -0.350 0.000 2.171 60 F HA -0.172 4.358 4.527 0.005 0.000 0.300 60 F C 2.259 177.903 175.800 -0.259 0.000 1.090 60 F CA 1.705 59.447 58.000 -0.431 0.000 1.293 60 F CB -0.877 37.894 39.000 -0.383 0.000 1.013 60 F HN 0.063 nan 8.300 nan 0.000 0.486 61 D N -0.723 119.703 120.400 0.044 0.000 2.178 61 D HA -0.193 4.450 4.640 0.006 0.000 0.202 61 D C 2.101 178.391 176.300 -0.017 0.000 0.974 61 D CA 0.893 54.914 54.000 0.036 0.000 0.841 61 D CB -0.565 40.282 40.800 0.078 0.000 0.953 61 D HN 0.242 nan 8.370 nan 0.000 0.478 62 F N 1.052 120.890 119.950 -0.186 0.000 2.186 62 F HA -0.051 4.479 4.527 0.005 0.000 0.299 62 F C 1.973 177.597 175.800 -0.294 0.000 1.090 62 F CA 0.958 58.816 58.000 -0.236 0.000 1.307 62 F CB -0.062 38.766 39.000 -0.287 0.000 1.019 62 F HN -0.111 nan 8.300 nan 0.000 0.489 63 L N -0.385 120.657 121.223 -0.302 0.000 2.395 63 L HA 0.153 4.496 4.340 0.006 0.000 0.218 63 L C 1.708 178.443 176.870 -0.225 0.000 1.130 63 L CA 0.772 55.419 54.840 -0.322 0.000 0.826 63 L CB -1.008 40.758 42.059 -0.488 0.000 0.941 63 L HN 0.392 nan 8.230 nan 0.000 0.451 64 G N 1.107 109.795 108.800 -0.187 0.000 2.142 64 G HA2 -0.252 3.712 3.960 0.006 0.000 0.225 64 G HA3 -0.252 3.712 3.960 0.006 0.000 0.225 64 G C 0.004 174.861 174.900 -0.071 0.000 1.015 64 G CA -0.318 44.718 45.100 -0.108 0.000 0.716 64 G HN 0.281 nan 8.290 nan 0.000 0.508 65 I N 1.248 121.776 120.570 -0.071 0.000 2.328 65 I HA 0.294 4.468 4.170 0.006 0.000 0.287 65 I C -2.045 174.111 176.117 0.065 0.000 1.012 65 I CA -2.485 58.809 61.300 -0.010 0.000 1.195 65 I CB 1.781 39.776 38.000 -0.008 0.000 1.350 65 I HN -0.149 nan 8.210 nan 0.000 0.464 66 P HA -0.025 nan 4.420 nan 0.000 0.267 66 P C 0.703 178.009 177.300 0.010 0.000 1.200 66 P CA 0.011 63.132 63.100 0.034 0.000 0.772 66 P CB 0.787 32.488 31.700 0.003 0.000 0.855 67 E N 1.701 121.901 120.200 -0.001 0.000 2.085 67 E HA -0.278 4.075 4.350 0.006 0.000 0.194 67 E C 0.839 177.114 176.600 -0.541 0.000 0.994 67 E CA 1.522 57.800 56.400 -0.203 0.000 0.801 67 E CB -0.088 29.644 29.700 0.053 0.000 0.743 67 E HN 0.396 nan 8.360 nan 0.000 0.453 68 D N 0.364 120.607 120.400 -0.262 0.000 2.123 68 D HA -0.195 4.448 4.640 0.006 0.000 0.196 68 D C 1.774 177.870 176.300 -0.340 0.000 0.992 68 D CA 1.127 54.962 54.000 -0.274 0.000 0.833 68 D CB -0.276 40.443 40.800 -0.134 0.000 0.954 68 D HN 0.354 nan 8.370 nan 0.000 0.455 69 E N 0.163 120.215 120.200 -0.247 0.000 2.023 69 E HA -0.154 4.199 4.350 0.006 0.000 0.196 69 E C 2.269 178.667 176.600 -0.336 0.000 1.003 69 E CA 1.347 57.642 56.400 -0.175 0.000 0.809 69 E CB -0.208 29.481 29.700 -0.017 0.000 0.755 69 E HN 0.512 nan 8.360 nan 0.000 0.449 70 W N 1.385 122.295 121.300 -0.651 0.000 2.453 70 W HA -0.095 4.568 4.660 0.005 0.000 0.289 70 W C 1.961 177.968 176.519 -0.854 0.000 1.215 70 W CA 1.007 57.636 57.345 -1.193 0.000 1.297 70 W CB -0.680 27.816 29.460 -1.608 0.000 1.113 70 W HN 0.116 nan 8.180 nan 0.000 0.551 71 M N 0.837 119.470 119.600 -1.611 0.000 2.394 71 M HA 0.084 4.568 4.480 0.006 0.000 0.264 71 M C 2.093 178.092 176.300 -0.502 0.000 1.073 71 M CA 1.470 55.988 55.300 -1.303 0.000 1.111 71 M CB -0.566 31.151 32.600 -1.473 0.000 1.401 71 M HN -0.149 nan 8.290 nan 0.000 0.448 72 R N 0.688 120.937 120.500 -0.418 0.000 2.093 72 R HA -0.004 4.339 4.340 0.006 0.000 0.224 72 R C 2.008 178.264 176.300 -0.072 0.000 1.101 72 R CA 1.487 57.499 56.100 -0.146 0.000 0.979 72 R CB -0.232 29.951 30.300 -0.196 0.000 0.877 72 R HN 0.575 nan 8.270 nan 0.000 0.441 73 E N -0.267 119.829 120.200 -0.174 0.000 2.347 73 E HA -0.107 4.247 4.350 0.006 0.000 0.196 73 E C 0.476 177.030 176.600 -0.077 0.000 1.008 73 E CA 0.521 56.863 56.400 -0.096 0.000 0.852 73 E CB 0.257 29.904 29.700 -0.089 0.000 0.783 73 E HN 0.274 nan 8.360 nan 0.000 0.505 74 C N 1.392 120.617 119.300 -0.125 0.000 3.000 74 C HA 0.226 4.689 4.460 0.006 0.000 0.286 74 C C -0.032 174.978 174.990 0.034 0.000 1.343 74 C CA -0.727 58.269 59.018 -0.036 0.000 1.742 74 C CB -1.138 26.565 27.740 -0.062 0.000 2.200 74 C HN 0.381 nan 8.230 nan 0.000 0.621 75 N N 1.615 120.322 118.700 0.011 0.000 2.699 75 N HA -0.181 4.562 4.740 0.006 0.000 0.256 75 N C 0.023 175.541 175.510 0.013 0.000 0.993 75 N CA 1.182 54.198 53.050 -0.057 0.000 0.759 75 N CB -0.924 37.517 38.487 -0.077 0.000 0.906 75 N HN 0.743 nan 8.380 nan 0.000 0.541 76 A N -0.726 122.158 122.820 0.106 0.000 2.286 76 A HA 0.691 5.014 4.320 0.006 0.000 0.286 76 A C 0.704 178.366 177.584 0.130 0.000 1.097 76 A CA -0.032 52.130 52.037 0.208 0.000 0.821 76 A CB 1.244 20.393 19.000 0.248 0.000 1.076 76 A HN 0.291 nan 8.150 nan 0.000 0.490 77 S N -1.117 114.668 115.700 0.141 0.000 2.759 77 S HA 0.753 5.226 4.470 0.006 0.000 0.310 77 S C -1.344 173.176 174.600 -0.132 0.000 1.123 77 S CA -0.428 57.759 58.200 -0.021 0.000 0.959 77 S CB 0.438 63.711 63.200 0.122 0.000 1.172 77 S HN 0.449 nan 8.310 nan 0.000 0.539 78 Y N 1.434 121.726 120.300 -0.013 0.000 2.387 78 Y HA 0.571 5.125 4.550 0.007 0.000 0.330 78 Y C 0.386 176.073 175.900 -0.355 0.000 1.133 78 Y CA -0.665 57.294 58.100 -0.235 0.000 1.152 78 Y CB 1.104 39.341 38.460 -0.372 0.000 1.215 78 Y HN 0.509 nan 8.280 nan 0.000 0.466 79 K N 1.512 121.796 120.400 -0.194 0.000 2.426 79 K HA 0.573 4.897 4.320 0.006 0.000 0.254 79 K C -1.048 175.617 176.600 0.108 0.000 0.936 79 K CA -0.363 55.801 56.287 -0.205 0.000 0.801 79 K CB 1.478 33.755 32.500 -0.372 0.000 1.139 79 K HN 0.611 nan 8.250 nan 0.000 0.424 80 V N 1.925 121.898 119.914 0.098 0.000 3.635 80 V HA 0.352 4.475 4.120 0.006 0.000 0.266 80 V C 0.155 176.175 176.094 -0.123 0.000 1.316 80 V CA 0.720 63.079 62.300 0.098 0.000 1.060 80 V CB 0.516 32.349 31.823 0.017 0.000 0.820 80 V HN 0.864 nan 8.190 nan 0.000 0.447 81 A N -0.480 122.253 122.820 -0.145 0.000 2.483 81 A HA 0.718 5.041 4.320 0.006 0.000 0.294 81 A C -1.834 175.714 177.584 -0.059 0.000 1.077 81 A CA -0.479 51.379 52.037 -0.299 0.000 0.633 81 A CB 0.822 19.707 19.000 -0.192 0.000 1.318 81 A HN 0.033 nan 8.150 nan 0.000 0.455 82 I N 0.915 121.440 120.570 -0.074 0.000 2.406 82 I HA 0.410 4.583 4.170 0.006 0.000 0.290 82 I C -0.064 175.970 176.117 -0.139 0.000 0.999 82 I CA -0.448 60.802 61.300 -0.083 0.000 1.124 82 I CB 1.948 39.828 38.000 -0.200 0.000 1.289 82 I HN 0.639 nan 8.210 nan 0.000 0.441 83 K N 6.896 127.153 120.400 -0.238 0.000 2.316 83 K HA 0.428 4.751 4.320 0.006 0.000 0.267 83 K C -1.352 174.913 176.600 -0.560 0.000 1.025 83 K CA -0.464 55.524 56.287 -0.498 0.000 0.896 83 K CB 0.650 32.708 32.500 -0.735 0.000 1.124 83 K HN 0.287 nan 8.250 nan 0.000 0.451 84 F N 5.522 125.067 119.950 -0.676 0.000 2.424 84 F HA 0.330 4.860 4.527 0.005 0.000 0.356 84 F C 0.293 175.881 175.800 -0.354 0.000 1.110 84 F CA -0.388 57.176 58.000 -0.728 0.000 1.161 84 F CB 0.611 38.553 39.000 -1.764 0.000 1.115 84 F HN 0.275 nan 8.300 nan 0.000 0.507 85 I N 4.270 124.981 120.570 0.235 0.000 2.433 85 I HA 0.255 4.429 4.170 0.006 0.000 0.292 85 I C -0.197 176.114 176.117 0.323 0.000 1.001 85 I CA -0.807 60.632 61.300 0.232 0.000 1.119 85 I CB 1.339 39.415 38.000 0.127 0.000 1.289 85 I HN 0.566 nan 8.210 nan 0.000 0.438 86 N N 3.972 122.802 118.700 0.217 0.000 2.747 86 N HA -0.221 4.522 4.740 0.006 0.000 0.249 86 N C 0.000 175.523 175.510 0.021 0.000 1.107 86 N CA 0.901 54.006 53.050 0.093 0.000 0.707 86 N CB -1.052 37.435 38.487 0.001 0.000 1.054 86 N HN 0.716 nan 8.380 nan 0.000 0.555 87 W N 0.176 121.482 121.300 0.011 0.000 3.003 87 W HA 0.177 4.840 4.660 0.007 0.000 0.257 87 W C 1.976 178.399 176.519 -0.160 0.000 1.308 87 W CA 0.282 57.591 57.345 -0.060 0.000 1.529 87 W CB 0.172 29.703 29.460 0.118 0.000 1.115 87 W HN 0.115 nan 8.180 nan 0.000 0.659 88 R N -0.806 119.759 120.500 0.108 0.000 2.365 88 R HA 0.124 4.467 4.340 0.006 0.000 0.223 88 R C 0.475 176.743 176.300 -0.054 0.000 0.899 88 R CA 0.542 56.655 56.100 0.022 0.000 1.059 88 R CB 0.268 30.619 30.300 0.084 0.000 1.086 88 R HN -0.085 nan 8.270 nan 0.000 0.522 89 T N -1.754 112.752 114.554 -0.079 0.000 2.856 89 T HA 0.719 5.073 4.350 0.006 0.000 0.283 89 T C 0.032 174.654 174.700 -0.129 0.000 1.008 89 T CA -0.971 61.080 62.100 -0.081 0.000 0.997 89 T CB 2.257 71.104 68.868 -0.036 0.000 0.992 89 T HN 0.070 nan 8.240 nan 0.000 0.454 90 A N 1.550 124.310 122.820 -0.099 0.000 2.386 90 A HA 0.832 5.155 4.320 0.006 0.000 0.248 90 A C 0.979 178.530 177.584 -0.056 0.000 1.082 90 A CA 0.343 52.328 52.037 -0.086 0.000 0.789 90 A CB -0.504 18.467 19.000 -0.048 0.000 1.025 90 A HN 2.117 nan 8.150 nan 0.000 0.490 91 G N 0.290 109.070 108.800 -0.034 0.000 2.369 91 G HA2 0.342 4.305 3.960 0.006 0.000 0.295 91 G HA3 0.342 4.305 3.960 0.006 0.000 0.295 91 G C -1.029 173.863 174.900 -0.013 0.000 1.298 91 G CA -0.783 44.303 45.100 -0.022 0.000 0.940 91 G HN 0.716 nan 8.290 nan 0.000 0.536 92 E N -0.504 119.678 120.200 -0.029 0.000 2.376 92 E HA 0.478 4.832 4.350 0.006 0.000 0.254 92 E C 0.930 177.479 176.600 -0.086 0.000 1.213 92 E CA 0.260 56.632 56.400 -0.046 0.000 0.945 92 E CB 0.694 30.358 29.700 -0.060 0.000 1.057 92 E HN 0.966 nan 8.360 nan 0.000 0.479 93 G N 0.417 109.135 108.800 -0.136 0.000 2.394 93 G HA2 0.267 4.231 3.960 0.006 0.000 0.298 93 G HA3 0.267 4.231 3.960 0.006 0.000 0.298 93 G C -0.145 174.595 174.900 -0.266 0.000 1.087 93 G CA 0.061 45.033 45.100 -0.214 0.000 1.035 93 G HN 0.216 nan 8.290 nan 0.000 0.420 94 T N -0.026 114.388 114.554 -0.233 0.000 2.906 94 T HA 0.444 4.797 4.350 0.006 0.000 0.295 94 T C 1.497 176.030 174.700 -0.277 0.000 1.061 94 T CA 0.119 62.060 62.100 -0.265 0.000 1.000 94 T CB 1.532 70.305 68.868 -0.157 0.000 1.103 94 T HN 0.573 nan 8.240 nan 0.000 0.486 95 S N 1.859 117.345 115.700 -0.357 0.000 2.562 95 S HA 0.197 4.671 4.470 0.006 0.000 0.221 95 S C 0.299 174.852 174.600 -0.078 0.000 0.975 95 S CA -0.001 58.025 58.200 -0.289 0.000 0.918 95 S CB -0.323 62.635 63.200 -0.404 0.000 0.772 95 S HN 0.743 nan 8.310 nan 0.000 0.531 96 E N 1.428 121.591 120.200 -0.061 0.000 2.175 96 E HA 0.634 4.988 4.350 0.006 0.000 0.278 96 E C -0.522 176.084 176.600 0.011 0.000 0.969 96 E CA -0.589 55.810 56.400 -0.000 0.000 0.796 96 E CB 1.630 31.335 29.700 0.009 0.000 1.104 96 E HN 0.409 nan 8.360 nan 0.000 0.395 97 A N 3.955 126.802 122.820 0.045 0.000 2.488 97 A HA 0.137 4.461 4.320 0.006 0.000 0.249 97 A C 0.172 177.785 177.584 0.048 0.000 1.083 97 A CA 0.048 52.124 52.037 0.066 0.000 0.768 97 A CB 0.257 19.335 19.000 0.129 0.000 1.017 97 A HN 0.610 nan 8.150 nan 0.000 0.496 98 R N 1.102 121.622 120.500 0.033 0.000 2.583 98 R HA 0.286 4.629 4.340 0.006 0.000 0.268 98 R C -0.299 176.014 176.300 0.023 0.000 1.101 98 R CA -0.671 55.440 56.100 0.018 0.000 1.180 98 R CB 0.464 30.765 30.300 0.001 0.000 1.128 98 R HN 0.694 nan 8.270 nan 0.000 0.568 99 E N 1.386 121.594 120.200 0.012 0.000 2.331 99 E HA 0.226 4.580 4.350 0.006 0.000 0.272 99 E C -0.924 175.676 176.600 0.001 0.000 1.036 99 E CA -0.449 55.956 56.400 0.007 0.000 0.864 99 E CB 1.281 30.983 29.700 0.004 0.000 1.035 99 E HN 0.155 nan 8.360 nan 0.000 0.408 100 L N 2.645 123.866 121.223 -0.004 0.000 2.562 100 L HA 0.260 4.604 4.340 0.006 0.000 0.266 100 L C -1.092 175.771 176.870 -0.011 0.000 0.949 100 L CA -0.247 54.591 54.840 -0.004 0.000 0.879 100 L CB 1.429 43.492 42.059 0.006 0.000 1.278 100 L HN 0.367 nan 8.230 nan 0.000 0.404 101 D N 4.605 125.000 120.400 -0.009 0.000 2.686 101 D HA -0.186 4.457 4.640 0.006 0.000 0.235 101 D C 1.089 177.378 176.300 -0.019 0.000 1.160 101 D CA 1.771 55.765 54.000 -0.011 0.000 0.645 101 D CB -0.973 39.825 40.800 -0.004 0.000 1.039 101 D HN 1.392 nan 8.370 nan 0.000 0.423 102 G N -1.571 107.218 108.800 -0.018 0.000 2.148 102 G HA2 -0.024 3.939 3.960 0.006 0.000 0.254 102 G HA3 -0.024 3.939 3.960 0.006 0.000 0.254 102 G C 0.547 175.428 174.900 -0.031 0.000 0.981 102 G CA 0.482 45.569 45.100 -0.022 0.000 0.670 102 G HN 1.153 nan 8.290 nan 0.000 0.528 103 G N -1.029 107.749 108.800 -0.036 0.000 2.649 103 G HA2 0.815 4.778 3.960 0.006 0.000 0.290 103 G HA3 0.815 4.778 3.960 0.006 0.000 0.290 103 G C -3.156 171.719 174.900 -0.042 0.000 1.426 103 G CA -0.356 44.713 45.100 -0.052 0.000 0.794 103 G HN 0.270 nan 8.290 nan 0.000 0.483 104 P HA 0.150 nan 4.420 nan 0.000 0.271 104 P C -0.853 176.428 177.300 -0.032 0.000 1.216 104 P CA 0.001 63.116 63.100 0.024 0.000 0.776 104 P CB 1.377 33.169 31.700 0.154 0.000 0.881 105 D N 3.206 123.630 120.400 0.040 0.000 2.498 105 D HA 0.042 4.685 4.640 0.006 0.000 0.229 105 D C -0.112 176.267 176.300 0.132 0.000 1.188 105 D CA 0.237 54.273 54.000 0.061 0.000 1.028 105 D CB -0.777 40.068 40.800 0.075 0.000 1.087 105 D HN 0.458 nan 8.370 nan 0.000 0.510 106 H N 0.461 119.571 119.070 0.066 0.000 3.037 106 H HA 0.537 5.096 4.556 0.005 0.000 0.355 106 H C -1.497 173.856 175.328 0.042 0.000 1.263 106 H CA -1.070 54.949 56.048 -0.050 0.000 1.129 106 H CB 0.771 30.415 29.762 -0.198 0.000 1.861 106 H HN 0.109 nan 8.280 nan 0.000 0.546 107 F N -0.297 119.673 119.950 0.034 0.000 2.654 107 F HA 0.617 5.147 4.527 0.005 0.000 0.308 107 F C -2.386 173.350 175.800 -0.106 0.000 1.108 107 F CA -1.253 56.739 58.000 -0.013 0.000 0.957 107 F CB 1.038 40.026 39.000 -0.020 0.000 1.309 107 F HN 0.400 nan 8.300 nan 0.000 0.446 108 Y N 0.844 121.274 120.300 0.217 0.000 2.420 108 Y HA 0.430 4.984 4.550 0.007 0.000 0.334 108 Y C -0.342 175.606 175.900 0.081 0.000 1.094 108 Y CA -0.716 57.396 58.100 0.020 0.000 1.126 108 Y CB 1.427 39.767 38.460 -0.200 0.000 1.217 108 Y HN 0.849 nan 8.280 nan 0.000 0.462 109 H N 1.891 121.042 119.070 0.134 0.000 2.786 109 H HA 0.497 5.056 4.556 0.006 0.000 0.284 109 H C -1.002 174.218 175.328 -0.179 0.000 1.104 109 H CA -0.514 55.545 56.048 0.018 0.000 1.339 109 H CB 0.506 30.383 29.762 0.193 0.000 1.427 109 H HN 0.723 nan 8.280 nan 0.000 0.497 110 S N 3.478 119.024 115.700 -0.257 0.000 2.672 110 S HA 0.271 4.744 4.470 0.006 0.000 0.276 110 S C -0.308 174.145 174.600 -0.245 0.000 1.207 110 S CA -0.710 57.267 58.200 -0.371 0.000 1.002 110 S CB 0.805 63.812 63.200 -0.322 0.000 0.998 110 S HN 0.323 nan 8.310 nan 0.000 0.542 111 F N 1.238 121.191 119.950 0.005 0.000 2.399 111 F HA 0.614 5.145 4.527 0.005 0.000 0.313 111 F C 1.437 177.374 175.800 0.228 0.000 1.202 111 F CA 0.649 58.702 58.000 0.089 0.000 1.192 111 F CB -0.190 38.790 39.000 -0.033 0.000 1.256 111 F HN 0.906 nan 8.300 nan 0.000 0.558 112 G N 0.008 109.162 108.800 0.589 0.000 2.549 112 G HA2 -0.018 3.945 3.960 0.006 0.000 0.404 112 G HA3 -0.018 3.945 3.960 0.006 0.000 0.404 112 G C -1.928 173.026 174.900 0.090 0.000 1.292 112 G CA -0.990 44.317 45.100 0.346 0.000 0.935 112 G HN 0.657 nan 8.290 nan 0.000 0.512 113 L N -0.355 120.823 121.223 -0.076 0.000 2.381 113 L HA 0.606 4.949 4.340 0.006 0.000 0.268 113 L C 0.663 177.376 176.870 -0.262 0.000 0.997 113 L CA -1.000 53.713 54.840 -0.211 0.000 0.818 113 L CB 1.958 43.815 42.059 -0.336 0.000 1.310 113 L HN 0.599 nan 8.230 nan 0.000 0.416 114 L N 2.449 123.497 121.223 -0.292 0.000 2.485 114 L HA 0.134 4.477 4.340 0.006 0.000 0.275 114 L C 0.597 177.239 176.870 -0.380 0.000 1.207 114 L CA 0.161 54.780 54.840 -0.368 0.000 0.855 114 L CB 0.398 42.306 42.059 -0.252 0.000 1.114 114 L HN 0.572 nan 8.230 nan 0.000 0.485 115 K N 2.200 122.403 120.400 -0.328 0.000 2.295 115 K HA 0.132 4.456 4.320 0.006 0.000 0.270 115 K C -1.081 175.387 176.600 -0.219 0.000 1.011 115 K CA -0.367 55.775 56.287 -0.241 0.000 0.953 115 K CB 0.536 32.918 32.500 -0.197 0.000 0.956 115 K HN 0.246 nan 8.250 nan 0.000 0.477 116 Y N 1.811 122.069 120.300 -0.070 0.000 2.308 116 Y HA 0.167 4.720 4.550 0.004 0.000 0.329 116 Y C -0.232 175.676 175.900 0.013 0.000 1.111 116 Y CA -0.129 57.955 58.100 -0.027 0.000 1.179 116 Y CB 1.066 39.502 38.460 -0.039 0.000 1.201 116 Y HN 0.595 nan 8.280 nan 0.000 0.483 117 H N 3.593 122.743 119.070 0.134 0.000 2.800 117 H HA 0.305 4.864 4.556 0.005 0.000 0.322 117 H C -0.703 174.693 175.328 0.113 0.000 0.979 117 H CA -0.855 55.175 56.048 -0.030 0.000 1.277 117 H CB 0.462 29.978 29.762 -0.409 0.000 1.484 117 H HN 0.624 nan 8.280 nan 0.000 0.512 118 E N 4.584 124.617 120.200 -0.279 0.000 2.320 118 E HA -0.299 4.054 4.350 0.006 0.000 0.234 118 E C 0.042 176.616 176.600 -0.044 0.000 1.183 118 E CA 1.138 57.424 56.400 -0.190 0.000 0.713 118 E CB -1.522 28.041 29.700 -0.228 0.000 1.226 118 E HN 1.047 nan 8.360 nan 0.000 0.382 119 Q N -2.638 117.127 119.800 -0.058 0.000 2.374 119 Q HA -0.224 4.120 4.340 0.006 0.000 0.218 119 Q C 0.150 176.154 176.000 0.007 0.000 0.691 119 Q CA 1.591 57.304 55.803 -0.149 0.000 1.340 119 Q CB -0.950 27.700 28.738 -0.147 0.000 1.498 119 Q HN 0.567 nan 8.270 nan 0.000 0.739 120 I N 0.652 121.358 120.570 0.228 0.000 2.509 120 I HA 0.371 4.544 4.170 0.006 0.000 0.293 120 I C -2.318 173.966 176.117 0.279 0.000 1.020 120 I CA -2.535 58.880 61.300 0.192 0.000 1.088 120 I CB 1.881 39.901 38.000 0.033 0.000 1.267 120 I HN -0.264 nan 8.210 nan 0.000 0.430 121 P HA -0.004 nan 4.420 nan 0.000 0.268 121 P C 0.578 177.904 177.300 0.044 0.000 1.205 121 P CA -0.310 62.661 63.100 -0.215 0.000 0.771 121 P CB 0.712 32.202 31.700 -0.349 0.000 0.858 122 L N 3.781 125.022 121.223 0.029 0.000 2.129 122 L HA -0.236 4.107 4.340 0.006 0.000 0.212 122 L C 2.108 179.183 176.870 0.343 0.000 1.087 122 L CA 2.339 57.256 54.840 0.127 0.000 0.757 122 L CB -1.473 40.488 42.059 -0.163 0.000 0.896 122 L HN 0.422 nan 8.230 nan 0.000 0.434 123 S N -1.976 113.861 115.700 0.228 0.000 2.387 123 S HA -0.289 4.184 4.470 0.006 0.000 0.230 123 S C 1.930 176.709 174.600 0.299 0.000 1.035 123 S CA 1.612 59.931 58.200 0.197 0.000 1.014 123 S CB -1.146 61.633 63.200 -0.701 0.000 0.836 123 S HN 0.692 nan 8.310 nan 0.000 0.466 124 H N -0.626 118.463 119.070 0.032 0.000 2.395 124 H HA -0.001 4.559 4.556 0.006 0.000 0.299 124 H C 1.875 177.262 175.328 0.100 0.000 1.070 124 H CA 1.504 57.577 56.048 0.042 0.000 1.356 124 H CB -0.195 29.506 29.762 -0.102 0.000 1.401 124 H HN 0.479 nan 8.280 nan 0.000 0.524 125 Y N -0.330 120.196 120.300 0.376 0.000 2.200 125 Y HA -0.244 4.310 4.550 0.007 0.000 0.290 125 Y C 2.545 178.701 175.900 0.428 0.000 1.137 125 Y CA 1.079 59.394 58.100 0.358 0.000 1.163 125 Y CB -0.502 38.164 38.460 0.344 0.000 0.988 125 Y HN 0.300 nan 8.280 nan 0.000 0.518 126 W N 0.159 121.837 121.300 0.630 0.000 2.333 126 W HA -0.322 4.341 4.660 0.005 0.000 0.316 126 W C 2.173 178.861 176.519 0.282 0.000 1.215 126 W CA 1.796 59.402 57.345 0.436 0.000 1.278 126 W CB -1.045 28.728 29.460 0.522 0.000 1.154 126 W HN 0.103 nan 8.180 nan 0.000 0.486 127 F N 1.994 121.851 119.950 -0.156 0.000 2.171 127 F HA -0.164 4.366 4.527 0.005 0.000 0.300 127 F C 2.118 177.702 175.800 -0.360 0.000 1.090 127 F CA 2.411 60.053 58.000 -0.597 0.000 1.293 127 F CB -1.121 37.798 39.000 -0.135 0.000 1.013 127 F HN 0.032 nan 8.300 nan 0.000 0.486 128 D N -0.116 120.102 120.400 -0.304 0.000 2.104 128 D HA -0.213 4.430 4.640 0.006 0.000 0.194 128 D C 2.275 178.383 176.300 -0.319 0.000 0.994 128 D CA 1.801 55.608 54.000 -0.322 0.000 0.830 128 D CB -0.099 40.637 40.800 -0.106 0.000 0.959 128 D HN 0.281 nan 8.370 nan 0.000 0.452 129 R N -0.168 120.172 120.500 -0.267 0.000 2.075 129 R HA -0.017 4.326 4.340 0.006 0.000 0.232 129 R C 2.580 178.660 176.300 -0.366 0.000 1.126 129 R CA 1.227 57.174 56.100 -0.256 0.000 0.963 129 R CB -0.544 29.626 30.300 -0.217 0.000 0.858 129 R HN 0.083 nan 8.270 nan 0.000 0.435 130 S N 0.042 115.386 115.700 -0.594 0.000 2.356 130 S HA -0.214 4.260 4.470 0.006 0.000 0.223 130 S C 1.824 176.149 174.600 -0.458 0.000 1.032 130 S CA 1.131 58.993 58.200 -0.564 0.000 1.005 130 S CB -0.299 62.367 63.200 -0.890 0.000 0.867 130 S HN 0.464 nan 8.310 nan 0.000 0.449 131 Y N 1.803 121.622 120.300 -0.802 0.000 2.274 131 Y HA 0.087 4.640 4.550 0.006 0.000 0.290 131 Y C 1.974 177.632 175.900 -0.402 0.000 1.145 131 Y CA 1.448 59.130 58.100 -0.695 0.000 1.203 131 Y CB -0.028 37.770 38.460 -1.103 0.000 0.984 131 Y HN 0.198 nan 8.280 nan 0.000 0.533 132 R N -0.184 120.188 120.500 -0.213 0.000 2.426 132 R HA 0.196 4.540 4.340 0.006 0.000 0.263 132 R C 1.207 177.395 176.300 -0.186 0.000 0.961 132 R CA 0.492 56.492 56.100 -0.167 0.000 1.086 132 R CB -0.173 30.079 30.300 -0.079 0.000 1.186 132 R HN 0.485 nan 8.270 nan 0.000 0.537 133 G N 1.853 110.520 108.800 -0.222 0.000 2.203 133 G HA2 -0.369 3.594 3.960 0.006 0.000 0.263 133 G HA3 -0.369 3.594 3.960 0.006 0.000 0.263 133 G C 0.838 175.656 174.900 -0.137 0.000 1.012 133 G CA 0.908 45.905 45.100 -0.172 0.000 0.749 133 G HN 0.294 nan 8.290 nan 0.000 0.512 134 K N -0.634 119.676 120.400 -0.150 0.000 2.365 134 K HA 0.303 4.626 4.320 0.006 0.000 0.197 134 K C 1.135 177.661 176.600 -0.124 0.000 1.042 134 K CA 1.355 57.569 56.287 -0.123 0.000 0.987 134 K CB 0.199 32.626 32.500 -0.122 0.000 0.779 134 K HN 0.474 nan 8.250 nan 0.000 0.484 135 T N -2.251 112.218 114.554 -0.141 0.000 2.802 135 T HA 0.358 4.711 4.350 0.006 0.000 0.311 135 T C -0.702 173.956 174.700 -0.069 0.000 1.405 135 T CA -0.402 61.636 62.100 -0.103 0.000 1.016 135 T CB 1.347 70.141 68.868 -0.123 0.000 1.352 135 T HN -0.157 nan 8.240 nan 0.000 0.498 136 V N -0.298 119.613 119.914 -0.006 0.000 3.337 136 V HA 0.514 4.637 4.120 0.006 0.000 0.307 136 V C 0.504 176.661 176.094 0.104 0.000 1.505 136 V CA -0.279 62.040 62.300 0.033 0.000 1.072 136 V CB -0.061 31.763 31.823 0.002 0.000 0.929 136 V HN 0.853 nan 8.190 nan 0.000 0.455 137 E N 2.500 122.784 120.200 0.139 0.000 2.373 137 E HA 0.282 4.636 4.350 0.006 0.000 0.267 137 E C -2.394 174.419 176.600 0.355 0.000 1.032 137 E CA -1.621 54.886 56.400 0.178 0.000 0.889 137 E CB 0.998 30.789 29.700 0.152 0.000 0.984 137 E HN 0.288 nan 8.360 nan 0.000 0.425 138 P HA -0.016 nan 4.420 nan 0.000 0.272 138 P C -0.064 177.275 177.300 0.065 0.000 1.223 138 P CA -0.189 63.069 63.100 0.264 0.000 0.784 138 P CB 0.343 32.169 31.700 0.209 0.000 0.923 139 F N 3.140 122.773 119.950 -0.527 0.000 2.063 139 F HA -0.308 4.223 4.527 0.006 0.000 0.298 139 F C 1.775 177.331 175.800 -0.406 0.000 1.109 139 F CA 2.488 59.734 58.000 -1.255 0.000 1.212 139 F CB -0.629 37.577 39.000 -1.323 0.000 0.973 139 F HN 0.349 nan 8.300 nan 0.000 0.480 140 D N -0.867 119.298 120.400 -0.392 0.000 2.144 140 D HA -0.278 4.365 4.640 0.006 0.000 0.199 140 D C 2.049 178.211 176.300 -0.229 0.000 0.984 140 D CA 1.753 55.532 54.000 -0.369 0.000 0.834 140 D CB -1.489 39.237 40.800 -0.123 0.000 0.955 140 D HN 0.457 nan 8.370 nan 0.000 0.465 141 Y N 1.208 121.461 120.300 -0.078 0.000 2.314 141 Y HA 0.159 4.713 4.550 0.006 0.000 0.293 141 Y C 2.874 178.767 175.900 -0.012 0.000 1.129 141 Y CA 1.015 59.113 58.100 -0.004 0.000 1.201 141 Y CB -0.348 38.135 38.460 0.039 0.000 0.999 141 Y HN 0.102 nan 8.280 nan 0.000 0.541 142 A N -1.545 121.322 122.820 0.077 0.000 1.930 142 A HA -0.119 4.205 4.320 0.006 0.000 0.215 142 A C 1.999 179.678 177.584 0.159 0.000 1.176 142 A CA 1.605 53.715 52.037 0.120 0.000 0.632 142 A CB -1.077 18.014 19.000 0.152 0.000 0.819 142 A HN 0.518 nan 8.150 nan 0.000 0.445 143 C N -2.486 116.752 119.300 -0.103 0.000 2.735 143 C HA 0.369 4.832 4.460 0.006 0.000 0.271 143 C C 0.159 174.943 174.990 -0.343 0.000 1.281 143 C CA -0.551 58.337 59.018 -0.217 0.000 1.719 143 C CB -1.267 26.179 27.740 -0.489 0.000 2.024 143 C HN 0.500 nan 8.230 nan 0.000 0.566 144 Y N 1.330 121.462 120.300 -0.281 0.000 2.429 144 Y HA 0.321 4.875 4.550 0.006 0.000 0.342 144 Y C 1.316 177.105 175.900 -0.185 0.000 1.004 144 Y CA -0.925 57.039 58.100 -0.227 0.000 1.075 144 Y CB 1.035 39.338 38.460 -0.262 0.000 1.214 144 Y HN 0.074 nan 8.280 nan 0.000 0.455 145 K N -0.366 120.034 120.400 0.000 0.000 2.243 145 K HA -0.013 4.310 4.320 0.006 0.000 0.201 145 K C 0.682 177.235 176.600 -0.078 0.000 1.051 145 K CA 1.236 57.502 56.287 -0.034 0.000 0.970 145 K CB 0.144 32.623 32.500 -0.035 0.000 0.755 145 K HN 0.517 nan 8.250 nan 0.000 0.465 146 E N 1.988 122.137 120.200 -0.085 0.000 2.049 146 E HA -0.133 4.220 4.350 0.006 0.000 0.198 146 E C -0.915 175.451 176.600 -0.389 0.000 1.007 146 E CA 1.665 57.947 56.400 -0.197 0.000 0.809 146 E CB -1.504 28.078 29.700 -0.196 0.000 0.749 146 E HN 0.301 nan 8.360 nan 0.000 0.450 147 P HA -0.264 nan 4.420 nan 0.000 0.217 147 P C 1.738 178.790 177.300 -0.413 0.000 1.158 147 P CA 1.918 64.529 63.100 -0.814 0.000 0.887 147 P CB -0.123 30.923 31.700 -1.090 0.000 0.792 148 V N -0.851 118.961 119.914 -0.170 0.000 2.719 148 V HA -0.130 3.994 4.120 0.006 0.000 0.252 148 V C 1.951 178.052 176.094 0.012 0.000 1.065 148 V CA 1.524 63.859 62.300 0.058 0.000 1.086 148 V CB -1.433 30.468 31.823 0.131 0.000 0.700 148 V HN 0.154 nan 8.190 nan 0.000 0.467 149 I N -2.182 118.353 120.570 -0.059 0.000 2.876 149 I HA 0.054 4.227 4.170 0.006 0.000 0.264 149 I C 2.198 178.299 176.117 -0.028 0.000 1.204 149 I CA 1.157 62.438 61.300 -0.032 0.000 1.485 149 I CB -0.429 37.542 38.000 -0.048 0.000 1.103 149 I HN 0.233 nan 8.210 nan 0.000 0.446 150 L N 1.012 122.164 121.223 -0.119 0.000 2.179 150 L HA -0.058 4.286 4.340 0.006 0.000 0.208 150 L C 1.947 178.881 176.870 0.106 0.000 1.096 150 L CA 0.911 55.715 54.840 -0.060 0.000 0.779 150 L CB -0.693 41.095 42.059 -0.452 0.000 0.922 150 L HN 0.211 nan 8.230 nan 0.000 0.443 151 D N 0.661 121.106 120.400 0.075 0.000 2.263 151 D HA -0.102 4.541 4.640 0.006 0.000 0.208 151 D C 1.649 178.049 176.300 0.166 0.000 0.971 151 D CA 1.210 55.317 54.000 0.177 0.000 0.867 151 D CB 0.239 41.179 40.800 0.234 0.000 0.929 151 D HN 0.288 nan 8.370 nan 0.000 0.492 152 A N -0.090 122.807 122.820 0.129 0.000 2.500 152 A HA 0.148 4.472 4.320 0.006 0.000 0.267 152 A C 0.335 177.988 177.584 0.114 0.000 1.290 152 A CA -0.323 51.781 52.037 0.112 0.000 0.928 152 A CB -0.721 18.329 19.000 0.083 0.000 1.066 152 A HN 0.213 nan 8.150 nan 0.000 0.516 153 N N 0.354 119.147 118.700 0.155 0.000 2.716 153 N HA -0.154 4.589 4.740 0.006 0.000 0.250 153 N C -0.258 175.305 175.510 0.089 0.000 1.033 153 N CA 0.059 53.192 53.050 0.138 0.000 0.727 153 N CB -0.464 38.091 38.487 0.113 0.000 0.950 153 N HN 0.395 nan 8.380 nan 0.000 0.541 154 R N 0.571 121.107 120.500 0.060 0.000 2.637 154 R HA 0.276 4.620 4.340 0.006 0.000 0.269 154 R C 0.763 177.052 176.300 -0.018 0.000 1.089 154 R CA -0.184 55.928 56.100 0.021 0.000 1.177 154 R CB 0.835 31.131 30.300 -0.005 0.000 1.091 154 R HN 0.166 nan 8.270 nan 0.000 0.540 155 S N 1.534 117.200 115.700 -0.058 0.000 2.586 155 S HA 0.264 4.737 4.470 0.006 0.000 0.274 155 S C -1.489 172.923 174.600 -0.313 0.000 1.281 155 S CA -1.511 56.585 58.200 -0.174 0.000 1.035 155 S CB 0.854 63.950 63.200 -0.173 0.000 0.962 155 S HN 0.365 nan 8.310 nan 0.000 0.512 156 P HA 0.036 nan 4.420 nan 0.000 0.237 156 P C -0.399 176.583 177.300 -0.531 0.000 1.178 156 P CA 0.443 63.248 63.100 -0.491 0.000 0.766 156 P CB -0.056 31.244 31.700 -0.666 0.000 0.876 157 R N -1.007 119.051 120.500 -0.737 0.000 2.725 157 R HA 0.571 4.914 4.340 0.006 0.000 0.277 157 R C -0.252 175.752 176.300 -0.493 0.000 0.987 157 R CA -1.080 54.637 56.100 -0.638 0.000 0.901 157 R CB 1.544 31.352 30.300 -0.820 0.000 1.207 157 R HN -0.194 nan 8.270 nan 0.000 0.463 158 R N 0.913 121.290 120.500 -0.205 0.000 2.707 158 R HA 0.144 4.487 4.340 0.006 0.000 0.270 158 R C 1.153 177.535 176.300 0.136 0.000 1.083 158 R CA -0.389 55.689 56.100 -0.036 0.000 1.182 158 R CB 0.454 30.747 30.300 -0.011 0.000 1.084 158 R HN 0.551 nan 8.270 nan 0.000 0.528 159 L N 0.957 122.290 121.223 0.184 0.000 2.187 159 L HA -0.211 4.132 4.340 0.006 0.000 0.213 159 L C 1.452 178.422 176.870 0.167 0.000 1.100 159 L CA 1.469 56.446 54.840 0.229 0.000 0.765 159 L CB -0.616 41.506 42.059 0.106 0.000 0.904 159 L HN 0.749 nan 8.230 nan 0.000 0.437 160 D N -0.965 119.502 120.400 0.111 0.000 2.363 160 D HA 0.040 4.684 4.640 0.006 0.000 0.226 160 D C 1.502 177.861 176.300 0.099 0.000 1.020 160 D CA 0.795 54.841 54.000 0.077 0.000 0.892 160 D CB 0.220 41.046 40.800 0.044 0.000 0.900 160 D HN 0.265 nan 8.370 nan 0.000 0.531 161 G N -0.009 108.893 108.800 0.171 0.000 2.234 161 G HA2 -0.305 3.659 3.960 0.006 0.000 0.235 161 G HA3 -0.305 3.659 3.960 0.006 0.000 0.235 161 G C 0.475 175.400 174.900 0.042 0.000 0.997 161 G CA 0.174 45.373 45.100 0.166 0.000 0.623 161 G HN 0.846 nan 8.290 nan 0.000 0.514 162 S N 0.435 116.141 115.700 0.012 0.000 2.549 162 S HA 0.440 4.913 4.470 0.006 0.000 0.286 162 S C 0.204 174.760 174.600 -0.073 0.000 1.314 162 S CA 0.523 58.714 58.200 -0.017 0.000 1.062 162 S CB 1.763 64.958 63.200 -0.008 0.000 0.865 162 S HN 0.815 nan 8.310 nan 0.000 0.498 163 K N 1.784 122.155 120.400 -0.048 0.000 2.258 163 K HA 0.354 4.677 4.320 0.006 0.000 0.284 163 K C 0.511 177.083 176.600 -0.047 0.000 1.051 163 K CA -0.662 55.591 56.287 -0.056 0.000 0.923 163 K CB 0.875 33.392 32.500 0.028 0.000 1.046 163 K HN 0.669 nan 8.250 nan 0.000 0.474 164 V N 0.064 119.934 119.914 -0.074 0.000 3.578 164 V HA 0.244 4.367 4.120 0.006 0.000 0.290 164 V C 0.228 176.303 176.094 -0.032 0.000 1.376 164 V CA 0.215 62.483 62.300 -0.053 0.000 1.083 164 V CB 0.157 31.939 31.823 -0.070 0.000 0.911 164 V HN 0.804 nan 8.190 nan 0.000 0.433 165 T N 0.365 114.911 114.554 -0.012 0.000 2.749 165 T HA 0.386 4.739 4.350 0.006 0.000 0.310 165 T C -1.542 173.182 174.700 0.040 0.000 1.496 165 T CA -0.552 61.559 62.100 0.017 0.000 1.006 165 T CB 1.589 70.461 68.868 0.007 0.000 1.457 165 T HN 0.416 nan 8.240 nan 0.000 0.497 166 N N 1.226 119.948 118.700 0.036 0.000 2.529 166 N HA 0.622 5.366 4.740 0.006 0.000 0.278 166 N C -1.087 174.393 175.510 -0.050 0.000 1.146 166 N CA -0.219 52.768 53.050 -0.105 0.000 0.980 166 N CB 0.601 39.056 38.487 -0.053 0.000 1.124 166 N HN 0.610 nan 8.380 nan 0.000 0.458 167 Y N -0.908 119.181 120.300 -0.352 0.000 2.670 167 Y HA 0.847 5.400 4.550 0.004 0.000 0.334 167 Y C -1.104 174.296 175.900 -0.834 0.000 1.185 167 Y CA -1.376 56.501 58.100 -0.372 0.000 1.053 167 Y CB 0.570 38.795 38.460 -0.393 0.000 1.298 167 Y HN 0.514 nan 8.280 nan 0.000 0.459 168 A N 0.498 122.994 122.820 -0.540 0.000 2.985 168 A HA 0.876 5.200 4.320 0.006 0.000 0.248 168 A C -1.722 175.440 177.584 -0.704 0.000 1.195 168 A CA -0.895 50.569 52.037 -0.955 0.000 0.798 168 A CB 1.044 19.855 19.000 -0.315 0.000 1.376 168 A HN 0.793 nan 8.150 nan 0.000 0.574 169 W N -1.206 120.281 121.300 0.311 0.000 2.975 169 W HA 0.550 5.212 4.660 0.004 0.000 0.342 169 W C -1.053 175.543 176.519 0.127 0.000 1.168 169 W CA -0.240 57.280 57.345 0.291 0.000 1.141 169 W CB 1.001 30.841 29.460 0.633 0.000 1.445 169 W HN 0.736 nan 8.180 nan 0.000 0.560 170 H N 0.914 120.201 119.070 0.361 0.000 2.529 170 H HA 0.471 5.031 4.556 0.007 0.000 0.348 170 H C -0.838 174.628 175.328 0.231 0.000 1.079 170 H CA -0.549 55.569 56.048 0.117 0.000 1.198 170 H CB 1.870 31.699 29.762 0.112 0.000 1.521 170 H HN 0.247 nan 8.280 nan 0.000 0.514 171 F N -0.575 119.597 119.950 0.370 0.000 2.807 171 F HA 0.230 4.760 4.527 0.005 0.000 0.316 171 F C -1.588 174.351 175.800 0.231 0.000 1.162 171 F CA -1.466 56.703 58.000 0.282 0.000 0.910 171 F CB 0.755 39.955 39.000 0.334 0.000 1.314 171 F HN 0.263 nan 8.300 nan 0.000 0.454 172 D N 1.385 122.125 120.400 0.566 0.000 2.316 172 D HA 0.470 5.113 4.640 0.006 0.000 0.245 172 D C 1.084 177.714 176.300 0.549 0.000 1.171 172 D CA 0.456 54.726 54.000 0.451 0.000 0.856 172 D CB 1.821 42.822 40.800 0.335 0.000 1.090 172 D HN 0.886 nan 8.370 nan 0.000 0.476 173 A N 5.136 128.245 122.820 0.482 0.000 1.948 173 A HA -0.245 4.079 4.320 0.006 0.000 0.220 173 A C 1.859 179.557 177.584 0.191 0.000 1.177 173 A CA 1.329 53.588 52.037 0.371 0.000 0.636 173 A CB -0.721 18.386 19.000 0.178 0.000 0.815 173 A HN 0.800 nan 8.150 nan 0.000 0.449 174 H N -1.033 118.168 119.070 0.218 0.000 2.353 174 H HA -0.142 4.418 4.556 0.006 0.000 0.298 174 H C 1.959 177.374 175.328 0.145 0.000 1.103 174 H CA 1.773 57.921 56.048 0.167 0.000 1.293 174 H CB -0.280 29.569 29.762 0.145 0.000 1.372 174 H HN 0.373 nan 8.280 nan 0.000 0.501 175 L N 0.161 121.549 121.223 0.275 0.000 2.093 175 L HA -0.122 4.221 4.340 0.006 0.000 0.208 175 L C 2.720 179.675 176.870 0.142 0.000 1.085 175 L CA 0.827 55.776 54.840 0.182 0.000 0.755 175 L CB -0.722 41.431 42.059 0.158 0.000 0.904 175 L HN 0.040 nan 8.230 nan 0.000 0.435 176 V N -0.557 119.407 119.914 0.083 0.000 2.358 176 V HA -0.240 3.883 4.120 0.006 0.000 0.246 176 V C 2.673 178.869 176.094 0.170 0.000 1.047 176 V CA 1.433 63.755 62.300 0.037 0.000 1.035 176 V CB -1.062 30.621 31.823 -0.234 0.000 0.658 176 V HN 0.474 nan 8.190 nan 0.000 0.452 177 A N -0.443 122.468 122.820 0.150 0.000 1.908 177 A HA -0.285 4.039 4.320 0.006 0.000 0.218 177 A C 2.112 179.715 177.584 0.031 0.000 1.181 177 A CA 2.065 54.202 52.037 0.166 0.000 0.627 177 A CB -0.635 18.487 19.000 0.203 0.000 0.818 177 A HN 0.534 nan 8.150 nan 0.000 0.445 178 D N -1.295 119.139 120.400 0.056 0.000 2.097 178 D HA -0.149 4.494 4.640 0.006 0.000 0.195 178 D C 1.691 177.980 176.300 -0.018 0.000 0.989 178 D CA 1.465 55.452 54.000 -0.022 0.000 0.827 178 D CB -0.289 40.551 40.800 0.067 0.000 0.966 178 D HN 0.439 nan 8.370 nan 0.000 0.456 179 F N 1.563 121.492 119.950 -0.035 0.000 2.095 179 F HA -0.157 4.373 4.527 0.005 0.000 0.298 179 F C 2.257 178.068 175.800 0.018 0.000 1.104 179 F CA 1.192 59.194 58.000 0.003 0.000 1.232 179 F CB -0.408 38.619 39.000 0.046 0.000 0.987 179 F HN -0.112 nan 8.300 nan 0.000 0.475 180 L N -0.072 121.198 121.223 0.079 0.000 2.141 180 L HA -0.159 4.184 4.340 0.006 0.000 0.209 180 L C 2.709 179.485 176.870 -0.157 0.000 1.094 180 L CA 1.301 56.176 54.840 0.057 0.000 0.763 180 L CB -0.688 41.542 42.059 0.285 0.000 0.908 180 L HN 0.133 nan 8.230 nan 0.000 0.437 181 R N 0.527 120.680 120.500 -0.579 0.000 2.081 181 R HA -0.142 4.201 4.340 0.006 0.000 0.235 181 R C 2.440 178.324 176.300 -0.694 0.000 1.131 181 R CA 1.265 56.564 56.100 -1.336 0.000 0.960 181 R CB -0.038 29.210 30.300 -1.754 0.000 0.856 181 R HN 0.288 nan 8.270 nan 0.000 0.436 182 R N -0.543 119.705 120.500 -0.420 0.000 2.081 182 R HA -0.159 4.185 4.340 0.006 0.000 0.235 182 R C 2.226 178.393 176.300 -0.222 0.000 1.131 182 R CA 1.661 57.599 56.100 -0.270 0.000 0.960 182 R CB -0.501 29.681 30.300 -0.197 0.000 0.856 182 R HN 0.226 nan 8.270 nan 0.000 0.436 183 F N 1.485 121.192 119.950 -0.406 0.000 2.075 183 F HA -0.158 4.372 4.527 0.006 0.000 0.297 183 F C 2.315 178.000 175.800 -0.192 0.000 1.113 183 F CA 1.454 59.252 58.000 -0.337 0.000 1.218 183 F CB -0.582 38.163 39.000 -0.425 0.000 0.984 183 F HN -0.024 nan 8.300 nan 0.000 0.472 184 A N -0.181 122.513 122.820 -0.210 0.000 1.902 184 A HA -0.209 4.114 4.320 0.006 0.000 0.217 184 A C 2.254 179.736 177.584 -0.170 0.000 1.181 184 A CA 2.769 54.696 52.037 -0.184 0.000 0.623 184 A CB -1.642 17.464 19.000 0.178 0.000 0.818 184 A HN 0.564 nan 8.150 nan 0.000 0.443 185 T N -2.339 112.128 114.554 -0.144 0.000 2.812 185 T HA -0.054 4.299 4.350 0.006 0.000 0.264 185 T C 1.627 176.253 174.700 -0.122 0.000 1.042 185 T CA 1.482 63.531 62.100 -0.084 0.000 1.140 185 T CB -0.289 68.539 68.868 -0.066 0.000 0.870 185 T HN 0.582 nan 8.240 nan 0.000 0.445 186 E N 0.971 121.068 120.200 -0.171 0.000 2.170 186 E HA 0.077 4.430 4.350 0.006 0.000 0.191 186 E C 2.098 178.582 176.600 -0.193 0.000 0.981 186 E CA 0.665 56.976 56.400 -0.150 0.000 0.830 186 E CB 0.160 29.784 29.700 -0.126 0.000 0.775 186 E HN 0.524 nan 8.360 nan 0.000 0.470 187 K N -0.381 119.820 120.400 -0.332 0.000 2.391 187 K HA 0.221 4.544 4.320 0.006 0.000 0.197 187 K C 1.280 177.634 176.600 -0.410 0.000 1.087 187 K CA 0.089 56.146 56.287 -0.384 0.000 1.012 187 K CB 0.871 33.074 32.500 -0.495 0.000 0.925 187 K HN 0.027 nan 8.250 nan 0.000 0.547 188 L N 0.050 121.017 121.223 -0.426 0.000 2.766 188 L HA 0.256 4.600 4.340 0.006 0.000 0.242 188 L C 0.715 177.483 176.870 -0.169 0.000 1.136 188 L CA 0.061 54.717 54.840 -0.307 0.000 0.933 188 L CB 0.660 42.518 42.059 -0.335 0.000 1.241 188 L HN 0.348 nan 8.230 nan 0.000 0.522 189 G N 1.096 109.813 108.800 -0.139 0.000 2.179 189 G HA2 -0.256 3.707 3.960 0.006 0.000 0.257 189 G HA3 -0.256 3.707 3.960 0.006 0.000 0.257 189 G C 0.236 175.117 174.900 -0.033 0.000 1.010 189 G CA 0.185 45.240 45.100 -0.074 0.000 0.736 189 G HN 0.134 nan 8.290 nan 0.000 0.513 190 V N 0.798 120.703 119.914 -0.016 0.000 2.508 190 V HA 0.310 4.433 4.120 0.006 0.000 0.281 190 V C 1.212 177.363 176.094 0.095 0.000 1.041 190 V CA -0.111 62.216 62.300 0.045 0.000 1.016 190 V CB 1.281 33.168 31.823 0.106 0.000 0.984 190 V HN 0.530 nan 8.190 nan 0.000 0.478 191 R N 4.158 124.711 120.500 0.089 0.000 2.308 191 R HA 0.268 4.612 4.340 0.006 0.000 0.305 191 R C -0.224 176.196 176.300 0.201 0.000 1.053 191 R CA -0.416 55.758 56.100 0.125 0.000 0.957 191 R CB 0.420 30.777 30.300 0.096 0.000 1.022 191 R HN 0.921 nan 8.270 nan 0.000 0.461 192 H N 3.913 123.057 119.070 0.124 0.000 2.504 192 H HA 0.370 4.929 4.556 0.006 0.000 0.322 192 H C -1.332 174.050 175.328 0.089 0.000 1.055 192 H CA -0.949 55.199 56.048 0.166 0.000 1.231 192 H CB 1.346 31.286 29.762 0.297 0.000 1.417 192 H HN 0.276 nan 8.280 nan 0.000 0.472 193 V N 6.087 126.039 119.914 0.063 0.000 2.444 193 V HA 0.114 4.237 4.120 0.006 0.000 0.294 193 V C -0.428 175.582 176.094 -0.140 0.000 1.022 193 V CA -0.767 61.481 62.300 -0.087 0.000 0.850 193 V CB 1.627 33.384 31.823 -0.110 0.000 0.992 193 V HN 0.835 nan 8.190 nan 0.000 0.426 194 E N 4.149 124.238 120.200 -0.186 0.000 2.014 194 E HA 0.504 4.857 4.350 0.006 0.000 0.275 194 E C -0.984 175.602 176.600 -0.023 0.000 0.997 194 E CA -0.275 56.063 56.400 -0.103 0.000 0.804 194 E CB 1.263 30.882 29.700 -0.134 0.000 1.090 194 E HN 0.594 nan 8.360 nan 0.000 0.401 195 D N 1.542 121.941 120.400 -0.003 0.000 2.639 195 D HA 0.210 4.853 4.640 0.006 0.000 0.271 195 D C -1.318 174.996 176.300 0.024 0.000 1.254 195 D CA -0.705 53.311 54.000 0.027 0.000 0.810 195 D CB 1.851 42.690 40.800 0.064 0.000 1.351 195 D HN 0.203 nan 8.370 nan 0.000 0.427 196 R N 1.265 121.789 120.500 0.039 0.000 2.445 196 R HA 0.552 4.895 4.340 0.006 0.000 0.308 196 R C -0.822 175.505 176.300 0.046 0.000 0.961 196 R CA -0.637 55.484 56.100 0.035 0.000 0.862 196 R CB 1.284 31.606 30.300 0.036 0.000 1.144 196 R HN 0.194 nan 8.270 nan 0.000 0.447 197 V N 4.308 124.242 119.914 0.034 0.000 2.529 197 V HA -0.023 4.101 4.120 0.006 0.000 0.292 197 V C 1.062 177.188 176.094 0.053 0.000 1.028 197 V CA 0.747 63.075 62.300 0.046 0.000 1.074 197 V CB 1.244 33.079 31.823 0.020 0.000 0.958 197 V HN 0.955 nan 8.190 nan 0.000 0.481 198 E N 2.481 122.730 120.200 0.082 0.000 2.421 198 E HA 0.122 4.476 4.350 0.006 0.000 0.209 198 E C 0.314 176.998 176.600 0.139 0.000 0.871 198 E CA -0.031 56.423 56.400 0.091 0.000 1.064 198 E CB 0.565 30.320 29.700 0.092 0.000 1.075 198 E HN 0.793 nan 8.360 nan 0.000 0.513 199 H N -0.382 118.702 119.070 0.023 0.000 3.029 199 H HA 0.309 4.868 4.556 0.006 0.000 0.358 199 H C -1.799 173.531 175.328 0.005 0.000 1.129 199 H CA -0.526 55.529 56.048 0.011 0.000 1.230 199 H CB 1.658 31.428 29.762 0.012 0.000 1.827 199 H HN -0.128 nan 8.280 nan 0.000 0.530 200 V N 4.797 124.398 119.914 -0.522 0.000 2.384 200 V HA 0.143 4.266 4.120 0.006 0.000 0.287 200 V C 0.051 175.886 176.094 -0.431 0.000 1.020 200 V CA -0.685 61.410 62.300 -0.341 0.000 0.850 200 V CB 1.454 33.117 31.823 -0.267 0.000 0.987 200 V HN 0.616 nan 8.190 nan 0.000 0.436 201 Q N 4.837 124.544 119.800 -0.155 0.000 2.278 201 Q HA 0.527 4.871 4.340 0.006 0.000 0.257 201 Q C -0.441 175.509 176.000 -0.083 0.000 0.928 201 Q CA -0.081 55.703 55.803 -0.031 0.000 0.932 201 Q CB 1.067 29.874 28.738 0.116 0.000 1.221 201 Q HN 0.704 nan 8.270 nan 0.000 0.434 202 R N 2.100 122.558 120.500 -0.070 0.000 2.787 202 R HA 0.458 4.802 4.340 0.006 0.000 0.271 202 R C -0.541 175.744 176.300 -0.025 0.000 0.993 202 R CA -0.856 55.201 56.100 -0.072 0.000 0.993 202 R CB 0.910 31.163 30.300 -0.078 0.000 1.155 202 R HN 0.770 nan 8.270 nan 0.000 0.486 203 D N 0.388 120.777 120.400 -0.018 0.000 2.506 203 D HA 0.223 4.866 4.640 0.006 0.000 0.272 203 D C 0.686 176.986 176.300 -0.001 0.000 1.214 203 D CA -0.634 53.366 54.000 0.001 0.000 1.067 203 D CB 0.383 41.190 40.800 0.011 0.000 1.117 203 D HN 0.414 nan 8.370 nan 0.000 0.578 204 A N -0.548 122.274 122.820 0.004 0.000 2.070 204 A HA -0.166 4.157 4.320 0.006 0.000 0.220 204 A C 1.552 179.136 177.584 -0.001 0.000 1.159 204 A CA 1.157 53.196 52.037 0.002 0.000 0.656 204 A CB -1.121 17.881 19.000 0.004 0.000 0.800 204 A HN 0.651 nan 8.150 nan 0.000 0.453 205 N N -1.280 117.420 118.700 0.000 0.000 2.398 205 N HA 0.270 5.014 4.740 0.006 0.000 0.188 205 N C 1.018 176.525 175.510 -0.005 0.000 1.122 205 N CA 0.454 53.503 53.050 -0.001 0.000 0.866 205 N CB 0.187 38.675 38.487 0.003 0.000 0.970 205 N HN 0.567 nan 8.380 nan 0.000 0.462 206 G N 0.568 109.362 108.800 -0.010 0.000 2.179 206 G HA2 -0.298 3.666 3.960 0.006 0.000 0.260 206 G HA3 -0.298 3.666 3.960 0.006 0.000 0.260 206 G C -0.138 174.747 174.900 -0.025 0.000 0.977 206 G CA -0.175 44.915 45.100 -0.018 0.000 0.641 206 G HN 0.386 nan 8.290 nan 0.000 0.533 207 N N -0.338 118.352 118.700 -0.015 0.000 2.483 207 N HA 0.534 5.277 4.740 0.006 0.000 0.269 207 N C 0.391 175.860 175.510 -0.069 0.000 1.209 207 N CA -0.587 52.454 53.050 -0.015 0.000 0.969 207 N CB 0.859 39.363 38.487 0.027 0.000 1.173 207 N HN 0.217 nan 8.380 nan 0.000 0.475 208 I N 1.202 121.681 120.570 -0.151 0.000 2.471 208 I HA -0.037 4.136 4.170 0.006 0.000 0.286 208 I C 1.516 177.503 176.117 -0.217 0.000 1.079 208 I CA 0.365 61.446 61.300 -0.365 0.000 1.398 208 I CB 0.956 38.400 38.000 -0.927 0.000 1.403 208 I HN 0.761 nan 8.210 nan 0.000 0.530 209 E N 4.285 124.406 120.200 -0.132 0.000 2.099 209 E HA 0.005 4.359 4.350 0.006 0.000 0.191 209 E C 0.185 176.861 176.600 0.127 0.000 0.962 209 E CA 0.482 56.903 56.400 0.034 0.000 0.826 209 E CB 0.519 30.234 29.700 0.025 0.000 0.788 209 E HN 0.765 nan 8.360 nan 0.000 0.461 210 S N -0.933 114.789 115.700 0.036 0.000 2.615 210 S HA 0.456 4.930 4.470 0.006 0.000 0.268 210 S C -1.000 173.648 174.600 0.080 0.000 1.146 210 S CA -0.532 57.767 58.200 0.165 0.000 0.818 210 S CB 1.556 64.856 63.200 0.166 0.000 1.111 210 S HN 0.309 nan 8.310 nan 0.000 0.465 211 V N -0.903 119.132 119.914 0.200 0.000 2.588 211 V HA 0.867 4.990 4.120 0.006 0.000 0.304 211 V C -0.458 175.778 176.094 0.236 0.000 1.042 211 V CA -0.842 61.555 62.300 0.161 0.000 0.877 211 V CB 1.417 33.335 31.823 0.158 0.000 0.996 211 V HN 1.209 nan 8.190 nan 0.000 0.425 212 R N 2.897 123.518 120.500 0.201 0.000 2.460 212 R HA 0.747 5.090 4.340 0.006 0.000 0.303 212 R C 0.226 176.635 176.300 0.181 0.000 0.968 212 R CA 0.235 56.450 56.100 0.191 0.000 0.889 212 R CB 1.818 32.211 30.300 0.155 0.000 1.123 212 R HN 1.101 nan 8.270 nan 0.000 0.455 213 T N 0.653 115.322 114.554 0.191 0.000 2.897 213 T HA 0.404 4.758 4.350 0.006 0.000 0.278 213 T C 1.350 176.114 174.700 0.107 0.000 0.981 213 T CA -0.265 61.930 62.100 0.157 0.000 0.973 213 T CB 1.589 70.582 68.868 0.207 0.000 1.092 213 T HN 0.627 nan 8.240 nan 0.000 0.543 214 A N 0.768 123.638 122.820 0.084 0.000 1.978 214 A HA -0.036 4.287 4.320 0.006 0.000 0.220 214 A C 2.339 179.955 177.584 0.054 0.000 1.170 214 A CA 2.115 54.188 52.037 0.061 0.000 0.636 214 A CB -1.656 17.375 19.000 0.051 0.000 0.810 214 A HN 1.120 nan 8.150 nan 0.000 0.448 215 T N -4.596 109.997 114.554 0.065 0.000 3.129 215 T HA 0.404 4.758 4.350 0.006 0.000 0.251 215 T C 1.346 176.072 174.700 0.042 0.000 1.117 215 T CA 1.024 63.154 62.100 0.051 0.000 1.034 215 T CB 0.048 68.951 68.868 0.058 0.000 0.968 215 T HN 1.696 nan 8.240 nan 0.000 0.526 216 G N 1.281 110.111 108.800 0.049 0.000 2.175 216 G HA2 -0.254 3.709 3.960 0.006 0.000 0.244 216 G HA3 -0.254 3.709 3.960 0.006 0.000 0.244 216 G C 0.178 175.087 174.900 0.015 0.000 0.982 216 G CA -0.252 44.864 45.100 0.028 0.000 0.641 216 G HN 0.658 nan 8.290 nan 0.000 0.527 217 R N -0.415 120.107 120.500 0.036 0.000 2.594 217 R HA 0.541 4.884 4.340 0.006 0.000 0.272 217 R C 0.078 176.342 176.300 -0.059 0.000 1.074 217 R CA 0.032 56.097 56.100 -0.059 0.000 1.105 217 R CB 1.212 31.496 30.300 -0.025 0.000 1.008 217 R HN 0.119 nan 8.270 nan 0.000 0.472 218 V N 4.392 124.156 119.914 -0.249 0.000 2.444 218 V HA 0.412 4.535 4.120 0.006 0.000 0.294 218 V C -1.018 174.891 176.094 -0.310 0.000 1.022 218 V CA -0.593 61.636 62.300 -0.119 0.000 0.850 218 V CB 1.166 32.956 31.823 -0.055 0.000 0.992 218 V HN 0.511 nan 8.190 nan 0.000 0.426 219 F N 3.119 123.118 119.950 0.082 0.000 2.467 219 F HA 0.601 5.132 4.527 0.006 0.000 0.336 219 F C 0.204 176.090 175.800 0.142 0.000 1.123 219 F CA -0.910 57.141 58.000 0.086 0.000 0.964 219 F CB 1.669 40.716 39.000 0.078 0.000 1.136 219 F HN 0.669 nan 8.300 nan 0.000 0.447 220 D N 1.423 121.966 120.400 0.240 0.000 2.340 220 D HA 0.875 5.518 4.640 0.006 0.000 0.243 220 D C -0.983 175.359 176.300 0.071 0.000 0.988 220 D CA -0.772 53.367 54.000 0.232 0.000 0.959 220 D CB 2.054 42.940 40.800 0.143 0.000 1.226 220 D HN 0.740 nan 8.370 nan 0.000 0.509 221 A N 0.173 122.972 122.820 -0.035 0.000 2.566 221 A HA 0.419 4.743 4.320 0.006 0.000 0.290 221 A C -0.624 176.833 177.584 -0.212 0.000 1.071 221 A CA -0.715 51.119 52.037 -0.338 0.000 0.658 221 A CB 1.130 19.599 19.000 -0.884 0.000 1.285 221 A HN 0.515 nan 8.150 nan 0.000 0.427 222 D N -0.742 119.548 120.400 -0.184 0.000 2.277 222 D HA 0.177 4.821 4.640 0.006 0.000 0.209 222 D C -0.115 176.147 176.300 -0.064 0.000 0.970 222 D CA 1.189 55.155 54.000 -0.057 0.000 0.874 222 D CB 0.471 41.248 40.800 -0.039 0.000 0.982 222 D HN 0.268 nan 8.370 nan 0.000 0.504 223 L N 0.202 121.292 121.223 -0.221 0.000 2.436 223 L HA 0.393 4.737 4.340 0.006 0.000 0.268 223 L C -1.769 174.896 176.870 -0.342 0.000 0.974 223 L CA -0.624 54.110 54.840 -0.177 0.000 0.826 223 L CB 1.848 43.774 42.059 -0.221 0.000 1.291 223 L HN -0.328 nan 8.230 nan 0.000 0.406 224 F N 4.498 124.379 119.950 -0.115 0.000 2.444 224 F HA 0.598 5.128 4.527 0.006 0.000 0.342 224 F C -0.108 175.598 175.800 -0.157 0.000 1.121 224 F CA -0.806 57.129 58.000 -0.107 0.000 0.997 224 F CB 1.936 40.894 39.000 -0.069 0.000 1.130 224 F HN 0.066 nan 8.300 nan 0.000 0.454 225 V N 2.717 122.618 119.914 -0.023 0.000 2.347 225 V HA 0.194 4.317 4.120 0.006 0.000 0.280 225 V C -0.469 175.594 176.094 -0.052 0.000 1.021 225 V CA -0.718 61.529 62.300 -0.088 0.000 0.847 225 V CB 1.285 33.029 31.823 -0.131 0.000 0.990 225 V HN 0.570 nan 8.190 nan 0.000 0.444 226 D N 3.952 124.325 120.400 -0.045 0.000 2.365 226 D HA 0.221 4.865 4.640 0.006 0.000 0.237 226 D C 0.023 176.285 176.300 -0.063 0.000 1.190 226 D CA -0.153 53.823 54.000 -0.039 0.000 0.867 226 D CB 1.044 41.832 40.800 -0.019 0.000 1.050 226 D HN 0.575 nan 8.370 nan 0.000 0.491 227 C N 2.890 122.138 119.300 -0.087 0.000 2.741 227 C HA 0.123 4.587 4.460 0.006 0.000 0.267 227 C C 1.784 176.711 174.990 -0.106 0.000 1.549 227 C CA -0.297 58.657 59.018 -0.106 0.000 1.772 227 C CB -1.355 26.299 27.740 -0.143 0.000 2.962 227 C HN 0.671 nan 8.230 nan 0.000 0.514 228 S N 0.152 115.802 115.700 -0.084 0.000 2.603 228 S HA 0.403 4.876 4.470 0.006 0.000 0.220 228 S C 1.134 175.681 174.600 -0.087 0.000 0.967 228 S CA 0.720 58.876 58.200 -0.073 0.000 0.920 228 S CB -0.202 62.969 63.200 -0.048 0.000 0.773 228 S HN 1.165 nan 8.310 nan 0.000 0.529 229 G N 1.248 109.965 108.800 -0.137 0.000 2.642 229 G HA2 -0.251 3.712 3.960 0.006 0.000 0.231 229 G HA3 -0.251 3.712 3.960 0.006 0.000 0.231 229 G C 0.053 174.828 174.900 -0.207 0.000 1.338 229 G CA -0.159 44.791 45.100 -0.251 0.000 0.883 229 G HN 0.281 nan 8.290 nan 0.000 0.570 230 F N 1.272 121.173 119.950 -0.081 0.000 2.287 230 F HA -0.075 4.456 4.527 0.006 0.000 0.301 230 F C 2.887 178.606 175.800 -0.135 0.000 1.069 230 F CA 2.057 59.974 58.000 -0.138 0.000 1.372 230 F CB -0.342 38.565 39.000 -0.155 0.000 1.056 230 F HN 0.392 nan 8.300 nan 0.000 0.523 231 R N -0.013 120.523 120.500 0.062 0.000 2.115 231 R HA 0.050 4.393 4.340 0.006 0.000 0.230 231 R C 1.703 178.001 176.300 -0.004 0.000 1.111 231 R CA 0.745 56.855 56.100 0.018 0.000 0.976 231 R CB -0.880 29.425 30.300 0.008 0.000 0.870 231 R HN 0.283 nan 8.270 nan 0.000 0.445 232 G N 2.096 110.891 108.800 -0.009 0.000 2.371 232 G HA2 -0.247 3.716 3.960 0.006 0.000 0.299 232 G HA3 -0.247 3.716 3.960 0.006 0.000 0.299 232 G C 0.640 175.534 174.900 -0.010 0.000 1.014 232 G CA -0.040 45.058 45.100 -0.004 0.000 1.097 232 G HN 0.194 nan 8.290 nan 0.000 0.512 233 L N -1.343 119.868 121.223 -0.020 0.000 2.081 233 L HA -0.113 4.230 4.340 0.006 0.000 0.212 233 L C 2.807 179.652 176.870 -0.042 0.000 1.080 233 L CA 2.385 57.208 54.840 -0.029 0.000 0.754 233 L CB -0.492 41.549 42.059 -0.029 0.000 0.893 233 L HN 0.611 nan 8.230 nan 0.000 0.433 234 L N -2.011 119.188 121.223 -0.039 0.000 2.265 234 L HA -0.097 4.246 4.340 0.006 0.000 0.195 234 L C 2.392 179.242 176.870 -0.034 0.000 1.083 234 L CA 0.219 55.025 54.840 -0.057 0.000 0.798 234 L CB -0.401 41.627 42.059 -0.053 0.000 0.989 234 L HN 0.079 nan 8.230 nan 0.000 0.472 235 I N 0.849 121.417 120.570 -0.003 0.000 2.179 235 I HA -0.274 3.900 4.170 0.006 0.000 0.242 235 I C 1.846 177.982 176.117 0.032 0.000 1.088 235 I CA 1.980 63.295 61.300 0.026 0.000 1.357 235 I CB -0.262 37.770 38.000 0.053 0.000 1.051 235 I HN 0.265 nan 8.210 nan 0.000 0.409 236 N N -0.518 118.201 118.700 0.032 0.000 2.333 236 N HA -0.075 4.668 4.740 0.006 0.000 0.183 236 N C 1.791 177.309 175.510 0.013 0.000 1.030 236 N CA 0.732 53.806 53.050 0.040 0.000 0.867 236 N CB -0.227 38.291 38.487 0.052 0.000 1.027 236 N HN 0.197 nan 8.380 nan 0.000 0.435 237 K N 0.999 121.396 120.400 -0.005 0.000 1.991 237 K HA 0.034 4.357 4.320 0.006 0.000 0.207 237 K C 2.004 178.581 176.600 -0.038 0.000 1.045 237 K CA 1.233 57.508 56.287 -0.020 0.000 0.937 237 K CB -0.110 32.374 32.500 -0.027 0.000 0.720 237 K HN 0.138 nan 8.250 nan 0.000 0.438 238 A N 0.949 123.734 122.820 -0.059 0.000 1.854 238 A HA -0.081 4.243 4.320 0.006 0.000 0.214 238 A C 2.047 179.591 177.584 -0.067 0.000 1.192 238 A CA 1.283 53.267 52.037 -0.088 0.000 0.611 238 A CB -0.324 18.597 19.000 -0.132 0.000 0.832 238 A HN 0.292 nan 8.150 nan 0.000 0.442 239 M N -0.959 118.612 119.600 -0.049 0.000 2.562 239 M HA 0.025 4.509 4.480 0.006 0.000 0.257 239 M C 0.192 176.487 176.300 -0.009 0.000 1.099 239 M CA 0.889 56.173 55.300 -0.028 0.000 1.099 239 M CB -1.261 31.334 32.600 -0.008 0.000 1.427 239 M HN 0.588 nan 8.290 nan 0.000 0.489 240 E N 0.199 120.397 120.200 -0.004 0.000 2.971 240 E HA -0.212 4.141 4.350 0.006 0.000 0.278 240 E C 0.005 176.619 176.600 0.023 0.000 1.009 240 E CA 0.513 56.918 56.400 0.008 0.000 0.862 240 E CB -1.473 28.228 29.700 0.001 0.000 1.436 240 E HN 0.416 nan 8.360 nan 0.000 0.434 241 E N 1.432 121.653 120.200 0.034 0.000 2.324 241 E HA 0.153 4.506 4.350 0.006 0.000 0.271 241 E C -2.498 174.142 176.600 0.066 0.000 1.028 241 E CA -2.097 54.330 56.400 0.045 0.000 0.890 241 E CB 0.687 30.420 29.700 0.054 0.000 1.004 241 E HN -0.111 nan 8.360 nan 0.000 0.431 242 P HA 0.075 nan 4.420 nan 0.000 0.271 242 P C -1.103 176.262 177.300 0.108 0.000 1.216 242 P CA -0.074 63.073 63.100 0.079 0.000 0.776 242 P CB 0.272 31.998 31.700 0.044 0.000 0.881 243 F N 3.748 123.707 119.950 0.015 0.000 2.394 243 F HA 0.389 4.919 4.527 0.006 0.000 0.340 243 F C -0.604 175.208 175.800 0.021 0.000 1.105 243 F CA -0.607 57.401 58.000 0.014 0.000 1.124 243 F CB 0.557 39.573 39.000 0.026 0.000 1.145 243 F HN 0.072 nan 8.300 nan 0.000 0.505 244 L N 5.766 126.555 121.223 -0.724 0.000 2.264 244 L HA 0.234 4.578 4.340 0.006 0.000 0.287 244 L C -0.505 176.083 176.870 -0.470 0.000 1.039 244 L CA -0.775 53.815 54.840 -0.417 0.000 0.829 244 L CB 0.793 42.687 42.059 -0.275 0.000 1.211 244 L HN 0.628 nan 8.230 nan 0.000 0.427 245 D N 3.896 124.266 120.400 -0.051 0.000 2.424 245 D HA 0.145 4.789 4.640 0.006 0.000 0.244 245 D C 0.253 176.623 176.300 0.116 0.000 1.134 245 D CA 0.240 54.337 54.000 0.162 0.000 0.881 245 D CB 0.828 41.759 40.800 0.218 0.000 1.191 245 D HN 0.437 nan 8.370 nan 0.000 0.445 246 M N 2.689 122.408 119.600 0.197 0.000 2.911 246 M HA 0.068 4.552 4.480 0.006 0.000 0.381 246 M C 0.931 177.369 176.300 0.230 0.000 1.287 246 M CA -0.347 55.092 55.300 0.231 0.000 0.858 246 M CB 0.787 33.572 32.600 0.309 0.000 1.385 246 M HN 0.457 nan 8.290 nan 0.000 0.504 247 S N -0.731 115.073 115.700 0.174 0.000 2.603 247 S HA -0.097 4.376 4.470 0.006 0.000 0.229 247 S C 1.121 175.763 174.600 0.071 0.000 0.972 247 S CA 0.836 59.121 58.200 0.141 0.000 0.935 247 S CB -0.439 62.836 63.200 0.125 0.000 0.769 247 S HN 0.600 nan 8.310 nan 0.000 0.536 248 D N 0.240 120.646 120.400 0.010 0.000 2.349 248 D HA -0.089 4.554 4.640 0.006 0.000 0.224 248 D C 1.136 177.251 176.300 -0.309 0.000 1.029 248 D CA 0.592 54.509 54.000 -0.139 0.000 0.879 248 D CB -0.434 40.250 40.800 -0.194 0.000 0.906 248 D HN 0.556 nan 8.370 nan 0.000 0.528 249 H N -0.537 118.578 119.070 0.075 0.000 3.091 249 H HA 0.362 4.922 4.556 0.006 0.000 0.249 249 H C 0.134 175.510 175.328 0.079 0.000 0.985 249 H CA -0.020 56.069 56.048 0.067 0.000 1.177 249 H CB 1.638 31.439 29.762 0.063 0.000 1.456 249 H HN 0.037 nan 8.280 nan 0.000 0.467 250 L N 1.915 123.256 121.223 0.197 0.000 2.406 250 L HA 0.259 4.602 4.340 0.006 0.000 0.270 250 L C 0.865 177.802 176.870 0.112 0.000 0.982 250 L CA -0.183 54.748 54.840 0.152 0.000 0.843 250 L CB 2.763 44.952 42.059 0.217 0.000 1.225 250 L HN -0.057 nan 8.230 nan 0.000 0.412 251 L N 1.342 122.584 121.223 0.032 0.000 2.313 251 L HA 0.063 4.406 4.340 0.006 0.000 0.214 251 L C 0.672 177.621 176.870 0.131 0.000 1.119 251 L CA 0.538 55.437 54.840 0.097 0.000 0.809 251 L CB -0.249 41.862 42.059 0.087 0.000 0.933 251 L HN 0.662 nan 8.230 nan 0.000 0.449 252 N N 1.327 120.090 118.700 0.105 0.000 2.475 252 N HA 0.007 4.751 4.740 0.006 0.000 0.267 252 N C -0.181 175.457 175.510 0.213 0.000 1.169 252 N CA 0.040 53.164 53.050 0.124 0.000 0.947 252 N CB 0.628 39.241 38.487 0.210 0.000 1.061 252 N HN 0.192 nan 8.380 nan 0.000 0.466 253 D N -0.818 119.619 120.400 0.061 0.000 2.530 253 D HA 0.114 4.757 4.640 0.006 0.000 0.253 253 D C -0.609 175.442 176.300 -0.415 0.000 1.338 253 D CA -0.088 53.963 54.000 0.084 0.000 0.806 253 D CB 0.272 41.069 40.800 -0.005 0.000 1.160 253 D HN 0.204 nan 8.370 nan 0.000 0.514 254 S N -0.691 114.577 115.700 -0.720 0.000 2.671 254 S HA 0.954 5.428 4.470 0.006 0.000 0.277 254 S C -1.292 172.741 174.600 -0.945 0.000 1.165 254 S CA -0.502 56.982 58.200 -1.194 0.000 0.822 254 S CB 1.982 64.371 63.200 -1.352 0.000 1.150 254 S HN 0.535 nan 8.310 nan 0.000 0.479 255 A N 0.463 122.891 122.820 -0.653 0.000 2.605 255 A HA 0.711 5.034 4.320 0.006 0.000 0.294 255 A C -1.960 175.534 177.584 -0.150 0.000 1.062 255 A CA -0.580 51.316 52.037 -0.235 0.000 0.682 255 A CB 1.087 20.103 19.000 0.026 0.000 1.278 255 A HN 0.695 nan 8.150 nan 0.000 0.410 256 V N 0.935 120.688 119.914 -0.268 0.000 2.407 256 V HA 0.788 4.911 4.120 0.006 0.000 0.291 256 V C 0.308 175.994 176.094 -0.680 0.000 1.018 256 V CA 0.144 62.231 62.300 -0.356 0.000 0.842 256 V CB 1.076 32.678 31.823 -0.369 0.000 0.996 256 V HN 1.696 nan 8.190 nan 0.000 0.426 257 A N 3.464 126.091 122.820 -0.321 0.000 2.469 257 A HA 1.000 5.323 4.320 0.006 0.000 0.299 257 A C -0.434 177.190 177.584 0.067 0.000 1.098 257 A CA -0.543 51.354 52.037 -0.232 0.000 0.737 257 A CB 2.512 21.495 19.000 -0.028 0.000 1.312 257 A HN 0.739 nan 8.150 nan 0.000 0.414 258 T N -0.765 113.885 114.554 0.161 0.000 2.665 258 T HA 0.509 4.862 4.350 0.006 0.000 0.303 258 T C -1.797 172.920 174.700 0.029 0.000 1.334 258 T CA -0.365 61.810 62.100 0.125 0.000 1.011 258 T CB 1.501 70.458 68.868 0.148 0.000 1.573 258 T HN 0.819 nan 8.240 nan 0.000 0.492 259 Q N 1.469 121.230 119.800 -0.064 0.000 2.353 259 Q HA 0.710 5.054 4.340 0.006 0.000 0.268 259 Q C -1.788 174.011 176.000 -0.335 0.000 1.045 259 Q CA -0.685 55.014 55.803 -0.174 0.000 0.811 259 Q CB 1.882 30.575 28.738 -0.075 0.000 1.305 259 Q HN 0.515 nan 8.270 nan 0.000 0.447 260 V N 5.164 124.681 119.914 -0.661 0.000 2.487 260 V HA 0.433 4.557 4.120 0.006 0.000 0.298 260 V C -2.332 173.455 176.094 -0.512 0.000 1.028 260 V CA -1.977 59.891 62.300 -0.720 0.000 0.860 260 V CB 1.544 32.608 31.823 -1.264 0.000 0.991 260 V HN 0.795 nan 8.190 nan 0.000 0.427 261 P HA 0.165 nan 4.420 nan 0.000 0.269 261 P C -0.779 176.556 177.300 0.058 0.000 1.209 261 P CA 0.241 63.300 63.100 -0.069 0.000 0.776 261 P CB 0.290 31.962 31.700 -0.046 0.000 0.876 262 H N 1.767 120.844 119.070 0.012 0.000 2.771 262 H HA 0.206 4.766 4.556 0.006 0.000 0.361 262 H C -1.250 174.096 175.328 0.029 0.000 1.108 262 H CA -0.573 55.525 56.048 0.084 0.000 1.201 262 H CB 1.716 31.598 29.762 0.199 0.000 1.681 262 H HN 0.254 nan 8.280 nan 0.000 0.534 263 D N 3.515 123.633 120.400 -0.471 0.000 2.468 263 D HA 0.070 4.713 4.640 0.006 0.000 0.218 263 D C 0.249 176.319 176.300 -0.384 0.000 1.155 263 D CA -0.139 53.675 54.000 -0.312 0.000 0.924 263 D CB 0.476 41.133 40.800 -0.237 0.000 1.029 263 D HN 0.486 nan 8.370 nan 0.000 0.515 264 D N 2.049 122.362 120.400 -0.144 0.000 2.219 264 D HA -0.133 4.510 4.640 0.006 0.000 0.205 264 D C 1.127 177.108 176.300 -0.531 0.000 0.970 264 D CA 0.710 54.595 54.000 -0.193 0.000 0.851 264 D CB 0.329 41.063 40.800 -0.110 0.000 0.943 264 D HN 0.492 nan 8.370 nan 0.000 0.488 265 D N 0.307 120.516 120.400 -0.320 0.000 2.117 265 D HA -0.064 4.580 4.640 0.006 0.000 0.198 265 D C 1.912 178.132 176.300 -0.133 0.000 0.982 265 D CA 1.100 54.988 54.000 -0.187 0.000 0.828 265 D CB 0.015 40.808 40.800 -0.011 0.000 0.967 265 D HN 0.170 nan 8.370 nan 0.000 0.464 266 A N 0.470 123.210 122.820 -0.134 0.000 2.030 266 A HA -0.017 4.306 4.320 0.006 0.000 0.215 266 A C 1.632 179.165 177.584 -0.085 0.000 1.164 266 A CA 0.662 52.645 52.037 -0.090 0.000 0.697 266 A CB 0.120 19.067 19.000 -0.089 0.000 0.827 266 A HN 0.112 nan 8.150 nan 0.000 0.457 267 N N -0.923 117.701 118.700 -0.126 0.000 2.159 267 N HA 0.255 4.999 4.740 0.006 0.000 0.217 267 N C 0.934 176.455 175.510 0.018 0.000 1.223 267 N CA 0.780 53.807 53.050 -0.038 0.000 0.896 267 N CB 0.974 39.439 38.487 -0.038 0.000 1.064 267 N HN 0.517 nan 8.380 nan 0.000 0.518 268 G N 1.065 109.814 108.800 -0.086 0.000 2.697 268 G HA2 -0.244 3.719 3.960 0.006 0.000 0.240 268 G HA3 -0.244 3.719 3.960 0.006 0.000 0.240 268 G C -0.775 174.154 174.900 0.047 0.000 1.346 268 G CA -0.274 44.792 45.100 -0.056 0.000 0.887 268 G HN 0.070 nan 8.290 nan 0.000 0.569 269 V N 0.396 120.349 119.914 0.065 0.000 2.638 269 V HA 0.462 4.586 4.120 0.006 0.000 0.306 269 V C 0.116 176.166 176.094 -0.073 0.000 1.052 269 V CA -0.693 61.608 62.300 0.002 0.000 0.885 269 V CB 1.770 33.634 31.823 0.068 0.000 0.999 269 V HN 0.785 nan 8.190 nan 0.000 0.424 270 E N 6.400 126.449 120.200 -0.250 0.000 2.299 270 E HA 0.164 4.518 4.350 0.006 0.000 0.272 270 E C -2.038 174.290 176.600 -0.454 0.000 1.043 270 E CA -1.448 54.627 56.400 -0.542 0.000 0.895 270 E CB 0.999 30.053 29.700 -1.075 0.000 1.011 270 E HN 0.463 nan 8.360 nan 0.000 0.432 271 P HA 0.052 nan 4.420 nan 0.000 0.235 271 P C -1.231 176.137 177.300 0.113 0.000 1.725 271 P CA 0.075 63.162 63.100 -0.021 0.000 0.894 271 P CB -0.645 31.083 31.700 0.047 0.000 1.704 272 F N -4.015 116.033 119.950 0.163 0.000 2.719 272 F HA 0.526 5.056 4.527 0.005 0.000 0.309 272 F C -0.939 175.043 175.800 0.302 0.000 1.138 272 F CA -1.215 56.893 58.000 0.180 0.000 0.943 272 F CB 0.237 39.312 39.000 0.124 0.000 1.304 272 F HN -0.441 nan 8.300 nan 0.000 0.445 273 T N 1.385 116.252 114.554 0.521 0.000 2.882 273 T HA 0.580 4.934 4.350 0.006 0.000 0.287 273 T C -0.470 174.434 174.700 0.340 0.000 0.992 273 T CA -0.481 61.823 62.100 0.339 0.000 1.076 273 T CB 1.280 70.327 68.868 0.297 0.000 0.961 273 T HN 0.657 nan 8.240 nan 0.000 0.490 274 S N 1.716 117.597 115.700 0.302 0.000 2.475 274 S HA 0.674 5.148 4.470 0.006 0.000 0.298 274 S C -0.318 174.456 174.600 0.290 0.000 1.119 274 S CA -0.807 57.551 58.200 0.264 0.000 1.085 274 S CB 1.390 64.782 63.200 0.319 0.000 1.028 274 S HN 0.856 nan 8.310 nan 0.000 0.489 275 A N 3.662 126.550 122.820 0.114 0.000 2.328 275 A HA 0.642 4.966 4.320 0.006 0.000 0.318 275 A C -0.499 177.449 177.584 0.607 0.000 1.347 275 A CA -0.569 51.687 52.037 0.365 0.000 0.842 275 A CB -0.143 18.611 19.000 -0.410 0.000 1.148 275 A HN 0.812 nan 8.150 nan 0.000 0.499 276 I N 2.793 123.744 120.570 0.636 0.000 2.307 276 I HA 0.396 4.570 4.170 0.006 0.000 0.289 276 I C 0.971 177.260 176.117 0.287 0.000 1.021 276 I CA -0.233 61.304 61.300 0.396 0.000 1.224 276 I CB 1.583 39.703 38.000 0.200 0.000 1.376 276 I HN 0.677 nan 8.210 nan 0.000 0.470 277 A N 8.367 131.162 122.820 -0.041 0.000 2.540 277 A HA 0.467 4.790 4.320 0.006 0.000 0.239 277 A C 0.185 177.770 177.584 0.001 0.000 1.061 277 A CA 0.258 52.120 52.037 -0.291 0.000 0.758 277 A CB 0.241 18.797 19.000 -0.739 0.000 0.991 277 A HN 0.680 nan 8.150 nan 0.000 0.502 278 M N 0.998 120.693 119.600 0.159 0.000 2.821 278 M HA 0.359 4.843 4.480 0.006 0.000 0.294 278 M C 0.843 177.306 176.300 0.272 0.000 1.195 278 M CA -0.606 54.717 55.300 0.039 0.000 0.784 278 M CB 1.013 33.469 32.600 -0.239 0.000 1.755 278 M HN 0.765 nan 8.290 nan 0.000 0.477 279 K N 0.070 120.562 120.400 0.153 0.000 2.155 279 K HA 0.056 4.379 4.320 0.006 0.000 0.203 279 K C 0.556 177.203 176.600 0.080 0.000 1.052 279 K CA 1.017 57.446 56.287 0.237 0.000 0.948 279 K CB 0.203 32.782 32.500 0.133 0.000 0.728 279 K HN 0.440 nan 8.250 nan 0.000 0.448 280 S N -0.131 115.483 115.700 -0.143 0.000 2.740 280 S HA 0.388 4.861 4.470 0.006 0.000 0.244 280 S C -0.161 173.697 174.600 -1.237 0.000 1.101 280 S CA -0.215 57.549 58.200 -0.726 0.000 1.123 280 S CB 1.484 64.558 63.200 -0.211 0.000 1.012 280 S HN 0.512 nan 8.310 nan 0.000 0.491 281 G N 1.491 109.656 108.800 -1.058 0.000 2.439 281 G HA2 0.284 4.247 3.960 0.006 0.000 0.186 281 G HA3 0.284 4.247 3.960 0.006 0.000 0.186 281 G C -2.120 172.980 174.900 0.332 0.000 1.260 281 G CA -0.261 44.598 45.100 -0.402 0.000 1.020 281 G HN 0.437 nan 8.290 nan 0.000 0.470 282 W N -0.620 120.904 121.300 0.374 0.000 3.074 282 W HA 0.776 5.439 4.660 0.006 0.000 0.332 282 W C -1.521 175.252 176.519 0.424 0.000 1.253 282 W CA -0.769 56.786 57.345 0.351 0.000 1.180 282 W CB 0.779 30.550 29.460 0.518 0.000 1.445 282 W HN 0.776 nan 8.180 nan 0.000 0.573 283 T N 2.295 117.039 114.554 0.316 0.000 2.841 283 T HA 0.411 4.764 4.350 0.006 0.000 0.283 283 T C -0.977 173.956 174.700 0.389 0.000 1.000 283 T CA -0.198 61.957 62.100 0.091 0.000 0.977 283 T CB 1.281 70.215 68.868 0.110 0.000 0.979 283 T HN 0.420 nan 8.240 nan 0.000 0.446 284 W N 2.638 124.027 121.300 0.149 0.000 2.448 284 W HA 0.779 5.443 4.660 0.006 0.000 0.339 284 W C -0.548 176.194 176.519 0.372 0.000 1.124 284 W CA -1.282 56.293 57.345 0.382 0.000 1.262 284 W CB 0.584 30.228 29.460 0.307 0.000 1.251 284 W HN 0.514 nan 8.180 nan 0.000 0.597 285 K N 4.357 125.143 120.400 0.643 0.000 2.579 285 K HA 0.462 4.785 4.320 0.006 0.000 0.250 285 K C -1.703 175.058 176.600 0.268 0.000 0.952 285 K CA -0.597 55.943 56.287 0.422 0.000 0.857 285 K CB 0.843 33.487 32.500 0.239 0.000 1.123 285 K HN 0.777 nan 8.250 nan 0.000 0.433 286 I N 6.563 127.284 120.570 0.251 0.000 2.428 286 I HA 0.273 4.446 4.170 0.006 0.000 0.279 286 I C -2.315 173.718 176.117 -0.140 0.000 1.040 286 I CA -2.523 58.687 61.300 -0.151 0.000 1.171 286 I CB 1.676 39.614 38.000 -0.103 0.000 1.312 286 I HN 0.359 nan 8.210 nan 0.000 0.470 287 P HA 0.233 nan 4.420 nan 0.000 0.267 287 P C -0.451 176.874 177.300 0.042 0.000 1.205 287 P CA 0.331 63.378 63.100 -0.089 0.000 0.765 287 P CB 0.746 32.353 31.700 -0.154 0.000 0.828 288 M N 1.908 121.545 119.600 0.062 0.000 2.803 288 M HA 0.384 4.868 4.480 0.006 0.000 0.283 288 M C -0.811 175.524 176.300 0.059 0.000 1.149 288 M CA -1.067 54.290 55.300 0.095 0.000 0.852 288 M CB 0.456 33.121 32.600 0.109 0.000 1.731 288 M HN -0.058 nan 8.290 nan 0.000 0.483 289 L N 1.853 123.094 121.223 0.030 0.000 2.283 289 L HA 0.352 4.695 4.340 0.006 0.000 0.287 289 L C 0.958 177.851 176.870 0.038 0.000 1.073 289 L CA 0.670 55.513 54.840 0.005 0.000 0.822 289 L CB -0.460 41.534 42.059 -0.108 0.000 1.186 289 L HN 0.943 nan 8.230 nan 0.000 0.436 290 G N 2.692 111.546 108.800 0.090 0.000 2.166 290 G HA2 -0.258 3.706 3.960 0.006 0.000 0.260 290 G HA3 -0.258 3.706 3.960 0.006 0.000 0.260 290 G C 0.349 175.319 174.900 0.117 0.000 0.986 290 G CA 0.680 45.844 45.100 0.106 0.000 0.683 290 G HN 0.783 nan 8.290 nan 0.000 0.527 291 R N -1.360 119.213 120.500 0.121 0.000 2.765 291 R HA 0.613 4.957 4.340 0.006 0.000 0.277 291 R C -1.536 174.814 176.300 0.085 0.000 1.028 291 R CA -0.416 55.726 56.100 0.071 0.000 0.860 291 R CB 0.136 30.421 30.300 -0.026 0.000 1.270 291 R HN 1.007 nan 8.270 nan 0.000 0.484 292 F N -1.094 118.792 119.950 -0.107 0.000 2.578 292 F HA 0.799 5.329 4.527 0.006 0.000 0.311 292 F C -0.181 175.564 175.800 -0.092 0.000 1.094 292 F CA -0.820 57.093 58.000 -0.146 0.000 0.923 292 F CB 1.997 40.834 39.000 -0.272 0.000 1.230 292 F HN 0.707 nan 8.300 nan 0.000 0.450 293 G N 0.650 109.541 108.800 0.151 0.000 2.395 293 G HA2 0.506 4.470 3.960 0.006 0.000 0.283 293 G HA3 0.506 4.470 3.960 0.006 0.000 0.283 293 G C -1.184 173.944 174.900 0.380 0.000 1.178 293 G CA -0.462 44.768 45.100 0.216 0.000 0.837 293 G HN 0.966 nan 8.290 nan 0.000 0.518 294 T N -0.644 114.028 114.554 0.197 0.000 2.932 294 T HA 0.720 5.074 4.350 0.006 0.000 0.318 294 T C -0.411 173.919 174.700 -0.617 0.000 1.265 294 T CA 0.102 62.135 62.100 -0.112 0.000 1.036 294 T CB 1.605 70.505 68.868 0.053 0.000 1.209 294 T HN 1.376 nan 8.240 nan 0.000 0.484 295 G N 2.304 110.102 108.800 -1.671 0.000 2.766 295 G HA2 0.489 4.453 3.960 0.006 0.000 0.297 295 G HA3 0.489 4.453 3.960 0.006 0.000 0.297 295 G C -2.168 172.023 174.900 -1.182 0.000 1.431 295 G CA -0.558 43.447 45.100 -1.826 0.000 1.042 295 G HN 0.632 nan 8.290 nan 0.000 0.542 296 Y N 3.332 122.993 120.300 -1.066 0.000 2.425 296 Y HA 0.544 5.098 4.550 0.006 0.000 0.347 296 Y C -0.322 175.357 175.900 -0.367 0.000 0.976 296 Y CA -1.390 56.366 58.100 -0.573 0.000 1.190 296 Y CB 1.099 39.291 38.460 -0.448 0.000 1.136 296 Y HN 0.282 nan 8.280 nan 0.000 0.517 297 V N 9.756 129.550 119.914 -0.199 0.000 2.406 297 V HA 0.251 4.375 4.120 0.006 0.000 0.272 297 V C -0.588 175.381 176.094 -0.208 0.000 1.043 297 V CA -0.266 61.925 62.300 -0.181 0.000 0.915 297 V CB -0.252 31.448 31.823 -0.205 0.000 0.988 297 V HN 0.693 nan 8.190 nan 0.000 0.466 298 Y N 2.204 122.219 120.300 -0.475 0.000 2.677 298 Y HA 0.759 5.313 4.550 0.006 0.000 0.334 298 Y C -0.235 175.483 175.900 -0.303 0.000 1.154 298 Y CA -1.582 56.175 58.100 -0.573 0.000 1.070 298 Y CB 1.683 39.527 38.460 -1.026 0.000 1.294 298 Y HN 0.339 nan 8.280 nan 0.000 0.475 299 S N 0.780 116.374 115.700 -0.178 0.000 2.422 299 S HA 0.268 4.741 4.470 0.006 0.000 0.308 299 S C 0.859 175.497 174.600 0.064 0.000 1.097 299 S CA -0.060 58.131 58.200 -0.015 0.000 1.099 299 S CB 0.214 63.599 63.200 0.309 0.000 0.976 299 S HN 0.997 nan 8.310 nan 0.000 0.471 300 S N 5.084 120.718 115.700 -0.110 0.000 2.465 300 S HA -0.097 4.376 4.470 0.006 0.000 0.241 300 S C 1.419 176.010 174.600 -0.014 0.000 1.000 300 S CA 0.676 58.858 58.200 -0.030 0.000 0.964 300 S CB -0.264 62.861 63.200 -0.124 0.000 0.763 300 S HN 0.802 nan 8.310 nan 0.000 0.512 301 R N -0.703 119.773 120.500 -0.040 0.000 2.310 301 R HA 0.342 4.686 4.340 0.006 0.000 0.202 301 R C 0.368 176.341 176.300 -0.544 0.000 0.933 301 R CA 0.539 56.478 56.100 -0.267 0.000 1.054 301 R CB -0.083 30.014 30.300 -0.337 0.000 0.985 301 R HN 0.521 nan 8.270 nan 0.000 0.489 302 F N -1.361 118.612 119.950 0.038 0.000 2.831 302 F HA 0.451 4.981 4.527 0.006 0.000 0.334 302 F C 0.296 176.105 175.800 0.014 0.000 1.071 302 F CA -0.457 57.569 58.000 0.044 0.000 1.172 302 F CB 1.052 40.109 39.000 0.095 0.000 1.054 302 F HN -0.169 nan 8.300 nan 0.000 0.572 303 A N 0.149 123.052 122.820 0.140 0.000 2.547 303 A HA 0.601 4.924 4.320 0.006 0.000 0.297 303 A C -0.133 177.453 177.584 0.003 0.000 1.056 303 A CA -0.439 51.614 52.037 0.026 0.000 0.688 303 A CB 0.470 19.419 19.000 -0.086 0.000 1.282 303 A HN 0.044 nan 8.150 nan 0.000 0.400 304 T N -1.347 113.175 114.554 -0.053 0.000 2.816 304 T HA 0.358 4.712 4.350 0.006 0.000 0.282 304 T C 0.943 175.574 174.700 -0.115 0.000 0.993 304 T CA 0.419 62.493 62.100 -0.042 0.000 0.994 304 T CB 1.126 69.969 68.868 -0.042 0.000 1.025 304 T HN 0.767 nan 8.240 nan 0.000 0.529 305 E N 0.187 120.357 120.200 -0.051 0.000 2.110 305 E HA -0.218 4.135 4.350 0.006 0.000 0.193 305 E C 1.227 177.751 176.600 -0.127 0.000 0.988 305 E CA 1.473 57.828 56.400 -0.075 0.000 0.804 305 E CB -0.108 29.585 29.700 -0.010 0.000 0.745 305 E HN 0.675 nan 8.360 nan 0.000 0.458 306 D N 0.522 120.873 120.400 -0.081 0.000 2.117 306 D HA -0.143 4.500 4.640 0.006 0.000 0.198 306 D C 1.757 178.012 176.300 -0.076 0.000 0.982 306 D CA 1.012 54.976 54.000 -0.061 0.000 0.828 306 D CB -0.136 40.641 40.800 -0.037 0.000 0.967 306 D HN 0.359 nan 8.370 nan 0.000 0.464 307 E N 0.706 120.846 120.200 -0.100 0.000 2.110 307 E HA -0.109 4.245 4.350 0.006 0.000 0.193 307 E C 2.086 178.614 176.600 -0.121 0.000 0.988 307 E CA 0.939 57.284 56.400 -0.091 0.000 0.804 307 E CB -0.005 29.645 29.700 -0.083 0.000 0.745 307 E HN 0.175 nan 8.360 nan 0.000 0.458 308 A N 0.995 123.635 122.820 -0.299 0.000 1.873 308 A HA -0.123 4.201 4.320 0.006 0.000 0.215 308 A C 2.517 180.067 177.584 -0.057 0.000 1.186 308 A CA 1.037 52.836 52.037 -0.397 0.000 0.616 308 A CB -0.642 17.528 19.000 -1.384 0.000 0.823 308 A HN 0.109 nan 8.150 nan 0.000 0.442 309 V N -0.174 119.698 119.914 -0.071 0.000 2.343 309 V HA -0.276 3.848 4.120 0.006 0.000 0.247 309 V C 2.653 178.812 176.094 0.109 0.000 1.051 309 V CA 2.370 64.715 62.300 0.074 0.000 1.036 309 V CB -0.801 31.042 31.823 0.034 0.000 0.654 309 V HN 0.526 nan 8.190 nan 0.000 0.451 310 R N -0.218 120.302 120.500 0.032 0.000 2.070 310 R HA -0.159 4.185 4.340 0.006 0.000 0.233 310 R C 2.407 178.706 176.300 -0.001 0.000 1.137 310 R CA 1.878 57.985 56.100 0.011 0.000 0.945 310 R CB -0.297 29.997 30.300 -0.011 0.000 0.845 310 R HN 0.604 nan 8.270 nan 0.000 0.430 311 E N -0.486 119.718 120.200 0.006 0.000 2.085 311 E HA -0.236 4.117 4.350 0.006 0.000 0.194 311 E C 1.709 178.255 176.600 -0.089 0.000 0.994 311 E CA 1.326 57.693 56.400 -0.055 0.000 0.801 311 E CB -0.187 29.489 29.700 -0.039 0.000 0.743 311 E HN 0.222 nan 8.360 nan 0.000 0.453 312 F N 1.111 120.979 119.950 -0.137 0.000 2.060 312 F HA -0.218 4.312 4.527 0.005 0.000 0.295 312 F C 2.230 177.986 175.800 -0.073 0.000 1.120 312 F CA 1.144 59.069 58.000 -0.126 0.000 1.205 312 F CB -0.672 38.357 39.000 0.047 0.000 0.986 312 F HN 0.021 nan 8.300 nan 0.000 0.470 313 C N 0.677 119.914 119.300 -0.105 0.000 2.413 313 C HA -0.171 4.292 4.460 0.006 0.000 0.277 313 C C 2.692 177.563 174.990 -0.198 0.000 1.265 313 C CA 1.350 60.255 59.018 -0.187 0.000 1.752 313 C CB -1.269 26.450 27.740 -0.035 0.000 1.998 313 C HN 0.542 nan 8.230 nan 0.000 0.489 314 E N 0.778 120.868 120.200 -0.182 0.000 2.153 314 E HA -0.249 4.104 4.350 0.006 0.000 0.194 314 E C 2.153 178.493 176.600 -0.433 0.000 0.988 314 E CA 1.611 57.879 56.400 -0.220 0.000 0.811 314 E CB -0.208 29.401 29.700 -0.153 0.000 0.746 314 E HN 0.815 nan 8.360 nan 0.000 0.466 315 M N -1.738 117.549 119.600 -0.520 0.000 2.319 315 M HA -0.058 4.425 4.480 0.006 0.000 0.265 315 M C 1.126 176.926 176.300 -0.833 0.000 1.068 315 M CA 1.410 56.268 55.300 -0.737 0.000 1.118 315 M CB -0.224 31.866 32.600 -0.851 0.000 1.395 315 M HN 0.026 nan 8.290 nan 0.000 0.435 316 W N 0.162 121.209 121.300 -0.422 0.000 3.239 316 W HA 0.268 4.931 4.660 0.006 0.000 0.348 316 W C -0.103 176.320 176.519 -0.160 0.000 1.183 316 W CA -0.687 56.501 57.345 -0.260 0.000 1.819 316 W CB 0.112 29.406 29.460 -0.277 0.000 1.091 316 W HN 0.349 nan 8.180 nan 0.000 0.629 317 H N 0.055 119.160 119.070 0.058 0.000 2.677 317 H HA -0.157 4.403 4.556 0.006 0.000 0.321 317 H C -0.234 175.110 175.328 0.026 0.000 1.171 317 H CA 0.918 56.984 56.048 0.030 0.000 1.139 317 H CB -1.994 27.796 29.762 0.047 0.000 1.515 317 H HN 0.211 nan 8.280 nan 0.000 0.423 318 L N 0.183 121.438 121.223 0.053 0.000 2.332 318 L HA 0.378 4.721 4.340 0.006 0.000 0.269 318 L C 0.853 177.732 176.870 0.015 0.000 1.016 318 L CA -0.869 53.984 54.840 0.022 0.000 0.809 318 L CB 1.370 43.409 42.059 -0.034 0.000 1.280 318 L HN 0.002 nan 8.230 nan 0.000 0.447 319 D N 1.141 121.550 120.400 0.015 0.000 2.359 319 D HA 0.243 4.886 4.640 0.006 0.000 0.230 319 D C -1.846 174.464 176.300 0.017 0.000 1.118 319 D CA -2.028 51.982 54.000 0.016 0.000 0.844 319 D CB 1.724 42.533 40.800 0.015 0.000 1.059 319 D HN 0.109 nan 8.370 nan 0.000 0.493 320 P HA -0.163 nan 4.420 nan 0.000 0.217 320 P C 0.850 178.165 177.300 0.025 0.000 1.151 320 P CA 1.008 64.125 63.100 0.028 0.000 0.849 320 P CB 0.354 32.068 31.700 0.022 0.000 0.787 321 E N -1.359 118.852 120.200 0.017 0.000 2.208 321 E HA -0.061 4.292 4.350 0.006 0.000 0.193 321 E C 1.643 178.251 176.600 0.014 0.000 0.988 321 E CA 1.688 58.096 56.400 0.014 0.000 0.828 321 E CB -0.728 28.978 29.700 0.010 0.000 0.763 321 E HN 0.437 nan 8.360 nan 0.000 0.478 322 T N -2.986 111.577 114.554 0.014 0.000 2.958 322 T HA 0.084 4.438 4.350 0.006 0.000 0.256 322 T C 0.930 175.638 174.700 0.013 0.000 0.983 322 T CA -0.396 61.711 62.100 0.012 0.000 0.924 322 T CB 0.260 69.133 68.868 0.008 0.000 1.136 322 T HN -0.163 nan 8.240 nan 0.000 0.506 323 Q N 4.476 124.286 119.800 0.016 0.000 2.289 323 Q HA 0.273 4.616 4.340 0.006 0.000 0.273 323 Q C -2.516 173.502 176.000 0.030 0.000 1.029 323 Q CA -2.041 53.772 55.803 0.016 0.000 0.896 323 Q CB 0.498 29.246 28.738 0.018 0.000 1.182 323 Q HN 0.225 nan 8.270 nan 0.000 0.385 324 P HA 0.096 nan 4.420 nan 0.000 0.271 324 P C -1.120 176.213 177.300 0.056 0.000 1.226 324 P CA 0.232 63.351 63.100 0.032 0.000 0.765 324 P CB 0.571 32.282 31.700 0.019 0.000 0.835 325 L N 3.360 124.621 121.223 0.063 0.000 2.381 325 L HA 0.459 4.803 4.340 0.006 0.000 0.268 325 L C 0.188 177.094 176.870 0.060 0.000 0.997 325 L CA -0.838 54.052 54.840 0.083 0.000 0.818 325 L CB 2.028 44.145 42.059 0.097 0.000 1.310 325 L HN 0.217 nan 8.230 nan 0.000 0.416 326 N N 2.096 120.832 118.700 0.059 0.000 2.425 326 N HA 0.426 5.169 4.740 0.006 0.000 0.268 326 N C -0.976 174.542 175.510 0.013 0.000 0.991 326 N CA -0.517 52.566 53.050 0.055 0.000 0.931 326 N CB 1.703 40.251 38.487 0.101 0.000 1.130 326 N HN 0.445 nan 8.380 nan 0.000 0.493 327 R N 1.708 122.207 120.500 -0.001 0.000 2.343 327 R HA 0.558 4.901 4.340 0.006 0.000 0.320 327 R C -0.661 175.597 176.300 -0.070 0.000 0.956 327 R CA -0.743 55.333 56.100 -0.040 0.000 0.836 327 R CB 1.479 31.761 30.300 -0.030 0.000 1.151 327 R HN 0.417 nan 8.270 nan 0.000 0.450 328 I N 1.739 122.219 120.570 -0.150 0.000 2.686 328 I HA 0.390 4.564 4.170 0.006 0.000 0.295 328 I C -1.424 174.375 176.117 -0.530 0.000 1.114 328 I CA -1.100 60.056 61.300 -0.239 0.000 1.038 328 I CB 1.899 39.830 38.000 -0.115 0.000 1.238 328 I HN 0.429 nan 8.210 nan 0.000 0.420 329 R N 6.911 127.111 120.500 -0.500 0.000 2.388 329 R HA 0.636 4.980 4.340 0.006 0.000 0.314 329 R C -1.963 173.967 176.300 -0.616 0.000 0.959 329 R CA -0.500 55.237 56.100 -0.606 0.000 0.851 329 R CB 0.215 30.300 30.300 -0.357 0.000 1.168 329 R HN 0.398 nan 8.270 nan 0.000 0.472 330 F N 1.291 120.947 119.950 -0.491 0.000 2.557 330 F HA 0.668 5.199 4.527 0.006 0.000 0.336 330 F C 0.195 175.611 175.800 -0.640 0.000 1.058 330 F CA -1.795 55.644 58.000 -0.935 0.000 0.988 330 F CB 0.616 38.817 39.000 -1.331 0.000 1.275 330 F HN 0.429 nan 8.300 nan 0.000 0.488 331 R N 0.444 120.615 120.500 -0.547 0.000 2.297 331 R HA 0.747 5.090 4.340 0.006 0.000 0.308 331 R C -1.778 174.655 176.300 0.222 0.000 1.029 331 R CA -0.732 55.260 56.100 -0.179 0.000 0.929 331 R CB 1.235 31.239 30.300 -0.493 0.000 1.046 331 R HN 0.533 nan 8.270 nan 0.000 0.461 332 V N 3.343 123.523 119.914 0.444 0.000 2.384 332 V HA 0.736 4.860 4.120 0.006 0.000 0.287 332 V C 0.674 177.140 176.094 0.621 0.000 1.020 332 V CA 0.445 63.102 62.300 0.595 0.000 0.850 332 V CB 0.716 32.822 31.823 0.471 0.000 0.987 332 V HN 1.150 nan 8.190 nan 0.000 0.436 333 G N 5.227 114.387 108.800 0.600 0.000 2.288 333 G HA2 0.295 4.258 3.960 0.006 0.000 0.227 333 G HA3 0.295 4.258 3.960 0.006 0.000 0.227 333 G C -1.011 173.549 174.900 -0.566 0.000 1.339 333 G CA -0.244 44.920 45.100 0.106 0.000 1.057 333 G HN 1.013 nan 8.290 nan 0.000 0.470 334 R N -0.770 119.115 120.500 -1.026 0.000 2.716 334 R HA 0.581 4.924 4.340 0.006 0.000 0.271 334 R C -1.073 174.777 176.300 -0.750 0.000 1.028 334 R CA -1.060 54.544 56.100 -0.827 0.000 0.883 334 R CB 0.471 30.251 30.300 -0.866 0.000 1.250 334 R HN 0.466 nan 8.270 nan 0.000 0.465 335 N N 0.979 119.513 118.700 -0.278 0.000 2.415 335 N HA 0.012 4.756 4.740 0.006 0.000 0.248 335 N C 0.597 176.021 175.510 -0.142 0.000 1.271 335 N CA -0.108 52.875 53.050 -0.111 0.000 0.913 335 N CB 0.817 39.332 38.487 0.048 0.000 1.129 335 N HN 0.633 nan 8.380 nan 0.000 0.444 336 R N 0.932 121.382 120.500 -0.083 0.000 2.105 336 R HA -0.061 4.283 4.340 0.006 0.000 0.239 336 R C -0.177 176.103 176.300 -0.034 0.000 1.135 336 R CA 1.419 57.483 56.100 -0.061 0.000 0.967 336 R CB 0.284 30.567 30.300 -0.028 0.000 0.861 336 R HN 0.494 nan 8.270 nan 0.000 0.442 337 R N -1.763 118.737 120.500 -0.001 0.000 2.538 337 R HA 0.310 4.654 4.340 0.006 0.000 0.292 337 R C -0.064 176.290 176.300 0.090 0.000 1.008 337 R CA 0.015 56.137 56.100 0.036 0.000 0.896 337 R CB 1.888 32.212 30.300 0.039 0.000 1.187 337 R HN 0.095 nan 8.270 nan 0.000 0.440 338 A N 2.868 125.770 122.820 0.137 0.000 1.968 338 A HA -0.074 4.249 4.320 0.006 0.000 0.217 338 A C 0.015 177.809 177.584 0.349 0.000 1.169 338 A CA 0.995 53.162 52.037 0.217 0.000 0.638 338 A CB 0.051 19.194 19.000 0.239 0.000 0.812 338 A HN 0.659 nan 8.150 nan 0.000 0.446 339 W N 0.036 121.431 121.300 0.158 0.000 2.538 339 W HA 0.567 5.231 4.660 0.005 0.000 0.322 339 W C -1.875 174.654 176.519 0.017 0.000 1.028 339 W CA -1.654 55.720 57.345 0.049 0.000 1.228 339 W CB 1.226 30.662 29.460 -0.040 0.000 1.356 339 W HN -0.097 nan 8.180 nan 0.000 0.452 340 V N 7.684 127.831 119.914 0.387 0.000 2.588 340 V HA 0.734 4.857 4.120 0.006 0.000 0.304 340 V C 0.836 177.039 176.094 0.182 0.000 1.042 340 V CA 0.154 62.542 62.300 0.146 0.000 0.877 340 V CB 0.946 32.823 31.823 0.089 0.000 0.996 340 V HN 1.028 nan 8.190 nan 0.000 0.425 341 G N 4.930 113.763 108.800 0.056 0.000 2.629 341 G HA2 -0.334 3.629 3.960 0.006 0.000 0.313 341 G HA3 -0.334 3.629 3.960 0.006 0.000 0.313 341 G C 0.480 175.530 174.900 0.249 0.000 1.217 341 G CA 0.768 45.919 45.100 0.085 0.000 0.994 341 G HN 1.260 nan 8.290 nan 0.000 0.549 342 N N 0.370 119.203 118.700 0.222 0.000 2.321 342 N HA 0.318 5.061 4.740 0.006 0.000 0.242 342 N C -0.182 175.456 175.510 0.212 0.000 1.141 342 N CA 0.609 53.815 53.050 0.260 0.000 0.864 342 N CB 0.052 38.670 38.487 0.219 0.000 1.100 342 N HN 0.879 nan 8.380 nan 0.000 0.510 343 C N 1.054 120.472 119.300 0.197 0.000 2.322 343 C HA 0.649 5.113 4.460 0.006 0.000 0.324 343 C C -0.673 174.316 174.990 -0.002 0.000 1.249 343 C CA -0.386 58.684 59.018 0.087 0.000 1.453 343 C CB -0.114 27.664 27.740 0.064 0.000 2.145 343 C HN 0.194 nan 8.230 nan 0.000 0.466 344 V N 6.819 126.596 119.914 -0.229 0.000 2.384 344 V HA 0.511 4.634 4.120 0.006 0.000 0.287 344 V C 0.404 176.417 176.094 -0.134 0.000 1.020 344 V CA -0.224 61.868 62.300 -0.346 0.000 0.850 344 V CB 1.685 33.032 31.823 -0.794 0.000 0.987 344 V HN 0.974 nan 8.190 nan 0.000 0.436 345 S N 6.176 121.872 115.700 -0.006 0.000 2.537 345 S HA 0.743 5.217 4.470 0.006 0.000 0.275 345 S C -0.657 173.954 174.600 0.017 0.000 1.272 345 S CA -0.607 57.600 58.200 0.011 0.000 1.050 345 S CB 1.101 64.332 63.200 0.050 0.000 0.961 345 S HN 0.460 nan 8.310 nan 0.000 0.496 346 I N 2.542 123.099 120.570 -0.021 0.000 2.499 346 I HA 0.691 4.864 4.170 0.006 0.000 0.288 346 I C 0.872 176.965 176.117 -0.039 0.000 1.048 346 I CA 0.364 61.648 61.300 -0.027 0.000 1.062 346 I CB 0.774 38.739 38.000 -0.058 0.000 1.238 346 I HN 1.162 nan 8.210 nan 0.000 0.426 347 G N 4.972 113.760 108.800 -0.020 0.000 2.466 347 G HA2 -0.239 3.725 3.960 0.006 0.000 0.218 347 G HA3 -0.239 3.725 3.960 0.006 0.000 0.218 347 G C 0.618 175.521 174.900 0.006 0.000 1.237 347 G CA 0.110 45.202 45.100 -0.013 0.000 0.954 347 G HN 0.733 nan 8.290 nan 0.000 0.580 348 T N -1.164 113.343 114.554 -0.078 0.000 3.072 348 T HA 0.117 4.471 4.350 0.006 0.000 0.266 348 T C 2.494 177.132 174.700 -0.103 0.000 1.127 348 T CA 2.257 64.270 62.100 -0.145 0.000 1.107 348 T CB -0.404 68.028 68.868 -0.727 0.000 0.910 348 T HN 1.862 nan 8.240 nan 0.000 0.513 349 S N 0.789 116.440 115.700 -0.082 0.000 2.481 349 S HA 0.003 4.477 4.470 0.006 0.000 0.231 349 S C 2.145 176.782 174.600 0.062 0.000 0.996 349 S CA 0.772 58.960 58.200 -0.021 0.000 0.942 349 S CB -0.365 62.814 63.200 -0.035 0.000 0.768 349 S HN 0.521 nan 8.310 nan 0.000 0.520 350 S N 0.321 116.056 115.700 0.058 0.000 2.444 350 S HA 0.261 4.735 4.470 0.006 0.000 0.223 350 S C 0.756 175.387 174.600 0.052 0.000 1.054 350 S CA 0.570 58.804 58.200 0.058 0.000 0.947 350 S CB -0.297 62.910 63.200 0.010 0.000 0.850 350 S HN 1.013 nan 8.310 nan 0.000 0.527 351 C N -1.000 118.334 119.300 0.056 0.000 3.306 351 C HA 0.862 5.325 4.460 0.006 0.000 0.335 351 C C -1.384 173.789 174.990 0.306 0.000 1.382 351 C CA -1.547 57.448 59.018 -0.037 0.000 1.254 351 C CB 0.409 27.751 27.740 -0.665 0.000 1.555 351 C HN 0.486 nan 8.230 nan 0.000 0.463 352 F N 0.511 120.604 119.950 0.239 0.000 2.672 352 F HA 0.734 5.264 4.527 0.006 0.000 0.311 352 F C -1.423 174.740 175.800 0.605 0.000 1.113 352 F CA -0.466 57.811 58.000 0.461 0.000 0.996 352 F CB 1.526 40.795 39.000 0.447 0.000 1.286 352 F HN 0.995 nan 8.300 nan 0.000 0.441 353 V N 5.211 124.852 119.914 -0.453 0.000 3.012 353 V HA 0.396 4.519 4.120 0.006 0.000 0.307 353 V C -1.145 174.451 176.094 -0.831 0.000 1.166 353 V CA -0.606 61.535 62.300 -0.266 0.000 0.974 353 V CB 2.100 33.967 31.823 0.073 0.000 1.040 353 V HN 0.888 nan 8.190 nan 0.000 0.428 354 E N 6.758 126.795 120.200 -0.270 0.000 2.508 354 E HA 0.033 4.387 4.350 0.006 0.000 0.266 354 E C -2.037 174.601 176.600 0.064 0.000 1.010 354 E CA -0.783 55.635 56.400 0.030 0.000 0.955 354 E CB 0.255 30.276 29.700 0.535 0.000 0.946 354 E HN 0.560 nan 8.360 nan 0.000 0.454 355 P HA -0.036 nan 4.420 nan 0.000 0.271 355 P C 0.721 178.222 177.300 0.335 0.000 1.535 355 P CA -0.018 63.192 63.100 0.182 0.000 0.820 355 P CB -0.030 31.697 31.700 0.044 0.000 1.606 356 L N 0.323 121.688 121.223 0.237 0.000 2.191 356 L HA -0.036 4.308 4.340 0.006 0.000 0.212 356 L C 1.325 178.106 176.870 -0.148 0.000 1.103 356 L CA 1.927 56.606 54.840 -0.269 0.000 0.769 356 L CB -0.457 41.289 42.059 -0.523 0.000 0.908 356 L HN -0.090 nan 8.230 nan 0.000 0.438 357 E N -0.818 119.398 120.200 0.026 0.000 2.995 357 E HA 0.226 4.579 4.350 0.006 0.000 0.203 357 E C 0.035 176.782 176.600 0.245 0.000 0.980 357 E CA 0.210 56.739 56.400 0.214 0.000 1.172 357 E CB 0.286 30.227 29.700 0.402 0.000 1.088 357 E HN 0.243 nan 8.360 nan 0.000 0.463 358 S N 0.468 116.252 115.700 0.141 0.000 3.524 358 S HA -0.179 4.294 4.470 0.006 0.000 0.377 358 S C 1.132 175.780 174.600 0.080 0.000 0.949 358 S CA 1.231 59.499 58.200 0.114 0.000 1.264 358 S CB -1.771 61.540 63.200 0.184 0.000 0.918 358 S HN 0.530 nan 8.310 nan 0.000 0.517 359 T N -3.140 111.377 114.554 -0.061 0.000 3.001 359 T HA 0.356 4.709 4.350 0.006 0.000 0.251 359 T C 1.982 176.345 174.700 -0.563 0.000 1.040 359 T CA 0.618 62.534 62.100 -0.307 0.000 0.985 359 T CB 0.156 68.696 68.868 -0.547 0.000 1.011 359 T HN 0.560 nan 8.240 nan 0.000 0.509 360 G N 2.704 111.321 108.800 -0.305 0.000 2.586 360 G HA2 -0.174 3.790 3.960 0.006 0.000 0.218 360 G HA3 -0.174 3.790 3.960 0.006 0.000 0.218 360 G C 1.366 176.222 174.900 -0.074 0.000 1.216 360 G CA 1.173 46.182 45.100 -0.152 0.000 0.786 360 G HN 0.544 nan 8.290 nan 0.000 0.583 361 I N -0.590 119.962 120.570 -0.031 0.000 2.252 361 I HA -0.120 4.053 4.170 0.006 0.000 0.245 361 I C 2.473 178.454 176.117 -0.227 0.000 1.102 361 I CA 1.144 62.432 61.300 -0.019 0.000 1.385 361 I CB -0.320 37.758 38.000 0.130 0.000 1.064 361 I HN 0.280 nan 8.210 nan 0.000 0.414 362 Y N 1.674 121.745 120.300 -0.382 0.000 2.114 362 Y HA -0.333 4.221 4.550 0.006 0.000 0.282 362 Y C 2.233 177.766 175.900 -0.612 0.000 1.165 362 Y CA 1.518 59.141 58.100 -0.794 0.000 1.148 362 Y CB -0.602 37.659 38.460 -0.332 0.000 0.972 362 Y HN 0.013 nan 8.280 nan 0.000 0.504 363 F N -0.448 119.181 119.950 -0.535 0.000 2.192 363 F HA -0.235 4.295 4.527 0.005 0.000 0.301 363 F C 2.484 178.012 175.800 -0.454 0.000 1.079 363 F CA 1.132 58.846 58.000 -0.477 0.000 1.303 363 F CB -1.398 37.524 39.000 -0.130 0.000 1.024 363 F HN 0.017 nan 8.300 nan 0.000 0.494 364 V N -0.133 119.646 119.914 -0.226 0.000 2.229 364 V HA -0.304 3.820 4.120 0.006 0.000 0.243 364 V C 2.260 178.179 176.094 -0.292 0.000 1.042 364 V CA 2.189 64.362 62.300 -0.211 0.000 1.000 364 V CB -1.235 30.489 31.823 -0.165 0.000 0.637 364 V HN 0.434 nan 8.190 nan 0.000 0.446 365 Y N 0.827 120.927 120.300 -0.334 0.000 2.439 365 Y HA 0.278 4.832 4.550 0.006 0.000 0.292 365 Y C 2.243 177.882 175.900 -0.435 0.000 1.130 365 Y CA 0.716 58.559 58.100 -0.429 0.000 1.254 365 Y CB -1.177 37.054 38.460 -0.382 0.000 1.000 365 Y HN 0.079 nan 8.280 nan 0.000 0.554 366 A N 1.463 123.965 122.820 -0.530 0.000 1.898 366 A HA 0.034 4.358 4.320 0.006 0.000 0.216 366 A C 2.488 179.977 177.584 -0.158 0.000 1.181 366 A CA 1.714 53.582 52.037 -0.281 0.000 0.620 366 A CB -1.262 17.336 19.000 -0.671 0.000 0.819 366 A HN 0.587 nan 8.150 nan 0.000 0.442 367 A N -0.315 122.387 122.820 -0.197 0.000 1.930 367 A HA 0.030 4.354 4.320 0.006 0.000 0.217 367 A C 2.140 179.741 177.584 0.030 0.000 1.175 367 A CA 1.347 53.350 52.037 -0.057 0.000 0.627 367 A CB -0.564 18.417 19.000 -0.032 0.000 0.815 367 A HN 0.451 nan 8.150 nan 0.000 0.443 368 L N -1.978 119.143 121.223 -0.170 0.000 2.083 368 L HA -0.191 4.153 4.340 0.006 0.000 0.209 368 L C 2.571 179.220 176.870 -0.368 0.000 1.083 368 L CA 1.717 56.371 54.840 -0.310 0.000 0.752 368 L CB -0.593 41.120 42.059 -0.576 0.000 0.899 368 L HN 0.634 nan 8.230 nan 0.000 0.433 369 Y N 0.532 120.513 120.300 -0.531 0.000 2.181 369 Y HA -0.260 4.293 4.550 0.006 0.000 0.288 369 Y C 2.712 178.595 175.900 -0.029 0.000 1.146 369 Y CA 1.481 59.393 58.100 -0.313 0.000 1.164 369 Y CB -0.026 38.239 38.460 -0.326 0.000 0.982 369 Y HN 0.137 nan 8.280 nan 0.000 0.515 370 Q N -0.083 119.808 119.800 0.151 0.000 2.167 370 Q HA -0.129 4.215 4.340 0.006 0.000 0.202 370 Q C 2.312 178.604 176.000 0.487 0.000 0.970 370 Q CA 1.258 57.221 55.803 0.266 0.000 0.855 370 Q CB -0.676 28.136 28.738 0.123 0.000 0.911 370 Q HN 0.543 nan 8.270 nan 0.000 0.438 371 L N 0.143 121.588 121.223 0.371 0.000 2.046 371 L HA -0.114 4.230 4.340 0.006 0.000 0.208 371 L C 2.129 179.126 176.870 0.212 0.000 1.077 371 L CA 1.424 56.323 54.840 0.098 0.000 0.747 371 L CB -0.701 41.263 42.059 -0.159 0.000 0.896 371 L HN -0.066 nan 8.230 nan 0.000 0.432 372 V N -0.049 119.951 119.914 0.142 0.000 2.427 372 V HA -0.284 3.840 4.120 0.006 0.000 0.248 372 V C 2.656 178.791 176.094 0.069 0.000 1.051 372 V CA 2.021 64.379 62.300 0.097 0.000 1.048 372 V CB -0.708 31.112 31.823 -0.005 0.000 0.666 372 V HN 0.547 nan 8.190 nan 0.000 0.456 373 K N -0.213 120.167 120.400 -0.033 0.000 2.097 373 K HA -0.180 4.143 4.320 0.006 0.000 0.206 373 K C 1.445 178.003 176.600 -0.070 0.000 1.049 373 K CA 1.625 57.838 56.287 -0.124 0.000 0.933 373 K CB -0.094 32.255 32.500 -0.252 0.000 0.717 373 K HN 0.609 nan 8.250 nan 0.000 0.442 374 H N -1.142 118.030 119.070 0.169 0.000 2.524 374 H HA 0.159 4.719 4.556 0.006 0.000 0.299 374 H C -0.948 174.539 175.328 0.265 0.000 1.074 374 H CA -0.602 55.588 56.048 0.236 0.000 1.115 374 H CB -0.272 29.706 29.762 0.360 0.000 1.522 374 H HN 0.017 nan 8.280 nan 0.000 0.543 375 F N 4.218 124.250 119.950 0.136 0.000 2.608 375 F HA 0.103 4.633 4.527 0.006 0.000 0.380 375 F C -1.733 174.145 175.800 0.131 0.000 1.083 375 F CA -1.868 56.183 58.000 0.084 0.000 1.266 375 F CB 0.639 39.644 39.000 0.009 0.000 1.076 375 F HN 0.162 nan 8.300 nan 0.000 0.574 376 P HA 0.330 nan 4.420 nan 0.000 0.289 376 P C -1.662 175.573 177.300 -0.108 0.000 1.300 376 P CA -0.523 62.532 63.100 -0.074 0.000 0.828 376 P CB 1.960 33.679 31.700 0.031 0.000 1.235 377 D N -1.503 118.888 120.400 -0.015 0.000 2.650 377 D HA 0.220 4.863 4.640 0.006 0.000 0.255 377 D C 0.819 177.116 176.300 -0.006 0.000 1.135 377 D CA -0.671 53.336 54.000 0.012 0.000 1.099 377 D CB 0.413 41.237 40.800 0.039 0.000 1.273 377 D HN 0.151 nan 8.370 nan 0.000 0.628 378 K N -0.602 119.804 120.400 0.009 0.000 2.442 378 K HA -0.049 4.275 4.320 0.006 0.000 0.198 378 K C 1.602 178.210 176.600 0.014 0.000 1.042 378 K CA 1.046 57.340 56.287 0.011 0.000 0.958 378 K CB -0.203 32.307 32.500 0.017 0.000 0.766 378 K HN 0.489 nan 8.250 nan 0.000 0.474 379 S N 0.754 116.460 115.700 0.010 0.000 2.522 379 S HA 0.006 4.480 4.470 0.006 0.000 0.227 379 S C 0.826 175.425 174.600 -0.002 0.000 0.986 379 S CA -0.102 58.102 58.200 0.005 0.000 0.929 379 S CB -0.587 62.615 63.200 0.004 0.000 0.769 379 S HN 0.342 nan 8.310 nan 0.000 0.529 380 L N 1.678 122.903 121.223 0.003 0.000 3.823 380 L HA -0.163 4.180 4.340 0.006 0.000 0.525 380 L C 0.128 176.962 176.870 -0.061 0.000 1.247 380 L CA -0.033 54.804 54.840 -0.005 0.000 0.776 380 L CB -2.080 39.988 42.059 0.015 0.000 1.443 380 L HN 0.452 nan 8.230 nan 0.000 0.831 381 N N 1.824 120.494 118.700 -0.050 0.000 2.365 381 N HA -0.012 4.731 4.740 0.006 0.000 0.265 381 N C -1.019 174.414 175.510 -0.129 0.000 1.288 381 N CA -0.868 52.144 53.050 -0.063 0.000 0.869 381 N CB 1.095 39.564 38.487 -0.030 0.000 1.071 381 N HN 0.110 nan 8.380 nan 0.000 0.480 382 P HA -0.152 nan 4.420 nan 0.000 0.216 382 P C 1.412 178.615 177.300 -0.162 0.000 1.150 382 P CA 0.727 63.728 63.100 -0.166 0.000 0.843 382 P CB 0.335 31.971 31.700 -0.107 0.000 0.787 383 V N -0.646 119.212 119.914 -0.093 0.000 2.407 383 V HA -0.231 3.893 4.120 0.006 0.000 0.248 383 V C 2.401 178.476 176.094 -0.032 0.000 1.055 383 V CA 1.608 63.879 62.300 -0.049 0.000 1.049 383 V CB -1.195 30.622 31.823 -0.010 0.000 0.662 383 V HN 0.093 nan 8.190 nan 0.000 0.455 384 L N -0.441 120.753 121.223 -0.049 0.000 2.046 384 L HA -0.161 4.182 4.340 0.006 0.000 0.208 384 L C 2.625 179.418 176.870 -0.128 0.000 1.077 384 L CA 1.946 56.810 54.840 0.039 0.000 0.747 384 L CB -1.119 40.974 42.059 0.056 0.000 0.896 384 L HN 0.336 nan 8.230 nan 0.000 0.432 385 T N 0.025 114.247 114.554 -0.554 0.000 2.737 385 T HA -0.145 4.209 4.350 0.006 0.000 0.265 385 T C 2.059 176.567 174.700 -0.321 0.000 1.038 385 T CA 1.324 62.857 62.100 -0.945 0.000 1.144 385 T CB -0.254 67.864 68.868 -1.250 0.000 0.866 385 T HN 0.432 nan 8.240 nan 0.000 0.434 386 A N 1.970 124.665 122.820 -0.209 0.000 1.908 386 A HA -0.136 4.187 4.320 0.006 0.000 0.218 386 A C 2.413 179.979 177.584 -0.031 0.000 1.181 386 A CA 1.201 53.182 52.037 -0.092 0.000 0.627 386 A CB -0.360 18.598 19.000 -0.071 0.000 0.818 386 A HN 0.182 nan 8.150 nan 0.000 0.445 387 R N -1.491 119.014 120.500 0.008 0.000 2.075 387 R HA -0.063 4.281 4.340 0.006 0.000 0.232 387 R C 1.929 178.152 176.300 -0.128 0.000 1.126 387 R CA 1.372 57.499 56.100 0.044 0.000 0.963 387 R CB -1.295 29.148 30.300 0.240 0.000 0.858 387 R HN 0.657 nan 8.270 nan 0.000 0.435 388 F N 2.674 122.386 119.950 -0.397 0.000 2.095 388 F HA -0.207 4.324 4.527 0.005 0.000 0.298 388 F C 1.797 177.515 175.800 -0.137 0.000 1.104 388 F CA 1.507 59.239 58.000 -0.446 0.000 1.232 388 F CB -0.305 38.671 39.000 -0.039 0.000 0.987 388 F HN -0.027 nan 8.300 nan 0.000 0.475 389 N N 0.602 119.315 118.700 0.022 0.000 2.149 389 N HA -0.202 4.542 4.740 0.006 0.000 0.188 389 N C 2.103 177.538 175.510 -0.125 0.000 1.019 389 N CA 1.208 54.232 53.050 -0.043 0.000 0.857 389 N CB -0.593 37.921 38.487 0.045 0.000 0.997 389 N HN 0.366 nan 8.380 nan 0.000 0.426 390 R N 1.105 121.553 120.500 -0.087 0.000 2.092 390 R HA -0.069 4.274 4.340 0.006 0.000 0.231 390 R C 1.308 177.575 176.300 -0.056 0.000 1.119 390 R CA 0.990 57.060 56.100 -0.049 0.000 0.970 390 R CB 0.150 30.446 30.300 -0.007 0.000 0.864 390 R HN 0.176 nan 8.270 nan 0.000 0.440 391 E N 0.688 120.829 120.200 -0.099 0.000 2.077 391 E HA -0.176 4.178 4.350 0.006 0.000 0.193 391 E C 2.034 178.600 176.600 -0.057 0.000 0.989 391 E CA 0.859 57.255 56.400 -0.007 0.000 0.800 391 E CB -0.165 29.508 29.700 -0.045 0.000 0.746 391 E HN 0.314 nan 8.360 nan 0.000 0.452 392 I N 1.714 122.111 120.570 -0.288 0.000 2.202 392 I HA -0.240 3.933 4.170 0.006 0.000 0.242 392 I C 2.549 178.581 176.117 -0.141 0.000 1.091 392 I CA 1.345 62.472 61.300 -0.287 0.000 1.368 392 I CB -1.360 36.384 38.000 -0.427 0.000 1.058 392 I HN 0.281 nan 8.210 nan 0.000 0.410 393 E N 0.531 120.673 120.200 -0.096 0.000 2.153 393 E HA -0.191 4.162 4.350 0.006 0.000 0.194 393 E C 1.839 178.456 176.600 0.029 0.000 0.988 393 E CA 1.852 58.242 56.400 -0.017 0.000 0.811 393 E CB -0.435 29.253 29.700 -0.020 0.000 0.746 393 E HN 0.348 nan 8.360 nan 0.000 0.466 394 T N 1.437 115.994 114.554 0.004 0.000 2.857 394 T HA -0.083 4.270 4.350 0.006 0.000 0.266 394 T C 1.760 176.462 174.700 0.003 0.000 1.048 394 T CA 1.251 63.357 62.100 0.011 0.000 1.139 394 T CB -0.202 68.667 68.868 0.002 0.000 0.874 394 T HN 0.255 nan 8.240 nan 0.000 0.455 395 M N 0.213 119.791 119.600 -0.037 0.000 2.080 395 M HA -0.119 4.364 4.480 0.006 0.000 0.260 395 M C 2.006 178.311 176.300 0.009 0.000 1.068 395 M CA 1.862 57.119 55.300 -0.072 0.000 1.109 395 M CB -0.266 32.280 32.600 -0.090 0.000 1.342 395 M HN 0.269 nan 8.290 nan 0.000 0.405 396 F N 1.263 121.094 119.950 -0.199 0.000 2.098 396 F HA -0.153 4.377 4.527 0.006 0.000 0.294 396 F C 1.709 177.536 175.800 0.045 0.000 1.107 396 F CA 1.921 59.822 58.000 -0.164 0.000 1.234 396 F CB -0.510 38.334 39.000 -0.259 0.000 1.002 396 F HN 0.209 nan 8.300 nan 0.000 0.472 397 D N 0.453 120.865 120.400 0.020 0.000 2.149 397 D HA -0.188 4.455 4.640 0.006 0.000 0.198 397 D C 1.832 178.088 176.300 -0.072 0.000 0.990 397 D CA 1.597 55.565 54.000 -0.054 0.000 0.839 397 D CB -0.557 40.260 40.800 0.029 0.000 0.948 397 D HN 0.328 nan 8.370 nan 0.000 0.460 398 D N -0.360 120.067 120.400 0.045 0.000 2.144 398 D HA -0.078 4.565 4.640 0.006 0.000 0.199 398 D C 1.970 178.344 176.300 0.124 0.000 0.984 398 D CA 1.020 55.104 54.000 0.140 0.000 0.834 398 D CB -0.396 40.592 40.800 0.313 0.000 0.955 398 D HN 0.159 nan 8.370 nan 0.000 0.465 399 T N 0.555 115.259 114.554 0.251 0.000 2.777 399 T HA -0.136 4.218 4.350 0.006 0.000 0.266 399 T C 1.903 176.566 174.700 -0.062 0.000 1.040 399 T CA 0.845 63.112 62.100 0.279 0.000 1.141 399 T CB 0.059 69.282 68.868 0.593 0.000 0.868 399 T HN 0.143 nan 8.240 nan 0.000 0.444 400 R N 1.063 121.402 120.500 -0.267 0.000 2.083 400 R HA -0.168 4.175 4.340 0.006 0.000 0.237 400 R C 1.744 177.966 176.300 -0.131 0.000 1.137 400 R CA 2.087 58.023 56.100 -0.273 0.000 0.951 400 R CB -0.394 29.671 30.300 -0.393 0.000 0.851 400 R HN 0.274 nan 8.270 nan 0.000 0.434 401 D N -0.017 120.306 120.400 -0.128 0.000 2.097 401 D HA -0.174 4.469 4.640 0.006 0.000 0.195 401 D C 1.589 177.889 176.300 0.001 0.000 0.989 401 D CA 1.071 55.025 54.000 -0.077 0.000 0.827 401 D CB -0.460 40.307 40.800 -0.056 0.000 0.966 401 D HN 0.188 nan 8.370 nan 0.000 0.456 402 F N 1.274 121.072 119.950 -0.253 0.000 2.102 402 F HA -0.097 4.433 4.527 0.006 0.000 0.298 402 F C 2.161 177.861 175.800 -0.167 0.000 1.105 402 F CA 0.941 58.729 58.000 -0.355 0.000 1.239 402 F CB -0.424 37.988 39.000 -0.979 0.000 0.991 402 F HN -0.102 nan 8.300 nan 0.000 0.474 403 I N -0.042 120.368 120.570 -0.266 0.000 2.252 403 I HA -0.325 3.849 4.170 0.006 0.000 0.245 403 I C 2.552 178.650 176.117 -0.032 0.000 1.102 403 I CA 1.640 62.715 61.300 -0.375 0.000 1.385 403 I CB -0.640 37.242 38.000 -0.196 0.000 1.064 403 I HN 0.260 nan 8.210 nan 0.000 0.414 404 Q N 1.302 121.161 119.800 0.099 0.000 2.135 404 Q HA -0.253 4.090 4.340 0.006 0.000 0.204 404 Q C 2.238 178.376 176.000 0.229 0.000 0.981 404 Q CA 2.033 57.983 55.803 0.244 0.000 0.856 404 Q CB -0.133 28.702 28.738 0.161 0.000 0.902 404 Q HN 0.538 nan 8.270 nan 0.000 0.425 405 A N -0.025 122.862 122.820 0.111 0.000 2.019 405 A HA -0.215 4.109 4.320 0.006 0.000 0.219 405 A C 1.452 179.106 177.584 0.117 0.000 1.164 405 A CA 1.644 53.777 52.037 0.160 0.000 0.644 405 A CB -0.802 18.275 19.000 0.129 0.000 0.805 405 A HN 0.563 nan 8.150 nan 0.000 0.449 406 H N -1.561 117.337 119.070 -0.287 0.000 2.421 406 H HA -0.065 4.495 4.556 0.005 0.000 0.298 406 H C 1.481 176.736 175.328 -0.122 0.000 1.087 406 H CA 2.030 57.797 56.048 -0.468 0.000 1.330 406 H CB -0.306 28.928 29.762 -0.881 0.000 1.388 406 H HN 0.614 nan 8.280 nan 0.000 0.526 407 F N -1.984 118.213 119.950 0.412 0.000 2.262 407 F HA -0.009 4.522 4.527 0.006 0.000 0.292 407 F C 2.212 178.160 175.800 0.247 0.000 1.081 407 F CA 0.367 58.627 58.000 0.433 0.000 1.355 407 F CB -0.847 38.269 39.000 0.192 0.000 1.069 407 F HN 0.049 nan 8.300 nan 0.000 0.506 408 Y N -0.452 119.924 120.300 0.126 0.000 2.207 408 Y HA -0.228 4.326 4.550 0.006 0.000 0.287 408 Y C 1.409 177.073 175.900 -0.393 0.000 1.156 408 Y CA 1.604 59.575 58.100 -0.215 0.000 1.182 408 Y CB -0.452 37.743 38.460 -0.442 0.000 0.979 408 Y HN -0.011 nan 8.280 nan 0.000 0.521 409 F N -0.882 119.201 119.950 0.221 0.000 2.664 409 F HA 0.226 4.757 4.527 0.006 0.000 0.303 409 F C 1.192 177.010 175.800 0.030 0.000 1.092 409 F CA -0.013 58.033 58.000 0.077 0.000 1.305 409 F CB -0.355 38.640 39.000 -0.009 0.000 1.054 409 F HN -0.213 nan 8.300 nan 0.000 0.565 410 S N 2.904 118.739 115.700 0.225 0.000 2.562 410 S HA 0.094 4.568 4.470 0.006 0.000 0.281 410 S C -0.980 173.659 174.600 0.065 0.000 1.333 410 S CA -1.102 57.202 58.200 0.174 0.000 1.052 410 S CB 0.836 64.188 63.200 0.253 0.000 0.884 410 S HN 0.036 nan 8.310 nan 0.000 0.506 411 P HA 0.010 nan 4.420 nan 0.000 0.231 411 P C -0.119 177.145 177.300 -0.059 0.000 1.168 411 P CA 0.214 63.305 63.100 -0.015 0.000 0.779 411 P CB 0.109 31.802 31.700 -0.011 0.000 0.844 412 R N 0.639 121.048 120.500 -0.151 0.000 2.640 412 R HA 0.147 4.490 4.340 0.006 0.000 0.270 412 R C 1.079 177.351 176.300 -0.047 0.000 1.024 412 R CA 1.285 57.258 56.100 -0.213 0.000 1.085 412 R CB -0.308 29.610 30.300 -0.636 0.000 0.963 412 R HN 0.170 nan 8.270 nan 0.000 0.426 413 T N -3.487 111.061 114.554 -0.010 0.000 3.328 413 T HA -0.013 4.340 4.350 0.006 0.000 0.305 413 T C 0.614 175.359 174.700 0.074 0.000 0.939 413 T CA -0.343 61.787 62.100 0.051 0.000 0.950 413 T CB 0.115 68.994 68.868 0.017 0.000 1.182 413 T HN 0.659 nan 8.240 nan 0.000 0.545 414 D N 2.142 122.585 120.400 0.072 0.000 2.348 414 D HA -0.018 4.625 4.640 0.006 0.000 0.216 414 D C 0.882 177.274 176.300 0.152 0.000 0.970 414 D CA 0.790 54.842 54.000 0.086 0.000 0.889 414 D CB -0.114 40.711 40.800 0.041 0.000 0.912 414 D HN 0.628 nan 8.370 nan 0.000 0.524 415 T N -4.748 109.953 114.554 0.245 0.000 2.883 415 T HA 0.405 4.758 4.350 0.006 0.000 0.301 415 T C -2.489 172.323 174.700 0.187 0.000 1.158 415 T CA -1.662 60.580 62.100 0.237 0.000 1.007 415 T CB 2.422 71.478 68.868 0.313 0.000 1.186 415 T HN -0.426 nan 8.240 nan 0.000 0.499 416 P HA -0.069 nan 4.420 nan 0.000 0.216 416 P C 1.248 178.474 177.300 -0.124 0.000 1.154 416 P CA 0.818 64.023 63.100 0.176 0.000 0.865 416 P CB -0.129 31.808 31.700 0.394 0.000 0.789 417 F N -0.945 118.699 119.950 -0.511 0.000 2.043 417 F HA -0.205 4.325 4.527 0.005 0.000 0.297 417 F C 1.951 177.340 175.800 -0.684 0.000 1.121 417 F CA 1.556 58.899 58.000 -1.096 0.000 1.199 417 F CB -1.248 37.233 39.000 -0.865 0.000 0.968 417 F HN -0.111 nan 8.300 nan 0.000 0.478 418 W N 0.759 121.884 121.300 -0.292 0.000 2.342 418 W HA -0.117 4.546 4.660 0.005 0.000 0.297 418 W C 2.648 178.993 176.519 -0.290 0.000 1.213 418 W CA 1.443 58.606 57.345 -0.304 0.000 1.251 418 W CB -0.464 28.976 29.460 -0.033 0.000 1.136 418 W HN -0.085 nan 8.180 nan 0.000 0.526 419 R N -0.109 120.381 120.500 -0.016 0.000 2.090 419 R HA -0.045 4.299 4.340 0.006 0.000 0.228 419 R C 2.346 178.569 176.300 -0.128 0.000 1.110 419 R CA 1.296 57.370 56.100 -0.043 0.000 0.973 419 R CB -0.894 29.412 30.300 0.010 0.000 0.869 419 R HN 0.155 nan 8.270 nan 0.000 0.440 420 A N 1.647 124.337 122.820 -0.218 0.000 1.969 420 A HA -0.146 4.177 4.320 0.006 0.000 0.218 420 A C 1.729 179.171 177.584 -0.238 0.000 1.169 420 A CA 1.190 53.118 52.037 -0.180 0.000 0.635 420 A CB -0.378 18.525 19.000 -0.162 0.000 0.810 420 A HN 0.243 nan 8.150 nan 0.000 0.445 421 N N 0.171 118.632 118.700 -0.397 0.000 2.223 421 N HA -0.123 4.621 4.740 0.006 0.000 0.185 421 N C 1.352 176.743 175.510 -0.199 0.000 1.016 421 N CA 1.323 54.192 53.050 -0.302 0.000 0.863 421 N CB -0.234 38.042 38.487 -0.351 0.000 0.983 421 N HN 0.569 nan 8.380 nan 0.000 0.429 422 K N 0.607 120.838 120.400 -0.282 0.000 2.504 422 K HA 0.017 4.340 4.320 0.006 0.000 0.195 422 K C 0.808 177.223 176.600 -0.309 0.000 1.036 422 K CA 0.570 56.571 56.287 -0.478 0.000 0.984 422 K CB 0.294 32.574 32.500 -0.368 0.000 0.788 422 K HN 0.083 nan 8.250 nan 0.000 0.488 423 E N 0.337 120.455 120.200 -0.137 0.000 2.481 423 E HA 0.113 4.466 4.350 0.006 0.000 0.198 423 E C 0.493 177.105 176.600 0.019 0.000 1.027 423 E CA 0.094 56.465 56.400 -0.047 0.000 0.900 423 E CB 0.298 29.981 29.700 -0.029 0.000 0.993 423 E HN 0.253 nan 8.360 nan 0.000 0.482 424 L N 0.642 121.898 121.223 0.053 0.000 2.479 424 L HA 0.277 4.620 4.340 0.006 0.000 0.248 424 L C 0.879 177.840 176.870 0.152 0.000 1.205 424 L CA -0.343 54.541 54.840 0.075 0.000 0.817 424 L CB 0.534 42.634 42.059 0.068 0.000 1.162 424 L HN -0.167 nan 8.230 nan 0.000 0.486 425 R N 0.867 121.396 120.500 0.048 0.000 2.393 425 R HA 0.510 4.853 4.340 0.006 0.000 0.310 425 R C -1.105 175.216 176.300 0.035 0.000 0.968 425 R CA -0.683 55.441 56.100 0.040 0.000 0.867 425 R CB 1.059 31.363 30.300 0.007 0.000 1.124 425 R HN 0.506 nan 8.270 nan 0.000 0.450 426 L N 3.268 124.445 121.223 -0.078 0.000 2.395 426 L HA 0.375 4.718 4.340 0.006 0.000 0.269 426 L C 0.646 177.548 176.870 0.053 0.000 1.133 426 L CA -0.578 54.209 54.840 -0.088 0.000 0.812 426 L CB 1.400 43.274 42.059 -0.308 0.000 1.125 426 L HN 0.762 nan 8.230 nan 0.000 0.452 427 A N 1.579 124.432 122.820 0.055 0.000 2.466 427 A HA 0.019 4.343 4.320 0.006 0.000 0.238 427 A C 0.861 178.444 177.584 -0.001 0.000 1.074 427 A CA -0.366 51.691 52.037 0.033 0.000 0.774 427 A CB 0.121 19.044 19.000 -0.128 0.000 1.015 427 A HN 0.867 nan 8.150 nan 0.000 0.498 428 D N 2.159 122.567 120.400 0.013 0.000 2.133 428 D HA -0.175 4.469 4.640 0.006 0.000 0.192 428 D C 2.049 178.341 176.300 -0.014 0.000 1.001 428 D CA 2.152 56.153 54.000 0.002 0.000 0.844 428 D CB -0.590 40.216 40.800 0.009 0.000 0.944 428 D HN 0.729 nan 8.370 nan 0.000 0.447 429 G N 0.393 109.181 108.800 -0.019 0.000 2.442 429 G HA2 -0.282 3.681 3.960 0.006 0.000 0.219 429 G HA3 -0.282 3.681 3.960 0.006 0.000 0.219 429 G C 1.576 176.452 174.900 -0.041 0.000 1.141 429 G CA 1.068 46.153 45.100 -0.025 0.000 0.763 429 G HN 0.186 nan 8.290 nan 0.000 0.554 430 M N -0.005 119.567 119.600 -0.047 0.000 2.200 430 M HA 0.102 4.585 4.480 0.006 0.000 0.265 430 M C 2.396 178.661 176.300 -0.058 0.000 1.066 430 M CA 1.469 56.736 55.300 -0.054 0.000 1.127 430 M CB -0.273 32.295 32.600 -0.053 0.000 1.379 430 M HN 0.257 nan 8.290 nan 0.000 0.420 431 Q N 0.487 120.259 119.800 -0.047 0.000 2.124 431 Q HA -0.217 4.127 4.340 0.006 0.000 0.202 431 Q C 1.934 177.916 176.000 -0.030 0.000 0.977 431 Q CA 2.337 58.122 55.803 -0.031 0.000 0.850 431 Q CB -0.389 28.338 28.738 -0.018 0.000 0.901 431 Q HN 0.737 nan 8.270 nan 0.000 0.429 432 E N -0.269 119.908 120.200 -0.037 0.000 2.110 432 E HA -0.210 4.144 4.350 0.006 0.000 0.193 432 E C 1.663 178.223 176.600 -0.067 0.000 0.988 432 E CA 1.085 57.461 56.400 -0.040 0.000 0.804 432 E CB 0.018 29.698 29.700 -0.034 0.000 0.745 432 E HN 0.308 nan 8.360 nan 0.000 0.458 433 K N 0.220 120.558 120.400 -0.105 0.000 2.057 433 K HA -0.136 4.188 4.320 0.006 0.000 0.207 433 K C 2.143 178.641 176.600 -0.170 0.000 1.049 433 K CA 1.284 57.461 56.287 -0.183 0.000 0.931 433 K CB -0.066 32.259 32.500 -0.292 0.000 0.714 433 K HN 0.222 nan 8.250 nan 0.000 0.440 434 I N 2.034 122.523 120.570 -0.134 0.000 2.226 434 I HA -0.252 3.922 4.170 0.006 0.000 0.245 434 I C 1.684 177.775 176.117 -0.043 0.000 1.100 434 I CA 1.551 62.782 61.300 -0.116 0.000 1.374 434 I CB -1.094 36.885 38.000 -0.034 0.000 1.057 434 I HN 0.178 nan 8.210 nan 0.000 0.413 435 D N 0.634 121.015 120.400 -0.032 0.000 2.104 435 D HA -0.204 4.440 4.640 0.006 0.000 0.194 435 D C 2.368 178.643 176.300 -0.040 0.000 0.994 435 D CA 1.332 55.317 54.000 -0.024 0.000 0.830 435 D CB -0.223 40.566 40.800 -0.019 0.000 0.959 435 D HN 0.285 nan 8.370 nan 0.000 0.452 436 M N -0.602 118.970 119.600 -0.046 0.000 2.080 436 M HA -0.216 4.268 4.480 0.006 0.000 0.260 436 M C 2.246 178.511 176.300 -0.057 0.000 1.068 436 M CA 1.314 56.586 55.300 -0.047 0.000 1.109 436 M CB -0.435 32.136 32.600 -0.049 0.000 1.342 436 M HN 0.055 nan 8.290 nan 0.000 0.405 437 Y N 1.167 121.334 120.300 -0.221 0.000 2.114 437 Y HA -0.259 4.294 4.550 0.005 0.000 0.282 437 Y C 2.337 178.055 175.900 -0.304 0.000 1.165 437 Y CA 1.822 59.739 58.100 -0.304 0.000 1.148 437 Y CB -0.232 37.976 38.460 -0.420 0.000 0.972 437 Y HN 0.069 nan 8.280 nan 0.000 0.504 438 R N -0.212 120.174 120.500 -0.191 0.000 2.193 438 R HA -0.051 4.292 4.340 0.006 0.000 0.229 438 R C 1.993 178.151 176.300 -0.236 0.000 1.110 438 R CA 0.806 56.752 56.100 -0.256 0.000 0.988 438 R CB -0.419 29.817 30.300 -0.106 0.000 0.871 438 R HN 0.405 nan 8.270 nan 0.000 0.458 439 A N 0.044 122.757 122.820 -0.180 0.000 2.278 439 A HA 0.256 4.579 4.320 0.006 0.000 0.212 439 A C 1.373 178.860 177.584 -0.161 0.000 1.213 439 A CA 0.685 52.642 52.037 -0.134 0.000 0.840 439 A CB 0.026 18.979 19.000 -0.079 0.000 0.866 439 A HN 0.423 nan 8.150 nan 0.000 0.489 440 G N -1.487 107.151 108.800 -0.269 0.000 2.176 440 G HA2 -0.260 3.704 3.960 0.006 0.000 0.253 440 G HA3 -0.260 3.704 3.960 0.006 0.000 0.253 440 G C 0.238 174.997 174.900 -0.234 0.000 0.979 440 G CA 0.387 45.311 45.100 -0.294 0.000 0.641 440 G HN 0.415 nan 8.290 nan 0.000 0.530 441 M N 1.055 120.588 119.600 -0.111 0.000 2.255 441 M HA 0.583 5.066 4.480 0.006 0.000 0.336 441 M C 0.994 177.395 176.300 0.169 0.000 1.135 441 M CA 0.224 55.561 55.300 0.062 0.000 1.145 441 M CB 1.135 33.754 32.600 0.033 0.000 1.473 441 M HN 0.425 nan 8.290 nan 0.000 0.462 442 A N 2.847 125.884 122.820 0.362 0.000 2.332 442 A HA 0.632 4.955 4.320 0.006 0.000 0.258 442 A C -0.380 177.314 177.584 0.183 0.000 1.087 442 A CA -0.440 51.840 52.037 0.404 0.000 0.802 442 A CB 0.177 19.356 19.000 0.298 0.000 1.042 442 A HN 0.820 nan 8.150 nan 0.000 0.489 443 I N 1.623 122.278 120.570 0.142 0.000 2.382 443 I HA 0.213 4.386 4.170 0.006 0.000 0.286 443 I C -0.461 175.675 176.117 0.032 0.000 1.002 443 I CA -0.490 60.775 61.300 -0.059 0.000 1.135 443 I CB 0.994 38.739 38.000 -0.425 0.000 1.288 443 I HN 0.715 nan 8.210 nan 0.000 0.448 444 N N 4.100 122.823 118.700 0.039 0.000 2.714 444 N HA -0.179 4.564 4.740 0.006 0.000 0.253 444 N C -0.047 175.535 175.510 0.120 0.000 1.024 444 N CA 0.830 53.938 53.050 0.097 0.000 0.726 444 N CB -0.821 37.764 38.487 0.163 0.000 0.908 444 N HN 0.780 nan 8.380 nan 0.000 0.542 445 A N 0.578 123.469 122.820 0.119 0.000 2.531 445 A HA 0.344 4.667 4.320 0.006 0.000 0.236 445 A C -1.346 176.313 177.584 0.125 0.000 1.062 445 A CA -0.547 51.567 52.037 0.129 0.000 0.760 445 A CB 0.121 19.238 19.000 0.195 0.000 0.995 445 A HN 0.242 nan 8.150 nan 0.000 0.501 446 P HA 0.207 nan 4.420 nan 0.000 0.275 446 P C 0.656 178.066 177.300 0.183 0.000 1.228 446 P CA 0.408 63.542 63.100 0.057 0.000 0.786 446 P CB 1.243 32.861 31.700 -0.136 0.000 0.927 447 A N 2.630 125.526 122.820 0.127 0.000 1.978 447 A HA -0.064 4.259 4.320 0.006 0.000 0.220 447 A C 1.303 178.945 177.584 0.096 0.000 1.170 447 A CA 1.742 53.835 52.037 0.093 0.000 0.636 447 A CB -0.615 18.428 19.000 0.072 0.000 0.810 447 A HN 0.671 nan 8.150 nan 0.000 0.448 448 S N -1.499 114.286 115.700 0.141 0.000 2.595 448 S HA 0.438 4.911 4.470 0.006 0.000 0.281 448 S C -0.571 174.123 174.600 0.158 0.000 1.117 448 S CA 0.032 58.319 58.200 0.145 0.000 0.873 448 S CB 1.551 64.798 63.200 0.077 0.000 1.108 448 S HN 0.338 nan 8.310 nan 0.000 0.477 449 D N 0.791 121.296 120.400 0.175 0.000 2.342 449 D HA 0.127 4.771 4.640 0.006 0.000 0.221 449 D C -0.120 176.163 176.300 -0.029 0.000 1.101 449 D CA -0.168 53.838 54.000 0.010 0.000 0.837 449 D CB -0.082 40.714 40.800 -0.007 0.000 0.938 449 D HN 0.388 nan 8.370 nan 0.000 0.508 450 D N 0.870 121.276 120.400 0.010 0.000 2.402 450 D HA 0.255 4.899 4.640 0.006 0.000 0.235 450 D C 1.273 177.581 176.300 0.013 0.000 1.226 450 D CA -0.176 53.834 54.000 0.017 0.000 0.918 450 D CB 1.100 41.923 40.800 0.039 0.000 1.043 450 D HN 0.106 nan 8.370 nan 0.000 0.506 451 A N 4.370 127.190 122.820 -0.001 0.000 2.032 451 A HA -0.222 4.101 4.320 0.006 0.000 0.221 451 A C 1.977 179.642 177.584 0.135 0.000 1.165 451 A CA 1.143 53.190 52.037 0.017 0.000 0.645 451 A CB -0.194 18.875 19.000 0.116 0.000 0.807 451 A HN 0.521 nan 8.150 nan 0.000 0.453 452 Q N -0.332 119.545 119.800 0.129 0.000 2.119 452 Q HA -0.070 4.274 4.340 0.006 0.000 0.201 452 Q C 2.145 178.226 176.000 0.134 0.000 0.972 452 Q CA 1.214 57.103 55.803 0.144 0.000 0.847 452 Q CB -0.419 28.379 28.738 0.100 0.000 0.903 452 Q HN 0.765 nan 8.270 nan 0.000 0.433 453 L N -1.018 120.270 121.223 0.108 0.000 2.027 453 L HA -0.194 4.150 4.340 0.006 0.000 0.206 453 L C 2.321 179.260 176.870 0.115 0.000 1.074 453 L CA 1.229 56.131 54.840 0.103 0.000 0.745 453 L CB -0.732 41.380 42.059 0.090 0.000 0.898 453 L HN 0.157 nan 8.230 nan 0.000 0.433 454 Y N 0.433 120.692 120.300 -0.069 0.000 2.030 454 Y HA -0.344 4.209 4.550 0.004 0.000 0.274 454 Y C 2.515 178.344 175.900 -0.118 0.000 1.153 454 Y CA 1.866 59.859 58.100 -0.177 0.000 1.115 454 Y CB -0.639 37.579 38.460 -0.404 0.000 0.969 454 Y HN 0.034 nan 8.280 nan 0.000 0.488 455 Y N -0.614 119.765 120.300 0.132 0.000 2.571 455 Y HA 0.074 4.627 4.550 0.004 0.000 0.294 455 Y C 2.428 178.368 175.900 0.065 0.000 1.141 455 Y CA 0.824 58.950 58.100 0.042 0.000 1.308 455 Y CB -0.841 37.659 38.460 0.066 0.000 1.002 455 Y HN 0.235 nan 8.280 nan 0.000 0.551 456 G N -0.880 108.042 108.800 0.203 0.000 2.939 456 G HA2 -0.071 3.892 3.960 0.006 0.000 0.210 456 G HA3 -0.071 3.892 3.960 0.006 0.000 0.210 456 G C 0.176 175.165 174.900 0.149 0.000 1.160 456 G CA -0.216 44.984 45.100 0.166 0.000 0.770 456 G HN 0.355 nan 8.290 nan 0.000 0.543 457 N N -0.626 118.148 118.700 0.123 0.000 2.573 457 N HA 0.257 5.001 4.740 0.006 0.000 0.262 457 N C 0.241 175.813 175.510 0.104 0.000 1.029 457 N CA -0.736 52.387 53.050 0.121 0.000 0.882 457 N CB 0.731 39.272 38.487 0.090 0.000 1.204 457 N HN -0.099 nan 8.380 nan 0.000 0.519 458 F N 2.953 122.894 119.950 -0.016 0.000 2.126 458 F HA -0.128 4.401 4.527 0.005 0.000 0.299 458 F C 2.222 177.975 175.800 -0.078 0.000 1.096 458 F CA 1.541 59.484 58.000 -0.095 0.000 1.255 458 F CB 0.235 39.070 39.000 -0.276 0.000 0.997 458 F HN 0.571 nan 8.300 nan 0.000 0.479 459 E N 0.352 120.562 120.200 0.016 0.000 2.085 459 E HA -0.260 4.093 4.350 0.006 0.000 0.194 459 E C 2.158 178.757 176.600 -0.003 0.000 0.994 459 E CA 1.496 57.917 56.400 0.035 0.000 0.801 459 E CB -0.417 29.372 29.700 0.148 0.000 0.743 459 E HN 0.489 nan 8.360 nan 0.000 0.453 460 E N 0.858 121.051 120.200 -0.012 0.000 2.031 460 E HA -0.194 4.160 4.350 0.006 0.000 0.193 460 E C 2.015 178.542 176.600 -0.121 0.000 0.994 460 E CA 1.765 58.155 56.400 -0.016 0.000 0.800 460 E CB -0.132 29.575 29.700 0.012 0.000 0.752 460 E HN 0.309 nan 8.360 nan 0.000 0.447 461 E N -1.156 118.840 120.200 -0.341 0.000 2.072 461 E HA -0.178 4.175 4.350 0.006 0.000 0.191 461 E C 1.892 178.327 176.600 -0.276 0.000 0.985 461 E CA 0.882 56.923 56.400 -0.598 0.000 0.801 461 E CB -0.328 28.896 29.700 -0.792 0.000 0.750 461 E HN 0.351 nan 8.360 nan 0.000 0.452 462 F N 1.638 121.285 119.950 -0.505 0.000 2.161 462 F HA -0.101 4.429 4.527 0.005 0.000 0.300 462 F C 2.033 177.749 175.800 -0.140 0.000 1.089 462 F CA 1.468 59.220 58.000 -0.413 0.000 1.282 462 F CB 0.111 38.716 39.000 -0.658 0.000 1.010 462 F HN -0.082 nan 8.300 nan 0.000 0.485 463 R N -0.641 119.849 120.500 -0.018 0.000 2.276 463 R HA -0.039 4.304 4.340 0.006 0.000 0.203 463 R C 0.306 176.604 176.300 -0.004 0.000 1.017 463 R CA 0.981 57.084 56.100 0.005 0.000 1.010 463 R CB -0.336 30.011 30.300 0.078 0.000 0.900 463 R HN 0.180 nan 8.270 nan 0.000 0.469 464 N N -0.286 118.418 118.700 0.006 0.000 2.622 464 N HA 0.012 4.756 4.740 0.006 0.000 0.293 464 N C -0.108 175.450 175.510 0.081 0.000 1.788 464 N CA -0.229 52.873 53.050 0.086 0.000 0.860 464 N CB -0.046 38.542 38.487 0.168 0.000 1.388 464 N HN -0.096 nan 8.380 nan 0.000 0.496 465 F N 0.336 120.148 119.950 -0.230 0.000 2.095 465 F HA 0.181 4.711 4.527 0.006 0.000 0.298 465 F C -0.024 175.502 175.800 -0.457 0.000 1.104 465 F CA 1.447 59.181 58.000 -0.442 0.000 1.232 465 F CB 0.158 38.730 39.000 -0.713 0.000 0.987 465 F HN 0.205 nan 8.300 nan 0.000 0.475 466 W N 3.417 124.625 121.300 -0.153 0.000 2.288 466 W HA 0.246 4.910 4.660 0.006 0.000 0.325 466 W C 0.029 176.464 176.519 -0.141 0.000 1.019 466 W CA -0.986 56.113 57.345 -0.410 0.000 1.403 466 W CB 0.007 29.141 29.460 -0.543 0.000 1.226 466 W HN -0.007 nan 8.180 nan 0.000 0.391 467 N N 1.070 119.796 118.700 0.043 0.000 2.518 467 N HA 0.160 4.903 4.740 0.006 0.000 0.284 467 N C 0.691 176.337 175.510 0.226 0.000 1.230 467 N CA -0.587 52.540 53.050 0.127 0.000 0.941 467 N CB 0.770 39.239 38.487 -0.031 0.000 1.219 467 N HN 0.381 nan 8.380 nan 0.000 0.560 468 N N 0.273 119.114 118.700 0.233 0.000 2.132 468 N HA -0.217 4.526 4.740 0.006 0.000 0.191 468 N C 1.159 176.850 175.510 0.302 0.000 1.015 468 N CA 2.101 55.335 53.050 0.306 0.000 0.864 468 N CB -0.088 38.536 38.487 0.228 0.000 1.006 468 N HN 0.538 nan 8.380 nan 0.000 0.430 469 S N 0.094 115.899 115.700 0.176 0.000 2.356 469 S HA -0.096 4.377 4.470 0.006 0.000 0.223 469 S C 1.576 176.341 174.600 0.274 0.000 1.032 469 S CA 1.126 59.478 58.200 0.254 0.000 1.005 469 S CB -0.469 62.835 63.200 0.174 0.000 0.867 469 S HN 0.495 nan 8.310 nan 0.000 0.449 470 N N 0.747 119.531 118.700 0.140 0.000 2.084 470 N HA -0.079 4.664 4.740 0.006 0.000 0.190 470 N C 1.590 176.965 175.510 -0.226 0.000 1.030 470 N CA 1.335 54.374 53.050 -0.019 0.000 0.849 470 N CB -0.565 37.876 38.487 -0.075 0.000 1.012 470 N HN 0.445 nan 8.380 nan 0.000 0.423 471 Y N 0.255 120.494 120.300 -0.102 0.000 2.181 471 Y HA -0.156 4.397 4.550 0.005 0.000 0.288 471 Y C 2.287 177.961 175.900 -0.376 0.000 1.146 471 Y CA 1.059 59.046 58.100 -0.188 0.000 1.164 471 Y CB -0.732 37.586 38.460 -0.237 0.000 0.982 471 Y HN 0.069 nan 8.280 nan 0.000 0.515 472 Y N -1.501 118.706 120.300 -0.155 0.000 2.200 472 Y HA -0.273 4.281 4.550 0.006 0.000 0.290 472 Y C 2.690 178.206 175.900 -0.639 0.000 1.137 472 Y CA 1.290 59.117 58.100 -0.455 0.000 1.163 472 Y CB -0.782 37.335 38.460 -0.571 0.000 0.988 472 Y HN 0.131 nan 8.280 nan 0.000 0.518 473 C N -1.205 118.024 119.300 -0.118 0.000 2.393 473 C HA -0.191 4.273 4.460 0.006 0.000 0.276 473 C C 2.768 177.538 174.990 -0.367 0.000 1.215 473 C CA 1.309 60.319 59.018 -0.014 0.000 1.743 473 C CB -1.160 26.577 27.740 -0.005 0.000 2.044 473 C HN 0.360 nan 8.230 nan 0.000 0.464 474 V N 0.479 120.056 119.914 -0.561 0.000 2.346 474 V HA -0.144 3.980 4.120 0.006 0.000 0.244 474 V C 2.269 177.856 176.094 -0.846 0.000 1.037 474 V CA 1.715 63.518 62.300 -0.829 0.000 1.029 474 V CB -0.608 30.536 31.823 -1.132 0.000 0.663 474 V HN 0.520 nan 8.190 nan 0.000 0.454 475 L N 0.210 120.988 121.223 -0.741 0.000 2.027 475 L HA -0.109 4.234 4.340 0.006 0.000 0.206 475 L C 2.743 179.239 176.870 -0.624 0.000 1.074 475 L CA 1.679 56.058 54.840 -0.768 0.000 0.745 475 L CB -0.865 40.526 42.059 -1.114 0.000 0.898 475 L HN 0.349 nan 8.230 nan 0.000 0.433 476 A N 0.385 122.865 122.820 -0.567 0.000 1.930 476 A HA -0.077 4.246 4.320 0.006 0.000 0.217 476 A C 2.407 179.724 177.584 -0.444 0.000 1.175 476 A CA 1.526 53.347 52.037 -0.359 0.000 0.627 476 A CB -1.228 17.547 19.000 -0.375 0.000 0.815 476 A HN 0.438 nan 8.150 nan 0.000 0.443 477 G N 0.012 108.353 108.800 -0.764 0.000 2.440 477 G HA2 -0.204 3.759 3.960 0.006 0.000 0.218 477 G HA3 -0.204 3.759 3.960 0.006 0.000 0.218 477 G C 1.456 175.545 174.900 -1.350 0.000 1.154 477 G CA 1.121 45.383 45.100 -1.396 0.000 0.767 477 G HN 0.451 nan 8.290 nan 0.000 0.552 478 L N 0.083 120.684 121.223 -1.036 0.000 2.465 478 L HA 0.221 4.565 4.340 0.006 0.000 0.224 478 L C 2.172 178.904 176.870 -0.230 0.000 1.145 478 L CA 0.666 55.226 54.840 -0.467 0.000 0.834 478 L CB 0.053 41.927 42.059 -0.308 0.000 0.944 478 L HN 0.461 nan 8.230 nan 0.000 0.451 479 G N 0.092 108.748 108.800 -0.241 0.000 2.184 479 G HA2 -0.234 3.729 3.960 0.006 0.000 0.206 479 G HA3 -0.234 3.729 3.960 0.006 0.000 0.206 479 G C -0.173 174.686 174.900 -0.068 0.000 0.995 479 G CA -0.264 44.782 45.100 -0.089 0.000 0.651 479 G HN 0.113 nan 8.290 nan 0.000 0.511 480 L N 2.280 123.408 121.223 -0.158 0.000 2.281 480 L HA 0.725 5.068 4.340 0.006 0.000 0.285 480 L C 0.510 177.334 176.870 -0.077 0.000 1.074 480 L CA -0.544 54.199 54.840 -0.162 0.000 0.817 480 L CB 1.385 43.191 42.059 -0.423 0.000 1.168 480 L HN 0.703 nan 8.230 nan 0.000 0.434 481 V N 2.913 122.773 119.914 -0.090 0.000 3.102 481 V HA 0.773 4.897 4.120 0.006 0.000 0.312 481 V C -2.576 173.140 176.094 -0.629 0.000 1.135 481 V CA -2.389 59.692 62.300 -0.365 0.000 1.022 481 V CB 1.300 32.953 31.823 -0.284 0.000 1.056 481 V HN 0.623 nan 8.190 nan 0.000 0.436 482 P HA 0.190 nan 4.420 nan 0.000 0.270 482 P C -0.099 177.000 177.300 -0.335 0.000 1.227 482 P CA 0.104 62.683 63.100 -0.868 0.000 0.788 482 P CB 0.412 31.520 31.700 -0.987 0.000 0.926 483 D N -0.347 119.949 120.400 -0.173 0.000 2.219 483 D HA 0.066 4.710 4.640 0.006 0.000 0.205 483 D C 0.690 177.013 176.300 0.038 0.000 0.970 483 D CA 1.336 55.327 54.000 -0.016 0.000 0.851 483 D CB 0.063 40.844 40.800 -0.033 0.000 0.943 483 D HN 0.418 nan 8.370 nan 0.000 0.488 484 A N -0.630 122.145 122.820 -0.076 0.000 2.586 484 A HA 0.555 4.879 4.320 0.006 0.000 0.290 484 A C -2.788 174.653 177.584 -0.238 0.000 1.086 484 A CA -1.156 50.642 52.037 -0.398 0.000 0.665 484 A CB 0.759 19.562 19.000 -0.328 0.000 1.279 484 A HN -0.224 nan 8.150 nan 0.000 0.423 485 P HA 0.205 nan 4.420 nan 0.000 0.271 485 P C 0.045 177.257 177.300 -0.146 0.000 1.233 485 P CA -0.023 62.941 63.100 -0.228 0.000 0.789 485 P CB 0.547 32.034 31.700 -0.355 0.000 0.951 486 S N 2.183 117.829 115.700 -0.090 0.000 2.546 486 S HA 0.060 4.534 4.470 0.006 0.000 0.290 486 S C -1.393 173.175 174.600 -0.054 0.000 1.262 486 S CA -0.803 57.360 58.200 -0.060 0.000 1.083 486 S CB -0.640 62.572 63.200 0.020 0.000 0.859 486 S HN 0.224 nan 8.310 nan 0.000 0.495 487 P HA -0.141 nan 4.420 nan 0.000 0.217 487 P C 1.497 178.833 177.300 0.060 0.000 1.148 487 P CA 1.081 64.177 63.100 -0.007 0.000 0.834 487 P CB 0.108 31.820 31.700 0.020 0.000 0.783 488 R N -0.664 119.878 120.500 0.070 0.000 2.105 488 R HA -0.098 4.245 4.340 0.006 0.000 0.239 488 R C 2.216 178.559 176.300 0.073 0.000 1.135 488 R CA 1.199 57.365 56.100 0.111 0.000 0.967 488 R CB -1.026 29.305 30.300 0.052 0.000 0.861 488 R HN 0.288 nan 8.270 nan 0.000 0.442 489 L N -0.086 121.127 121.223 -0.016 0.000 2.127 489 L HA -0.153 4.191 4.340 0.006 0.000 0.211 489 L C 2.494 179.337 176.870 -0.046 0.000 1.089 489 L CA 1.134 55.947 54.840 -0.045 0.000 0.757 489 L CB -0.544 41.452 42.059 -0.105 0.000 0.899 489 L HN 0.206 nan 8.230 nan 0.000 0.434 490 A N -1.363 121.384 122.820 -0.122 0.000 2.172 490 A HA -0.158 4.166 4.320 0.006 0.000 0.216 490 A C 1.745 179.144 177.584 -0.308 0.000 1.154 490 A CA 1.034 52.935 52.037 -0.227 0.000 0.701 490 A CB -0.566 18.242 19.000 -0.319 0.000 0.789 490 A HN 0.460 nan 8.150 nan 0.000 0.465 491 H N -1.722 117.345 119.070 -0.005 0.000 2.586 491 H HA 0.316 4.875 4.556 0.005 0.000 0.273 491 H C -0.066 175.268 175.328 0.010 0.000 0.997 491 H CA 0.236 56.284 56.048 -0.000 0.000 1.177 491 H CB 0.216 29.974 29.762 -0.006 0.000 1.471 491 H HN 0.473 nan 8.280 nan 0.000 0.538 492 M N 1.873 121.530 119.600 0.095 0.000 3.062 492 M HA 0.182 4.665 4.480 0.006 0.000 0.270 492 M C -1.838 174.519 176.300 0.094 0.000 1.270 492 M CA -1.474 53.882 55.300 0.094 0.000 0.702 492 M CB 1.686 34.349 32.600 0.105 0.000 1.398 492 M HN -0.128 nan 8.290 nan 0.000 0.490 493 P HA -0.239 nan 4.420 nan 0.000 0.216 493 P C 1.235 178.583 177.300 0.081 0.000 1.150 493 P CA 1.530 64.668 63.100 0.063 0.000 0.843 493 P CB 0.233 31.956 31.700 0.038 0.000 0.787 494 Q N -0.040 119.804 119.800 0.073 0.000 2.084 494 Q HA -0.121 4.222 4.340 0.006 0.000 0.202 494 Q C 2.229 178.294 176.000 0.109 0.000 0.978 494 Q CA 1.820 57.666 55.803 0.071 0.000 0.844 494 Q CB -0.556 28.209 28.738 0.046 0.000 0.898 494 Q HN 0.138 nan 8.270 nan 0.000 0.426 495 A N 0.274 123.175 122.820 0.135 0.000 1.873 495 A HA -0.172 4.152 4.320 0.006 0.000 0.215 495 A C 2.256 180.050 177.584 0.350 0.000 1.186 495 A CA 1.944 54.111 52.037 0.216 0.000 0.616 495 A CB -1.169 17.972 19.000 0.236 0.000 0.823 495 A HN 0.644 nan 8.150 nan 0.000 0.442 496 T N -0.641 114.111 114.554 0.330 0.000 3.007 496 T HA -0.101 4.252 4.350 0.006 0.000 0.270 496 T C 1.473 176.287 174.700 0.190 0.000 1.107 496 T CA 1.508 63.805 62.100 0.328 0.000 1.118 496 T CB -0.295 68.717 68.868 0.240 0.000 0.889 496 T HN 0.793 nan 8.240 nan 0.000 0.506 497 E N 2.535 122.818 120.200 0.139 0.000 2.060 497 E HA -0.051 4.303 4.350 0.006 0.000 0.189 497 E C 2.202 178.844 176.600 0.069 0.000 0.974 497 E CA 1.052 57.505 56.400 0.088 0.000 0.808 497 E CB -0.671 29.069 29.700 0.067 0.000 0.768 497 E HN 0.564 nan 8.360 nan 0.000 0.453 498 S N 0.536 116.292 115.700 0.092 0.000 2.555 498 S HA -0.010 4.463 4.470 0.006 0.000 0.230 498 S C 1.971 176.504 174.600 -0.111 0.000 0.978 498 S CA 0.498 58.734 58.200 0.060 0.000 0.934 498 S CB 0.088 63.377 63.200 0.149 0.000 0.766 498 S HN 0.181 nan 8.310 nan 0.000 0.533 499 V N 1.981 121.774 119.914 -0.202 0.000 2.809 499 V HA -0.115 4.009 4.120 0.006 0.000 0.256 499 V C 1.819 177.762 176.094 -0.252 0.000 1.080 499 V CA 1.906 63.839 62.300 -0.611 0.000 1.102 499 V CB -0.764 30.704 31.823 -0.591 0.000 0.705 499 V HN 0.401 nan 8.190 nan 0.000 0.475 500 D N 0.040 120.439 120.400 -0.002 0.000 2.221 500 D HA -0.224 4.420 4.640 0.006 0.000 0.204 500 D C 2.203 178.523 176.300 0.032 0.000 0.982 500 D CA 1.473 55.544 54.000 0.117 0.000 0.857 500 D CB -0.059 40.789 40.800 0.080 0.000 0.934 500 D HN 0.797 nan 8.370 nan 0.000 0.475 501 E N 0.183 120.344 120.200 -0.065 0.000 2.106 501 E HA -0.153 4.200 4.350 0.006 0.000 0.192 501 E C 1.886 178.412 176.600 -0.123 0.000 0.984 501 E CA 0.998 57.355 56.400 -0.072 0.000 0.806 501 E CB -0.160 29.496 29.700 -0.074 0.000 0.750 501 E HN 0.152 nan 8.360 nan 0.000 0.458 502 V N 0.540 120.294 119.914 -0.267 0.000 2.307 502 V HA -0.202 3.921 4.120 0.006 0.000 0.245 502 V C 2.167 178.092 176.094 -0.282 0.000 1.045 502 V CA 1.718 63.802 62.300 -0.360 0.000 1.024 502 V CB -0.719 30.712 31.823 -0.653 0.000 0.651 502 V HN 0.191 nan 8.190 nan 0.000 0.449 503 F N 1.484 121.353 119.950 -0.135 0.000 2.234 503 F HA 0.013 4.544 4.527 0.007 0.000 0.299 503 F C 2.350 178.121 175.800 -0.048 0.000 1.087 503 F CA 1.305 59.264 58.000 -0.069 0.000 1.340 503 F CB -1.214 37.771 39.000 -0.026 0.000 1.031 503 F HN 0.190 nan 8.300 nan 0.000 0.500 504 G N -0.632 108.239 108.800 0.119 0.000 2.402 504 G HA2 -0.132 3.831 3.960 0.006 0.000 0.216 504 G HA3 -0.132 3.831 3.960 0.006 0.000 0.216 504 G C 1.933 176.848 174.900 0.024 0.000 1.162 504 G CA 0.722 45.860 45.100 0.063 0.000 0.777 504 G HN 0.425 nan 8.290 nan 0.000 0.539 505 A N 0.279 123.090 122.820 -0.015 0.000 1.908 505 A HA 0.019 4.342 4.320 0.006 0.000 0.218 505 A C 2.599 180.168 177.584 -0.025 0.000 1.181 505 A CA 1.896 53.914 52.037 -0.033 0.000 0.627 505 A CB -0.681 18.278 19.000 -0.068 0.000 0.818 505 A HN 0.257 nan 8.150 nan 0.000 0.445 506 V N 0.334 120.234 119.914 -0.023 0.000 2.343 506 V HA -0.239 3.884 4.120 0.006 0.000 0.247 506 V C 2.547 178.652 176.094 0.018 0.000 1.051 506 V CA 2.139 64.430 62.300 -0.015 0.000 1.036 506 V CB -0.567 31.255 31.823 -0.002 0.000 0.654 506 V HN 0.436 nan 8.190 nan 0.000 0.451 507 K N -0.011 120.417 120.400 0.046 0.000 2.103 507 K HA -0.185 4.139 4.320 0.006 0.000 0.207 507 K C 1.857 178.475 176.600 0.031 0.000 1.048 507 K CA 1.592 57.910 56.287 0.050 0.000 0.930 507 K CB -0.613 31.923 32.500 0.060 0.000 0.716 507 K HN 0.509 nan 8.250 nan 0.000 0.444 508 D N 0.267 120.678 120.400 0.018 0.000 2.144 508 D HA -0.105 4.539 4.640 0.006 0.000 0.200 508 D C 2.071 178.374 176.300 0.005 0.000 0.978 508 D CA 0.851 54.857 54.000 0.010 0.000 0.833 508 D CB -0.086 40.716 40.800 0.003 0.000 0.961 508 D HN 0.168 nan 8.370 nan 0.000 0.470 509 R N 0.408 120.906 120.500 -0.002 0.000 2.075 509 R HA -0.070 4.273 4.340 0.006 0.000 0.232 509 R C 2.415 178.712 176.300 -0.004 0.000 1.126 509 R CA 0.985 57.079 56.100 -0.009 0.000 0.963 509 R CB -0.074 30.213 30.300 -0.022 0.000 0.858 509 R HN 0.311 nan 8.270 nan 0.000 0.435 510 Q N -0.235 119.569 119.800 0.006 0.000 2.084 510 Q HA -0.141 4.202 4.340 0.006 0.000 0.202 510 Q C 2.195 178.207 176.000 0.020 0.000 0.978 510 Q CA 1.200 57.012 55.803 0.014 0.000 0.844 510 Q CB -0.077 28.683 28.738 0.037 0.000 0.898 510 Q HN 0.254 nan 8.270 nan 0.000 0.426 511 R N 0.752 121.266 120.500 0.023 0.000 2.070 511 R HA -0.128 4.216 4.340 0.006 0.000 0.232 511 R C 2.222 178.531 176.300 0.016 0.000 1.138 511 R CA 1.444 57.558 56.100 0.024 0.000 0.936 511 R CB -0.519 29.795 30.300 0.023 0.000 0.839 511 R HN 0.356 nan 8.270 nan 0.000 0.429 512 N N 1.261 119.967 118.700 0.009 0.000 2.104 512 N HA -0.179 4.565 4.740 0.006 0.000 0.190 512 N C 1.909 177.420 175.510 0.002 0.000 1.024 512 N CA 1.409 54.462 53.050 0.005 0.000 0.853 512 N CB -0.102 38.385 38.487 0.001 0.000 1.008 512 N HN 0.190 nan 8.380 nan 0.000 0.424 513 L N 0.369 121.590 121.223 -0.003 0.000 2.056 513 L HA -0.139 4.205 4.340 0.006 0.000 0.207 513 L C 2.569 179.438 176.870 -0.002 0.000 1.078 513 L CA 0.513 55.347 54.840 -0.011 0.000 0.749 513 L CB -0.461 41.584 42.059 -0.022 0.000 0.901 513 L HN 0.192 nan 8.230 nan 0.000 0.433 514 L N 0.057 121.285 121.223 0.008 0.000 2.083 514 L HA -0.211 4.133 4.340 0.006 0.000 0.209 514 L C 2.282 179.165 176.870 0.022 0.000 1.083 514 L CA 1.823 56.675 54.840 0.019 0.000 0.752 514 L CB -0.399 41.679 42.059 0.031 0.000 0.899 514 L HN 0.194 nan 8.230 nan 0.000 0.433 515 E N -1.544 118.667 120.200 0.019 0.000 2.112 515 E HA -0.128 4.226 4.350 0.006 0.000 0.190 515 E C 1.881 178.490 176.600 0.016 0.000 0.979 515 E CA 1.389 57.801 56.400 0.019 0.000 0.814 515 E CB 0.067 29.777 29.700 0.017 0.000 0.762 515 E HN 0.710 nan 8.360 nan 0.000 0.460 516 T N -1.830 112.731 114.554 0.011 0.000 3.037 516 T HA 0.182 4.536 4.350 0.006 0.000 0.252 516 T C 0.824 175.528 174.700 0.007 0.000 1.073 516 T CA -0.256 61.849 62.100 0.009 0.000 1.091 516 T CB 0.029 68.900 68.868 0.004 0.000 0.935 516 T HN -0.104 nan 8.240 nan 0.000 0.488 517 L N 3.674 124.898 121.223 0.001 0.000 2.416 517 L HA 0.369 4.713 4.340 0.006 0.000 0.272 517 L C -1.915 174.964 176.870 0.016 0.000 1.161 517 L CA -2.140 52.696 54.840 -0.005 0.000 0.845 517 L CB 0.538 42.581 42.059 -0.027 0.000 1.119 517 L HN 0.147 nan 8.230 nan 0.000 0.464 518 P HA 0.128 nan 4.420 nan 0.000 0.279 518 P C -0.704 176.635 177.300 0.065 0.000 1.252 518 P CA -0.587 62.548 63.100 0.058 0.000 0.811 518 P CB 1.283 33.037 31.700 0.090 0.000 1.035 519 S N 1.330 117.082 115.700 0.087 0.000 2.584 519 S HA -0.003 4.471 4.470 0.006 0.000 0.270 519 S C 1.328 176.011 174.600 0.138 0.000 1.346 519 S CA -0.543 57.720 58.200 0.106 0.000 1.018 519 S CB -0.025 63.255 63.200 0.134 0.000 0.899 519 S HN 0.404 nan 8.310 nan 0.000 0.542 520 L N 1.207 122.513 121.223 0.138 0.000 2.012 520 L HA -0.069 4.275 4.340 0.006 0.000 0.210 520 L C 2.417 179.437 176.870 0.251 0.000 1.073 520 L CA 2.564 57.512 54.840 0.180 0.000 0.748 520 L CB -1.637 40.507 42.059 0.141 0.000 0.891 520 L HN 1.054 nan 8.230 nan 0.000 0.431 521 H N -0.195 118.948 119.070 0.122 0.000 2.319 521 H HA -0.224 4.335 4.556 0.006 0.000 0.297 521 H C 2.211 177.605 175.328 0.110 0.000 1.097 521 H CA 2.355 58.469 56.048 0.109 0.000 1.285 521 H CB -0.150 29.665 29.762 0.087 0.000 1.368 521 H HN 0.583 nan 8.280 nan 0.000 0.495 522 E N -1.065 119.144 120.200 0.015 0.000 2.033 522 E HA -0.224 4.129 4.350 0.006 0.000 0.199 522 E C 2.062 178.652 176.600 -0.017 0.000 1.011 522 E CA 1.380 57.747 56.400 -0.056 0.000 0.815 522 E CB -0.376 29.353 29.700 0.049 0.000 0.755 522 E HN 0.490 nan 8.360 nan 0.000 0.451 523 F N 1.041 120.977 119.950 -0.022 0.000 2.134 523 F HA -0.180 4.350 4.527 0.005 0.000 0.299 523 F C 1.982 177.793 175.800 0.019 0.000 1.097 523 F CA 1.255 59.254 58.000 -0.001 0.000 1.264 523 F CB -0.121 38.890 39.000 0.018 0.000 1.001 523 F HN 0.011 nan 8.300 nan 0.000 0.479 524 L N -0.214 121.100 121.223 0.151 0.000 2.046 524 L HA -0.239 4.105 4.340 0.006 0.000 0.208 524 L C 2.702 179.563 176.870 -0.015 0.000 1.077 524 L CA 1.336 56.250 54.840 0.123 0.000 0.747 524 L CB -0.639 41.547 42.059 0.212 0.000 0.896 524 L HN 0.071 nan 8.230 nan 0.000 0.432 525 R N -0.346 120.076 120.500 -0.130 0.000 2.094 525 R HA -0.255 4.088 4.340 0.006 0.000 0.239 525 R C 2.254 178.466 176.300 -0.146 0.000 1.137 525 R CA 2.079 58.089 56.100 -0.149 0.000 0.943 525 R CB -0.536 29.619 30.300 -0.241 0.000 0.850 525 R HN 0.475 nan 8.270 nan 0.000 0.433 526 Q N 0.723 120.386 119.800 -0.229 0.000 1.948 526 Q HA -0.243 4.101 4.340 0.006 0.000 0.205 526 Q C 2.251 178.057 176.000 -0.323 0.000 0.992 526 Q CA 1.574 57.214 55.803 -0.273 0.000 0.849 526 Q CB -0.149 28.381 28.738 -0.346 0.000 0.918 526 Q HN 0.282 nan 8.270 nan 0.000 0.421 527 Q N -0.989 118.488 119.800 -0.539 0.000 2.234 527 Q HA -0.197 4.146 4.340 0.006 0.000 0.206 527 Q C 1.460 177.225 176.000 -0.392 0.000 0.980 527 Q CA 1.335 56.834 55.803 -0.507 0.000 0.869 527 Q CB 0.126 28.469 28.738 -0.658 0.000 0.912 527 Q HN 0.535 nan 8.270 nan 0.000 0.436 528 H N -1.607 117.347 119.070 -0.193 0.000 2.923 528 H HA 0.171 4.731 4.556 0.007 0.000 0.290 528 H C 0.848 176.107 175.328 -0.115 0.000 1.365 528 H CA 0.726 56.694 56.048 -0.134 0.000 1.982 528 H CB -0.858 28.841 29.762 -0.105 0.000 1.551 528 H HN 0.254 nan 8.280 nan 0.000 0.591 529 G N 0.000 108.842 108.800 0.070 0.000 5.446 529 G HA2 0.000 3.963 3.960 0.006 0.000 0.244 529 G HA3 0.000 3.963 3.960 0.006 0.000 0.244 529 G CA 0.000 45.102 45.100 0.002 0.000 0.502 529 G HN 0.000 nan 8.290 nan 0.000 0.925