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 3ln1_1_C DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.631 177.584 0.078 0.000 1.274 18 A CA 0.000 52.081 52.037 0.074 0.000 0.836 18 A CB 0.000 19.056 19.000 0.094 0.000 0.831 19 N N 2.545 121.280 118.700 0.058 0.000 2.386 19 N HA 0.071 4.811 4.740 0.001 0.000 0.273 19 N C -1.553 173.975 175.510 0.030 0.000 1.331 19 N CA -0.466 52.609 53.050 0.042 0.000 0.891 19 N CB 1.080 39.580 38.487 0.021 0.000 1.139 19 N HN 0.260 nan 8.380 nan 0.000 0.487 20 P HA -0.078 nan 4.420 nan 0.000 0.223 20 P C 0.646 177.898 177.300 -0.079 0.000 1.144 20 P CA 0.859 63.998 63.100 0.065 0.000 0.783 20 P CB 0.132 31.945 31.700 0.189 0.000 0.771 21 c N -1.731 116.813 118.600 -0.093 0.000 2.697 21 c HA 0.132 4.702 4.570 0.001 0.000 0.267 21 c C 2.670 176.672 174.090 -0.147 0.000 1.278 21 c CA -0.248 55.971 56.329 -0.183 0.000 1.708 21 c CB -2.182 40.263 42.510 -0.108 0.000 1.860 21 c HN 0.338 nan 8.230 nan 0.000 0.589 22 c N 1.176 119.719 118.600 -0.095 0.000 2.419 22 c HA -0.091 4.480 4.570 0.001 0.000 0.281 22 c C 2.962 177.002 174.090 -0.084 0.000 1.336 22 c CA 1.969 58.258 56.329 -0.067 0.000 1.770 22 c CB -1.256 41.237 42.510 -0.029 0.000 1.929 22 c HN 0.809 nan 8.230 nan 0.000 0.509 23 S N 0.303 115.935 115.700 -0.114 0.000 2.527 23 S HA -0.032 4.439 4.470 0.001 0.000 0.222 23 S C 0.511 175.030 174.600 -0.135 0.000 0.985 23 S CA 0.590 58.725 58.200 -0.108 0.000 0.921 23 S CB -0.505 62.633 63.200 -0.103 0.000 0.772 23 S HN 0.682 nan 8.310 nan 0.000 0.529 24 N N 1.165 119.762 118.700 -0.172 0.000 2.780 24 N HA -0.082 4.658 4.740 0.001 0.000 0.247 24 N C -2.236 173.159 175.510 -0.192 0.000 1.076 24 N CA 0.930 53.874 53.050 -0.177 0.000 0.688 24 N CB -1.784 36.614 38.487 -0.149 0.000 0.957 24 N HN 0.410 nan 8.380 nan 0.000 0.551 25 P HA -0.071 nan 4.420 nan 0.000 0.215 25 P C 0.423 177.638 177.300 -0.142 0.000 1.157 25 P CA 0.991 63.934 63.100 -0.263 0.000 0.868 25 P CB 0.145 31.457 31.700 -0.647 0.000 0.788 26 c N 2.004 120.523 118.600 -0.135 0.000 2.648 26 c HA 0.200 4.771 4.570 0.001 0.000 0.415 26 c C 0.810 174.839 174.090 -0.103 0.000 1.366 26 c CA -0.573 55.717 56.329 -0.065 0.000 1.756 26 c CB -1.076 41.417 42.510 -0.029 0.000 2.549 26 c HN 0.271 nan 8.230 nan 0.000 0.597 27 Q N 1.650 121.377 119.800 -0.122 0.000 2.286 27 Q HA 0.341 4.682 4.340 0.001 0.000 0.250 27 Q C 0.287 176.140 176.000 -0.246 0.000 1.021 27 Q CA -0.618 55.073 55.803 -0.186 0.000 0.930 27 Q CB 0.405 29.009 28.738 -0.223 0.000 1.266 27 Q HN 0.745 nan 8.270 nan 0.000 0.491 28 N N 1.033 119.546 118.700 -0.312 0.000 2.721 28 N HA -0.229 4.511 4.740 0.001 0.000 0.249 28 N C -0.483 174.930 175.510 -0.161 0.000 1.072 28 N CA 1.005 53.842 53.050 -0.355 0.000 0.710 28 N CB -0.395 37.581 38.487 -0.851 0.000 0.993 28 N HN 0.657 nan 8.380 nan 0.000 0.547 29 R N -4.406 116.025 120.500 -0.115 0.000 3.840 29 R HA -0.135 4.206 4.340 0.001 0.000 0.464 29 R C 0.938 177.226 176.300 -0.020 0.000 0.986 29 R CA 1.224 57.291 56.100 -0.056 0.000 1.305 29 R CB -2.290 27.993 30.300 -0.027 0.000 1.950 29 R HN 0.463 nan 8.270 nan 0.000 0.526 30 G N 1.541 110.323 108.800 -0.031 0.000 2.474 30 G HA2 0.151 4.111 3.960 0.001 0.000 0.233 30 G HA3 0.151 4.111 3.960 0.001 0.000 0.233 30 G C -0.040 174.870 174.900 0.018 0.000 1.278 30 G CA -0.107 44.999 45.100 0.009 0.000 0.861 30 G HN 0.229 nan 8.290 nan 0.000 0.567 31 E N 0.065 120.295 120.200 0.050 0.000 2.197 31 E HA 0.265 4.616 4.350 0.001 0.000 0.281 31 E C -0.549 176.089 176.600 0.063 0.000 0.995 31 E CA -0.590 55.850 56.400 0.067 0.000 0.808 31 E CB 1.812 31.576 29.700 0.108 0.000 1.093 31 E HN 0.393 nan 8.360 nan 0.000 0.394 32 c N 5.013 123.635 118.600 0.036 0.000 2.347 32 c HA 0.547 5.118 4.570 0.001 0.000 0.353 32 c C -0.232 173.896 174.090 0.063 0.000 1.273 32 c CA -0.355 55.995 56.329 0.035 0.000 1.861 32 c CB -0.665 41.806 42.510 -0.066 0.000 2.420 32 c HN 0.785 nan 8.230 nan 0.000 0.542 33 M N 5.854 125.512 119.600 0.097 0.000 2.393 33 M HA 0.432 4.913 4.480 0.001 0.000 0.299 33 M C -0.083 176.270 176.300 0.089 0.000 1.103 33 M CA -0.082 55.263 55.300 0.074 0.000 0.910 33 M CB 2.034 34.670 32.600 0.061 0.000 1.659 33 M HN 0.758 nan 8.290 nan 0.000 0.445 34 S N 2.384 118.111 115.700 0.045 0.000 2.499 34 S HA 0.400 4.871 4.470 0.001 0.000 0.275 34 S C 0.107 174.705 174.600 -0.004 0.000 1.257 34 S CA -0.214 58.009 58.200 0.039 0.000 1.050 34 S CB 0.354 63.550 63.200 -0.007 0.000 0.937 34 S HN 0.733 nan 8.310 nan 0.000 0.490 35 T N -0.146 114.411 114.554 0.005 0.000 3.390 35 T HA 0.667 5.017 4.350 0.001 0.000 0.315 35 T C 0.544 175.216 174.700 -0.046 0.000 1.799 35 T CA -0.173 61.909 62.100 -0.030 0.000 1.553 35 T CB -0.551 68.304 68.868 -0.023 0.000 1.002 35 T HN 1.854 nan 8.240 nan 0.000 0.715 36 G N 0.981 109.719 108.800 -0.103 0.000 2.570 36 G HA2 -0.034 3.927 3.960 0.001 0.000 0.686 36 G HA3 -0.034 3.927 3.960 0.001 0.000 0.686 36 G C -0.160 174.683 174.900 -0.095 0.000 1.257 36 G CA -0.771 44.259 45.100 -0.118 0.000 0.846 36 G HN 0.230 nan 8.290 nan 0.000 0.627 37 F N -0.066 119.896 119.950 0.020 0.000 2.250 37 F HA 0.048 4.575 4.527 0.001 0.000 0.301 37 F C 2.170 177.990 175.800 0.035 0.000 1.077 37 F CA 1.989 60.004 58.000 0.024 0.000 1.348 37 F CB 0.212 39.223 39.000 0.018 0.000 1.040 37 F HN 0.405 nan 8.300 nan 0.000 0.509 38 D N -1.922 118.601 120.400 0.205 0.000 2.514 38 D HA 0.112 4.752 4.640 0.001 0.000 0.225 38 D C 0.257 176.632 176.300 0.124 0.000 1.159 38 D CA 0.243 54.334 54.000 0.152 0.000 0.823 38 D CB 0.307 41.183 40.800 0.128 0.000 1.097 38 D HN 0.232 nan 8.370 nan 0.000 0.519 39 Q N -0.148 119.709 119.800 0.096 0.000 2.306 39 Q HA 0.576 4.917 4.340 0.001 0.000 0.269 39 Q C -0.899 175.171 176.000 0.116 0.000 1.053 39 Q CA -0.949 54.888 55.803 0.056 0.000 0.879 39 Q CB 2.107 30.830 28.738 -0.026 0.000 1.344 39 Q HN 0.137 nan 8.270 nan 0.000 0.464 40 Y N -2.042 118.261 120.300 0.005 0.000 2.644 40 Y HA 0.830 5.380 4.550 0.001 0.000 0.338 40 Y C -1.463 174.438 175.900 0.003 0.000 1.119 40 Y CA -1.359 56.741 58.100 -0.001 0.000 1.060 40 Y CB 1.562 40.022 38.460 0.001 0.000 1.294 40 Y HN 0.573 nan 8.280 nan 0.000 0.472 41 K N 0.902 121.423 120.400 0.201 0.000 2.502 41 K HA 0.754 5.075 4.320 0.001 0.000 0.257 41 K C -2.214 174.516 176.600 0.216 0.000 0.938 41 K CA -0.366 55.980 56.287 0.098 0.000 0.819 41 K CB 1.969 34.480 32.500 0.018 0.000 1.333 41 K HN 0.948 nan 8.250 nan 0.000 0.434 42 c N 2.500 121.208 118.600 0.181 0.000 2.319 42 c HA 0.430 5.000 4.570 0.001 0.000 0.335 42 c C -0.797 173.353 174.090 0.099 0.000 1.274 42 c CA -0.668 55.750 56.329 0.148 0.000 1.806 42 c CB 0.618 43.219 42.510 0.152 0.000 2.329 42 c HN 0.797 nan 8.230 nan 0.000 0.524 43 D N 1.673 122.124 120.400 0.085 0.000 2.347 43 D HA 0.239 4.879 4.640 0.001 0.000 0.235 43 D C 0.234 176.580 176.300 0.075 0.000 1.149 43 D CA -0.264 53.780 54.000 0.073 0.000 0.850 43 D CB 0.916 41.754 40.800 0.064 0.000 1.061 43 D HN 0.652 nan 8.370 nan 0.000 0.487 44 c N 2.672 121.325 118.600 0.088 0.000 2.855 44 c HA 0.150 4.720 4.570 0.001 0.000 0.279 44 c C 0.730 174.882 174.090 0.104 0.000 1.270 44 c CA -0.336 56.057 56.329 0.107 0.000 1.702 44 c CB -1.349 41.252 42.510 0.152 0.000 1.949 44 c HN 0.582 nan 8.230 nan 0.000 0.618 45 T N 2.037 116.637 114.554 0.077 0.000 2.656 45 T HA -0.059 4.292 4.350 0.001 0.000 0.258 45 T C 0.991 175.730 174.700 0.066 0.000 1.020 45 T CA 0.885 63.023 62.100 0.063 0.000 1.191 45 T CB -0.173 68.721 68.868 0.044 0.000 1.004 45 T HN 0.658 nan 8.240 nan 0.000 0.498 46 R N 0.025 120.566 120.500 0.068 0.000 3.989 46 R HA -0.243 4.098 4.340 0.001 0.000 0.377 46 R C 1.793 178.144 176.300 0.086 0.000 1.158 46 R CA 1.340 57.478 56.100 0.062 0.000 1.035 46 R CB -2.289 28.037 30.300 0.042 0.000 1.557 46 R HN 0.934 nan 8.270 nan 0.000 0.551 47 T N -4.527 110.102 114.554 0.124 0.000 2.985 47 T HA 0.173 4.523 4.350 0.001 0.000 0.266 47 T C 1.532 176.401 174.700 0.281 0.000 1.076 47 T CA 1.192 63.400 62.100 0.180 0.000 1.135 47 T CB 0.549 69.528 68.868 0.184 0.000 0.890 47 T HN 0.697 nan 8.240 nan 0.000 0.480 48 G N 0.528 109.453 108.800 0.208 0.000 2.176 48 G HA2 -0.113 3.848 3.960 0.001 0.000 0.232 48 G HA3 -0.113 3.848 3.960 0.001 0.000 0.232 48 G C -0.150 174.696 174.900 -0.090 0.000 0.986 48 G CA -0.112 45.028 45.100 0.065 0.000 0.643 48 G HN 0.541 nan 8.290 nan 0.000 0.522 49 F N -0.312 119.670 119.950 0.054 0.000 2.620 49 F HA 0.821 5.348 4.527 0.001 0.000 0.320 49 F C 0.331 176.200 175.800 0.115 0.000 1.069 49 F CA -1.266 56.740 58.000 0.010 0.000 0.953 49 F CB 1.323 40.292 39.000 -0.052 0.000 1.322 49 F HN 0.239 nan 8.300 nan 0.000 0.479 50 Y N -1.113 119.311 120.300 0.206 0.000 2.857 50 Y HA 0.952 5.502 4.550 0.001 0.000 0.318 50 Y C 0.093 176.066 175.900 0.120 0.000 1.313 50 Y CA -1.789 56.388 58.100 0.129 0.000 1.117 50 Y CB 1.037 39.541 38.460 0.074 0.000 1.344 50 Y HN 1.030 nan 8.280 nan 0.000 0.525 51 G N 0.050 109.024 108.800 0.290 0.000 2.612 51 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 51 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 51 G C 0.123 175.091 174.900 0.113 0.000 1.274 51 G CA -0.156 45.038 45.100 0.157 0.000 0.849 51 G HN 1.087 nan 8.290 nan 0.000 0.595 52 E N -0.371 119.876 120.200 0.080 0.000 2.219 52 E HA -0.166 4.184 4.350 0.001 0.000 0.198 52 E C 1.303 177.971 176.600 0.112 0.000 0.998 52 E CA 1.549 57.984 56.400 0.059 0.000 0.818 52 E CB -0.057 29.655 29.700 0.020 0.000 0.741 52 E HN 0.397 nan 8.360 nan 0.000 0.477 53 N N -1.021 117.739 118.700 0.101 0.000 2.194 53 N HA 0.075 4.816 4.740 0.001 0.000 0.231 53 N C -0.631 174.896 175.510 0.028 0.000 1.247 53 N CA 0.319 53.426 53.050 0.096 0.000 0.884 53 N CB 0.698 39.231 38.487 0.077 0.000 1.146 53 N HN 0.083 nan 8.380 nan 0.000 0.516 54 c N 1.065 119.694 118.600 0.049 0.000 4.167 54 c HA -0.117 4.453 4.570 0.001 0.000 0.302 54 c C 1.734 175.790 174.090 -0.058 0.000 1.384 54 c CA 1.185 57.539 56.329 0.041 0.000 2.041 54 c CB -3.082 39.432 42.510 0.006 0.000 1.303 54 c HN 0.574 nan 8.230 nan 0.000 0.718 55 T N -4.946 109.606 114.554 -0.003 0.000 2.985 55 T HA 0.164 4.515 4.350 0.001 0.000 0.254 55 T C 0.324 175.117 174.700 0.155 0.000 1.021 55 T CA 0.529 62.628 62.100 -0.002 0.000 0.957 55 T CB 0.240 69.091 68.868 -0.028 0.000 1.047 55 T HN 0.540 nan 8.240 nan 0.000 0.511 56 T N 5.686 120.247 114.554 0.013 0.000 2.728 56 T HA 0.421 4.771 4.350 0.001 0.000 0.296 56 T C -2.703 171.779 174.700 -0.362 0.000 0.940 56 T CA -1.262 60.698 62.100 -0.234 0.000 1.013 56 T CB 1.295 69.815 68.868 -0.580 0.000 0.912 56 T HN 0.188 nan 8.240 nan 0.000 0.484 57 P HA 0.266 nan 4.420 nan 0.000 0.278 57 P C -0.246 176.854 177.300 -0.333 0.000 1.238 57 P CA -0.513 62.195 63.100 -0.654 0.000 0.794 57 P CB 1.040 32.426 31.700 -0.523 0.000 0.955 58 E N 0.926 120.979 120.200 -0.245 0.000 2.373 58 E HA 0.065 4.415 4.350 0.001 0.000 0.263 58 E C 0.764 177.373 176.600 0.016 0.000 1.073 58 E CA -0.420 56.018 56.400 0.064 0.000 0.894 58 E CB 0.212 29.962 29.700 0.083 0.000 1.008 58 E HN 0.359 nan 8.360 nan 0.000 0.420 59 F N 2.510 122.450 119.950 -0.018 0.000 2.043 59 F HA -0.274 4.254 4.527 0.001 0.000 0.297 59 F C 1.800 177.564 175.800 -0.060 0.000 1.118 59 F CA 1.726 59.705 58.000 -0.035 0.000 1.202 59 F CB -0.366 38.626 39.000 -0.014 0.000 0.965 59 F HN 0.488 nan 8.300 nan 0.000 0.482 60 L N 0.214 121.322 121.223 -0.191 0.000 2.187 60 L HA -0.175 4.165 4.340 0.001 0.000 0.213 60 L C 2.079 178.778 176.870 -0.285 0.000 1.100 60 L CA 2.521 57.180 54.840 -0.301 0.000 0.765 60 L CB -1.408 40.582 42.059 -0.116 0.000 0.904 60 L HN 0.259 nan 8.230 nan 0.000 0.437 61 T N -0.236 114.168 114.554 -0.251 0.000 2.904 61 T HA -0.098 4.253 4.350 0.001 0.000 0.267 61 T C 1.854 176.392 174.700 -0.269 0.000 1.059 61 T CA 1.424 63.352 62.100 -0.286 0.000 1.137 61 T CB -0.146 68.438 68.868 -0.473 0.000 0.879 61 T HN 0.477 nan 8.240 nan 0.000 0.467 62 R N 0.461 120.799 120.500 -0.270 0.000 2.090 62 R HA 0.060 4.401 4.340 0.001 0.000 0.228 62 R C 2.139 178.320 176.300 -0.199 0.000 1.110 62 R CA 0.884 56.864 56.100 -0.200 0.000 0.973 62 R CB -0.629 29.584 30.300 -0.145 0.000 0.869 62 R HN 0.303 nan 8.270 nan 0.000 0.440 63 I N 1.939 122.331 120.570 -0.297 0.000 2.099 63 I HA -0.297 3.873 4.170 0.001 0.000 0.239 63 I C 2.230 178.252 176.117 -0.159 0.000 1.066 63 I CA 1.716 62.868 61.300 -0.246 0.000 1.324 63 I CB -0.334 37.479 38.000 -0.312 0.000 1.037 63 I HN 0.041 nan 8.210 nan 0.000 0.401 64 K N 0.170 120.474 120.400 -0.160 0.000 2.074 64 K HA -0.160 4.160 4.320 0.001 0.000 0.209 64 K C 2.035 178.590 176.600 -0.076 0.000 1.048 64 K CA 1.393 57.613 56.287 -0.111 0.000 0.926 64 K CB -0.440 31.989 32.500 -0.118 0.000 0.713 64 K HN 0.307 nan 8.250 nan 0.000 0.444 65 L N 0.495 121.672 121.223 -0.077 0.000 2.362 65 L HA -0.138 4.202 4.340 0.001 0.000 0.219 65 L C 1.722 178.575 176.870 -0.028 0.000 1.134 65 L CA 0.388 55.209 54.840 -0.032 0.000 0.807 65 L CB -0.107 41.942 42.059 -0.017 0.000 0.927 65 L HN 0.144 nan 8.230 nan 0.000 0.447 66 L N -1.434 119.760 121.223 -0.049 0.000 2.470 66 L HA 0.026 4.367 4.340 0.001 0.000 0.219 66 L C 1.356 178.204 176.870 -0.036 0.000 1.071 66 L CA 0.864 55.681 54.840 -0.038 0.000 0.850 66 L CB 0.015 42.047 42.059 -0.046 0.000 1.040 66 L HN 0.087 nan 8.230 nan 0.000 0.475 67 L N -0.471 120.724 121.223 -0.046 0.000 2.685 67 L HA 0.194 4.535 4.340 0.001 0.000 0.233 67 L C 0.618 177.472 176.870 -0.027 0.000 1.173 67 L CA 0.342 55.157 54.840 -0.041 0.000 0.961 67 L CB -0.802 41.224 42.059 -0.055 0.000 1.217 67 L HN 0.025 nan 8.230 nan 0.000 0.478 68 K N 2.266 122.658 120.400 -0.013 0.000 2.367 68 K HA 0.400 4.721 4.320 0.001 0.000 0.263 68 K C -2.344 174.270 176.600 0.024 0.000 1.000 68 K CA -1.530 54.763 56.287 0.010 0.000 0.891 68 K CB 1.418 33.927 32.500 0.015 0.000 1.117 68 K HN -0.083 nan 8.250 nan 0.000 0.443 69 P HA 0.025 nan 4.420 nan 0.000 0.272 69 P C -0.291 177.048 177.300 0.064 0.000 1.223 69 P CA -0.258 62.868 63.100 0.044 0.000 0.784 69 P CB 0.725 32.456 31.700 0.052 0.000 0.923 70 T N -0.762 113.828 114.554 0.059 0.000 2.856 70 T HA 0.153 4.503 4.350 0.001 0.000 0.306 70 T C -1.753 173.007 174.700 0.099 0.000 1.062 70 T CA -1.197 60.943 62.100 0.067 0.000 1.083 70 T CB -0.056 68.842 68.868 0.050 0.000 0.984 70 T HN 0.175 nan 8.240 nan 0.000 0.542 71 P HA -0.051 nan 4.420 nan 0.000 0.218 71 P C 1.416 178.816 177.300 0.166 0.000 1.148 71 P CA 0.758 63.937 63.100 0.132 0.000 0.822 71 P CB 0.004 31.766 31.700 0.104 0.000 0.784 72 N N -1.401 117.382 118.700 0.138 0.000 2.244 72 N HA -0.071 4.670 4.740 0.001 0.000 0.183 72 N C 1.590 177.232 175.510 0.219 0.000 1.016 72 N CA 1.310 54.463 53.050 0.173 0.000 0.866 72 N CB -0.821 37.736 38.487 0.117 0.000 0.980 72 N HN 0.159 nan 8.380 nan 0.000 0.430 73 T N 0.937 115.588 114.554 0.161 0.000 2.701 73 T HA -0.030 4.320 4.350 0.001 0.000 0.263 73 T C 2.210 177.054 174.700 0.240 0.000 1.040 73 T CA 0.802 62.999 62.100 0.161 0.000 1.147 73 T CB -0.295 68.627 68.868 0.090 0.000 0.865 73 T HN -0.064 nan 8.240 nan 0.000 0.426 74 V N 1.501 121.537 119.914 0.204 0.000 2.287 74 V HA -0.245 3.875 4.120 0.001 0.000 0.248 74 V C 2.384 178.597 176.094 0.199 0.000 1.053 74 V CA 1.885 64.301 62.300 0.194 0.000 1.027 74 V CB -0.781 31.152 31.823 0.184 0.000 0.646 74 V HN 0.649 nan 8.190 nan 0.000 0.447 75 H N -1.260 117.905 119.070 0.158 0.000 2.352 75 H HA -0.267 4.289 4.556 0.001 0.000 0.299 75 H C 2.320 177.771 175.328 0.205 0.000 1.097 75 H CA 2.491 58.635 56.048 0.159 0.000 1.311 75 H CB -0.138 29.746 29.762 0.204 0.000 1.377 75 H HN 0.549 nan 8.280 nan 0.000 0.504 76 Y N 1.235 121.635 120.300 0.166 0.000 2.165 76 Y HA -0.202 4.348 4.550 0.001 0.000 0.286 76 Y C 2.583 178.669 175.900 0.310 0.000 1.155 76 Y CA 1.912 60.130 58.100 0.198 0.000 1.164 76 Y CB -0.416 38.110 38.460 0.109 0.000 0.978 76 Y HN 0.144 nan 8.280 nan 0.000 0.513 77 I N -0.731 120.081 120.570 0.402 0.000 2.394 77 I HA -0.252 3.918 4.170 0.001 0.000 0.251 77 I C 1.685 178.098 176.117 0.494 0.000 1.136 77 I CA 0.479 62.083 61.300 0.508 0.000 1.425 77 I CB -0.313 37.909 38.000 0.370 0.000 1.079 77 I HN 0.245 nan 8.210 nan 0.000 0.425 78 L N 0.500 121.756 121.223 0.055 0.000 2.291 78 L HA -0.069 4.271 4.340 0.001 0.000 0.214 78 L C 2.270 178.899 176.870 -0.401 0.000 1.120 78 L CA 1.886 56.467 54.840 -0.432 0.000 0.799 78 L CB -1.398 39.977 42.059 -1.141 0.000 0.925 78 L HN 0.399 nan 8.230 nan 0.000 0.446 79 T N -5.389 109.011 114.554 -0.257 0.000 3.085 79 T HA 0.233 4.583 4.350 0.001 0.000 0.264 79 T C 0.494 174.958 174.700 -0.392 0.000 1.019 79 T CA -0.250 61.571 62.100 -0.466 0.000 0.910 79 T CB 0.048 68.565 68.868 -0.586 0.000 1.059 79 T HN 0.200 nan 8.240 nan 0.000 0.542 80 H N -0.551 118.536 119.070 0.029 0.000 3.196 80 H HA 0.610 5.166 4.556 0.001 0.000 0.303 80 H C -0.515 174.981 175.328 0.279 0.000 1.605 80 H CA -1.776 54.218 56.048 -0.089 0.000 1.351 80 H CB 0.265 29.518 29.762 -0.849 0.000 1.860 80 H HN 0.025 nan 8.280 nan 0.000 0.697 81 F N -0.493 119.598 119.950 0.235 0.000 3.027 81 F HA -0.271 4.256 4.527 0.001 0.000 0.276 81 F C 1.651 177.501 175.800 0.083 0.000 0.967 81 F CA 0.735 58.790 58.000 0.091 0.000 0.929 81 F CB -1.161 37.828 39.000 -0.018 0.000 0.873 81 F HN 0.513 nan 8.300 nan 0.000 0.787 82 K N 1.065 121.477 120.400 0.019 0.000 2.173 82 K HA -0.176 4.144 4.320 0.001 0.000 0.207 82 K C 2.251 178.843 176.600 -0.012 0.000 1.046 82 K CA 1.819 57.961 56.287 -0.242 0.000 0.929 82 K CB -0.551 31.626 32.500 -0.539 0.000 0.720 82 K HN 0.578 nan 8.250 nan 0.000 0.453 83 G N 0.023 108.830 108.800 0.012 0.000 2.404 83 G HA2 -0.189 3.772 3.960 0.001 0.000 0.215 83 G HA3 -0.189 3.772 3.960 0.001 0.000 0.215 83 G C 1.449 176.361 174.900 0.020 0.000 1.174 83 G CA 0.883 45.994 45.100 0.018 0.000 0.780 83 G HN 0.204 nan 8.290 nan 0.000 0.537 84 V N -0.318 119.586 119.914 -0.017 0.000 2.295 84 V HA -0.167 3.953 4.120 0.001 0.000 0.246 84 V C 2.431 178.447 176.094 -0.130 0.000 1.049 84 V CA 1.696 63.907 62.300 -0.148 0.000 1.024 84 V CB -0.752 30.866 31.823 -0.342 0.000 0.648 84 V HN 0.589 nan 8.190 nan 0.000 0.447 85 W N 0.241 121.589 121.300 0.081 0.000 2.374 85 W HA -0.140 4.521 4.660 0.001 0.000 0.288 85 W C 2.426 179.006 176.519 0.101 0.000 1.218 85 W CA 1.264 58.684 57.345 0.124 0.000 1.245 85 W CB -0.520 29.057 29.460 0.194 0.000 1.126 85 W HN 0.255 nan 8.180 nan 0.000 0.545 86 N N 0.493 119.341 118.700 0.246 0.000 2.223 86 N HA -0.159 4.581 4.740 0.001 0.000 0.185 86 N C 1.479 177.060 175.510 0.118 0.000 1.016 86 N CA 1.504 54.645 53.050 0.152 0.000 0.863 86 N CB -0.247 38.289 38.487 0.082 0.000 0.983 86 N HN 0.068 nan 8.380 nan 0.000 0.429 87 I N -0.985 119.637 120.570 0.087 0.000 2.277 87 I HA -0.163 4.008 4.170 0.001 0.000 0.243 87 I C 1.841 178.008 176.117 0.084 0.000 1.094 87 I CA 0.479 61.814 61.300 0.058 0.000 1.393 87 I CB -0.115 37.892 38.000 0.011 0.000 1.078 87 I HN -0.009 nan 8.210 nan 0.000 0.417 88 V N 1.362 121.339 119.914 0.105 0.000 2.332 88 V HA -0.278 3.843 4.120 0.001 0.000 0.248 88 V C 1.995 178.230 176.094 0.235 0.000 1.055 88 V CA 1.809 64.201 62.300 0.153 0.000 1.038 88 V CB -0.841 31.103 31.823 0.202 0.000 0.651 88 V HN 0.460 nan 8.190 nan 0.000 0.450 89 N N 0.780 119.645 118.700 0.275 0.000 2.519 89 N HA -0.101 4.639 4.740 0.001 0.000 0.186 89 N C 1.243 176.831 175.510 0.130 0.000 1.062 89 N CA 0.911 54.085 53.050 0.207 0.000 0.910 89 N CB -0.309 38.276 38.487 0.162 0.000 0.958 89 N HN 0.533 nan 8.380 nan 0.000 0.445 90 N N -0.075 118.696 118.700 0.119 0.000 2.184 90 N HA 0.185 4.926 4.740 0.001 0.000 0.206 90 N C -0.271 175.295 175.510 0.095 0.000 1.151 90 N CA -0.001 53.103 53.050 0.091 0.000 0.878 90 N CB 1.399 39.930 38.487 0.074 0.000 1.014 90 N HN 0.195 nan 8.380 nan 0.000 0.512 91 I N 2.203 122.838 120.570 0.109 0.000 2.361 91 I HA 0.212 4.382 4.170 0.001 0.000 0.282 91 I C -1.541 174.661 176.117 0.141 0.000 1.075 91 I CA -1.874 59.502 61.300 0.126 0.000 1.205 91 I CB 1.807 39.881 38.000 0.123 0.000 1.406 91 I HN -0.323 nan 8.210 nan 0.000 0.481 92 P HA -0.262 nan 4.420 nan 0.000 0.217 92 P C 1.548 178.958 177.300 0.183 0.000 1.151 92 P CA 1.593 64.783 63.100 0.149 0.000 0.849 92 P CB 0.050 31.834 31.700 0.139 0.000 0.787 93 F N -0.965 119.030 119.950 0.076 0.000 2.325 93 F HA -0.012 4.515 4.527 0.001 0.000 0.299 93 F C 1.796 177.645 175.800 0.081 0.000 1.090 93 F CA 1.016 59.059 58.000 0.071 0.000 1.392 93 F CB -0.860 38.172 39.000 0.053 0.000 1.053 93 F HN -0.219 nan 8.300 nan 0.000 0.521 94 L N 0.212 121.174 121.223 -0.434 0.000 2.068 94 L HA -0.039 4.301 4.340 0.001 0.000 0.204 94 L C 2.842 179.643 176.870 -0.114 0.000 1.076 94 L CA 1.066 55.627 54.840 -0.464 0.000 0.753 94 L CB -0.537 41.385 42.059 -0.229 0.000 0.910 94 L HN 0.081 nan 8.230 nan 0.000 0.439 95 R N -0.545 120.009 120.500 0.090 0.000 2.117 95 R HA -0.191 4.149 4.340 0.001 0.000 0.243 95 R C 2.302 178.757 176.300 0.259 0.000 1.143 95 R CA 1.938 58.232 56.100 0.323 0.000 0.968 95 R CB -0.096 30.356 30.300 0.252 0.000 0.863 95 R HN 0.229 nan 8.270 nan 0.000 0.444 96 S N 0.744 116.510 115.700 0.110 0.000 2.368 96 S HA -0.085 4.385 4.470 0.001 0.000 0.224 96 S C 1.764 176.393 174.600 0.049 0.000 1.029 96 S CA 0.916 59.172 58.200 0.093 0.000 0.988 96 S CB -0.158 63.099 63.200 0.095 0.000 0.838 96 S HN 0.362 nan 8.310 nan 0.000 0.462 97 L N 1.158 122.342 121.223 -0.065 0.000 2.083 97 L HA -0.086 4.254 4.340 0.001 0.000 0.209 97 L C 1.783 178.636 176.870 -0.028 0.000 1.083 97 L CA 1.085 55.873 54.840 -0.086 0.000 0.752 97 L CB -0.203 41.693 42.059 -0.272 0.000 0.899 97 L HN 0.280 nan 8.230 nan 0.000 0.433 98 I N -0.879 119.662 120.570 -0.049 0.000 2.286 98 I HA -0.258 3.912 4.170 0.001 0.000 0.245 98 I C 2.449 178.574 176.117 0.013 0.000 1.104 98 I CA 1.234 62.457 61.300 -0.129 0.000 1.397 98 I CB -0.845 36.831 38.000 -0.540 0.000 1.072 98 I HN 0.389 nan 8.210 nan 0.000 0.417 99 M N 1.377 121.102 119.600 0.207 0.000 2.159 99 M HA -0.206 4.274 4.480 0.001 0.000 0.263 99 M C 2.202 178.587 176.300 0.141 0.000 1.063 99 M CA 1.756 57.237 55.300 0.303 0.000 1.110 99 M CB -0.554 32.247 32.600 0.336 0.000 1.374 99 M HN 0.101 nan 8.290 nan 0.000 0.411 100 K N -1.309 119.152 120.400 0.102 0.000 2.097 100 K HA -0.246 4.075 4.320 0.001 0.000 0.206 100 K C 2.098 178.741 176.600 0.072 0.000 1.049 100 K CA 1.719 58.040 56.287 0.056 0.000 0.933 100 K CB -0.564 31.968 32.500 0.053 0.000 0.717 100 K HN 0.514 nan 8.250 nan 0.000 0.442 101 Y N 1.136 121.432 120.300 -0.006 0.000 2.263 101 Y HA -0.147 4.403 4.550 0.001 0.000 0.292 101 Y C 1.885 177.798 175.900 0.022 0.000 1.130 101 Y CA 1.357 59.454 58.100 -0.005 0.000 1.179 101 Y CB -0.279 38.159 38.460 -0.036 0.000 0.998 101 Y HN -0.019 nan 8.280 nan 0.000 0.532 102 V N -0.969 118.848 119.914 -0.163 0.000 2.427 102 V HA -0.177 3.943 4.120 0.001 0.000 0.248 102 V C 2.006 178.020 176.094 -0.135 0.000 1.051 102 V CA 1.692 63.868 62.300 -0.207 0.000 1.048 102 V CB -0.905 30.962 31.823 0.072 0.000 0.666 102 V HN 0.371 nan 8.190 nan 0.000 0.456 103 L N 2.030 123.215 121.223 -0.064 0.000 1.976 103 L HA -0.081 4.259 4.340 0.001 0.000 0.209 103 L C 3.035 179.863 176.870 -0.070 0.000 1.071 103 L CA 2.964 57.768 54.840 -0.060 0.000 0.746 103 L CB -1.472 40.535 42.059 -0.087 0.000 0.890 103 L HN 0.720 nan 8.230 nan 0.000 0.432 104 T N -4.167 110.341 114.554 -0.076 0.000 2.985 104 T HA -0.089 4.262 4.350 0.001 0.000 0.266 104 T C 2.007 176.703 174.700 -0.007 0.000 1.076 104 T CA 0.914 63.006 62.100 -0.014 0.000 1.135 104 T CB -0.639 68.239 68.868 0.016 0.000 0.890 104 T HN 0.370 nan 8.240 nan 0.000 0.480 105 S N 1.706 117.316 115.700 -0.150 0.000 2.400 105 S HA -0.086 4.385 4.470 0.001 0.000 0.232 105 S C 2.184 176.843 174.600 0.098 0.000 1.025 105 S CA 0.762 58.896 58.200 -0.108 0.000 0.993 105 S CB -0.417 62.494 63.200 -0.481 0.000 0.808 105 S HN 0.414 nan 8.310 nan 0.000 0.478 106 R N 0.874 121.374 120.500 0.001 0.000 2.161 106 R HA 0.293 4.633 4.340 0.001 0.000 0.213 106 R C 2.628 178.885 176.300 -0.072 0.000 1.055 106 R CA 0.798 56.877 56.100 -0.035 0.000 0.996 106 R CB -0.646 29.623 30.300 -0.052 0.000 0.901 106 R HN 0.398 nan 8.270 nan 0.000 0.456 107 S N 0.184 115.911 115.700 0.044 0.000 2.381 107 S HA -0.272 4.198 4.470 0.001 0.000 0.230 107 S C 1.585 176.168 174.600 -0.028 0.000 1.052 107 S CA 1.995 60.230 58.200 0.059 0.000 1.068 107 S CB -0.428 62.871 63.200 0.165 0.000 0.918 107 S HN 0.622 nan 8.310 nan 0.000 0.448 108 Y N -0.037 120.231 120.300 -0.055 0.000 2.651 108 Y HA 0.129 4.679 4.550 0.001 0.000 0.296 108 Y C 1.433 177.254 175.900 -0.131 0.000 1.150 108 Y CA 0.342 58.397 58.100 -0.075 0.000 1.348 108 Y CB -0.172 38.257 38.460 -0.053 0.000 0.983 108 Y HN 0.137 nan 8.280 nan 0.000 0.555 109 L N 0.911 121.652 121.223 -0.804 0.000 2.567 109 L HA 0.191 4.531 4.340 0.001 0.000 0.225 109 L C 0.134 176.653 176.870 -0.586 0.000 1.119 109 L CA 0.149 54.462 54.840 -0.877 0.000 0.871 109 L CB -0.408 41.121 42.059 -0.883 0.000 1.036 109 L HN 0.280 nan 8.230 nan 0.000 0.459 110 I N 0.045 120.396 120.570 -0.365 0.000 2.433 110 I HA 0.233 4.404 4.170 0.001 0.000 0.292 110 I C -0.384 175.640 176.117 -0.154 0.000 1.001 110 I CA -0.961 60.198 61.300 -0.235 0.000 1.119 110 I CB 1.637 39.534 38.000 -0.170 0.000 1.289 110 I HN -0.115 nan 8.210 nan 0.000 0.438 111 D N 4.164 124.500 120.400 -0.106 0.000 2.343 111 D HA 0.242 4.882 4.640 0.001 0.000 0.255 111 D C 0.079 176.323 176.300 -0.094 0.000 1.187 111 D CA 0.455 54.397 54.000 -0.097 0.000 0.875 111 D CB 1.142 41.888 40.800 -0.091 0.000 1.136 111 D HN 0.396 nan 8.370 nan 0.000 0.469 112 S N 2.514 118.148 115.700 -0.111 0.000 2.706 112 S HA 0.404 4.874 4.470 0.001 0.000 0.270 112 S C -2.742 171.790 174.600 -0.112 0.000 1.163 112 S CA -1.268 56.861 58.200 -0.118 0.000 1.042 112 S CB 0.805 63.903 63.200 -0.171 0.000 1.079 112 S HN 0.007 nan 8.310 nan 0.000 0.474 113 P HA 0.216 nan 4.420 nan 0.000 0.267 113 P C -2.518 174.748 177.300 -0.057 0.000 1.201 113 P CA -0.697 62.381 63.100 -0.036 0.000 0.775 113 P CB -0.104 31.578 31.700 -0.030 0.000 0.854 114 P HA 0.001 nan 4.420 nan 0.000 0.272 114 P C 0.163 177.390 177.300 -0.122 0.000 1.230 114 P CA 0.082 63.131 63.100 -0.084 0.000 0.788 114 P CB 0.700 32.330 31.700 -0.117 0.000 0.949 115 T N -1.388 113.046 114.554 -0.199 0.000 3.518 115 T HA 0.192 4.542 4.350 0.001 0.000 0.211 115 T C 0.609 175.093 174.700 -0.359 0.000 0.940 115 T CA 0.167 62.031 62.100 -0.394 0.000 1.307 115 T CB -0.778 67.654 68.868 -0.726 0.000 1.392 115 T HN 0.256 nan 8.240 nan 0.000 0.382 116 Y N 3.382 123.636 120.300 -0.077 0.000 2.340 116 Y HA 0.625 5.176 4.550 0.001 0.000 0.327 116 Y C 0.797 176.620 175.900 -0.128 0.000 1.321 116 Y CA -0.531 57.512 58.100 -0.096 0.000 1.433 116 Y CB 0.617 39.041 38.460 -0.062 0.000 1.373 116 Y HN 0.778 nan 8.280 nan 0.000 0.538 117 N N -2.937 115.780 118.700 0.027 0.000 3.277 117 N HA 0.089 4.829 4.740 0.001 0.000 0.278 117 N C -0.311 175.133 175.510 -0.110 0.000 1.544 117 N CA -0.645 52.338 53.050 -0.112 0.000 0.869 117 N CB 0.518 38.766 38.487 -0.397 0.000 1.584 117 N HN 0.424 nan 8.380 nan 0.000 0.564 118 V N -0.110 119.714 119.914 -0.150 0.000 2.453 118 V HA -0.230 3.891 4.120 0.001 0.000 0.252 118 V C 1.143 177.216 176.094 -0.035 0.000 1.068 118 V CA 2.106 64.349 62.300 -0.095 0.000 1.070 118 V CB -0.921 30.801 31.823 -0.168 0.000 0.664 118 V HN 0.718 nan 8.190 nan 0.000 0.461 119 H N -3.276 115.710 119.070 -0.140 0.000 2.622 119 H HA 0.240 4.797 4.556 0.001 0.000 0.269 119 H C -0.532 174.399 175.328 -0.662 0.000 0.977 119 H CA -0.107 55.757 56.048 -0.306 0.000 1.179 119 H CB 0.454 30.058 29.762 -0.264 0.000 1.458 119 H HN 0.475 nan 8.280 nan 0.000 0.531 120 Y N -0.216 120.008 120.300 -0.128 0.000 2.327 120 Y HA 0.318 4.869 4.550 0.001 0.000 0.325 120 Y C 0.786 176.580 175.900 -0.176 0.000 0.999 120 Y CA -0.816 57.104 58.100 -0.300 0.000 1.195 120 Y CB 2.005 40.216 38.460 -0.414 0.000 1.132 120 Y HN 0.066 nan 8.280 nan 0.000 0.455 121 G N 2.448 111.202 108.800 -0.077 0.000 3.233 121 G HA2 0.167 4.128 3.960 0.001 0.000 0.234 121 G HA3 0.167 4.128 3.960 0.001 0.000 0.234 121 G C -0.582 174.431 174.900 0.188 0.000 1.137 121 G CA 0.132 45.211 45.100 -0.035 0.000 0.763 121 G HN 0.568 nan 8.290 nan 0.000 0.549 122 Y N -2.161 118.357 120.300 0.364 0.000 2.562 122 Y HA 0.689 5.239 4.550 0.001 0.000 0.345 122 Y C -0.223 175.852 175.900 0.292 0.000 1.045 122 Y CA -2.160 56.168 58.100 0.379 0.000 1.028 122 Y CB 0.971 39.557 38.460 0.210 0.000 1.297 122 Y HN -0.223 nan 8.280 nan 0.000 0.463 123 K N 2.209 122.736 120.400 0.211 0.000 2.448 123 K HA 0.432 4.752 4.320 0.001 0.000 0.278 123 K C -0.316 176.329 176.600 0.076 0.000 1.009 123 K CA 0.409 56.683 56.287 -0.022 0.000 0.995 123 K CB 0.460 32.909 32.500 -0.084 0.000 0.917 123 K HN 0.888 nan 8.250 nan 0.000 0.481 124 S N 1.147 116.785 115.700 -0.103 0.000 2.607 124 S HA 0.215 4.686 4.470 0.001 0.000 0.273 124 S C 0.046 174.607 174.600 -0.066 0.000 1.148 124 S CA -1.129 57.034 58.200 -0.062 0.000 0.833 124 S CB 0.712 63.722 63.200 -0.317 0.000 1.130 124 S HN 0.882 nan 8.310 nan 0.000 0.470 125 W N 1.107 122.360 121.300 -0.078 0.000 2.425 125 W HA -0.053 4.608 4.660 0.001 0.000 0.277 125 W C 1.464 177.968 176.519 -0.026 0.000 1.231 125 W CA 2.023 59.369 57.345 0.002 0.000 1.248 125 W CB -0.074 29.400 29.460 0.024 0.000 1.117 125 W HN 1.029 nan 8.180 nan 0.000 0.568 126 E N 0.949 121.096 120.200 -0.088 0.000 2.072 126 E HA -0.149 4.202 4.350 0.001 0.000 0.191 126 E C 2.246 178.632 176.600 -0.356 0.000 0.985 126 E CA 2.337 58.628 56.400 -0.181 0.000 0.801 126 E CB -0.673 28.880 29.700 -0.245 0.000 0.750 126 E HN 0.074 nan 8.360 nan 0.000 0.452 127 A N -0.055 122.420 122.820 -0.576 0.000 1.902 127 A HA -0.114 4.207 4.320 0.001 0.000 0.217 127 A C 2.222 179.584 177.584 -0.370 0.000 1.181 127 A CA 1.462 53.198 52.037 -0.502 0.000 0.623 127 A CB -0.975 17.748 19.000 -0.461 0.000 0.818 127 A HN 0.485 nan 8.150 nan 0.000 0.443 128 F N 1.928 121.565 119.950 -0.522 0.000 2.146 128 F HA -0.141 4.387 4.527 0.001 0.000 0.298 128 F C 2.518 177.976 175.800 -0.569 0.000 1.096 128 F CA 2.069 59.725 58.000 -0.572 0.000 1.275 128 F CB -0.261 38.285 39.000 -0.757 0.000 1.008 128 F HN 0.278 nan 8.300 nan 0.000 0.480 129 S N -0.833 114.354 115.700 -0.856 0.000 2.478 129 S HA 0.009 4.479 4.470 0.001 0.000 0.222 129 S C 0.902 175.264 174.600 -0.396 0.000 1.008 129 S CA -0.033 57.697 58.200 -0.783 0.000 0.928 129 S CB -0.717 62.224 63.200 -0.431 0.000 0.781 129 S HN 0.360 nan 8.310 nan 0.000 0.518 130 N N 1.969 120.543 118.700 -0.211 0.000 2.402 130 N HA 0.235 4.975 4.740 0.001 0.000 0.252 130 N C 0.461 175.978 175.510 0.012 0.000 1.118 130 N CA -0.118 52.940 53.050 0.014 0.000 0.945 130 N CB 0.486 39.139 38.487 0.276 0.000 1.147 130 N HN 0.367 nan 8.380 nan 0.000 0.495 131 L N 1.753 122.956 121.223 -0.034 0.000 2.551 131 L HA -0.024 4.316 4.340 0.001 0.000 0.228 131 L C 1.679 178.632 176.870 0.139 0.000 1.153 131 L CA 0.400 55.247 54.840 0.012 0.000 0.851 131 L CB -0.018 42.040 42.059 -0.002 0.000 0.959 131 L HN 0.423 nan 8.230 nan 0.000 0.451 132 S N -1.577 114.156 115.700 0.055 0.000 2.522 132 S HA 0.019 4.489 4.470 0.001 0.000 0.227 132 S C 0.304 174.881 174.600 -0.039 0.000 0.986 132 S CA 0.197 58.391 58.200 -0.010 0.000 0.929 132 S CB -0.123 63.062 63.200 -0.025 0.000 0.769 132 S HN 0.230 nan 8.310 nan 0.000 0.529 133 Y N 0.602 120.880 120.300 -0.037 0.000 2.308 133 Y HA 0.331 4.881 4.550 0.001 0.000 0.329 133 Y C 0.041 175.864 175.900 -0.129 0.000 1.111 133 Y CA -1.106 56.854 58.100 -0.233 0.000 1.179 133 Y CB 0.431 38.751 38.460 -0.233 0.000 1.201 133 Y HN 0.056 nan 8.280 nan 0.000 0.483 134 Y N 1.323 121.667 120.300 0.075 0.000 2.497 134 Y HA 0.041 4.592 4.550 0.001 0.000 0.334 134 Y C 1.051 176.974 175.900 0.037 0.000 1.199 134 Y CA 0.137 58.292 58.100 0.092 0.000 1.425 134 Y CB 0.536 39.013 38.460 0.029 0.000 1.291 134 Y HN 0.538 nan 8.280 nan 0.000 0.562 135 T N 3.346 118.008 114.554 0.181 0.000 2.770 135 T HA 0.424 4.775 4.350 0.001 0.000 0.281 135 T C -0.310 174.440 174.700 0.082 0.000 0.981 135 T CA -0.684 61.451 62.100 0.059 0.000 0.955 135 T CB 0.344 69.211 68.868 -0.003 0.000 1.060 135 T HN 0.435 nan 8.240 nan 0.000 0.531 136 R N 0.792 121.347 120.500 0.090 0.000 2.532 136 R HA 0.553 4.893 4.340 0.001 0.000 0.297 136 R C 0.616 177.039 176.300 0.204 0.000 0.984 136 R CA -0.453 55.719 56.100 0.119 0.000 0.884 136 R CB 1.458 31.817 30.300 0.099 0.000 1.182 136 R HN 0.715 nan 8.270 nan 0.000 0.442 137 A N 3.701 126.683 122.820 0.270 0.000 1.968 137 A HA 0.125 4.446 4.320 0.001 0.000 0.217 137 A C 0.671 178.396 177.584 0.235 0.000 1.169 137 A CA 0.992 53.243 52.037 0.357 0.000 0.638 137 A CB 0.225 19.623 19.000 0.663 0.000 0.812 137 A HN 0.477 nan 8.150 nan 0.000 0.446 138 L N 0.445 121.755 121.223 0.146 0.000 2.386 138 L HA 0.376 4.716 4.340 0.001 0.000 0.271 138 L C -2.534 174.222 176.870 -0.190 0.000 0.993 138 L CA -2.579 52.185 54.840 -0.125 0.000 0.819 138 L CB 2.673 44.441 42.059 -0.484 0.000 1.294 138 L HN 0.010 nan 8.230 nan 0.000 0.414 139 P HA 0.141 nan 4.420 nan 0.000 0.269 139 P C -2.674 174.478 177.300 -0.246 0.000 1.215 139 P CA -1.180 61.620 63.100 -0.500 0.000 0.780 139 P CB -0.264 30.895 31.700 -0.902 0.000 0.898 140 P HA -0.010 nan 4.420 nan 0.000 0.270 140 P C -0.209 177.054 177.300 -0.063 0.000 1.223 140 P CA 0.060 63.136 63.100 -0.041 0.000 0.785 140 P CB 0.255 31.960 31.700 0.008 0.000 0.923 141 V N 1.506 121.411 119.914 -0.016 0.000 2.521 141 V HA 0.163 4.283 4.120 0.001 0.000 0.286 141 V C 1.192 177.286 176.094 0.000 0.000 1.034 141 V CA -0.218 62.073 62.300 -0.016 0.000 1.045 141 V CB -0.209 31.621 31.823 0.012 0.000 0.974 141 V HN 0.732 nan 8.190 nan 0.000 0.480 142 A N 3.851 126.667 122.820 -0.007 0.000 2.555 142 A HA 0.040 4.360 4.320 0.001 0.000 0.233 142 A C 1.228 178.825 177.584 0.021 0.000 1.060 142 A CA -0.133 51.911 52.037 0.012 0.000 0.759 142 A CB -0.092 18.918 19.000 0.015 0.000 0.995 142 A HN 0.898 nan 8.150 nan 0.000 0.506 143 D N 0.320 120.735 120.400 0.025 0.000 2.265 143 D HA -0.114 4.526 4.640 0.001 0.000 0.208 143 D C 0.830 177.146 176.300 0.028 0.000 0.977 143 D CA 1.863 55.880 54.000 0.028 0.000 0.871 143 D CB 0.117 40.931 40.800 0.023 0.000 0.925 143 D HN 0.747 nan 8.370 nan 0.000 0.485 144 D N -0.595 119.823 120.400 0.029 0.000 2.559 144 D HA 0.000 4.641 4.640 0.001 0.000 0.234 144 D C -0.232 176.085 176.300 0.029 0.000 1.226 144 D CA -0.430 53.589 54.000 0.031 0.000 0.830 144 D CB -0.960 39.863 40.800 0.039 0.000 1.028 144 D HN -0.045 nan 8.370 nan 0.000 0.492 145 c N 2.058 120.673 118.600 0.024 0.000 2.605 145 c HA 0.245 4.815 4.570 0.001 0.000 0.404 145 c C -0.334 173.769 174.090 0.022 0.000 1.284 145 c CA -0.943 55.397 56.329 0.019 0.000 2.199 145 c CB 1.397 43.913 42.510 0.011 0.000 2.647 145 c HN 0.308 nan 8.230 nan 0.000 0.604 146 P HA -0.014 nan 4.420 nan 0.000 0.225 146 P C 0.403 177.718 177.300 0.025 0.000 1.156 146 P CA 1.321 64.434 63.100 0.023 0.000 0.787 146 P CB -0.029 31.684 31.700 0.021 0.000 0.802 147 T N -5.722 108.848 114.554 0.026 0.000 2.887 147 T HA 0.485 4.835 4.350 0.001 0.000 0.292 147 T C -2.460 172.263 174.700 0.039 0.000 1.087 147 T CA -2.111 60.009 62.100 0.034 0.000 1.009 147 T CB 2.005 70.896 68.868 0.038 0.000 1.203 147 T HN -0.349 nan 8.240 nan 0.000 0.518 148 P HA 0.065 nan 4.420 nan 0.000 0.219 148 P C 1.302 178.641 177.300 0.065 0.000 1.150 148 P CA 0.865 64.001 63.100 0.060 0.000 0.814 148 P CB 0.034 31.777 31.700 0.072 0.000 0.787 149 M N -2.107 117.532 119.600 0.065 0.000 2.495 149 M HA 0.288 4.768 4.480 0.001 0.000 0.237 149 M C 1.287 177.600 176.300 0.022 0.000 1.131 149 M CA 0.510 55.844 55.300 0.056 0.000 1.032 149 M CB -0.702 31.940 32.600 0.070 0.000 1.513 149 M HN 0.083 nan 8.290 nan 0.000 0.488 150 G N 0.323 109.134 108.800 0.017 0.000 1.829 150 G HA2 -0.217 3.743 3.960 0.001 0.000 0.214 150 G HA3 -0.217 3.743 3.960 0.001 0.000 0.214 150 G C 0.316 175.218 174.900 0.003 0.000 1.627 150 G CA 0.287 45.385 45.100 -0.003 0.000 1.390 150 G HN 0.350 nan 8.290 nan 0.000 0.458 151 V N -1.070 118.844 119.914 -0.000 0.000 3.612 151 V HA 0.517 4.637 4.120 0.001 0.000 0.268 151 V C 0.769 176.874 176.094 0.017 0.000 1.365 151 V CA 1.195 63.499 62.300 0.007 0.000 1.044 151 V CB 0.107 31.930 31.823 -0.001 0.000 0.820 151 V HN 0.473 nan 8.190 nan 0.000 0.444 152 K N 1.570 121.982 120.400 0.020 0.000 2.090 152 K HA 0.630 4.951 4.320 0.001 0.000 0.250 152 K C 0.666 177.298 176.600 0.052 0.000 1.004 152 K CA 0.349 56.656 56.287 0.034 0.000 0.919 152 K CB 1.015 33.533 32.500 0.030 0.000 1.045 152 K HN 0.667 nan 8.250 nan 0.000 0.471 153 G N 1.077 109.916 108.800 0.065 0.000 2.681 153 G HA2 -0.217 3.744 3.960 0.001 0.000 0.220 153 G HA3 -0.217 3.744 3.960 0.001 0.000 0.220 153 G C -0.867 174.070 174.900 0.061 0.000 1.353 153 G CA -0.784 44.366 45.100 0.083 0.000 0.872 153 G HN 0.613 nan 8.290 nan 0.000 0.557 154 N N 0.248 118.984 118.700 0.059 0.000 2.476 154 N HA 0.406 5.146 4.740 0.001 0.000 0.276 154 N C 1.313 176.843 175.510 0.034 0.000 1.204 154 N CA -0.641 52.432 53.050 0.038 0.000 0.974 154 N CB 1.000 39.501 38.487 0.025 0.000 1.204 154 N HN 0.475 nan 8.380 nan 0.000 0.543 155 K N 0.721 121.136 120.400 0.025 0.000 2.286 155 K HA -0.082 4.239 4.320 0.001 0.000 0.203 155 K C -0.161 176.453 176.600 0.024 0.000 1.045 155 K CA 1.403 57.704 56.287 0.023 0.000 0.935 155 K CB -0.081 32.429 32.500 0.017 0.000 0.737 155 K HN 0.616 nan 8.250 nan 0.000 0.460 156 E N -0.436 119.775 120.200 0.019 0.000 2.340 156 E HA 0.258 4.608 4.350 0.001 0.000 0.273 156 E C -1.027 175.579 176.600 0.012 0.000 0.891 156 E CA -0.836 55.574 56.400 0.017 0.000 0.757 156 E CB 1.665 31.367 29.700 0.005 0.000 1.231 156 E HN -0.244 nan 8.360 nan 0.000 0.439 157 L N 2.637 123.872 121.223 0.020 0.000 2.476 157 L HA 0.273 4.614 4.340 0.001 0.000 0.264 157 L C -1.903 174.917 176.870 -0.082 0.000 1.224 157 L CA -1.773 53.070 54.840 0.005 0.000 0.821 157 L CB -0.764 41.337 42.059 0.070 0.000 1.101 157 L HN 0.457 nan 8.230 nan 0.000 0.488 158 P HA -0.031 nan 4.420 nan 0.000 0.267 158 P C -0.485 176.725 177.300 -0.151 0.000 1.200 158 P CA -0.381 62.564 63.100 -0.259 0.000 0.772 158 P CB 0.273 31.647 31.700 -0.544 0.000 0.855 159 D N 1.409 121.744 120.400 -0.109 0.000 2.793 159 D HA -0.094 4.546 4.640 0.001 0.000 0.230 159 D C 1.323 177.592 176.300 -0.051 0.000 1.139 159 D CA 0.628 54.589 54.000 -0.064 0.000 0.838 159 D CB 0.686 41.453 40.800 -0.055 0.000 1.149 159 D HN 0.339 nan 8.370 nan 0.000 0.526 160 S N 4.046 119.733 115.700 -0.021 0.000 2.368 160 S HA -0.246 4.225 4.470 0.001 0.000 0.225 160 S C 1.808 176.414 174.600 0.010 0.000 1.030 160 S CA 1.222 59.426 58.200 0.007 0.000 0.999 160 S CB -0.083 63.128 63.200 0.019 0.000 0.844 160 S HN 0.634 nan 8.310 nan 0.000 0.459 161 K N 1.194 121.593 120.400 -0.001 0.000 2.103 161 K HA -0.161 4.159 4.320 0.001 0.000 0.207 161 K C 2.186 178.783 176.600 -0.005 0.000 1.048 161 K CA 1.678 57.965 56.287 -0.000 0.000 0.930 161 K CB -0.237 32.260 32.500 -0.006 0.000 0.716 161 K HN 0.425 nan 8.250 nan 0.000 0.444 162 E N -0.178 120.010 120.200 -0.020 0.000 2.106 162 E HA -0.106 4.244 4.350 0.001 0.000 0.192 162 E C 1.722 178.310 176.600 -0.019 0.000 0.984 162 E CA 1.059 57.441 56.400 -0.029 0.000 0.806 162 E CB 0.186 29.852 29.700 -0.056 0.000 0.750 162 E HN 0.149 nan 8.360 nan 0.000 0.458 163 V N 0.875 120.784 119.914 -0.008 0.000 2.379 163 V HA -0.192 3.928 4.120 0.001 0.000 0.245 163 V C 2.349 178.469 176.094 0.043 0.000 1.044 163 V CA 1.322 63.642 62.300 0.032 0.000 1.036 163 V CB -0.510 31.365 31.823 0.087 0.000 0.664 163 V HN 0.366 nan 8.190 nan 0.000 0.453 164 L N 0.169 121.417 121.223 0.043 0.000 1.956 164 L HA -0.282 4.058 4.340 0.001 0.000 0.216 164 L C 2.692 179.578 176.870 0.027 0.000 1.073 164 L CA 2.349 57.216 54.840 0.045 0.000 0.762 164 L CB -0.373 41.709 42.059 0.039 0.000 0.889 164 L HN 0.426 nan 8.230 nan 0.000 0.433 165 E N -0.728 119.480 120.200 0.014 0.000 2.150 165 E HA -0.209 4.142 4.350 0.001 0.000 0.193 165 E C 2.177 178.778 176.600 0.002 0.000 0.985 165 E CA 0.933 57.337 56.400 0.005 0.000 0.814 165 E CB 0.123 29.822 29.700 -0.001 0.000 0.752 165 E HN 0.487 nan 8.360 nan 0.000 0.466 166 K N 0.298 120.698 120.400 -0.000 0.000 2.076 166 K HA -0.046 4.274 4.320 0.001 0.000 0.204 166 K C 2.032 178.630 176.600 -0.003 0.000 1.051 166 K CA 1.461 57.744 56.287 -0.007 0.000 0.949 166 K CB 0.450 32.940 32.500 -0.016 0.000 0.726 166 K HN 0.142 nan 8.250 nan 0.000 0.443 167 V N -2.685 117.233 119.914 0.006 0.000 3.398 167 V HA 0.187 4.308 4.120 0.001 0.000 0.298 167 V C 1.254 177.349 176.094 0.002 0.000 1.496 167 V CA -0.025 62.276 62.300 0.002 0.000 1.044 167 V CB -0.012 31.815 31.823 0.008 0.000 0.880 167 V HN 0.049 nan 8.190 nan 0.000 0.443 168 L N -0.075 121.156 121.223 0.012 0.000 2.467 168 L HA 0.416 4.757 4.340 0.001 0.000 0.213 168 L C 0.900 177.784 176.870 0.024 0.000 1.053 168 L CA 0.221 55.072 54.840 0.017 0.000 0.847 168 L CB 0.257 42.339 42.059 0.039 0.000 1.075 168 L HN 0.208 nan 8.230 nan 0.000 0.479 169 L N 1.569 122.805 121.223 0.022 0.000 2.416 169 L HA 0.107 4.448 4.340 0.001 0.000 0.272 169 L C 0.736 177.616 176.870 0.018 0.000 1.161 169 L CA 0.033 54.886 54.840 0.021 0.000 0.845 169 L CB 0.422 42.488 42.059 0.013 0.000 1.119 169 L HN 0.204 nan 8.230 nan 0.000 0.464 170 R N 3.166 123.683 120.500 0.027 0.000 2.401 170 R HA 0.112 4.452 4.340 0.001 0.000 0.299 170 R C 0.691 177.008 176.300 0.028 0.000 1.064 170 R CA -0.444 55.676 56.100 0.033 0.000 1.000 170 R CB 0.691 31.030 30.300 0.064 0.000 0.973 170 R HN 0.619 nan 8.270 nan 0.000 0.438 171 R N 3.239 123.751 120.500 0.021 0.000 2.033 171 R HA 0.089 4.429 4.340 0.001 0.000 0.219 171 R C 0.229 176.551 176.300 0.036 0.000 1.223 171 R CA 0.784 56.897 56.100 0.021 0.000 0.971 171 R CB -0.450 29.855 30.300 0.009 0.000 0.855 171 R HN 0.624 nan 8.270 nan 0.000 0.452 172 E N 0.586 120.807 120.200 0.034 0.000 2.191 172 E HA 0.199 4.549 4.350 0.001 0.000 0.274 172 E C -1.293 175.359 176.600 0.085 0.000 0.948 172 E CA -0.792 55.644 56.400 0.061 0.000 0.802 172 E CB 1.310 31.031 29.700 0.036 0.000 1.137 172 E HN -0.000 nan 8.360 nan 0.000 0.397 173 F N 4.588 124.530 119.950 -0.014 0.000 2.571 173 F HA 0.163 4.691 4.527 0.001 0.000 0.384 173 F C -0.499 175.288 175.800 -0.022 0.000 1.058 173 F CA 0.050 58.040 58.000 -0.017 0.000 1.200 173 F CB 0.228 39.214 39.000 -0.023 0.000 1.077 173 F HN 0.317 nan 8.300 nan 0.000 0.558 174 I N 9.487 129.680 120.570 -0.628 0.000 2.306 174 I HA 0.262 4.433 4.170 0.001 0.000 0.288 174 I C -2.069 173.539 176.117 -0.849 0.000 1.036 174 I CA -2.156 58.816 61.300 -0.547 0.000 1.221 174 I CB 0.889 38.713 38.000 -0.292 0.000 1.385 174 I HN 0.444 nan 8.210 nan 0.000 0.472 175 P HA 0.056 nan 4.420 nan 0.000 0.274 175 P C -0.782 176.334 177.300 -0.306 0.000 1.231 175 P CA -0.297 62.477 63.100 -0.544 0.000 0.790 175 P CB 0.918 32.515 31.700 -0.171 0.000 0.951 176 D N 3.339 123.604 120.400 -0.226 0.000 2.401 176 D HA 0.031 4.671 4.640 0.001 0.000 0.254 176 D C -1.190 175.010 176.300 -0.167 0.000 1.192 176 D CA -1.785 52.092 54.000 -0.206 0.000 0.885 176 D CB 0.368 41.045 40.800 -0.206 0.000 1.147 176 D HN 0.182 nan 8.370 nan 0.000 0.478 177 P HA -0.125 nan 4.420 nan 0.000 0.226 177 P C 0.606 177.820 177.300 -0.143 0.000 1.153 177 P CA 0.906 63.923 63.100 -0.139 0.000 0.777 177 P CB 0.258 31.877 31.700 -0.135 0.000 0.794 178 Q N -0.758 118.923 119.800 -0.198 0.000 2.444 178 Q HA 0.172 4.512 4.340 0.001 0.000 0.206 178 Q C 1.198 177.152 176.000 -0.076 0.000 0.948 178 Q CA 0.521 56.199 55.803 -0.208 0.000 0.946 178 Q CB -0.336 28.158 28.738 -0.408 0.000 1.027 178 Q HN 0.251 nan 8.270 nan 0.000 0.513 179 G N 1.383 110.145 108.800 -0.064 0.000 2.160 179 G HA2 -0.285 3.676 3.960 0.001 0.000 0.251 179 G HA3 -0.285 3.676 3.960 0.001 0.000 0.251 179 G C 0.044 174.948 174.900 0.006 0.000 1.008 179 G CA 0.302 45.397 45.100 -0.008 0.000 0.724 179 G HN 0.310 nan 8.290 nan 0.000 0.514 180 S N 0.737 116.423 115.700 -0.025 0.000 2.561 180 S HA 0.341 4.811 4.470 0.001 0.000 0.294 180 S C 0.808 175.399 174.600 -0.015 0.000 1.294 180 S CA 0.762 58.887 58.200 -0.125 0.000 1.055 180 S CB 0.621 63.658 63.200 -0.273 0.000 0.819 180 S HN 1.057 nan 8.310 nan 0.000 0.503 181 N N 1.148 119.884 118.700 0.060 0.000 3.002 181 N HA 0.408 5.149 4.740 0.001 0.000 0.331 181 N C 0.465 176.087 175.510 0.186 0.000 1.384 181 N CA -0.950 52.180 53.050 0.134 0.000 0.780 181 N CB -0.091 38.486 38.487 0.150 0.000 1.492 181 N HN 0.256 nan 8.380 nan 0.000 0.608 182 M N -0.357 119.319 119.600 0.126 0.000 2.319 182 M HA 0.111 4.591 4.480 0.001 0.000 0.265 182 M C 1.467 177.870 176.300 0.171 0.000 1.068 182 M CA 1.082 56.357 55.300 -0.042 0.000 1.118 182 M CB -1.065 31.365 32.600 -0.282 0.000 1.395 182 M HN 0.523 nan 8.290 nan 0.000 0.435 183 M N -1.090 118.743 119.600 0.388 0.000 2.159 183 M HA -0.184 4.296 4.480 0.001 0.000 0.263 183 M C 2.247 178.972 176.300 0.709 0.000 1.063 183 M CA 1.489 57.144 55.300 0.592 0.000 1.110 183 M CB -1.288 31.616 32.600 0.507 0.000 1.374 183 M HN 0.223 nan 8.290 nan 0.000 0.411 184 F N 0.977 121.157 119.950 0.383 0.000 2.098 184 F HA -0.030 4.497 4.527 0.001 0.000 0.294 184 F C 2.362 178.276 175.800 0.189 0.000 1.107 184 F CA 1.558 59.641 58.000 0.139 0.000 1.234 184 F CB -0.507 38.448 39.000 -0.075 0.000 1.002 184 F HN 0.101 nan 8.300 nan 0.000 0.472 185 A N 0.507 123.431 122.820 0.174 0.000 1.884 185 A HA -0.251 4.069 4.320 0.001 0.000 0.219 185 A C 2.058 179.568 177.584 -0.123 0.000 1.197 185 A CA 2.211 54.221 52.037 -0.046 0.000 0.637 185 A CB -1.664 17.206 19.000 -0.216 0.000 0.827 185 A HN 0.462 nan 8.150 nan 0.000 0.450 186 F N -1.853 118.183 119.950 0.143 0.000 2.407 186 F HA 0.029 4.557 4.527 0.001 0.000 0.299 186 F C 1.878 177.736 175.800 0.097 0.000 1.097 186 F CA 0.458 58.550 58.000 0.154 0.000 1.422 186 F CB -0.727 38.420 39.000 0.246 0.000 1.067 186 F HN 0.347 nan 8.300 nan 0.000 0.539 187 F N 0.484 120.474 119.950 0.067 0.000 2.186 187 F HA -0.081 4.446 4.527 0.001 0.000 0.299 187 F C 2.310 177.970 175.800 -0.232 0.000 1.090 187 F CA 1.256 59.031 58.000 -0.374 0.000 1.307 187 F CB -0.322 38.522 39.000 -0.260 0.000 1.019 187 F HN -0.084 nan 8.300 nan 0.000 0.489 188 A N -0.312 122.524 122.820 0.026 0.000 1.898 188 A HA -0.210 4.111 4.320 0.001 0.000 0.216 188 A C 2.194 179.713 177.584 -0.109 0.000 1.181 188 A CA 1.578 53.655 52.037 0.067 0.000 0.620 188 A CB -0.930 18.189 19.000 0.199 0.000 0.819 188 A HN 0.558 nan 8.150 nan 0.000 0.442 189 Q N -1.180 118.545 119.800 -0.126 0.000 2.050 189 Q HA -0.242 4.098 4.340 0.001 0.000 0.202 189 Q C 2.137 177.872 176.000 -0.443 0.000 0.980 189 Q CA 1.663 57.282 55.803 -0.306 0.000 0.840 189 Q CB -0.343 28.255 28.738 -0.232 0.000 0.898 189 Q HN 0.878 nan 8.270 nan 0.000 0.424 190 H N -0.544 118.262 119.070 -0.439 0.000 2.293 190 H HA -0.173 4.383 4.556 0.001 0.000 0.300 190 H C 2.010 177.116 175.328 -0.369 0.000 1.082 190 H CA 1.858 57.611 56.048 -0.492 0.000 1.308 190 H CB -0.345 29.133 29.762 -0.473 0.000 1.375 190 H HN 0.355 nan 8.280 nan 0.000 0.495 191 F N 2.074 121.637 119.950 -0.645 0.000 2.075 191 F HA -0.210 4.318 4.527 0.001 0.000 0.297 191 F C 2.813 178.006 175.800 -1.012 0.000 1.113 191 F CA 2.537 60.060 58.000 -0.796 0.000 1.218 191 F CB -0.960 37.550 39.000 -0.816 0.000 0.984 191 F HN 0.237 nan 8.300 nan 0.000 0.472 192 T N -2.688 111.189 114.554 -1.129 0.000 2.915 192 T HA -0.209 4.141 4.350 0.001 0.000 0.269 192 T C 1.422 175.243 174.700 -1.465 0.000 1.071 192 T CA 1.692 62.747 62.100 -1.742 0.000 1.132 192 T CB -0.945 67.286 68.868 -1.062 0.000 0.878 192 T HN 0.412 nan 8.240 nan 0.000 0.479 193 H N 1.649 120.165 119.070 -0.923 0.000 2.543 193 H HA 0.175 4.732 4.556 0.001 0.000 0.269 193 H C 2.326 177.297 175.328 -0.594 0.000 1.005 193 H CA 0.654 56.391 56.048 -0.518 0.000 1.146 193 H CB -0.219 29.491 29.762 -0.088 0.000 1.353 193 H HN 0.773 nan 8.280 nan 0.000 0.595 194 Q N -0.219 119.007 119.800 -0.958 0.000 2.250 194 Q HA -0.045 4.295 4.340 0.001 0.000 0.200 194 Q C 0.905 176.511 176.000 -0.657 0.000 0.941 194 Q CA 0.940 56.223 55.803 -0.867 0.000 0.872 194 Q CB -0.135 27.855 28.738 -1.247 0.000 0.965 194 Q HN 0.578 nan 8.270 nan 0.000 0.480 195 F N -2.554 116.966 119.950 -0.716 0.000 2.706 195 F HA 0.492 5.019 4.527 0.001 0.000 0.308 195 F C -0.269 175.246 175.800 -0.474 0.000 1.095 195 F CA -1.162 56.468 58.000 -0.615 0.000 1.244 195 F CB 0.538 39.146 39.000 -0.653 0.000 1.063 195 F HN -0.230 nan 8.300 nan 0.000 0.582 196 F N 3.586 123.347 119.950 -0.315 0.000 2.313 196 F HA 0.498 5.026 4.527 0.001 0.000 0.369 196 F C -0.124 175.492 175.800 -0.305 0.000 1.109 196 F CA -1.719 56.134 58.000 -0.245 0.000 1.132 196 F CB 0.973 39.679 39.000 -0.490 0.000 1.291 196 F HN -0.030 nan 8.300 nan 0.000 0.496 197 K N 2.139 122.562 120.400 0.039 0.000 3.050 197 K HA 0.202 4.522 4.320 0.001 0.000 0.185 197 K C -0.543 176.007 176.600 -0.084 0.000 1.147 197 K CA -0.354 55.882 56.287 -0.085 0.000 0.916 197 K CB 1.151 33.558 32.500 -0.156 0.000 1.119 197 K HN 0.342 nan 8.250 nan 0.000 0.605 198 T N 1.413 115.928 114.554 -0.065 0.000 2.888 198 T HA -0.036 4.315 4.350 0.001 0.000 0.301 198 T C 0.074 174.537 174.700 -0.394 0.000 1.001 198 T CA 0.333 62.328 62.100 -0.176 0.000 1.147 198 T CB 0.423 69.141 68.868 -0.250 0.000 0.931 198 T HN 0.257 nan 8.240 nan 0.000 0.541 199 D N 1.533 121.772 120.400 -0.267 0.000 2.494 199 D HA 0.056 4.697 4.640 0.001 0.000 0.217 199 D C 1.201 177.392 176.300 -0.182 0.000 1.153 199 D CA -0.341 53.537 54.000 -0.203 0.000 0.954 199 D CB 0.086 40.792 40.800 -0.158 0.000 1.034 199 D HN 0.540 nan 8.370 nan 0.000 0.518 200 H N 2.693 121.761 119.070 -0.004 0.000 2.521 200 H HA -0.061 4.496 4.556 0.001 0.000 0.286 200 H C 1.443 176.756 175.328 -0.025 0.000 1.034 200 H CA 0.749 56.800 56.048 0.005 0.000 1.278 200 H CB 0.523 30.288 29.762 0.006 0.000 1.386 200 H HN 0.485 nan 8.280 nan 0.000 0.567 201 K N 1.009 121.424 120.400 0.026 0.000 2.097 201 K HA -0.073 4.247 4.320 0.001 0.000 0.205 201 K C 2.100 178.643 176.600 -0.095 0.000 1.050 201 K CA 0.746 57.014 56.287 -0.031 0.000 0.938 201 K CB 0.015 32.478 32.500 -0.060 0.000 0.718 201 K HN 0.283 nan 8.250 nan 0.000 0.442 202 R N 0.604 120.990 120.500 -0.191 0.000 2.080 202 R HA 0.067 4.407 4.340 0.001 0.000 0.222 202 R C 0.826 177.019 176.300 -0.178 0.000 1.107 202 R CA 0.748 56.608 56.100 -0.399 0.000 0.980 202 R CB 0.264 29.997 30.300 -0.945 0.000 0.879 202 R HN 0.328 nan 8.270 nan 0.000 0.439 203 G N -0.586 108.239 108.800 0.043 0.000 2.326 203 G HA2 -0.077 3.884 3.960 0.001 0.000 0.413 203 G HA3 -0.077 3.884 3.960 0.001 0.000 0.413 203 G C -2.541 172.521 174.900 0.270 0.000 1.444 203 G CA -0.912 44.322 45.100 0.222 0.000 1.002 203 G HN -0.206 nan 8.290 nan 0.000 0.649 204 P HA -0.020 nan 4.420 nan 0.000 0.219 204 P C 1.544 178.938 177.300 0.157 0.000 1.146 204 P CA 1.836 65.009 63.100 0.122 0.000 0.808 204 P CB 0.053 31.790 31.700 0.062 0.000 0.779 205 G N -2.086 106.793 108.800 0.131 0.000 3.233 205 G HA2 0.218 4.178 3.960 0.001 0.000 0.227 205 G HA3 0.218 4.178 3.960 0.001 0.000 0.227 205 G C -0.142 174.644 174.900 -0.189 0.000 1.175 205 G CA -0.137 44.982 45.100 0.032 0.000 0.781 205 G HN 0.139 nan 8.290 nan 0.000 0.542 206 F N -0.817 119.135 119.950 0.003 0.000 2.561 206 F HA 0.665 5.192 4.527 0.001 0.000 0.321 206 F C 0.281 175.789 175.800 -0.486 0.000 1.065 206 F CA -0.832 57.006 58.000 -0.270 0.000 0.934 206 F CB 2.583 41.412 39.000 -0.286 0.000 1.215 206 F HN -0.168 nan 8.300 nan 0.000 0.471 207 T N 0.564 114.837 114.554 -0.468 0.000 2.893 207 T HA 0.428 4.779 4.350 0.001 0.000 0.291 207 T C 0.430 174.923 174.700 -0.345 0.000 1.028 207 T CA -0.594 61.128 62.100 -0.630 0.000 0.995 207 T CB 1.245 69.443 68.868 -1.116 0.000 1.051 207 T HN 0.706 nan 8.240 nan 0.000 0.470 208 R N 1.756 122.088 120.500 -0.280 0.000 2.334 208 R HA 0.250 4.591 4.340 0.001 0.000 0.216 208 R C 1.240 177.403 176.300 -0.229 0.000 0.905 208 R CA -0.080 55.892 56.100 -0.214 0.000 1.064 208 R CB 0.508 30.707 30.300 -0.167 0.000 1.046 208 R HN 0.575 nan 8.270 nan 0.000 0.508 209 G N 1.068 109.688 108.800 -0.301 0.000 3.343 209 G HA2 0.166 4.126 3.960 0.001 0.000 0.279 209 G HA3 0.166 4.126 3.960 0.001 0.000 0.279 209 G C 0.711 175.367 174.900 -0.407 0.000 0.919 209 G CA -0.401 44.516 45.100 -0.305 0.000 1.812 209 G HN 0.148 nan 8.290 nan 0.000 0.584 210 L N 1.283 122.348 121.223 -0.263 0.000 2.362 210 L HA -0.009 4.331 4.340 0.001 0.000 0.219 210 L C 2.754 179.577 176.870 -0.079 0.000 1.134 210 L CA 0.869 55.603 54.840 -0.177 0.000 0.807 210 L CB 0.045 42.053 42.059 -0.086 0.000 0.927 210 L HN 0.516 nan 8.230 nan 0.000 0.447 211 G N -2.134 106.602 108.800 -0.108 0.000 2.471 211 G HA2 -0.195 3.765 3.960 0.001 0.000 0.219 211 G HA3 -0.195 3.765 3.960 0.001 0.000 0.219 211 G C 0.613 175.529 174.900 0.027 0.000 1.125 211 G CA -0.048 45.034 45.100 -0.030 0.000 0.775 211 G HN 0.561 nan 8.290 nan 0.000 0.548 212 H N -0.193 118.837 119.070 -0.067 0.000 2.557 212 H HA -0.161 4.395 4.556 0.001 0.000 0.319 212 H C 1.165 176.432 175.328 -0.102 0.000 1.102 212 H CA 1.214 57.219 56.048 -0.073 0.000 1.126 212 H CB -1.375 28.342 29.762 -0.075 0.000 1.498 212 H HN 0.802 nan 8.280 nan 0.000 0.411 213 G N -1.804 106.971 108.800 -0.041 0.000 2.360 213 G HA2 0.193 4.153 3.960 0.001 0.000 0.276 213 G HA3 0.193 4.153 3.960 0.001 0.000 0.276 213 G C -0.858 174.048 174.900 0.010 0.000 1.256 213 G CA -0.293 44.747 45.100 -0.100 0.000 0.890 213 G HN 0.169 nan 8.290 nan 0.000 0.486 214 V N 2.424 122.357 119.914 0.032 0.000 2.287 214 V HA 0.303 4.423 4.120 0.001 0.000 0.246 214 V C 0.356 176.482 176.094 0.055 0.000 1.165 214 V CA 0.954 63.296 62.300 0.070 0.000 1.088 214 V CB 0.273 32.193 31.823 0.162 0.000 1.242 214 V HN 0.775 nan 8.190 nan 0.000 0.497 215 D N 3.174 123.586 120.400 0.020 0.000 2.469 215 D HA 0.070 4.710 4.640 0.001 0.000 0.213 215 D C 0.923 177.290 176.300 0.111 0.000 1.135 215 D CA -0.358 53.677 54.000 0.057 0.000 0.834 215 D CB 0.073 40.893 40.800 0.034 0.000 1.009 215 D HN 0.323 nan 8.370 nan 0.000 0.507 216 L N 0.791 122.072 121.223 0.096 0.000 4.001 216 L HA -0.357 3.984 4.340 0.001 0.000 0.413 216 L C 0.889 177.899 176.870 0.234 0.000 1.185 216 L CA 0.724 55.697 54.840 0.223 0.000 0.963 216 L CB -2.512 39.630 42.059 0.138 0.000 1.976 216 L HN 0.288 nan 8.230 nan 0.000 0.939 217 N N 0.301 119.081 118.700 0.134 0.000 2.417 217 N HA -0.222 4.519 4.740 0.001 0.000 0.187 217 N C 1.643 177.150 175.510 -0.006 0.000 1.027 217 N CA 1.923 55.011 53.050 0.062 0.000 0.891 217 N CB -0.319 38.150 38.487 -0.030 0.000 0.956 217 N HN 0.742 nan 8.380 nan 0.000 0.442 218 H N -1.156 117.739 119.070 -0.291 0.000 2.556 218 H HA 0.180 4.736 4.556 0.001 0.000 0.268 218 H C 1.261 176.388 175.328 -0.335 0.000 0.996 218 H CA 0.370 56.164 56.048 -0.423 0.000 1.157 218 H CB -0.299 29.178 29.762 -0.475 0.000 1.355 218 H HN 0.434 nan 8.280 nan 0.000 0.597 219 I N -1.180 119.093 120.570 -0.495 0.000 3.718 219 I HA -0.016 4.155 4.170 0.001 0.000 0.297 219 I C 0.961 176.795 176.117 -0.472 0.000 1.220 219 I CA 0.122 61.060 61.300 -0.602 0.000 1.381 219 I CB 0.271 37.689 38.000 -0.970 0.000 1.238 219 I HN -0.031 nan 8.210 nan 0.000 0.448 220 Y N 1.223 121.483 120.300 -0.068 0.000 2.442 220 Y HA 0.510 5.060 4.550 0.001 0.000 0.250 220 Y C 1.119 177.016 175.900 -0.004 0.000 1.113 220 Y CA -0.111 57.994 58.100 0.008 0.000 1.273 220 Y CB 0.283 38.791 38.460 0.080 0.000 1.138 220 Y HN 0.087 nan 8.280 nan 0.000 0.522 221 G N 0.640 109.482 108.800 0.070 0.000 2.719 221 G HA2 -0.187 3.773 3.960 0.001 0.000 0.686 221 G HA3 -0.187 3.773 3.960 0.001 0.000 0.686 221 G C 0.314 175.218 174.900 0.007 0.000 1.201 221 G CA -0.362 44.742 45.100 0.006 0.000 0.768 221 G HN 0.022 nan 8.290 nan 0.000 0.629 222 E N -0.411 119.763 120.200 -0.043 0.000 2.077 222 E HA -0.037 4.313 4.350 0.001 0.000 0.193 222 E C 1.975 178.551 176.600 -0.040 0.000 0.989 222 E CA 2.033 58.402 56.400 -0.052 0.000 0.800 222 E CB -0.168 29.483 29.700 -0.081 0.000 0.746 222 E HN 1.081 nan 8.360 nan 0.000 0.452 223 T N -2.366 112.160 114.554 -0.046 0.000 2.940 223 T HA 0.322 4.672 4.350 0.001 0.000 0.288 223 T C 1.272 175.922 174.700 -0.083 0.000 1.033 223 T CA -0.775 61.290 62.100 -0.060 0.000 1.033 223 T CB 1.493 70.324 68.868 -0.062 0.000 1.079 223 T HN -0.061 nan 8.240 nan 0.000 0.496 224 L N 0.404 121.547 121.223 -0.132 0.000 2.131 224 L HA -0.091 4.249 4.340 0.001 0.000 0.210 224 L C 2.246 178.911 176.870 -0.341 0.000 1.092 224 L CA 1.803 56.474 54.840 -0.283 0.000 0.759 224 L CB -0.471 41.401 42.059 -0.312 0.000 0.903 224 L HN 0.862 nan 8.230 nan 0.000 0.435 225 D N -0.166 120.131 120.400 -0.172 0.000 2.104 225 D HA -0.252 4.388 4.640 0.001 0.000 0.194 225 D C 2.211 178.499 176.300 -0.020 0.000 0.994 225 D CA 1.246 55.198 54.000 -0.081 0.000 0.830 225 D CB 0.116 40.888 40.800 -0.046 0.000 0.959 225 D HN 0.261 nan 8.370 nan 0.000 0.452 226 R N 0.518 121.000 120.500 -0.029 0.000 2.062 226 R HA -0.089 4.251 4.340 0.001 0.000 0.229 226 R C 2.380 178.695 176.300 0.025 0.000 1.128 226 R CA 1.139 57.239 56.100 -0.001 0.000 0.960 226 R CB -0.186 30.102 30.300 -0.019 0.000 0.855 226 R HN 0.151 nan 8.270 nan 0.000 0.432 227 Q N -0.169 119.636 119.800 0.009 0.000 2.112 227 Q HA -0.251 4.089 4.340 0.001 0.000 0.206 227 Q C 1.592 177.635 176.000 0.072 0.000 0.987 227 Q CA 2.000 57.830 55.803 0.045 0.000 0.858 227 Q CB -0.150 28.603 28.738 0.025 0.000 0.905 227 Q HN 0.671 nan 8.270 nan 0.000 0.420 228 H N -0.676 118.378 119.070 -0.028 0.000 2.428 228 H HA -0.019 4.538 4.556 0.001 0.000 0.296 228 H C 1.945 177.326 175.328 0.087 0.000 1.062 228 H CA 0.836 56.916 56.048 0.053 0.000 1.350 228 H CB 0.340 30.216 29.762 0.191 0.000 1.403 228 H HN 0.203 nan 8.280 nan 0.000 0.533 229 K N 0.597 121.102 120.400 0.174 0.000 2.211 229 K HA -0.051 4.270 4.320 0.001 0.000 0.203 229 K C 1.765 178.405 176.600 0.068 0.000 1.050 229 K CA 0.565 56.921 56.287 0.115 0.000 0.945 229 K CB 0.201 32.747 32.500 0.077 0.000 0.732 229 K HN 0.261 nan 8.250 nan 0.000 0.451 230 L N 0.420 121.666 121.223 0.038 0.000 2.492 230 L HA 0.002 4.342 4.340 0.001 0.000 0.223 230 L C 0.753 177.606 176.870 -0.029 0.000 1.132 230 L CA 0.271 55.124 54.840 0.022 0.000 0.850 230 L CB 0.064 42.145 42.059 0.037 0.000 0.966 230 L HN 0.048 nan 8.230 nan 0.000 0.454 231 R N -0.617 119.789 120.500 -0.158 0.000 2.598 231 R HA 0.203 4.544 4.340 0.001 0.000 0.279 231 R C 0.505 176.625 176.300 -0.300 0.000 0.984 231 R CA -0.573 55.302 56.100 -0.375 0.000 0.999 231 R CB 1.690 31.424 30.300 -0.943 0.000 1.114 231 R HN -0.128 nan 8.270 nan 0.000 0.493 232 L N 1.620 122.719 121.223 -0.207 0.000 2.416 232 L HA 0.227 4.567 4.340 0.001 0.000 0.216 232 L C 0.162 177.085 176.870 0.087 0.000 1.098 232 L CA 1.019 55.856 54.840 -0.005 0.000 0.840 232 L CB -0.081 42.025 42.059 0.079 0.000 0.981 232 L HN 0.826 nan 8.230 nan 0.000 0.462 233 F N -0.581 119.361 119.950 -0.013 0.000 3.006 233 F HA -0.319 4.208 4.527 0.001 0.000 0.289 233 F C 0.411 176.216 175.800 0.009 0.000 0.772 233 F CA 0.871 58.846 58.000 -0.042 0.000 1.162 233 F CB -1.581 37.365 39.000 -0.090 0.000 1.382 233 F HN 0.115 nan 8.300 nan 0.000 0.406 234 K N 0.333 120.830 120.400 0.162 0.000 2.397 234 K HA 0.354 4.674 4.320 0.001 0.000 0.253 234 K C 0.103 176.793 176.600 0.150 0.000 0.932 234 K CA -0.713 55.662 56.287 0.146 0.000 0.795 234 K CB 1.626 34.202 32.500 0.126 0.000 1.159 234 K HN -0.001 nan 8.250 nan 0.000 0.424 235 D N 1.195 121.688 120.400 0.155 0.000 3.077 235 D HA -0.188 4.453 4.640 0.001 0.000 0.217 235 D C 0.702 177.121 176.300 0.197 0.000 1.162 235 D CA 1.794 55.894 54.000 0.167 0.000 0.943 235 D CB -1.109 39.779 40.800 0.147 0.000 1.122 235 D HN 1.101 nan 8.370 nan 0.000 0.413 236 G N -0.134 108.794 108.800 0.214 0.000 2.143 236 G HA2 -0.373 3.587 3.960 0.001 0.000 0.248 236 G HA3 -0.373 3.587 3.960 0.001 0.000 0.248 236 G C 0.268 175.458 174.900 0.483 0.000 0.991 236 G CA 0.868 46.161 45.100 0.322 0.000 0.689 236 G HN 0.485 nan 8.290 nan 0.000 0.522 237 K N -0.750 119.852 120.400 0.336 0.000 2.098 237 K HA 0.626 4.946 4.320 0.001 0.000 0.257 237 K C 0.168 176.955 176.600 0.311 0.000 0.999 237 K CA -0.988 55.542 56.287 0.404 0.000 0.924 237 K CB 0.821 33.501 32.500 0.300 0.000 1.028 237 K HN 0.004 nan 8.250 nan 0.000 0.466 238 L N 2.502 123.923 121.223 0.330 0.000 2.326 238 L HA 0.211 4.551 4.340 0.001 0.000 0.278 238 L C 0.272 177.291 176.870 0.247 0.000 1.092 238 L CA -0.001 54.952 54.840 0.187 0.000 0.810 238 L CB 0.782 42.922 42.059 0.135 0.000 1.153 238 L HN 0.471 nan 8.230 nan 0.000 0.439 239 K N 3.083 123.570 120.400 0.145 0.000 2.508 239 K HA 0.167 4.487 4.320 0.001 0.000 0.273 239 K C -1.040 175.716 176.600 0.261 0.000 0.964 239 K CA 0.854 57.220 56.287 0.132 0.000 0.948 239 K CB 0.260 32.792 32.500 0.055 0.000 0.917 239 K HN 0.596 nan 8.250 nan 0.000 0.512 240 Y N -2.577 117.772 120.300 0.081 0.000 2.713 240 Y HA 0.248 4.798 4.550 0.001 0.000 0.335 240 Y C -1.510 174.451 175.900 0.102 0.000 1.222 240 Y CA -1.399 56.758 58.100 0.094 0.000 1.061 240 Y CB 0.962 39.468 38.460 0.076 0.000 1.314 240 Y HN 0.611 nan 8.280 nan 0.000 0.453 241 Q N 0.965 120.918 119.800 0.256 0.000 2.433 241 Q HA 0.844 5.184 4.340 0.001 0.000 0.279 241 Q C -2.007 174.179 176.000 0.309 0.000 1.105 241 Q CA -1.296 54.608 55.803 0.169 0.000 0.815 241 Q CB 3.049 31.881 28.738 0.157 0.000 1.403 241 Q HN 0.626 nan 8.270 nan 0.000 0.435 242 V N 2.752 122.797 119.914 0.219 0.000 2.417 242 V HA 0.503 4.624 4.120 0.001 0.000 0.291 242 V C -0.428 175.782 176.094 0.192 0.000 1.024 242 V CA -0.532 61.904 62.300 0.227 0.000 0.861 242 V CB 1.146 33.075 31.823 0.177 0.000 0.985 242 V HN 0.674 nan 8.190 nan 0.000 0.436 243 I N 3.374 124.096 120.570 0.253 0.000 2.478 243 I HA 0.526 4.696 4.170 0.001 0.000 0.287 243 I C 1.028 177.250 176.117 0.175 0.000 1.042 243 I CA -0.673 60.734 61.300 0.179 0.000 1.067 243 I CB 1.808 39.882 38.000 0.124 0.000 1.233 243 I HN 0.812 nan 8.210 nan 0.000 0.431 244 G N 4.280 113.140 108.800 0.101 0.000 2.390 244 G HA2 -0.137 3.824 3.960 0.001 0.000 0.299 244 G HA3 -0.137 3.824 3.960 0.001 0.000 0.299 244 G C 1.031 175.983 174.900 0.086 0.000 1.002 244 G CA 0.814 45.962 45.100 0.081 0.000 0.979 244 G HN 1.581 nan 8.290 nan 0.000 0.513 245 G N -1.836 107.015 108.800 0.085 0.000 2.184 245 G HA2 -0.260 3.701 3.960 0.001 0.000 0.264 245 G HA3 -0.260 3.701 3.960 0.001 0.000 0.264 245 G C 0.122 175.053 174.900 0.051 0.000 0.975 245 G CA 0.925 46.063 45.100 0.063 0.000 0.642 245 G HN 0.896 nan 8.290 nan 0.000 0.536 246 E N -0.274 119.976 120.200 0.085 0.000 2.195 246 E HA 0.545 4.896 4.350 0.001 0.000 0.271 246 E C -0.032 176.542 176.600 -0.043 0.000 0.923 246 E CA -0.740 55.650 56.400 -0.017 0.000 0.790 246 E CB 2.380 32.079 29.700 -0.003 0.000 1.155 246 E HN 0.082 nan 8.360 nan 0.000 0.402 247 V N 3.688 123.462 119.914 -0.233 0.000 2.498 247 V HA 0.241 4.361 4.120 0.001 0.000 0.279 247 V C -0.752 175.098 176.094 -0.406 0.000 1.048 247 V CA 0.030 62.231 62.300 -0.164 0.000 0.967 247 V CB -0.115 31.581 31.823 -0.212 0.000 0.988 247 V HN 0.529 nan 8.190 nan 0.000 0.473 248 Y N 4.233 124.563 120.300 0.051 0.000 2.609 248 Y HA 0.477 5.028 4.550 0.001 0.000 0.342 248 Y C -2.359 173.579 175.900 0.063 0.000 1.058 248 Y CA -2.615 55.458 58.100 -0.045 0.000 1.055 248 Y CB 2.222 40.629 38.460 -0.088 0.000 1.292 248 Y HN 0.428 nan 8.280 nan 0.000 0.476 249 P HA 0.009 nan 4.420 nan 0.000 0.268 249 P C -2.491 175.030 177.300 0.368 0.000 1.208 249 P CA -0.670 62.560 63.100 0.217 0.000 0.777 249 P CB -0.012 31.772 31.700 0.140 0.000 0.875 250 P HA 0.055 nan 4.420 nan 0.000 0.282 250 P C -0.339 177.082 177.300 0.202 0.000 1.286 250 P CA 0.074 63.295 63.100 0.201 0.000 0.777 250 P CB 0.107 31.880 31.700 0.121 0.000 1.184 251 T N -3.934 110.665 114.554 0.076 0.000 2.944 251 T HA 0.255 4.606 4.350 0.001 0.000 0.284 251 T C 1.377 176.080 174.700 0.004 0.000 1.010 251 T CA -0.723 61.366 62.100 -0.018 0.000 1.025 251 T CB 0.355 69.160 68.868 -0.106 0.000 1.079 251 T HN 0.040 nan 8.240 nan 0.000 0.516 252 V N 1.483 121.387 119.914 -0.018 0.000 2.332 252 V HA -0.148 3.973 4.120 0.001 0.000 0.248 252 V C 2.846 178.932 176.094 -0.013 0.000 1.055 252 V CA 2.305 64.610 62.300 0.008 0.000 1.038 252 V CB -0.875 30.957 31.823 0.015 0.000 0.651 252 V HN 1.045 nan 8.190 nan 0.000 0.450 253 K N 0.217 120.591 120.400 -0.044 0.000 2.057 253 K HA -0.279 4.041 4.320 0.001 0.000 0.207 253 K C 1.908 178.494 176.600 -0.022 0.000 1.049 253 K CA 2.236 58.499 56.287 -0.039 0.000 0.931 253 K CB -0.298 32.166 32.500 -0.059 0.000 0.714 253 K HN 0.515 nan 8.250 nan 0.000 0.440 254 D N -0.581 119.808 120.400 -0.018 0.000 2.183 254 D HA -0.107 4.533 4.640 0.001 0.000 0.203 254 D C 1.701 178.008 176.300 0.010 0.000 0.969 254 D CA 1.811 55.807 54.000 -0.006 0.000 0.842 254 D CB 0.171 40.968 40.800 -0.005 0.000 0.957 254 D HN 0.459 nan 8.370 nan 0.000 0.484 255 T N -4.762 109.804 114.554 0.020 0.000 3.018 255 T HA 0.145 4.495 4.350 0.001 0.000 0.246 255 T C 1.047 175.766 174.700 0.031 0.000 1.026 255 T CA 0.438 62.558 62.100 0.034 0.000 1.081 255 T CB 0.235 69.132 68.868 0.047 0.000 0.970 255 T HN 0.014 nan 8.240 nan 0.000 0.475 256 Q N 0.088 119.901 119.800 0.022 0.000 2.342 256 Q HA -0.133 4.207 4.340 0.001 0.000 0.196 256 Q C 0.189 176.202 176.000 0.021 0.000 0.629 256 Q CA 0.825 56.638 55.803 0.018 0.000 1.365 256 Q CB -2.564 26.183 28.738 0.016 0.000 1.406 256 Q HN 0.920 nan 8.270 nan 0.000 0.840 257 V N -0.039 119.892 119.914 0.030 0.000 2.637 257 V HA 0.257 4.377 4.120 0.001 0.000 0.296 257 V C 0.525 176.634 176.094 0.025 0.000 1.046 257 V CA -0.314 62.000 62.300 0.025 0.000 1.066 257 V CB 1.126 32.966 31.823 0.028 0.000 0.968 257 V HN 0.209 nan 8.190 nan 0.000 0.483 258 E N 6.564 126.768 120.200 0.007 0.000 2.344 258 E HA 0.339 4.689 4.350 0.001 0.000 0.270 258 E C -0.451 176.148 176.600 -0.002 0.000 1.021 258 E CA -0.231 56.172 56.400 0.005 0.000 0.887 258 E CB 0.924 30.616 29.700 -0.012 0.000 0.997 258 E HN 0.633 nan 8.360 nan 0.000 0.429 259 M N 2.091 121.703 119.600 0.019 0.000 2.644 259 M HA 0.427 4.907 4.480 0.001 0.000 0.304 259 M C -0.404 175.838 176.300 -0.096 0.000 1.215 259 M CA -0.896 54.381 55.300 -0.037 0.000 0.871 259 M CB 1.751 34.393 32.600 0.070 0.000 1.740 259 M HN 0.427 nan 8.290 nan 0.000 0.464 260 I N 2.044 122.467 120.570 -0.246 0.000 2.291 260 I HA 0.262 4.433 4.170 0.001 0.000 0.290 260 I C -1.364 174.520 176.117 -0.389 0.000 1.050 260 I CA -0.111 61.063 61.300 -0.209 0.000 1.245 260 I CB 0.177 38.101 38.000 -0.127 0.000 1.405 260 I HN 0.464 nan 8.210 nan 0.000 0.478 261 Y N 6.775 127.042 120.300 -0.056 0.000 2.442 261 Y HA 0.432 4.983 4.550 0.001 0.000 0.344 261 Y C -1.973 173.809 175.900 -0.197 0.000 0.976 261 Y CA -2.279 55.752 58.100 -0.115 0.000 1.040 261 Y CB 1.752 40.139 38.460 -0.121 0.000 1.228 261 Y HN 0.417 nan 8.280 nan 0.000 0.451 262 P HA 0.048 nan 4.420 nan 0.000 0.269 262 P C -2.218 174.952 177.300 -0.217 0.000 1.209 262 P CA -1.182 61.761 63.100 -0.261 0.000 0.776 262 P CB 0.793 32.196 31.700 -0.495 0.000 0.876 263 P HA -0.190 nan 4.420 nan 0.000 0.219 263 P C 1.310 178.574 177.300 -0.060 0.000 1.146 263 P CA 1.615 64.679 63.100 -0.060 0.000 0.808 263 P CB -0.504 31.189 31.700 -0.012 0.000 0.779 264 H N -1.486 117.549 119.070 -0.058 0.000 2.556 264 H HA 0.090 4.646 4.556 0.001 0.000 0.268 264 H C 0.441 175.731 175.328 -0.064 0.000 0.996 264 H CA -0.249 55.769 56.048 -0.052 0.000 1.157 264 H CB -0.239 29.500 29.762 -0.038 0.000 1.355 264 H HN 0.026 nan 8.280 nan 0.000 0.597 265 I N 5.069 125.393 120.570 -0.409 0.000 2.452 265 I HA 0.127 4.297 4.170 0.001 0.000 0.287 265 I C -1.994 173.971 176.117 -0.254 0.000 1.079 265 I CA -2.446 58.646 61.300 -0.346 0.000 1.387 265 I CB 0.850 38.599 38.000 -0.418 0.000 1.404 265 I HN 0.101 nan 8.210 nan 0.000 0.522 266 P HA 0.113 nan 4.420 nan 0.000 0.271 266 P C 0.545 177.693 177.300 -0.254 0.000 1.216 266 P CA -0.162 62.829 63.100 -0.181 0.000 0.776 266 P CB 0.946 32.562 31.700 -0.141 0.000 0.881 267 E N 1.739 121.817 120.200 -0.204 0.000 2.233 267 E HA -0.230 4.120 4.350 0.001 0.000 0.199 267 E C 1.530 177.966 176.600 -0.273 0.000 1.004 267 E CA 1.278 57.548 56.400 -0.217 0.000 0.819 267 E CB -0.096 29.518 29.700 -0.143 0.000 0.738 267 E HN 0.567 nan 8.360 nan 0.000 0.478 268 N N 0.256 118.794 118.700 -0.269 0.000 2.461 268 N HA -0.099 4.642 4.740 0.001 0.000 0.188 268 N C 1.299 176.506 175.510 -0.505 0.000 1.134 268 N CA 0.474 53.340 53.050 -0.306 0.000 0.878 268 N CB 0.211 38.573 38.487 -0.208 0.000 0.972 268 N HN 0.239 nan 8.380 nan 0.000 0.456 269 L N -0.176 120.704 121.223 -0.571 0.000 2.766 269 L HA 0.209 4.550 4.340 0.001 0.000 0.242 269 L C 0.213 176.486 176.870 -0.994 0.000 1.136 269 L CA 0.007 54.385 54.840 -0.770 0.000 0.933 269 L CB 0.282 42.076 42.059 -0.442 0.000 1.241 269 L HN 0.005 nan 8.230 nan 0.000 0.522 270 Q N 1.037 120.305 119.800 -0.886 0.000 2.534 270 Q HA 0.190 4.530 4.340 0.001 0.000 0.223 270 Q C -0.875 174.870 176.000 -0.426 0.000 1.239 270 Q CA -0.115 55.108 55.803 -0.967 0.000 0.936 270 Q CB 0.036 28.384 28.738 -0.650 0.000 1.457 270 Q HN 0.136 nan 8.270 nan 0.000 0.547 271 F N 1.104 121.048 119.950 -0.011 0.000 2.443 271 F HA 0.270 4.797 4.527 0.001 0.000 0.353 271 F C 0.782 176.701 175.800 0.199 0.000 1.101 271 F CA -0.677 57.389 58.000 0.110 0.000 1.226 271 F CB 0.762 39.833 39.000 0.119 0.000 1.140 271 F HN 0.369 nan 8.300 nan 0.000 0.557 272 A N 3.853 126.863 122.820 0.317 0.000 2.276 272 A HA 0.756 5.077 4.320 0.001 0.000 0.316 272 A C -0.592 177.088 177.584 0.160 0.000 1.229 272 A CA -0.475 51.683 52.037 0.201 0.000 0.851 272 A CB 0.572 19.650 19.000 0.130 0.000 1.165 272 A HN 0.745 nan 8.150 nan 0.000 0.513 273 V N -0.234 119.739 119.914 0.098 0.000 3.165 273 V HA 0.852 4.973 4.120 0.001 0.000 0.309 273 V C 1.121 177.175 176.094 -0.068 0.000 1.267 273 V CA -0.083 62.239 62.300 0.036 0.000 1.067 273 V CB 0.938 32.814 31.823 0.090 0.000 1.082 273 V HN 1.081 nan 8.190 nan 0.000 0.451 274 G N -0.732 107.987 108.800 -0.135 0.000 2.469 274 G HA2 -0.118 3.843 3.960 0.001 0.000 0.219 274 G HA3 -0.118 3.843 3.960 0.001 0.000 0.219 274 G C 0.700 175.435 174.900 -0.274 0.000 1.150 274 G CA 1.012 46.002 45.100 -0.184 0.000 0.763 274 G HN 0.702 nan 8.290 nan 0.000 0.561 275 Q N 0.309 119.805 119.800 -0.506 0.000 2.325 275 Q HA 0.181 4.521 4.340 0.001 0.000 0.262 275 Q C 1.211 176.908 176.000 -0.505 0.000 0.968 275 Q CA -0.215 55.152 55.803 -0.727 0.000 0.877 275 Q CB 1.699 29.399 28.738 -1.730 0.000 1.253 275 Q HN 0.742 nan 8.270 nan 0.000 0.448 276 E N 1.860 121.883 120.200 -0.294 0.000 2.333 276 E HA -0.121 4.229 4.350 0.001 0.000 0.198 276 E C 0.993 177.498 176.600 -0.159 0.000 1.007 276 E CA 0.712 57.005 56.400 -0.179 0.000 0.845 276 E CB 0.202 29.826 29.700 -0.127 0.000 0.766 276 E HN 0.254 nan 8.360 nan 0.000 0.507 277 V N 0.010 119.853 119.914 -0.118 0.000 3.660 277 V HA 0.021 4.141 4.120 0.001 0.000 0.276 277 V C 0.649 176.855 176.094 0.187 0.000 1.317 277 V CA 0.013 62.328 62.300 0.025 0.000 1.097 277 V CB -0.359 31.530 31.823 0.110 0.000 0.863 277 V HN 0.208 nan 8.190 nan 0.000 0.438 278 F N 1.127 121.036 119.950 -0.069 0.000 2.604 278 F HA 0.178 4.706 4.527 0.001 0.000 0.298 278 F C 2.245 178.018 175.800 -0.046 0.000 1.131 278 F CA 0.680 58.660 58.000 -0.034 0.000 1.457 278 F CB -1.210 37.798 39.000 0.013 0.000 1.095 278 F HN 0.299 nan 8.300 nan 0.000 0.574 279 G N -0.705 108.125 108.800 0.050 0.000 2.744 279 G HA2 -0.069 3.891 3.960 0.001 0.000 0.211 279 G HA3 -0.069 3.891 3.960 0.001 0.000 0.211 279 G C 1.700 176.639 174.900 0.064 0.000 1.143 279 G CA 0.011 45.138 45.100 0.045 0.000 0.788 279 G HN 0.260 nan 8.290 nan 0.000 0.534 280 L N 0.255 121.485 121.223 0.012 0.000 2.341 280 L HA 0.159 4.500 4.340 0.001 0.000 0.214 280 L C 0.112 176.914 176.870 -0.113 0.000 1.115 280 L CA 0.815 55.689 54.840 0.057 0.000 0.820 280 L CB 0.179 42.295 42.059 0.095 0.000 0.944 280 L HN -0.011 nan 8.230 nan 0.000 0.452 281 V N -0.854 118.966 119.914 -0.157 0.000 2.525 281 V HA 0.243 4.363 4.120 0.001 0.000 0.299 281 V C -1.801 174.035 176.094 -0.431 0.000 1.034 281 V CA -1.019 61.075 62.300 -0.344 0.000 0.863 281 V CB 1.636 33.338 31.823 -0.203 0.000 0.999 281 V HN -0.129 nan 8.190 nan 0.000 0.423 282 P HA -0.089 nan 4.420 nan 0.000 0.219 282 P C 1.619 178.695 177.300 -0.374 0.000 1.146 282 P CA 1.520 64.317 63.100 -0.503 0.000 0.808 282 P CB 0.302 31.633 31.700 -0.616 0.000 0.779 283 G N -0.438 107.980 108.800 -0.636 0.000 2.418 283 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 283 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 283 G C 1.325 175.946 174.900 -0.465 0.000 1.158 283 G CA 0.528 45.017 45.100 -1.018 0.000 0.771 283 G HN 0.146 nan 8.290 nan 0.000 0.545 284 L N -0.257 120.739 121.223 -0.377 0.000 2.027 284 L HA 0.139 4.479 4.340 0.001 0.000 0.206 284 L C 2.750 179.501 176.870 -0.199 0.000 1.074 284 L CA 1.505 56.171 54.840 -0.289 0.000 0.745 284 L CB -0.826 40.969 42.059 -0.440 0.000 0.898 284 L HN 0.206 nan 8.230 nan 0.000 0.433 285 M N -1.417 118.073 119.600 -0.183 0.000 2.213 285 M HA -0.214 4.266 4.480 0.001 0.000 0.263 285 M C 2.182 178.350 176.300 -0.221 0.000 1.062 285 M CA 1.484 56.699 55.300 -0.141 0.000 1.105 285 M CB -0.440 32.063 32.600 -0.161 0.000 1.385 285 M HN 0.282 nan 8.290 nan 0.000 0.417 286 M N -1.350 118.076 119.600 -0.290 0.000 2.065 286 M HA -0.289 4.192 4.480 0.001 0.000 0.259 286 M C 1.751 177.862 176.300 -0.315 0.000 1.071 286 M CA 2.041 57.136 55.300 -0.342 0.000 1.109 286 M CB -0.450 31.971 32.600 -0.299 0.000 1.313 286 M HN 0.271 nan 8.290 nan 0.000 0.408 287 Y N 0.300 120.439 120.300 -0.269 0.000 2.242 287 Y HA -0.084 4.466 4.550 0.001 0.000 0.291 287 Y C 2.643 178.363 175.900 -0.300 0.000 1.137 287 Y CA 1.478 59.342 58.100 -0.393 0.000 1.181 287 Y CB -1.033 36.960 38.460 -0.779 0.000 0.989 287 Y HN 0.415 nan 8.280 nan 0.000 0.527 288 A N -0.691 122.105 122.820 -0.040 0.000 1.908 288 A HA -0.218 4.103 4.320 0.001 0.000 0.218 288 A C 2.302 179.924 177.584 0.063 0.000 1.181 288 A CA 2.407 54.552 52.037 0.180 0.000 0.627 288 A CB -1.156 17.996 19.000 0.253 0.000 0.818 288 A HN 0.413 nan 8.150 nan 0.000 0.445 289 T N 0.077 114.593 114.554 -0.063 0.000 2.812 289 T HA -0.012 4.338 4.350 0.001 0.000 0.264 289 T C 1.810 176.431 174.700 -0.132 0.000 1.042 289 T CA 1.285 63.309 62.100 -0.127 0.000 1.140 289 T CB -0.358 68.371 68.868 -0.230 0.000 0.870 289 T HN 0.417 nan 8.240 nan 0.000 0.445 290 I N -0.626 119.844 120.570 -0.166 0.000 2.208 290 I HA -0.211 3.959 4.170 0.001 0.000 0.245 290 I C 2.179 178.203 176.117 -0.156 0.000 1.097 290 I CA 1.584 62.753 61.300 -0.219 0.000 1.363 290 I CB -0.274 37.541 38.000 -0.308 0.000 1.051 290 I HN 0.356 nan 8.210 nan 0.000 0.413 291 W N 0.400 121.678 121.300 -0.037 0.000 2.476 291 W HA -0.052 4.609 4.660 0.001 0.000 0.281 291 W C 2.441 178.947 176.519 -0.022 0.000 1.230 291 W CA 0.299 57.638 57.345 -0.011 0.000 1.287 291 W CB -0.186 29.260 29.460 -0.022 0.000 1.108 291 W HN 0.074 nan 8.180 nan 0.000 0.567 292 L N 0.741 122.062 121.223 0.163 0.000 2.012 292 L HA -0.257 4.083 4.340 0.001 0.000 0.210 292 L C 2.523 179.443 176.870 0.084 0.000 1.073 292 L CA 1.774 56.672 54.840 0.097 0.000 0.748 292 L CB -0.317 41.770 42.059 0.046 0.000 0.891 292 L HN -0.091 nan 8.230 nan 0.000 0.431 293 R N -0.302 120.191 120.500 -0.012 0.000 2.091 293 R HA -0.240 4.100 4.340 0.001 0.000 0.238 293 R C 2.211 178.505 176.300 -0.010 0.000 1.136 293 R CA 1.690 57.747 56.100 -0.072 0.000 0.959 293 R CB -0.342 29.870 30.300 -0.147 0.000 0.856 293 R HN 0.387 nan 8.270 nan 0.000 0.437 294 E N -0.260 119.956 120.200 0.027 0.000 2.085 294 E HA -0.257 4.094 4.350 0.001 0.000 0.194 294 E C 1.738 178.429 176.600 0.152 0.000 0.994 294 E CA 1.957 58.395 56.400 0.063 0.000 0.801 294 E CB -0.237 29.500 29.700 0.062 0.000 0.743 294 E HN 0.515 nan 8.360 nan 0.000 0.453 295 H N -0.231 118.936 119.070 0.161 0.000 2.321 295 H HA -0.044 4.513 4.556 0.001 0.000 0.300 295 H C 1.610 177.022 175.328 0.141 0.000 1.087 295 H CA 2.232 58.395 56.048 0.193 0.000 1.319 295 H CB -0.152 29.756 29.762 0.244 0.000 1.379 295 H HN 0.142 nan 8.280 nan 0.000 0.501 296 N N 0.247 119.040 118.700 0.157 0.000 2.309 296 N HA -0.118 4.622 4.740 0.001 0.000 0.182 296 N C 1.969 177.469 175.510 -0.016 0.000 1.018 296 N CA 0.847 53.937 53.050 0.067 0.000 0.876 296 N CB -0.340 38.168 38.487 0.035 0.000 0.972 296 N HN 0.420 nan 8.380 nan 0.000 0.434 297 R N 0.783 121.271 120.500 -0.020 0.000 2.070 297 R HA -0.038 4.303 4.340 0.001 0.000 0.233 297 R C 1.655 177.946 176.300 -0.016 0.000 1.137 297 R CA 1.129 57.214 56.100 -0.025 0.000 0.945 297 R CB -0.276 30.008 30.300 -0.027 0.000 0.845 297 R HN -0.021 nan 8.270 nan 0.000 0.430 298 V N 0.398 120.300 119.914 -0.020 0.000 2.490 298 V HA -0.307 3.813 4.120 0.001 0.000 0.250 298 V C 2.518 178.604 176.094 -0.014 0.000 1.061 298 V CA 1.553 63.850 62.300 -0.005 0.000 1.064 298 V CB -0.484 31.349 31.823 0.016 0.000 0.670 298 V HN 0.535 nan 8.190 nan 0.000 0.461 299 C N 0.047 119.304 119.300 -0.071 0.000 2.429 299 C HA -0.161 4.299 4.460 0.001 0.000 0.277 299 C C 2.523 177.542 174.990 0.048 0.000 1.262 299 C CA 0.997 60.012 59.018 -0.006 0.000 1.733 299 C CB -1.000 26.740 27.740 -0.000 0.000 2.010 299 C HN 0.604 nan 8.230 nan 0.000 0.483 300 D N 0.664 121.081 120.400 0.028 0.000 2.144 300 D HA -0.071 4.569 4.640 0.001 0.000 0.199 300 D C 1.917 178.233 176.300 0.026 0.000 0.984 300 D CA 1.135 55.153 54.000 0.031 0.000 0.834 300 D CB -0.354 40.455 40.800 0.015 0.000 0.955 300 D HN 0.476 nan 8.370 nan 0.000 0.465 301 I N 0.533 121.116 120.570 0.022 0.000 2.202 301 I HA -0.223 3.948 4.170 0.001 0.000 0.242 301 I C 2.447 178.578 176.117 0.023 0.000 1.091 301 I CA 0.680 61.989 61.300 0.016 0.000 1.368 301 I CB -0.085 37.928 38.000 0.022 0.000 1.058 301 I HN -0.038 nan 8.210 nan 0.000 0.410 302 L N 0.485 121.749 121.223 0.069 0.000 2.093 302 L HA -0.217 4.124 4.340 0.001 0.000 0.208 302 L C 2.604 179.525 176.870 0.085 0.000 1.085 302 L CA 1.285 56.197 54.840 0.119 0.000 0.755 302 L CB -0.489 41.713 42.059 0.238 0.000 0.904 302 L HN 0.234 nan 8.230 nan 0.000 0.435 303 K N 0.165 120.621 120.400 0.094 0.000 2.057 303 K HA -0.279 4.042 4.320 0.001 0.000 0.207 303 K C 2.177 178.776 176.600 -0.003 0.000 1.049 303 K CA 1.621 57.957 56.287 0.082 0.000 0.931 303 K CB 0.013 32.569 32.500 0.093 0.000 0.714 303 K HN 0.089 nan 8.250 nan 0.000 0.440 304 Q N 0.824 120.610 119.800 -0.023 0.000 2.096 304 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 304 Q C 1.592 177.506 176.000 -0.143 0.000 0.982 304 Q CA 1.899 57.666 55.803 -0.060 0.000 0.850 304 Q CB 0.084 28.795 28.738 -0.045 0.000 0.901 304 Q HN 0.303 nan 8.270 nan 0.000 0.422 305 E N -0.735 119.333 120.200 -0.220 0.000 2.216 305 E HA -0.058 4.293 4.350 0.001 0.000 0.192 305 E C 0.092 176.211 176.600 -0.801 0.000 0.988 305 E CA 0.696 56.810 56.400 -0.477 0.000 0.834 305 E CB 0.284 29.666 29.700 -0.530 0.000 0.772 305 E HN 0.471 nan 8.360 nan 0.000 0.479 306 H N -0.049 118.804 119.070 -0.362 0.000 2.429 306 H HA 0.164 4.721 4.556 0.001 0.000 0.231 306 H C -1.864 173.330 175.328 -0.223 0.000 1.416 306 H CA -1.515 54.212 56.048 -0.534 0.000 1.443 306 H CB 1.213 30.157 29.762 -1.364 0.000 1.591 306 H HN -0.011 nan 8.280 nan 0.000 0.507 307 P HA -0.118 nan 4.420 nan 0.000 0.225 307 P C 0.718 178.073 177.300 0.092 0.000 1.148 307 P CA 0.915 64.033 63.100 0.029 0.000 0.779 307 P CB 0.435 32.135 31.700 0.000 0.000 0.780 308 E N -2.169 118.094 120.200 0.105 0.000 2.427 308 E HA -0.062 4.288 4.350 0.001 0.000 0.196 308 E C 0.385 177.193 176.600 0.347 0.000 1.028 308 E CA 0.316 56.830 56.400 0.189 0.000 0.864 308 E CB -0.620 29.198 29.700 0.198 0.000 0.813 308 E HN 0.252 nan 8.360 nan 0.000 0.514 309 W N 1.567 122.918 121.300 0.084 0.000 2.313 309 W HA 0.599 5.259 4.660 0.001 0.000 0.328 309 W C 1.071 177.626 176.519 0.060 0.000 1.197 309 W CA -1.175 56.204 57.345 0.056 0.000 1.235 309 W CB 0.761 30.250 29.460 0.049 0.000 1.158 309 W HN -0.018 nan 8.180 nan 0.000 0.578 310 G N 0.909 109.823 108.800 0.190 0.000 2.535 310 G HA2 0.094 4.054 3.960 0.001 0.000 0.303 310 G HA3 0.094 4.054 3.960 0.001 0.000 0.303 310 G C 0.363 175.339 174.900 0.127 0.000 1.237 310 G CA -0.181 44.994 45.100 0.126 0.000 0.986 310 G HN 0.480 nan 8.290 nan 0.000 0.494 311 D N -1.010 119.466 120.400 0.127 0.000 2.123 311 D HA -0.155 4.485 4.640 0.001 0.000 0.196 311 D C 2.039 178.424 176.300 0.141 0.000 0.992 311 D CA 1.491 55.580 54.000 0.148 0.000 0.833 311 D CB 0.168 41.065 40.800 0.162 0.000 0.954 311 D HN 0.299 nan 8.370 nan 0.000 0.455 312 E N 0.134 120.392 120.200 0.097 0.000 2.038 312 E HA -0.234 4.116 4.350 0.001 0.000 0.195 312 E C 2.047 178.686 176.600 0.066 0.000 1.000 312 E CA 1.021 57.478 56.400 0.095 0.000 0.803 312 E CB -0.466 29.263 29.700 0.047 0.000 0.750 312 E HN 0.551 nan 8.360 nan 0.000 0.448 313 Q N 0.168 119.909 119.800 -0.099 0.000 2.119 313 Q HA -0.095 4.246 4.340 0.001 0.000 0.201 313 Q C 2.458 178.320 176.000 -0.230 0.000 0.972 313 Q CA 0.876 56.471 55.803 -0.347 0.000 0.847 313 Q CB -0.060 28.191 28.738 -0.812 0.000 0.903 313 Q HN 0.216 nan 8.270 nan 0.000 0.433 314 L N -0.153 121.088 121.223 0.030 0.000 2.046 314 L HA -0.172 4.169 4.340 0.001 0.000 0.208 314 L C 2.340 179.315 176.870 0.175 0.000 1.077 314 L CA 1.360 56.336 54.840 0.226 0.000 0.747 314 L CB -0.502 41.725 42.059 0.281 0.000 0.896 314 L HN 0.340 nan 8.230 nan 0.000 0.432 315 F N 0.354 120.345 119.950 0.069 0.000 2.113 315 F HA -0.226 4.302 4.527 0.001 0.000 0.297 315 F C 2.686 178.529 175.800 0.070 0.000 1.103 315 F CA 1.474 59.545 58.000 0.118 0.000 1.248 315 F CB -0.170 38.863 39.000 0.055 0.000 0.999 315 F HN 0.030 nan 8.300 nan 0.000 0.475 316 Q N 0.041 119.810 119.800 -0.052 0.000 2.079 316 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 316 Q C 2.242 178.150 176.000 -0.154 0.000 0.974 316 Q CA 2.086 57.783 55.803 -0.178 0.000 0.840 316 Q CB -1.066 27.664 28.738 -0.014 0.000 0.898 316 Q HN 0.421 nan 8.270 nan 0.000 0.430 317 T N 1.123 115.634 114.554 -0.070 0.000 2.708 317 T HA -0.089 4.262 4.350 0.001 0.000 0.266 317 T C 2.186 176.943 174.700 0.096 0.000 1.037 317 T CA 1.476 63.606 62.100 0.049 0.000 1.146 317 T CB -0.187 68.762 68.868 0.136 0.000 0.865 317 T HN 0.207 nan 8.240 nan 0.000 0.435 318 S N 1.032 116.745 115.700 0.022 0.000 2.370 318 S HA -0.158 4.312 4.470 0.001 0.000 0.226 318 S C 2.076 176.712 174.600 0.060 0.000 1.033 318 S CA 1.295 59.496 58.200 0.001 0.000 1.011 318 S CB -0.309 62.740 63.200 -0.252 0.000 0.852 318 S HN 0.455 nan 8.310 nan 0.000 0.457 319 R N 0.994 121.419 120.500 -0.126 0.000 2.091 319 R HA -0.027 4.314 4.340 0.001 0.000 0.238 319 R C 2.200 178.541 176.300 0.068 0.000 1.136 319 R CA 1.164 57.167 56.100 -0.162 0.000 0.959 319 R CB -0.405 29.453 30.300 -0.735 0.000 0.856 319 R HN 0.357 nan 8.270 nan 0.000 0.437 320 L N 0.444 121.736 121.223 0.114 0.000 2.079 320 L HA -0.212 4.129 4.340 0.001 0.000 0.210 320 L C 2.473 179.586 176.870 0.406 0.000 1.081 320 L CA 1.328 56.355 54.840 0.312 0.000 0.752 320 L CB -0.348 41.937 42.059 0.378 0.000 0.896 320 L HN 0.327 nan 8.230 nan 0.000 0.433 321 I N -0.678 120.091 120.570 0.333 0.000 2.202 321 I HA -0.306 3.865 4.170 0.001 0.000 0.242 321 I C 2.297 178.543 176.117 0.214 0.000 1.091 321 I CA 1.115 62.545 61.300 0.217 0.000 1.368 321 I CB -0.090 38.029 38.000 0.198 0.000 1.058 321 I HN 0.200 nan 8.210 nan 0.000 0.410 322 L N 0.223 121.600 121.223 0.256 0.000 2.201 322 L HA -0.143 4.198 4.340 0.001 0.000 0.212 322 L C 2.240 179.217 176.870 0.179 0.000 1.105 322 L CA 1.618 56.633 54.840 0.290 0.000 0.775 322 L CB -0.520 41.748 42.059 0.348 0.000 0.913 322 L HN 0.161 nan 8.230 nan 0.000 0.440 323 I N -0.985 119.700 120.570 0.192 0.000 2.179 323 I HA -0.226 3.944 4.170 0.001 0.000 0.242 323 I C 2.518 178.744 176.117 0.183 0.000 1.088 323 I CA 1.434 62.834 61.300 0.167 0.000 1.357 323 I CB -0.934 37.188 38.000 0.204 0.000 1.051 323 I HN 0.326 nan 8.210 nan 0.000 0.409 324 G N 0.318 109.262 108.800 0.240 0.000 2.421 324 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 324 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 324 G C 1.509 176.533 174.900 0.206 0.000 1.171 324 G CA 0.649 45.914 45.100 0.276 0.000 0.775 324 G HN 0.405 nan 8.290 nan 0.000 0.543 325 E N -0.125 120.207 120.200 0.219 0.000 2.058 325 E HA -0.132 4.219 4.350 0.001 0.000 0.194 325 E C 2.788 179.548 176.600 0.266 0.000 0.997 325 E CA 1.565 58.124 56.400 0.265 0.000 0.801 325 E CB -0.343 29.588 29.700 0.385 0.000 0.746 325 E HN 0.346 nan 8.360 nan 0.000 0.450 326 T N 1.511 116.209 114.554 0.240 0.000 2.720 326 T HA -0.144 4.207 4.350 0.001 0.000 0.268 326 T C 1.998 176.711 174.700 0.021 0.000 1.037 326 T CA 1.005 63.210 62.100 0.175 0.000 1.144 326 T CB -0.197 68.651 68.868 -0.033 0.000 0.864 326 T HN 0.123 nan 8.240 nan 0.000 0.444 327 I N 0.717 121.225 120.570 -0.103 0.000 2.315 327 I HA -0.154 4.017 4.170 0.001 0.000 0.248 327 I C 2.545 178.308 176.117 -0.590 0.000 1.117 327 I CA 1.095 62.167 61.300 -0.381 0.000 1.404 327 I CB -0.278 37.364 38.000 -0.595 0.000 1.071 327 I HN 0.143 nan 8.210 nan 0.000 0.419 328 K N 1.937 122.053 120.400 -0.473 0.000 2.002 328 K HA -0.143 4.177 4.320 0.001 0.000 0.209 328 K C 1.889 178.477 176.600 -0.020 0.000 1.048 328 K CA 1.795 57.982 56.287 -0.166 0.000 0.930 328 K CB -0.385 32.201 32.500 0.142 0.000 0.714 328 K HN 0.234 nan 8.250 nan 0.000 0.438 329 I N 0.128 120.725 120.570 0.045 0.000 2.286 329 I HA -0.234 3.936 4.170 0.001 0.000 0.248 329 I C 2.048 178.199 176.117 0.057 0.000 1.115 329 I CA 0.835 62.185 61.300 0.083 0.000 1.392 329 I CB -0.167 37.942 38.000 0.183 0.000 1.065 329 I HN -0.009 nan 8.210 nan 0.000 0.418 330 V N 1.101 120.997 119.914 -0.031 0.000 2.358 330 V HA -0.261 3.860 4.120 0.001 0.000 0.246 330 V C 2.250 178.399 176.094 0.091 0.000 1.047 330 V CA 1.846 64.093 62.300 -0.089 0.000 1.035 330 V CB -0.281 31.316 31.823 -0.378 0.000 0.658 330 V HN 0.324 nan 8.190 nan 0.000 0.452 331 I N -0.580 120.005 120.570 0.024 0.000 2.333 331 I HA -0.143 4.027 4.170 0.001 0.000 0.246 331 I C 2.375 178.553 176.117 0.101 0.000 1.106 331 I CA 1.443 62.791 61.300 0.080 0.000 1.411 331 I CB -0.182 37.851 38.000 0.055 0.000 1.082 331 I HN 0.320 nan 8.210 nan 0.000 0.420 332 E N -0.037 120.215 120.200 0.087 0.000 2.400 332 E HA -0.078 4.272 4.350 0.001 0.000 0.195 332 E C 0.966 177.614 176.600 0.081 0.000 1.012 332 E CA 0.436 56.879 56.400 0.071 0.000 0.875 332 E CB 0.378 30.118 29.700 0.066 0.000 0.859 332 E HN 0.448 nan 8.360 nan 0.000 0.498 333 D N -0.722 119.763 120.400 0.141 0.000 2.856 333 D HA -0.043 4.597 4.640 0.001 0.000 0.283 333 D C 1.462 178.026 176.300 0.440 0.000 1.051 333 D CA 0.258 54.383 54.000 0.207 0.000 0.965 333 D CB -0.190 40.669 40.800 0.098 0.000 1.201 333 D HN 0.046 nan 8.370 nan 0.000 0.474 334 Y N 2.489 122.964 120.300 0.292 0.000 2.109 334 Y HA -0.178 4.373 4.550 0.001 0.000 0.281 334 Y C 2.276 178.290 175.900 0.191 0.000 1.113 334 Y CA 1.500 59.676 58.100 0.126 0.000 1.098 334 Y CB -0.504 37.855 38.460 -0.167 0.000 0.996 334 Y HN -0.283 nan 8.280 nan 0.000 0.485 335 V N 0.934 121.035 119.914 0.312 0.000 2.332 335 V HA -0.338 3.783 4.120 0.001 0.000 0.248 335 V C 2.354 178.447 176.094 -0.000 0.000 1.055 335 V CA 2.154 64.550 62.300 0.160 0.000 1.038 335 V CB -0.949 31.002 31.823 0.214 0.000 0.651 335 V HN 0.476 nan 8.190 nan 0.000 0.450 336 Q N 0.731 120.559 119.800 0.046 0.000 2.029 336 Q HA -0.309 4.032 4.340 0.001 0.000 0.209 336 Q C 2.139 178.094 176.000 -0.075 0.000 0.999 336 Q CA 2.819 58.612 55.803 -0.017 0.000 0.857 336 Q CB -0.702 28.059 28.738 0.039 0.000 0.926 336 Q HN 0.872 nan 8.270 nan 0.000 0.415 337 H N -1.052 117.972 119.070 -0.075 0.000 2.389 337 H HA -0.073 4.483 4.556 0.001 0.000 0.299 337 H C 1.575 176.721 175.328 -0.303 0.000 1.081 337 H CA 1.583 57.544 56.048 -0.144 0.000 1.345 337 H CB -0.299 29.430 29.762 -0.055 0.000 1.393 337 H HN 0.326 nan 8.280 nan 0.000 0.520 338 L N 0.649 121.546 121.223 -0.543 0.000 2.056 338 L HA -0.134 4.206 4.340 0.001 0.000 0.207 338 L C 2.771 179.307 176.870 -0.558 0.000 1.078 338 L CA 1.956 56.405 54.840 -0.651 0.000 0.749 338 L CB -1.116 40.756 42.059 -0.311 0.000 0.901 338 L HN 0.599 nan 8.230 nan 0.000 0.433 339 S N -0.900 114.507 115.700 -0.489 0.000 2.382 339 S HA -0.032 4.438 4.470 0.001 0.000 0.228 339 S C 1.798 176.085 174.600 -0.522 0.000 1.027 339 S CA 0.898 58.680 58.200 -0.697 0.000 0.991 339 S CB -0.865 61.603 63.200 -1.219 0.000 0.823 339 S HN 0.648 nan 8.310 nan 0.000 0.469 340 G N -0.134 108.413 108.800 -0.422 0.000 2.168 340 G HA2 -0.262 3.698 3.960 0.001 0.000 0.263 340 G HA3 -0.262 3.698 3.960 0.001 0.000 0.263 340 G C -0.089 174.661 174.900 -0.251 0.000 0.977 340 G CA 0.434 45.348 45.100 -0.310 0.000 0.659 340 G HN 0.526 nan 8.290 nan 0.000 0.533 341 Y N -0.032 120.078 120.300 -0.317 0.000 2.480 341 Y HA 0.362 4.912 4.550 0.001 0.000 0.338 341 Y C 1.762 177.422 175.900 -0.400 0.000 1.220 341 Y CA -0.050 57.818 58.100 -0.387 0.000 1.430 341 Y CB 0.285 38.603 38.460 -0.237 0.000 1.311 341 Y HN 0.325 nan 8.280 nan 0.000 0.575 342 H N 1.014 119.958 119.070 -0.210 0.000 2.497 342 H HA -0.003 4.553 4.556 0.001 0.000 0.282 342 H C 0.105 175.335 175.328 -0.163 0.000 1.003 342 H CA -0.096 55.852 56.048 -0.166 0.000 1.307 342 H CB 0.181 29.898 29.762 -0.075 0.000 1.437 342 H HN 0.414 nan 8.280 nan 0.000 0.544 343 F N 2.780 122.413 119.950 -0.529 0.000 2.538 343 F HA 0.093 4.620 4.527 0.001 0.000 0.371 343 F C 0.366 176.123 175.800 -0.073 0.000 1.087 343 F CA -0.582 57.206 58.000 -0.354 0.000 1.250 343 F CB 0.430 38.978 39.000 -0.753 0.000 1.110 343 F HN -0.213 nan 8.300 nan 0.000 0.570 344 K N 7.907 127.855 120.400 -0.753 0.000 2.273 344 K HA 0.289 4.610 4.320 0.001 0.000 0.287 344 K C -0.481 175.572 176.600 -0.913 0.000 1.089 344 K CA -0.448 55.495 56.287 -0.573 0.000 0.909 344 K CB 0.244 32.573 32.500 -0.285 0.000 1.123 344 K HN 0.732 nan 8.250 nan 0.000 0.473 345 L N 3.483 124.400 121.223 -0.509 0.000 2.483 345 L HA 0.104 4.445 4.340 0.001 0.000 0.275 345 L C 0.403 177.193 176.870 -0.134 0.000 1.220 345 L CA 0.515 55.200 54.840 -0.259 0.000 0.833 345 L CB 0.386 42.437 42.059 -0.014 0.000 1.102 345 L HN 0.541 nan 8.230 nan 0.000 0.490 346 K N 1.903 122.302 120.400 -0.003 0.000 2.427 346 K HA 0.336 4.657 4.320 0.001 0.000 0.252 346 K C -1.359 175.332 176.600 0.152 0.000 0.931 346 K CA -0.741 55.580 56.287 0.057 0.000 0.793 346 K CB 1.691 34.215 32.500 0.040 0.000 1.211 346 K HN 0.264 nan 8.250 nan 0.000 0.426 347 F N 4.335 124.279 119.950 -0.011 0.000 2.368 347 F HA 0.313 4.840 4.527 0.001 0.000 0.362 347 F C -0.890 174.870 175.800 -0.066 0.000 1.137 347 F CA -0.815 57.163 58.000 -0.037 0.000 1.161 347 F CB 0.476 39.471 39.000 -0.009 0.000 1.265 347 F HN 0.426 nan 8.300 nan 0.000 0.530 348 D N 8.389 128.546 120.400 -0.406 0.000 2.328 348 D HA 0.320 4.961 4.640 0.001 0.000 0.243 348 D C -2.266 173.655 176.300 -0.631 0.000 1.324 348 D CA -1.925 51.774 54.000 -0.502 0.000 0.966 348 D CB 1.838 42.523 40.800 -0.192 0.000 1.324 348 D HN 0.158 nan 8.370 nan 0.000 0.549 349 P HA -0.144 nan 4.420 nan 0.000 0.217 349 P C 0.873 177.512 177.300 -1.103 0.000 1.148 349 P CA 1.072 63.588 63.100 -0.974 0.000 0.828 349 P CB 0.354 31.199 31.700 -1.425 0.000 0.783 350 E N -0.583 118.999 120.200 -1.030 0.000 2.209 350 E HA -0.136 4.215 4.350 0.001 0.000 0.196 350 E C 1.788 178.008 176.600 -0.633 0.000 0.993 350 E CA 0.724 56.429 56.400 -1.159 0.000 0.819 350 E CB -0.600 28.930 29.700 -0.282 0.000 0.745 350 E HN 0.343 nan 8.360 nan 0.000 0.477 351 L N 0.386 121.369 121.223 -0.399 0.000 2.353 351 L HA -0.129 4.211 4.340 0.001 0.000 0.220 351 L C 1.974 178.754 176.870 -0.150 0.000 1.133 351 L CA 0.667 55.397 54.840 -0.183 0.000 0.798 351 L CB -0.142 41.841 42.059 -0.126 0.000 0.922 351 L HN 0.164 nan 8.230 nan 0.000 0.445 352 L N -2.357 118.728 121.223 -0.231 0.000 2.693 352 L HA 0.092 4.433 4.340 0.001 0.000 0.235 352 L C 1.953 178.952 176.870 0.214 0.000 1.127 352 L CA -0.068 54.721 54.840 -0.084 0.000 0.914 352 L CB -0.031 41.866 42.059 -0.271 0.000 1.193 352 L HN 0.150 nan 8.230 nan 0.000 0.502 353 F N 1.567 121.579 119.950 0.103 0.000 2.186 353 F HA -0.164 4.363 4.527 0.001 0.000 0.299 353 F C 1.672 177.550 175.800 0.130 0.000 1.090 353 F CA 0.633 58.722 58.000 0.149 0.000 1.307 353 F CB 0.020 39.103 39.000 0.139 0.000 1.019 353 F HN 0.398 nan 8.300 nan 0.000 0.489 354 N N -0.002 118.875 118.700 0.295 0.000 2.451 354 N HA 0.098 4.838 4.740 0.001 0.000 0.264 354 N C -0.617 174.986 175.510 0.154 0.000 1.167 354 N CA -0.033 53.135 53.050 0.196 0.000 0.898 354 N CB 0.173 38.756 38.487 0.160 0.000 1.176 354 N HN 0.196 nan 8.380 nan 0.000 0.507 355 Q N -0.132 119.769 119.800 0.169 0.000 2.451 355 Q HA 0.389 4.729 4.340 0.001 0.000 0.281 355 Q C -1.242 174.850 176.000 0.155 0.000 1.099 355 Q CA -0.566 55.316 55.803 0.132 0.000 0.806 355 Q CB 1.847 30.640 28.738 0.093 0.000 1.419 355 Q HN 0.283 nan 8.270 nan 0.000 0.427 356 Q N 1.536 121.416 119.800 0.133 0.000 2.295 356 Q HA 0.541 4.882 4.340 0.001 0.000 0.259 356 Q C -1.288 174.823 176.000 0.184 0.000 0.976 356 Q CA -0.002 55.879 55.803 0.130 0.000 0.923 356 Q CB 0.743 29.533 28.738 0.087 0.000 1.185 356 Q HN 0.517 nan 8.270 nan 0.000 0.410 357 F N 1.253 121.158 119.950 -0.076 0.000 2.669 357 F HA 0.130 4.658 4.527 0.001 0.000 0.315 357 F C -1.657 173.968 175.800 -0.291 0.000 1.109 357 F CA -0.808 57.075 58.000 -0.196 0.000 1.028 357 F CB 1.568 40.399 39.000 -0.281 0.000 1.287 357 F HN 0.285 nan 8.300 nan 0.000 0.452 358 Q N 5.458 124.675 119.800 -0.971 0.000 2.368 358 Q HA 0.220 4.561 4.340 0.001 0.000 0.256 358 Q C -1.326 174.246 176.000 -0.713 0.000 0.980 358 Q CA -0.327 55.109 55.803 -0.611 0.000 0.887 358 Q CB 1.097 29.588 28.738 -0.411 0.000 1.221 358 Q HN 0.678 nan 8.270 nan 0.000 0.458 359 Y N 3.194 123.430 120.300 -0.107 0.000 2.532 359 Y HA 0.054 4.605 4.550 0.001 0.000 0.337 359 Y C 0.798 176.682 175.900 -0.025 0.000 1.274 359 Y CA -0.053 58.066 58.100 0.032 0.000 1.817 359 Y CB 0.165 38.714 38.460 0.149 0.000 1.769 359 Y HN 0.426 nan 8.280 nan 0.000 0.447 360 Q N 0.757 120.555 119.800 -0.004 0.000 2.666 360 Q HA 0.450 4.791 4.340 0.001 0.000 0.276 360 Q C -2.226 173.734 176.000 -0.067 0.000 0.952 360 Q CA -1.121 54.673 55.803 -0.015 0.000 0.850 360 Q CB 1.729 30.453 28.738 -0.024 0.000 1.512 360 Q HN 0.387 nan 8.270 nan 0.000 0.395 361 N N 0.017 118.688 118.700 -0.049 0.000 2.484 361 N HA 0.687 5.428 4.740 0.001 0.000 0.269 361 N C -2.163 173.299 175.510 -0.081 0.000 1.237 361 N CA -0.522 52.494 53.050 -0.056 0.000 0.838 361 N CB 2.495 40.967 38.487 -0.025 0.000 1.593 361 N HN 0.645 nan 8.380 nan 0.000 0.485 362 R N 2.218 122.667 120.500 -0.085 0.000 2.533 362 R HA 0.506 4.847 4.340 0.001 0.000 0.288 362 R C -1.168 175.162 176.300 0.051 0.000 1.039 362 R CA -0.554 55.450 56.100 -0.161 0.000 0.909 362 R CB 0.698 30.824 30.300 -0.290 0.000 1.195 362 R HN 0.515 nan 8.270 nan 0.000 0.438 363 I N 3.470 124.233 120.570 0.322 0.000 2.533 363 I HA 0.242 4.412 4.170 0.001 0.000 0.284 363 I C 0.527 176.811 176.117 0.278 0.000 1.109 363 I CA -0.023 61.466 61.300 0.315 0.000 1.412 363 I CB 0.719 38.975 38.000 0.427 0.000 1.396 363 I HN 0.712 nan 8.210 nan 0.000 0.543 364 A N 4.749 127.599 122.820 0.051 0.000 2.309 364 A HA 0.300 4.620 4.320 0.001 0.000 0.298 364 A C 1.265 178.754 177.584 -0.158 0.000 1.165 364 A CA -0.201 51.770 52.037 -0.110 0.000 0.821 364 A CB 0.852 19.548 19.000 -0.506 0.000 1.102 364 A HN 0.809 nan 8.150 nan 0.000 0.500 365 S N 1.302 116.930 115.700 -0.120 0.000 2.374 365 S HA -0.209 4.262 4.470 0.001 0.000 0.227 365 S C 1.586 176.053 174.600 -0.222 0.000 1.037 365 S CA 2.475 60.523 58.200 -0.253 0.000 1.024 365 S CB -0.333 62.868 63.200 0.001 0.000 0.861 365 S HN 0.799 nan 8.310 nan 0.000 0.456 366 E N 0.071 120.143 120.200 -0.213 0.000 2.150 366 E HA -0.017 4.334 4.350 0.001 0.000 0.193 366 E C 1.597 178.090 176.600 -0.178 0.000 0.985 366 E CA 0.890 57.154 56.400 -0.227 0.000 0.814 366 E CB -0.338 29.172 29.700 -0.315 0.000 0.752 366 E HN 0.566 nan 8.360 nan 0.000 0.466 367 F N 2.220 121.815 119.950 -0.592 0.000 2.069 367 F HA -0.220 4.307 4.527 0.001 0.000 0.298 367 F C 2.020 177.676 175.800 -0.240 0.000 1.113 367 F CA 1.399 59.171 58.000 -0.379 0.000 1.214 367 F CB -0.684 38.006 39.000 -0.517 0.000 0.978 367 F HN 0.034 nan 8.300 nan 0.000 0.474 368 N N 0.088 118.441 118.700 -0.577 0.000 2.036 368 N HA -0.196 4.545 4.740 0.001 0.000 0.195 368 N C 1.703 176.827 175.510 -0.644 0.000 1.037 368 N CA 2.550 54.793 53.050 -1.345 0.000 0.855 368 N CB -0.670 37.101 38.487 -1.193 0.000 1.033 368 N HN 0.337 nan 8.380 nan 0.000 0.423 369 T N 1.855 116.148 114.554 -0.434 0.000 2.708 369 T HA -0.134 4.216 4.350 0.001 0.000 0.266 369 T C 1.905 176.508 174.700 -0.161 0.000 1.037 369 T CA 1.577 63.407 62.100 -0.450 0.000 1.146 369 T CB -0.382 68.348 68.868 -0.230 0.000 0.865 369 T HN 0.437 nan 8.240 nan 0.000 0.435 370 L N -1.341 119.870 121.223 -0.020 0.000 2.456 370 L HA 0.176 4.516 4.340 0.001 0.000 0.224 370 L C 1.754 178.709 176.870 0.141 0.000 1.148 370 L CA 1.340 56.246 54.840 0.110 0.000 0.825 370 L CB -1.024 41.087 42.059 0.087 0.000 0.937 370 L HN 0.172 nan 8.230 nan 0.000 0.450 371 Y N -0.401 119.795 120.300 -0.175 0.000 2.485 371 Y HA 0.220 4.770 4.550 0.001 0.000 0.260 371 Y C 0.755 176.319 175.900 -0.559 0.000 1.173 371 Y CA -0.380 57.306 58.100 -0.690 0.000 1.252 371 Y CB 0.028 38.056 38.460 -0.719 0.000 1.123 371 Y HN 0.268 nan 8.280 nan 0.000 0.524 372 H N 0.279 119.304 119.070 -0.075 0.000 3.198 372 H HA -0.082 4.475 4.556 0.001 0.000 0.255 372 H C -0.516 174.992 175.328 0.300 0.000 1.729 372 H CA -0.233 55.847 56.048 0.053 0.000 1.495 372 H CB -0.274 29.583 29.762 0.159 0.000 1.807 372 H HN 0.401 nan 8.280 nan 0.000 0.554 373 W N 1.670 122.985 121.300 0.026 0.000 3.040 373 W HA 0.101 4.762 4.660 0.001 0.000 0.444 373 W C 0.759 177.307 176.519 0.047 0.000 0.793 373 W CA -0.884 56.520 57.345 0.098 0.000 2.104 373 W CB -1.168 28.402 29.460 0.184 0.000 1.060 373 W HN 0.664 nan 8.180 nan 0.000 0.842 374 H N 0.362 119.682 119.070 0.416 0.000 2.489 374 H HA -0.101 4.455 4.556 0.001 0.000 0.293 374 H C -0.542 174.944 175.328 0.263 0.000 1.066 374 H CA 1.418 57.653 56.048 0.311 0.000 1.305 374 H CB -1.088 28.839 29.762 0.276 0.000 1.386 374 H HN 0.013 nan 8.280 nan 0.000 0.551 375 P HA -0.142 nan 4.420 nan 0.000 0.221 375 P C 1.141 178.553 177.300 0.186 0.000 1.145 375 P CA 0.996 64.220 63.100 0.206 0.000 0.795 375 P CB 0.022 31.798 31.700 0.126 0.000 0.775 376 L N -1.722 119.627 121.223 0.210 0.000 2.127 376 L HA -0.144 4.197 4.340 0.001 0.000 0.211 376 L C 1.154 178.129 176.870 0.175 0.000 1.089 376 L CA 0.743 55.692 54.840 0.181 0.000 0.757 376 L CB -0.838 41.358 42.059 0.228 0.000 0.899 376 L HN 0.013 nan 8.230 nan 0.000 0.434 377 L N 0.945 122.294 121.223 0.210 0.000 2.456 377 L HA 0.135 4.476 4.340 0.001 0.000 0.272 377 L C -1.899 175.062 176.870 0.152 0.000 1.189 377 L CA -1.552 53.392 54.840 0.174 0.000 0.846 377 L CB -0.075 42.220 42.059 0.393 0.000 1.111 377 L HN -0.106 nan 8.230 nan 0.000 0.475 378 P HA 0.158 nan 4.420 nan 0.000 0.284 378 P C -0.451 176.683 177.300 -0.276 0.000 1.292 378 P CA -0.504 62.399 63.100 -0.328 0.000 0.800 378 P CB 1.138 32.481 31.700 -0.595 0.000 1.188 379 D N -1.092 119.114 120.400 -0.322 0.000 2.149 379 D HA -0.021 4.619 4.640 0.001 0.000 0.201 379 D C 0.819 177.038 176.300 -0.136 0.000 0.972 379 D CA 1.691 55.633 54.000 -0.097 0.000 0.835 379 D CB -0.019 40.706 40.800 -0.125 0.000 0.966 379 D HN 0.530 nan 8.370 nan 0.000 0.476 380 T N -2.300 112.020 114.554 -0.390 0.000 2.896 380 T HA 0.563 4.913 4.350 0.001 0.000 0.297 380 T C -0.729 173.570 174.700 -0.668 0.000 1.108 380 T CA -0.916 60.946 62.100 -0.396 0.000 1.004 380 T CB 1.372 70.137 68.868 -0.171 0.000 1.159 380 T HN -0.220 nan 8.240 nan 0.000 0.499 381 F N 2.059 121.834 119.950 -0.292 0.000 2.385 381 F HA 0.468 4.995 4.527 0.001 0.000 0.360 381 F C 0.444 176.158 175.800 -0.144 0.000 1.122 381 F CA -1.016 56.775 58.000 -0.347 0.000 1.090 381 F CB 0.957 39.361 39.000 -0.994 0.000 1.150 381 F HN 0.425 nan 8.300 nan 0.000 0.472 382 N N 5.374 124.091 118.700 0.029 0.000 2.457 382 N HA 0.457 5.197 4.740 0.001 0.000 0.250 382 N C -0.804 174.651 175.510 -0.092 0.000 0.982 382 N CA -0.201 52.823 53.050 -0.042 0.000 0.941 382 N CB 1.524 39.966 38.487 -0.076 0.000 1.120 382 N HN 0.511 nan 8.380 nan 0.000 0.505 383 I N 1.265 121.730 120.570 -0.175 0.000 2.418 383 I HA 0.153 4.323 4.170 0.001 0.000 0.287 383 I C 0.977 176.915 176.117 -0.298 0.000 1.008 383 I CA -0.407 60.647 61.300 -0.409 0.000 1.104 383 I CB 1.270 38.817 38.000 -0.754 0.000 1.264 383 I HN 0.486 nan 8.210 nan 0.000 0.438 384 E N 2.794 122.879 120.200 -0.191 0.000 3.287 384 E HA -0.325 4.026 4.350 0.001 0.000 0.405 384 E C 0.193 176.774 176.600 -0.032 0.000 1.541 384 E CA 2.094 58.471 56.400 -0.039 0.000 1.405 384 E CB -0.445 29.328 29.700 0.122 0.000 1.576 384 E HN 0.758 nan 8.360 nan 0.000 0.474 385 D N 0.495 120.903 120.400 0.013 0.000 2.271 385 D HA 0.009 4.649 4.640 0.001 0.000 0.206 385 D C 0.419 176.673 176.300 -0.077 0.000 0.967 385 D CA 0.723 54.713 54.000 -0.017 0.000 0.867 385 D CB 0.066 40.873 40.800 0.011 0.000 0.960 385 D HN 0.091 nan 8.370 nan 0.000 0.509 386 Q N 0.678 120.406 119.800 -0.119 0.000 2.368 386 Q HA 0.293 4.633 4.340 0.001 0.000 0.237 386 Q C -0.219 175.554 176.000 -0.377 0.000 0.987 386 Q CA 0.321 55.924 55.803 -0.333 0.000 0.896 386 Q CB 1.071 29.423 28.738 -0.644 0.000 1.241 386 Q HN 0.176 nan 8.270 nan 0.000 0.485 387 E N 1.757 121.700 120.200 -0.428 0.000 2.267 387 E HA 0.242 4.592 4.350 0.001 0.000 0.248 387 E C -1.180 175.261 176.600 -0.264 0.000 0.899 387 E CA -0.270 55.966 56.400 -0.274 0.000 0.764 387 E CB 0.862 30.466 29.700 -0.160 0.000 1.227 387 E HN 0.377 nan 8.360 nan 0.000 0.421 388 Y N 1.156 121.477 120.300 0.034 0.000 2.313 388 Y HA 0.132 4.682 4.550 0.001 0.000 0.332 388 Y C 1.192 177.184 175.900 0.154 0.000 1.071 388 Y CA -0.654 57.517 58.100 0.119 0.000 1.169 388 Y CB 1.105 39.680 38.460 0.191 0.000 1.192 388 Y HN 0.344 nan 8.280 nan 0.000 0.487 389 S N 1.507 117.407 115.700 0.333 0.000 2.624 389 S HA 0.156 4.627 4.470 0.001 0.000 0.263 389 S C 0.825 175.697 174.600 0.454 0.000 1.287 389 S CA -0.548 57.851 58.200 0.332 0.000 0.990 389 S CB 0.394 63.757 63.200 0.272 0.000 0.950 389 S HN 0.564 nan 8.310 nan 0.000 0.561 390 F N 1.066 121.225 119.950 0.349 0.000 2.095 390 F HA -0.055 4.472 4.527 0.001 0.000 0.298 390 F C 2.684 178.639 175.800 0.259 0.000 1.104 390 F CA 1.810 60.043 58.000 0.387 0.000 1.232 390 F CB -0.379 38.795 39.000 0.291 0.000 0.987 390 F HN 0.567 nan 8.300 nan 0.000 0.475 391 K N 0.706 121.349 120.400 0.406 0.000 2.074 391 K HA -0.222 4.099 4.320 0.001 0.000 0.209 391 K C 1.890 178.643 176.600 0.254 0.000 1.048 391 K CA 1.867 58.323 56.287 0.282 0.000 0.926 391 K CB -0.433 32.205 32.500 0.231 0.000 0.713 391 K HN 0.415 nan 8.250 nan 0.000 0.444 392 Q N -1.467 118.507 119.800 0.291 0.000 2.245 392 Q HA -0.066 4.274 4.340 0.001 0.000 0.201 392 Q C 1.867 178.007 176.000 0.234 0.000 0.955 392 Q CA 0.786 56.760 55.803 0.284 0.000 0.870 392 Q CB -0.054 28.915 28.738 0.386 0.000 0.945 392 Q HN 0.179 nan 8.270 nan 0.000 0.461 393 F N 1.046 121.007 119.950 0.017 0.000 2.219 393 F HA 0.090 4.618 4.527 0.001 0.000 0.294 393 F C 0.641 176.304 175.800 -0.228 0.000 1.086 393 F CA 0.256 58.141 58.000 -0.192 0.000 1.330 393 F CB 0.183 38.939 39.000 -0.406 0.000 1.047 393 F HN -0.128 nan 8.300 nan 0.000 0.495 394 L N 0.955 122.058 121.223 -0.199 0.000 2.453 394 L HA -0.035 4.306 4.340 0.001 0.000 0.272 394 L C 0.308 176.897 176.870 -0.468 0.000 1.182 394 L CA -0.243 54.277 54.840 -0.532 0.000 0.858 394 L CB -0.425 41.178 42.059 -0.760 0.000 1.120 394 L HN 0.432 nan 8.230 nan 0.000 0.474 395 Y N 0.498 120.771 120.300 -0.044 0.000 4.236 395 Y HA -0.300 4.251 4.550 0.001 0.000 0.220 395 Y C 0.479 176.382 175.900 0.005 0.000 1.115 395 Y CA 0.140 58.253 58.100 0.021 0.000 1.811 395 Y CB -1.955 36.548 38.460 0.071 0.000 1.581 395 Y HN 0.675 nan 8.280 nan 0.000 0.643 396 N N 1.432 120.131 118.700 -0.001 0.000 2.707 396 N HA 0.220 4.961 4.740 0.001 0.000 0.235 396 N C 0.280 175.742 175.510 -0.081 0.000 1.028 396 N CA -0.345 52.698 53.050 -0.011 0.000 0.906 396 N CB 0.291 38.763 38.487 -0.025 0.000 1.131 396 N HN 0.230 nan 8.380 nan 0.000 0.509 397 N N 0.433 119.128 118.700 -0.008 0.000 2.463 397 N HA -0.012 4.728 4.740 0.001 0.000 0.181 397 N C 1.072 176.579 175.510 -0.005 0.000 1.078 397 N CA 0.288 53.344 53.050 0.011 0.000 0.902 397 N CB 0.355 38.960 38.487 0.197 0.000 0.970 397 N HN 0.365 nan 8.380 nan 0.000 0.451 398 S N 1.520 117.213 115.700 -0.011 0.000 2.374 398 S HA -0.075 4.395 4.470 0.001 0.000 0.227 398 S C 2.031 176.644 174.600 0.022 0.000 1.037 398 S CA 0.751 58.947 58.200 -0.008 0.000 1.024 398 S CB -0.203 63.002 63.200 0.008 0.000 0.861 398 S HN 0.330 nan 8.310 nan 0.000 0.456 399 I N 0.908 121.498 120.570 0.033 0.000 2.248 399 I HA -0.219 3.951 4.170 0.001 0.000 0.248 399 I C 2.353 178.666 176.117 0.327 0.000 1.107 399 I CA 0.958 62.348 61.300 0.151 0.000 1.373 399 I CB -0.397 37.577 38.000 -0.044 0.000 1.055 399 I HN 0.239 nan 8.210 nan 0.000 0.418 400 L N 0.747 122.000 121.223 0.050 0.000 2.005 400 L HA -0.147 4.194 4.340 0.001 0.000 0.207 400 L C 2.306 179.114 176.870 -0.104 0.000 1.072 400 L CA 1.787 56.462 54.840 -0.275 0.000 0.744 400 L CB -0.506 41.265 42.059 -0.481 0.000 0.895 400 L HN 0.106 nan 8.230 nan 0.000 0.433 401 L N -0.536 120.620 121.223 -0.112 0.000 2.131 401 L HA -0.199 4.142 4.340 0.001 0.000 0.210 401 L C 2.520 179.382 176.870 -0.013 0.000 1.092 401 L CA 1.308 56.077 54.840 -0.118 0.000 0.759 401 L CB -0.552 41.412 42.059 -0.158 0.000 0.903 401 L HN 0.402 nan 8.230 nan 0.000 0.435 402 E N -0.042 120.165 120.200 0.013 0.000 2.017 402 E HA -0.225 4.125 4.350 0.001 0.000 0.193 402 E C 2.131 178.681 176.600 -0.084 0.000 0.997 402 E CA 1.700 58.064 56.400 -0.060 0.000 0.804 402 E CB -0.050 29.588 29.700 -0.104 0.000 0.757 402 E HN 0.474 nan 8.360 nan 0.000 0.448 403 H N -0.809 118.358 119.070 0.160 0.000 2.520 403 H HA 0.274 4.831 4.556 0.001 0.000 0.279 403 H C 1.043 176.461 175.328 0.151 0.000 0.990 403 H CA 0.718 56.872 56.048 0.177 0.000 1.288 403 H CB 0.386 30.304 29.762 0.260 0.000 1.446 403 H HN 0.313 nan 8.280 nan 0.000 0.538 404 G N 0.980 109.923 108.800 0.238 0.000 2.781 404 G HA2 -0.220 3.740 3.960 0.001 0.000 0.683 404 G HA3 -0.220 3.740 3.960 0.001 0.000 0.683 404 G C 0.551 175.495 174.900 0.074 0.000 1.390 404 G CA -0.218 44.962 45.100 0.134 0.000 0.850 404 G HN 0.136 nan 8.290 nan 0.000 0.557 405 L N 0.699 121.896 121.223 -0.044 0.000 2.046 405 L HA -0.099 4.241 4.340 0.001 0.000 0.208 405 L C 3.232 180.098 176.870 -0.007 0.000 1.077 405 L CA 3.033 57.808 54.840 -0.108 0.000 0.747 405 L CB -1.780 40.161 42.059 -0.197 0.000 0.896 405 L HN 0.867 nan 8.230 nan 0.000 0.432 406 T N -0.930 113.623 114.554 -0.002 0.000 2.652 406 T HA -0.271 4.079 4.350 0.001 0.000 0.267 406 T C 1.824 176.549 174.700 0.041 0.000 1.039 406 T CA 1.683 63.788 62.100 0.008 0.000 1.153 406 T CB -0.149 68.723 68.868 0.007 0.000 0.863 406 T HN 0.163 nan 8.240 nan 0.000 0.428 407 Q N 0.016 119.865 119.800 0.082 0.000 2.170 407 Q HA -0.001 4.340 4.340 0.001 0.000 0.203 407 Q C 1.805 177.797 176.000 -0.012 0.000 0.976 407 Q CA 1.359 57.203 55.803 0.069 0.000 0.858 407 Q CB -0.648 28.177 28.738 0.145 0.000 0.907 407 Q HN 0.504 nan 8.270 nan 0.000 0.433 408 F N -1.071 118.760 119.950 -0.198 0.000 2.102 408 F HA -0.183 4.344 4.527 0.001 0.000 0.298 408 F C 2.181 177.783 175.800 -0.331 0.000 1.105 408 F CA 1.200 58.952 58.000 -0.414 0.000 1.239 408 F CB -0.588 38.211 39.000 -0.335 0.000 0.991 408 F HN -0.067 nan 8.300 nan 0.000 0.474 409 V N -0.262 119.675 119.914 0.039 0.000 2.295 409 V HA -0.279 3.842 4.120 0.001 0.000 0.246 409 V C 2.158 178.286 176.094 0.058 0.000 1.049 409 V CA 2.037 64.370 62.300 0.054 0.000 1.024 409 V CB -0.618 31.207 31.823 0.004 0.000 0.648 409 V HN 0.309 nan 8.190 nan 0.000 0.447 410 E N 0.017 120.231 120.200 0.024 0.000 2.058 410 E HA -0.197 4.153 4.350 0.001 0.000 0.194 410 E C 2.447 179.063 176.600 0.027 0.000 0.997 410 E CA 1.715 58.138 56.400 0.039 0.000 0.801 410 E CB -0.238 29.476 29.700 0.023 0.000 0.746 410 E HN 0.485 nan 8.360 nan 0.000 0.450 411 S N 0.095 115.752 115.700 -0.071 0.000 2.368 411 S HA -0.091 4.380 4.470 0.001 0.000 0.224 411 S C 1.544 176.197 174.600 0.088 0.000 1.029 411 S CA 0.796 58.936 58.200 -0.100 0.000 0.988 411 S CB -0.149 62.842 63.200 -0.349 0.000 0.838 411 S HN 0.178 nan 8.310 nan 0.000 0.462 412 F N 1.995 121.966 119.950 0.035 0.000 2.456 412 F HA 0.056 4.583 4.527 0.001 0.000 0.298 412 F C 2.566 178.445 175.800 0.132 0.000 1.104 412 F CA 0.399 58.467 58.000 0.113 0.000 1.435 412 F CB -1.517 37.607 39.000 0.206 0.000 1.078 412 F HN 0.137 nan 8.300 nan 0.000 0.546 413 T N -0.643 114.085 114.554 0.290 0.000 2.904 413 T HA -0.103 4.247 4.350 0.001 0.000 0.267 413 T C 2.165 176.972 174.700 0.178 0.000 1.059 413 T CA 0.994 63.224 62.100 0.218 0.000 1.137 413 T CB -0.023 68.960 68.868 0.191 0.000 0.879 413 T HN 0.200 nan 8.240 nan 0.000 0.467 414 R N 0.562 121.153 120.500 0.151 0.000 2.140 414 R HA 0.154 4.494 4.340 0.001 0.000 0.213 414 R C 1.334 177.691 176.300 0.095 0.000 1.059 414 R CA 0.184 56.345 56.100 0.101 0.000 1.000 414 R CB 0.144 30.481 30.300 0.062 0.000 0.910 414 R HN 0.385 nan 8.270 nan 0.000 0.455 415 Q N 1.783 121.660 119.800 0.128 0.000 2.295 415 Q HA 0.177 4.517 4.340 0.001 0.000 0.259 415 Q C -0.630 175.419 176.000 0.082 0.000 0.976 415 Q CA -0.157 55.698 55.803 0.086 0.000 0.923 415 Q CB 0.910 29.707 28.738 0.100 0.000 1.185 415 Q HN 0.151 nan 8.270 nan 0.000 0.410 416 I N 3.310 123.924 120.570 0.073 0.000 2.634 416 I HA 0.330 4.501 4.170 0.001 0.000 0.284 416 I C -0.323 175.895 176.117 0.169 0.000 1.124 416 I CA 0.012 61.381 61.300 0.115 0.000 1.417 416 I CB 0.826 38.909 38.000 0.139 0.000 1.396 416 I HN 0.850 nan 8.210 nan 0.000 0.571 417 A N 5.229 128.139 122.820 0.150 0.000 2.256 417 A HA 0.730 5.050 4.320 0.001 0.000 0.318 417 A C 0.126 177.815 177.584 0.175 0.000 1.103 417 A CA -0.155 51.981 52.037 0.166 0.000 0.860 417 A CB 0.628 19.698 19.000 0.117 0.000 1.182 417 A HN 0.850 nan 8.150 nan 0.000 0.501 418 G N -0.432 108.464 108.800 0.160 0.000 2.448 418 G HA2 0.483 4.444 3.960 0.001 0.000 0.285 418 G HA3 0.483 4.444 3.960 0.001 0.000 0.285 418 G C 0.073 174.894 174.900 -0.131 0.000 1.176 418 G CA -0.635 44.420 45.100 -0.074 0.000 0.852 418 G HN 0.864 nan 8.290 nan 0.000 0.530 419 R N 0.959 121.320 120.500 -0.231 0.000 2.491 419 R HA 0.229 4.570 4.340 0.001 0.000 0.283 419 R C 0.851 177.073 176.300 -0.130 0.000 1.072 419 R CA -0.457 55.520 56.100 -0.204 0.000 1.048 419 R CB 0.852 31.023 30.300 -0.216 0.000 0.983 419 R HN 0.253 nan 8.270 nan 0.000 0.450 420 V N 3.780 123.621 119.914 -0.121 0.000 2.374 420 V HA 0.059 4.179 4.120 0.001 0.000 0.241 420 V C 1.107 177.186 176.094 -0.026 0.000 1.034 420 V CA 1.557 63.836 62.300 -0.036 0.000 1.037 420 V CB -0.458 31.349 31.823 -0.028 0.000 0.682 420 V HN 0.912 nan 8.190 nan 0.000 0.463 421 A N -0.568 122.241 122.820 -0.018 0.000 2.250 421 A HA 0.536 4.857 4.320 0.001 0.000 0.283 421 A C 1.548 179.093 177.584 -0.065 0.000 1.206 421 A CA 0.537 52.552 52.037 -0.036 0.000 0.840 421 A CB -0.247 18.748 19.000 -0.009 0.000 1.220 421 A HN 1.383 nan 8.150 nan 0.000 0.505 422 G N -2.212 106.550 108.800 -0.064 0.000 2.195 422 G HA2 0.326 4.286 3.960 0.001 0.000 0.246 422 G HA3 0.326 4.286 3.960 0.001 0.000 0.246 422 G C 1.655 176.518 174.900 -0.063 0.000 0.984 422 G CA 0.656 45.715 45.100 -0.068 0.000 0.633 422 G HN 3.048 nan 8.290 nan 0.000 0.525 423 G N -0.614 108.151 108.800 -0.059 0.000 2.733 423 G HA2 0.255 4.215 3.960 0.001 0.000 0.686 423 G HA3 0.255 4.215 3.960 0.001 0.000 0.686 423 G C 0.245 175.120 174.900 -0.041 0.000 1.373 423 G CA 0.379 45.450 45.100 -0.048 0.000 0.838 423 G HN 1.693 nan 8.290 nan 0.000 0.588 424 R N -0.777 119.707 120.500 -0.026 0.000 3.205 424 R HA -0.201 4.140 4.340 0.001 0.000 0.249 424 R C 0.450 176.742 176.300 -0.013 0.000 0.937 424 R CA 1.010 57.102 56.100 -0.015 0.000 0.641 424 R CB -1.221 29.068 30.300 -0.019 0.000 1.114 424 R HN 0.722 nan 8.270 nan 0.000 0.451 425 N N -0.708 117.992 118.700 0.000 0.000 2.217 425 N HA 0.088 4.828 4.740 0.001 0.000 0.239 425 N C -0.916 174.635 175.510 0.068 0.000 1.330 425 N CA 0.011 53.067 53.050 0.011 0.000 0.838 425 N CB 1.187 39.650 38.487 -0.040 0.000 1.287 425 N HN 0.058 nan 8.380 nan 0.000 0.498 426 V N 2.951 122.911 119.914 0.077 0.000 2.455 426 V HA 0.340 4.461 4.120 0.001 0.000 0.273 426 V C -2.018 174.125 176.094 0.082 0.000 1.045 426 V CA -1.322 61.047 62.300 0.114 0.000 0.976 426 V CB 0.972 32.864 31.823 0.114 0.000 0.993 426 V HN 0.087 nan 8.190 nan 0.000 0.475 427 P HA 0.172 nan 4.420 nan 0.000 0.265 427 P C 1.061 178.312 177.300 -0.082 0.000 1.193 427 P CA 0.118 63.226 63.100 0.013 0.000 0.765 427 P CB 0.625 32.333 31.700 0.013 0.000 0.823 428 I N 2.415 122.932 120.570 -0.089 0.000 2.264 428 I HA -0.296 3.874 4.170 0.001 0.000 0.248 428 I C 2.160 178.175 176.117 -0.169 0.000 1.111 428 I CA 1.657 62.902 61.300 -0.092 0.000 1.382 428 I CB -0.562 37.403 38.000 -0.058 0.000 1.060 428 I HN 0.384 nan 8.210 nan 0.000 0.418 429 A N -0.376 122.240 122.820 -0.340 0.000 2.139 429 A HA -0.147 4.174 4.320 0.001 0.000 0.221 429 A C 2.056 179.433 177.584 -0.346 0.000 1.159 429 A CA 1.600 53.358 52.037 -0.465 0.000 0.662 429 A CB -0.375 17.933 19.000 -1.154 0.000 0.796 429 A HN 0.328 nan 8.150 nan 0.000 0.463 430 V N 0.211 119.961 119.914 -0.273 0.000 3.078 430 V HA 0.017 4.137 4.120 0.001 0.000 0.344 430 V C 1.766 177.804 176.094 -0.092 0.000 1.409 430 V CA 0.618 62.830 62.300 -0.147 0.000 1.146 430 V CB -0.098 31.672 31.823 -0.088 0.000 1.126 430 V HN 0.864 nan 8.190 nan 0.000 0.513 431 Q N 0.644 120.403 119.800 -0.069 0.000 2.135 431 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 431 Q C 1.984 177.970 176.000 -0.022 0.000 0.981 431 Q CA 2.119 57.906 55.803 -0.027 0.000 0.856 431 Q CB -0.495 28.232 28.738 -0.019 0.000 0.902 431 Q HN 0.555 nan 8.270 nan 0.000 0.425 432 A N 1.182 123.982 122.820 -0.032 0.000 1.940 432 A HA -0.124 4.196 4.320 0.001 0.000 0.219 432 A C 2.345 179.907 177.584 -0.036 0.000 1.176 432 A CA 1.632 53.653 52.037 -0.026 0.000 0.631 432 A CB -0.754 18.234 19.000 -0.021 0.000 0.814 432 A HN 0.279 nan 8.150 nan 0.000 0.446 433 V N -0.397 119.476 119.914 -0.069 0.000 2.427 433 V HA -0.200 3.921 4.120 0.001 0.000 0.248 433 V C 2.980 179.044 176.094 -0.049 0.000 1.051 433 V CA 1.806 64.045 62.300 -0.102 0.000 1.048 433 V CB -1.171 30.481 31.823 -0.285 0.000 0.666 433 V HN 0.608 nan 8.190 nan 0.000 0.456 434 A N -0.308 122.511 122.820 -0.002 0.000 1.929 434 A HA -0.196 4.124 4.320 0.001 0.000 0.216 434 A C 2.352 179.993 177.584 0.094 0.000 1.176 434 A CA 1.882 53.993 52.037 0.124 0.000 0.628 434 A CB -0.397 18.700 19.000 0.162 0.000 0.816 434 A HN 0.492 nan 8.150 nan 0.000 0.444 435 K N -0.210 120.213 120.400 0.040 0.000 2.057 435 K HA -0.065 4.255 4.320 0.001 0.000 0.206 435 K C 2.173 178.766 176.600 -0.011 0.000 1.050 435 K CA 1.125 57.427 56.287 0.026 0.000 0.935 435 K CB -0.315 32.191 32.500 0.011 0.000 0.715 435 K HN 0.349 nan 8.250 nan 0.000 0.439 436 A N 0.710 123.509 122.820 -0.034 0.000 1.940 436 A HA -0.153 4.168 4.320 0.001 0.000 0.219 436 A C 2.150 179.654 177.584 -0.135 0.000 1.176 436 A CA 2.093 54.094 52.037 -0.061 0.000 0.631 436 A CB -0.629 18.345 19.000 -0.043 0.000 0.814 436 A HN 0.363 nan 8.150 nan 0.000 0.446 437 S N -0.198 115.376 115.700 -0.210 0.000 2.370 437 S HA -0.133 4.337 4.470 0.001 0.000 0.226 437 S C 1.793 176.142 174.600 -0.418 0.000 1.033 437 S CA 1.552 59.437 58.200 -0.525 0.000 1.011 437 S CB -0.478 62.110 63.200 -1.020 0.000 0.852 437 S HN 0.568 nan 8.310 nan 0.000 0.457 438 I N 1.545 122.028 120.570 -0.145 0.000 2.163 438 I HA -0.168 4.002 4.170 0.001 0.000 0.240 438 I C 2.033 178.111 176.117 -0.066 0.000 1.081 438 I CA 1.165 62.460 61.300 -0.009 0.000 1.353 438 I CB -0.441 37.617 38.000 0.097 0.000 1.054 438 I HN 0.167 nan 8.210 nan 0.000 0.407 439 D N 0.559 120.921 120.400 -0.062 0.000 2.117 439 D HA -0.187 4.453 4.640 0.001 0.000 0.197 439 D C 2.227 178.476 176.300 -0.086 0.000 0.987 439 D CA 1.266 55.236 54.000 -0.050 0.000 0.829 439 D CB -0.257 40.524 40.800 -0.031 0.000 0.961 439 D HN 0.420 nan 8.370 nan 0.000 0.460 440 Q N 0.146 119.866 119.800 -0.133 0.000 2.230 440 Q HA -0.008 4.332 4.340 0.001 0.000 0.202 440 Q C 2.237 178.073 176.000 -0.273 0.000 0.963 440 Q CA 0.594 56.305 55.803 -0.153 0.000 0.866 440 Q CB 0.143 28.799 28.738 -0.138 0.000 0.931 440 Q HN 0.069 nan 8.270 nan 0.000 0.452 441 S N 0.665 116.126 115.700 -0.398 0.000 2.370 441 S HA -0.164 4.307 4.470 0.001 0.000 0.226 441 S C 1.770 176.153 174.600 -0.363 0.000 1.033 441 S CA 1.214 59.009 58.200 -0.675 0.000 1.011 441 S CB -0.088 62.788 63.200 -0.541 0.000 0.852 441 S HN 0.344 nan 8.310 nan 0.000 0.457 442 R N 0.913 121.325 120.500 -0.147 0.000 2.073 442 R HA -0.007 4.333 4.340 0.001 0.000 0.229 442 R C 2.440 178.736 176.300 -0.008 0.000 1.120 442 R CA 1.163 57.248 56.100 -0.025 0.000 0.967 442 R CB -0.314 29.989 30.300 0.005 0.000 0.862 442 R HN 0.479 nan 8.270 nan 0.000 0.436 443 E N 0.907 121.089 120.200 -0.030 0.000 2.130 443 E HA -0.199 4.152 4.350 0.001 0.000 0.196 443 E C 1.591 178.208 176.600 0.029 0.000 0.998 443 E CA 1.282 57.685 56.400 0.005 0.000 0.806 443 E CB 0.080 29.780 29.700 -0.000 0.000 0.738 443 E HN 0.290 nan 8.360 nan 0.000 0.459 444 M N 0.010 119.607 119.600 -0.005 0.000 2.561 444 M HA 0.026 4.506 4.480 0.001 0.000 0.238 444 M C -0.283 176.118 176.300 0.168 0.000 1.131 444 M CA 0.253 55.596 55.300 0.071 0.000 1.046 444 M CB 0.595 33.221 32.600 0.043 0.000 1.532 444 M HN -0.147 nan 8.290 nan 0.000 0.497 445 K N -0.284 120.196 120.400 0.133 0.000 3.125 445 K HA -0.183 4.138 4.320 0.001 0.000 0.268 445 K C -1.188 175.569 176.600 0.262 0.000 1.078 445 K CA 0.596 56.975 56.287 0.154 0.000 0.775 445 K CB -2.686 29.876 32.500 0.104 0.000 1.253 445 K HN 0.288 nan 8.250 nan 0.000 0.486 446 Y N 1.341 121.690 120.300 0.081 0.000 2.702 446 Y HA -0.048 4.502 4.550 0.001 0.000 0.336 446 Y C 1.888 177.872 175.900 0.140 0.000 1.235 446 Y CA 0.094 58.289 58.100 0.159 0.000 1.492 446 Y CB 0.407 38.972 38.460 0.176 0.000 1.308 446 Y HN 0.181 nan 8.280 nan 0.000 0.589 447 Q N 0.961 120.879 119.800 0.196 0.000 2.526 447 Q HA 0.227 4.567 4.340 0.001 0.000 0.207 447 Q C 0.284 176.395 176.000 0.185 0.000 1.078 447 Q CA -0.304 55.527 55.803 0.046 0.000 1.041 447 Q CB 0.382 28.980 28.738 -0.233 0.000 1.228 447 Q HN 0.781 nan 8.270 nan 0.000 0.603 448 S N -0.290 115.463 115.700 0.089 0.000 2.614 448 S HA 0.044 4.515 4.470 0.001 0.000 0.265 448 S C 0.930 175.639 174.600 0.181 0.000 1.303 448 S CA -0.672 57.600 58.200 0.121 0.000 1.000 448 S CB 0.581 63.807 63.200 0.043 0.000 0.935 448 S HN 0.641 nan 8.310 nan 0.000 0.551 449 L N 1.361 122.667 121.223 0.138 0.000 1.997 449 L HA -0.184 4.156 4.340 0.001 0.000 0.216 449 L C 1.935 178.871 176.870 0.110 0.000 1.074 449 L CA 2.124 57.045 54.840 0.134 0.000 0.763 449 L CB -1.413 40.679 42.059 0.056 0.000 0.890 449 L HN 0.755 nan 8.230 nan 0.000 0.434 450 N N -0.476 118.246 118.700 0.037 0.000 2.244 450 N HA -0.136 4.605 4.740 0.001 0.000 0.183 450 N C 1.729 177.226 175.510 -0.022 0.000 1.016 450 N CA 1.074 54.118 53.050 -0.011 0.000 0.866 450 N CB -0.207 38.256 38.487 -0.040 0.000 0.980 450 N HN 0.455 nan 8.380 nan 0.000 0.430 451 E N 0.106 120.283 120.200 -0.039 0.000 2.077 451 E HA -0.138 4.212 4.350 0.001 0.000 0.193 451 E C 1.677 178.208 176.600 -0.116 0.000 0.989 451 E CA 0.919 57.246 56.400 -0.122 0.000 0.800 451 E CB -0.423 29.150 29.700 -0.212 0.000 0.746 451 E HN 0.490 nan 8.360 nan 0.000 0.452 452 Y N 0.734 121.038 120.300 0.007 0.000 2.314 452 Y HA -0.027 4.523 4.550 0.001 0.000 0.293 452 Y C 2.510 178.459 175.900 0.082 0.000 1.129 452 Y CA 0.904 59.040 58.100 0.059 0.000 1.201 452 Y CB -0.034 38.433 38.460 0.012 0.000 0.999 452 Y HN -0.038 nan 8.280 nan 0.000 0.541 453 R N 0.029 120.615 120.500 0.142 0.000 2.073 453 R HA -0.175 4.165 4.340 0.001 0.000 0.234 453 R C 2.160 178.489 176.300 0.049 0.000 1.134 453 R CA 1.656 57.784 56.100 0.047 0.000 0.952 453 R CB -0.222 30.025 30.300 -0.089 0.000 0.850 453 R HN 0.172 nan 8.270 nan 0.000 0.433 454 K N 0.151 120.551 120.400 0.001 0.000 2.032 454 K HA -0.209 4.111 4.320 0.001 0.000 0.209 454 K C 2.069 178.663 176.600 -0.011 0.000 1.048 454 K CA 1.562 57.830 56.287 -0.032 0.000 0.927 454 K CB -0.104 32.351 32.500 -0.075 0.000 0.712 454 K HN -0.109 nan 8.250 nan 0.000 0.441 455 R N 0.129 120.642 120.500 0.022 0.000 2.152 455 R HA -0.076 4.265 4.340 0.001 0.000 0.232 455 R C 0.486 176.707 176.300 -0.131 0.000 1.117 455 R CA 1.468 57.547 56.100 -0.035 0.000 0.981 455 R CB -0.274 30.036 30.300 0.016 0.000 0.870 455 R HN 0.149 nan 8.270 nan 0.000 0.451 456 F N 0.389 120.304 119.950 -0.058 0.000 2.925 456 F HA 0.296 4.823 4.527 0.001 0.000 0.302 456 F C 0.374 176.141 175.800 -0.056 0.000 1.189 456 F CA -0.216 57.731 58.000 -0.087 0.000 1.346 456 F CB 0.387 39.334 39.000 -0.088 0.000 0.954 456 F HN -0.089 nan 8.300 nan 0.000 0.506 457 S N 0.763 116.496 115.700 0.054 0.000 3.587 457 S HA -0.195 4.276 4.470 0.001 0.000 0.337 457 S C -0.023 174.606 174.600 0.048 0.000 1.119 457 S CA 0.335 58.571 58.200 0.060 0.000 0.976 457 S CB -1.814 61.458 63.200 0.119 0.000 0.922 457 S HN 0.321 nan 8.310 nan 0.000 0.503 458 L N 0.323 121.560 121.223 0.024 0.000 2.330 458 L HA 0.508 4.848 4.340 0.001 0.000 0.271 458 L C 0.559 177.379 176.870 -0.084 0.000 1.013 458 L CA -0.771 54.049 54.840 -0.033 0.000 0.816 458 L CB 1.097 43.121 42.059 -0.058 0.000 1.287 458 L HN -0.021 nan 8.230 nan 0.000 0.435 459 K N 2.217 122.542 120.400 -0.125 0.000 2.297 459 K HA 0.308 4.629 4.320 0.001 0.000 0.286 459 K C -2.313 174.149 176.600 -0.231 0.000 1.053 459 K CA -1.640 54.566 56.287 -0.134 0.000 0.940 459 K CB 1.085 33.527 32.500 -0.098 0.000 1.019 459 K HN 0.199 nan 8.250 nan 0.000 0.475 460 P HA -0.100 nan 4.420 nan 0.000 0.266 460 P C -0.956 176.236 177.300 -0.180 0.000 1.193 460 P CA 0.397 63.389 63.100 -0.181 0.000 0.770 460 P CB 0.255 31.898 31.700 -0.095 0.000 0.836 461 Y N 0.274 120.527 120.300 -0.078 0.000 2.359 461 Y HA 0.093 4.644 4.550 0.001 0.000 0.330 461 Y C 2.102 177.930 175.900 -0.120 0.000 1.143 461 Y CA 0.198 58.238 58.100 -0.099 0.000 1.318 461 Y CB 0.598 38.979 38.460 -0.133 0.000 1.234 461 Y HN 0.400 nan 8.280 nan 0.000 0.522 462 T N -2.517 112.092 114.554 0.092 0.000 3.022 462 T HA 0.176 4.527 4.350 0.001 0.000 0.250 462 T C 0.228 174.916 174.700 -0.021 0.000 1.060 462 T CA 0.371 62.480 62.100 0.014 0.000 1.013 462 T CB -0.010 68.872 68.868 0.024 0.000 0.982 462 T HN 0.504 nan 8.240 nan 0.000 0.508 463 S N -1.022 114.653 115.700 -0.042 0.000 2.588 463 S HA 0.589 5.059 4.470 0.001 0.000 0.269 463 S C -0.123 174.378 174.600 -0.165 0.000 1.157 463 S CA -0.932 57.223 58.200 -0.074 0.000 0.824 463 S CB 0.351 63.565 63.200 0.023 0.000 1.126 463 S HN -0.058 nan 8.310 nan 0.000 0.464 464 F N 1.068 120.991 119.950 -0.045 0.000 2.216 464 F HA 0.061 4.589 4.527 0.001 0.000 0.300 464 F C 2.517 178.243 175.800 -0.123 0.000 1.085 464 F CA 1.475 59.421 58.000 -0.090 0.000 1.326 464 F CB -0.259 38.712 39.000 -0.048 0.000 1.027 464 F HN 0.693 nan 8.300 nan 0.000 0.497 465 E N -0.163 120.093 120.200 0.093 0.000 2.204 465 E HA -0.215 4.136 4.350 0.001 0.000 0.194 465 E C 2.013 178.579 176.600 -0.056 0.000 0.989 465 E CA 0.819 57.229 56.400 0.018 0.000 0.824 465 E CB -0.187 29.532 29.700 0.031 0.000 0.756 465 E HN 0.507 nan 8.360 nan 0.000 0.477 466 E N 0.647 120.793 120.200 -0.090 0.000 2.208 466 E HA -0.159 4.191 4.350 0.001 0.000 0.193 466 E C 2.071 178.432 176.600 -0.399 0.000 0.988 466 E CA 0.266 56.594 56.400 -0.119 0.000 0.828 466 E CB 0.167 29.874 29.700 0.012 0.000 0.763 466 E HN 0.109 nan 8.360 nan 0.000 0.478 467 L N 0.691 121.548 121.223 -0.610 0.000 2.023 467 L HA -0.105 4.235 4.340 0.001 0.000 0.205 467 L C 2.476 179.090 176.870 -0.426 0.000 1.073 467 L CA 2.589 56.870 54.840 -0.932 0.000 0.745 467 L CB -0.865 40.791 42.059 -0.673 0.000 0.900 467 L HN 0.192 nan 8.230 nan 0.000 0.435 468 T N -3.951 110.473 114.554 -0.218 0.000 3.035 468 T HA 0.238 4.588 4.350 0.001 0.000 0.259 468 T C 1.596 176.242 174.700 -0.091 0.000 1.078 468 T CA 0.515 62.543 62.100 -0.120 0.000 1.132 468 T CB -0.412 68.421 68.868 -0.058 0.000 0.900 468 T HN 0.743 nan 8.240 nan 0.000 0.480 469 G N 1.761 110.509 108.800 -0.087 0.000 2.155 469 G HA2 -0.195 3.765 3.960 0.001 0.000 0.257 469 G HA3 -0.195 3.765 3.960 0.001 0.000 0.257 469 G C -0.133 174.748 174.900 -0.032 0.000 0.983 469 G CA 0.723 45.794 45.100 -0.049 0.000 0.676 469 G HN 1.004 nan 8.290 nan 0.000 0.528 470 E N -2.112 118.070 120.200 -0.031 0.000 2.442 470 E HA 0.814 5.165 4.350 0.001 0.000 0.261 470 E C 0.824 177.416 176.600 -0.013 0.000 0.935 470 E CA -0.811 55.576 56.400 -0.021 0.000 0.856 470 E CB 0.284 29.969 29.700 -0.025 0.000 1.571 470 E HN -0.001 nan 8.360 nan 0.000 0.431 471 K N -0.435 119.958 120.400 -0.011 0.000 2.367 471 K HA 0.130 4.450 4.320 0.001 0.000 0.198 471 K C 1.669 178.261 176.600 -0.014 0.000 1.132 471 K CA 0.434 56.717 56.287 -0.007 0.000 0.941 471 K CB 0.387 32.883 32.500 -0.006 0.000 1.052 471 K HN 0.592 nan 8.250 nan 0.000 0.507 472 E N 1.678 121.868 120.200 -0.018 0.000 2.028 472 E HA -0.082 4.268 4.350 0.001 0.000 0.191 472 E C 2.050 178.632 176.600 -0.030 0.000 0.988 472 E CA 1.053 57.440 56.400 -0.023 0.000 0.799 472 E CB 0.101 29.789 29.700 -0.021 0.000 0.755 472 E HN 0.120 nan 8.360 nan 0.000 0.447 473 M N 0.283 119.867 119.600 -0.027 0.000 2.175 473 M HA -0.109 4.372 4.480 0.001 0.000 0.264 473 M C 2.440 178.719 176.300 -0.036 0.000 1.063 473 M CA 1.246 56.529 55.300 -0.028 0.000 1.119 473 M CB -0.164 32.422 32.600 -0.022 0.000 1.377 473 M HN 0.221 nan 8.290 nan 0.000 0.415 474 A N 0.728 123.536 122.820 -0.020 0.000 1.892 474 A HA -0.162 4.158 4.320 0.001 0.000 0.218 474 A C 2.374 179.894 177.584 -0.106 0.000 1.188 474 A CA 2.230 54.264 52.037 -0.004 0.000 0.631 474 A CB -1.036 17.993 19.000 0.048 0.000 0.822 474 A HN 0.511 nan 8.150 nan 0.000 0.447 475 A N -0.791 121.983 122.820 -0.076 0.000 1.933 475 A HA -0.129 4.192 4.320 0.001 0.000 0.218 475 A C 1.958 179.462 177.584 -0.133 0.000 1.175 475 A CA 1.624 53.604 52.037 -0.094 0.000 0.628 475 A CB -0.390 18.579 19.000 -0.052 0.000 0.814 475 A HN 0.513 nan 8.150 nan 0.000 0.444 476 E N 0.044 120.177 120.200 -0.112 0.000 2.072 476 E HA -0.124 4.227 4.350 0.001 0.000 0.191 476 E C 2.076 178.579 176.600 -0.160 0.000 0.985 476 E CA 0.936 57.272 56.400 -0.106 0.000 0.801 476 E CB -0.403 29.259 29.700 -0.064 0.000 0.750 476 E HN 0.668 nan 8.360 nan 0.000 0.452 477 L N 0.841 121.933 121.223 -0.218 0.000 2.056 477 L HA -0.182 4.159 4.340 0.001 0.000 0.207 477 L C 2.687 179.125 176.870 -0.721 0.000 1.078 477 L CA 1.315 55.977 54.840 -0.297 0.000 0.749 477 L CB -0.364 41.553 42.059 -0.238 0.000 0.901 477 L HN 0.079 nan 8.230 nan 0.000 0.433 478 K N 0.697 120.502 120.400 -0.991 0.000 2.032 478 K HA -0.197 4.124 4.320 0.001 0.000 0.209 478 K C 2.037 178.448 176.600 -0.315 0.000 1.048 478 K CA 1.590 57.369 56.287 -0.846 0.000 0.927 478 K CB -0.208 32.055 32.500 -0.396 0.000 0.712 478 K HN 0.224 nan 8.250 nan 0.000 0.441 479 A N 0.625 123.314 122.820 -0.219 0.000 2.070 479 A HA -0.050 4.270 4.320 0.001 0.000 0.220 479 A C 2.035 179.549 177.584 -0.117 0.000 1.159 479 A CA 1.215 53.178 52.037 -0.122 0.000 0.656 479 A CB -0.399 18.542 19.000 -0.098 0.000 0.800 479 A HN 0.369 nan 8.150 nan 0.000 0.453 480 L N -3.192 117.939 121.223 -0.155 0.000 2.221 480 L HA 0.018 4.359 4.340 0.001 0.000 0.202 480 L C 2.190 178.919 176.870 -0.234 0.000 1.074 480 L CA 0.954 55.668 54.840 -0.210 0.000 0.795 480 L CB -0.166 41.728 42.059 -0.275 0.000 0.960 480 L HN 0.469 nan 8.230 nan 0.000 0.458 481 Y N -1.648 118.617 120.300 -0.059 0.000 2.507 481 Y HA 0.049 4.600 4.550 0.001 0.000 0.263 481 Y C 1.967 177.942 175.900 0.126 0.000 1.093 481 Y CA 0.494 58.642 58.100 0.081 0.000 1.285 481 Y CB 0.695 39.304 38.460 0.249 0.000 1.115 481 Y HN 0.064 nan 8.280 nan 0.000 0.533 482 S N -0.906 114.924 115.700 0.216 0.000 1.619 482 S HA -0.276 4.194 4.470 0.001 0.000 0.235 482 S C -0.050 174.744 174.600 0.324 0.000 0.805 482 S CA 1.780 60.096 58.200 0.193 0.000 1.403 482 S CB -1.200 62.077 63.200 0.128 0.000 1.782 482 S HN 0.522 nan 8.310 nan 0.000 0.524 483 D N 0.430 121.040 120.400 0.350 0.000 2.408 483 D HA 0.571 5.212 4.640 0.001 0.000 0.243 483 D C 0.630 177.016 176.300 0.143 0.000 1.075 483 D CA -0.509 53.634 54.000 0.240 0.000 0.832 483 D CB 1.208 42.089 40.800 0.134 0.000 1.162 483 D HN 0.109 nan 8.370 nan 0.000 0.515 484 I N 3.025 123.486 120.570 -0.182 0.000 2.315 484 I HA -0.204 3.966 4.170 0.001 0.000 0.251 484 I C 1.057 177.001 176.117 -0.288 0.000 1.125 484 I CA 1.516 62.414 61.300 -0.669 0.000 1.392 484 I CB 0.001 37.628 38.000 -0.621 0.000 1.065 484 I HN 0.367 nan 8.210 nan 0.000 0.424 485 D N -0.565 119.765 120.400 -0.117 0.000 2.363 485 D HA 0.020 4.661 4.640 0.001 0.000 0.226 485 D C 1.834 178.122 176.300 -0.019 0.000 1.020 485 D CA 0.563 54.527 54.000 -0.060 0.000 0.892 485 D CB 0.284 41.066 40.800 -0.030 0.000 0.900 485 D HN 0.280 nan 8.370 nan 0.000 0.531 486 V N 0.331 120.250 119.914 0.009 0.000 3.528 486 V HA 0.130 4.250 4.120 0.001 0.000 0.294 486 V C 0.611 176.717 176.094 0.020 0.000 1.404 486 V CA -0.232 62.116 62.300 0.079 0.000 1.065 486 V CB 0.111 32.043 31.823 0.181 0.000 0.904 486 V HN 0.088 nan 8.190 nan 0.000 0.435 487 M N 1.577 121.081 119.600 -0.161 0.000 2.249 487 M HA 0.144 4.624 4.480 0.001 0.000 0.340 487 M C 0.209 176.385 176.300 -0.208 0.000 1.166 487 M CA 0.534 55.571 55.300 -0.439 0.000 1.115 487 M CB -0.108 32.272 32.600 -0.366 0.000 1.606 487 M HN 0.277 nan 8.290 nan 0.000 0.448 488 E N 3.396 123.469 120.200 -0.212 0.000 2.277 488 E HA 0.132 4.483 4.350 0.001 0.000 0.274 488 E C 0.531 177.163 176.600 0.054 0.000 1.022 488 E CA -0.622 55.800 56.400 0.036 0.000 0.853 488 E CB 1.131 30.917 29.700 0.144 0.000 1.086 488 E HN 0.782 nan 8.360 nan 0.000 0.397 489 L N 3.219 124.523 121.223 0.135 0.000 1.970 489 L HA -0.246 4.095 4.340 0.001 0.000 0.212 489 L C 2.070 178.986 176.870 0.077 0.000 1.071 489 L CA 1.956 56.854 54.840 0.097 0.000 0.751 489 L CB -0.739 41.359 42.059 0.065 0.000 0.889 489 L HN 0.708 nan 8.230 nan 0.000 0.432 490 Y N 1.066 121.371 120.300 0.008 0.000 2.097 490 Y HA -0.126 4.425 4.550 0.001 0.000 0.282 490 Y C -0.579 175.326 175.900 0.009 0.000 1.152 490 Y CA 1.916 60.004 58.100 -0.019 0.000 1.136 490 Y CB -1.920 36.501 38.460 -0.064 0.000 0.975 490 Y HN 0.266 nan 8.280 nan 0.000 0.498 491 P HA -0.131 nan 4.420 nan 0.000 0.217 491 P C 1.441 178.638 177.300 -0.170 0.000 1.150 491 P CA 2.390 65.371 63.100 -0.198 0.000 0.832 491 P CB -0.378 31.340 31.700 0.030 0.000 0.787 492 A N -0.476 122.282 122.820 -0.103 0.000 1.972 492 A HA -0.158 4.162 4.320 0.001 0.000 0.219 492 A C 2.235 179.761 177.584 -0.097 0.000 1.169 492 A CA 1.302 53.291 52.037 -0.079 0.000 0.635 492 A CB -1.655 17.324 19.000 -0.036 0.000 0.810 492 A HN 0.119 nan 8.150 nan 0.000 0.446 493 L N -0.672 120.469 121.223 -0.138 0.000 2.017 493 L HA -0.159 4.181 4.340 0.001 0.000 0.208 493 L C 2.240 179.019 176.870 -0.151 0.000 1.073 493 L CA 1.140 55.899 54.840 -0.136 0.000 0.745 493 L CB -0.408 41.571 42.059 -0.134 0.000 0.894 493 L HN 0.369 nan 8.230 nan 0.000 0.432 494 L N -1.372 119.712 121.223 -0.231 0.000 2.552 494 L HA -0.052 4.288 4.340 0.001 0.000 0.227 494 L C 1.847 178.651 176.870 -0.109 0.000 1.146 494 L CA 0.186 54.925 54.840 -0.169 0.000 0.858 494 L CB 0.129 42.050 42.059 -0.231 0.000 0.969 494 L HN 0.113 nan 8.230 nan 0.000 0.451 495 V N -1.033 118.818 119.914 -0.105 0.000 3.635 495 V HA 0.046 4.166 4.120 0.001 0.000 0.266 495 V C 1.129 177.176 176.094 -0.077 0.000 1.316 495 V CA -0.027 62.228 62.300 -0.076 0.000 1.060 495 V CB 0.709 32.497 31.823 -0.059 0.000 0.820 495 V HN 0.326 nan 8.190 nan 0.000 0.447 496 E N 1.766 121.917 120.200 -0.081 0.000 2.418 496 E HA -0.029 4.321 4.350 0.001 0.000 0.261 496 E C 0.366 176.922 176.600 -0.073 0.000 1.070 496 E CA -0.222 56.126 56.400 -0.088 0.000 0.931 496 E CB 0.432 30.107 29.700 -0.040 0.000 0.954 496 E HN 0.283 nan 8.360 nan 0.000 0.439 497 K N 4.639 124.989 120.400 -0.085 0.000 2.436 497 K HA 0.112 4.432 4.320 0.001 0.000 0.282 497 K C -2.323 174.261 176.600 -0.027 0.000 1.044 497 K CA -1.343 54.911 56.287 -0.054 0.000 1.028 497 K CB 0.396 32.865 32.500 -0.051 0.000 0.919 497 K HN 0.238 nan 8.250 nan 0.000 0.474 498 P HA 0.133 nan 4.420 nan 0.000 0.275 498 P C -0.765 176.520 177.300 -0.024 0.000 1.228 498 P CA -0.413 62.665 63.100 -0.037 0.000 0.786 498 P CB 0.598 32.258 31.700 -0.066 0.000 0.927 499 R N 3.236 123.714 120.500 -0.036 0.000 2.802 499 R HA 0.058 4.398 4.340 0.001 0.000 0.264 499 R C -1.904 174.403 176.300 0.011 0.000 0.996 499 R CA -0.590 55.500 56.100 -0.017 0.000 1.123 499 R CB -1.407 28.822 30.300 -0.119 0.000 0.996 499 R HN 0.403 nan 8.270 nan 0.000 0.444 500 P HA -0.074 nan 4.420 nan 0.000 0.258 500 P C -0.886 176.419 177.300 0.008 0.000 1.187 500 P CA 0.715 63.850 63.100 0.058 0.000 0.767 500 P CB 0.272 32.046 31.700 0.124 0.000 0.770 501 D N -0.035 120.345 120.400 -0.033 0.000 2.983 501 D HA -0.218 4.422 4.640 0.001 0.000 0.225 501 D C 0.332 176.559 176.300 -0.122 0.000 1.174 501 D CA 1.408 55.363 54.000 -0.075 0.000 0.831 501 D CB -1.112 39.647 40.800 -0.068 0.000 1.104 501 D HN 0.478 nan 8.370 nan 0.000 0.421 502 A N -0.041 122.704 122.820 -0.126 0.000 2.269 502 A HA 0.673 4.993 4.320 0.001 0.000 0.327 502 A C 1.290 178.700 177.584 -0.291 0.000 1.112 502 A CA -0.391 51.520 52.037 -0.209 0.000 0.865 502 A CB 1.109 20.014 19.000 -0.159 0.000 1.227 502 A HN 0.132 nan 8.150 nan 0.000 0.498 503 I N -1.110 119.165 120.570 -0.492 0.000 2.716 503 I HA 0.141 4.311 4.170 0.001 0.000 0.259 503 I C -0.590 175.221 176.117 -0.510 0.000 1.172 503 I CA 0.621 61.539 61.300 -0.635 0.000 1.478 503 I CB -0.066 37.323 38.000 -1.018 0.000 1.104 503 I HN 0.468 nan 8.210 nan 0.000 0.439 504 F N -0.152 119.629 119.950 -0.281 0.000 2.594 504 F HA 0.643 5.170 4.527 0.001 0.000 0.335 504 F C 0.831 176.523 175.800 -0.181 0.000 1.058 504 F CA -1.338 56.512 58.000 -0.250 0.000 0.981 504 F CB 0.374 39.216 39.000 -0.264 0.000 1.289 504 F HN -0.247 nan 8.300 nan 0.000 0.490 505 G N -0.537 108.315 108.800 0.086 0.000 2.531 505 G HA2 0.281 4.241 3.960 0.001 0.000 0.313 505 G HA3 0.281 4.241 3.960 0.001 0.000 0.313 505 G C 0.582 175.493 174.900 0.017 0.000 1.238 505 G CA -0.354 44.762 45.100 0.025 0.000 0.994 505 G HN 0.743 nan 8.290 nan 0.000 0.493 506 E N -0.878 119.337 120.200 0.025 0.000 2.085 506 E HA -0.177 4.173 4.350 0.001 0.000 0.194 506 E C 2.221 178.816 176.600 -0.010 0.000 0.994 506 E CA 1.859 58.264 56.400 0.008 0.000 0.801 506 E CB -0.178 29.546 29.700 0.041 0.000 0.743 506 E HN 0.463 nan 8.360 nan 0.000 0.453 507 T N 1.033 115.589 114.554 0.004 0.000 2.708 507 T HA -0.208 4.143 4.350 0.001 0.000 0.266 507 T C 1.756 176.393 174.700 -0.106 0.000 1.037 507 T CA 1.605 63.679 62.100 -0.044 0.000 1.146 507 T CB -0.291 68.577 68.868 0.000 0.000 0.865 507 T HN 0.190 nan 8.240 nan 0.000 0.435 508 M N 1.331 120.860 119.600 -0.117 0.000 2.082 508 M HA -0.098 4.382 4.480 0.001 0.000 0.258 508 M C 2.098 178.295 176.300 -0.172 0.000 1.069 508 M CA 1.507 56.681 55.300 -0.210 0.000 1.102 508 M CB -0.661 31.686 32.600 -0.422 0.000 1.336 508 M HN 0.078 nan 8.290 nan 0.000 0.404 509 V N 0.154 120.014 119.914 -0.090 0.000 2.307 509 V HA -0.215 3.905 4.120 0.001 0.000 0.245 509 V C 2.431 178.518 176.094 -0.012 0.000 1.045 509 V CA 1.918 64.216 62.300 -0.003 0.000 1.024 509 V CB -0.944 30.896 31.823 0.029 0.000 0.651 509 V HN 0.431 nan 8.190 nan 0.000 0.449 510 E N -0.010 120.166 120.200 -0.041 0.000 2.152 510 E HA -0.055 4.295 4.350 0.001 0.000 0.192 510 E C 2.194 178.707 176.600 -0.145 0.000 0.983 510 E CA 0.828 57.210 56.400 -0.030 0.000 0.818 510 E CB -0.151 29.552 29.700 0.005 0.000 0.758 510 E HN 0.467 nan 8.360 nan 0.000 0.467 511 L N -0.407 120.607 121.223 -0.349 0.000 2.131 511 L HA 0.020 4.360 4.340 0.001 0.000 0.206 511 L C 2.315 179.035 176.870 -0.250 0.000 1.087 511 L CA 1.316 55.726 54.840 -0.718 0.000 0.767 511 L CB -0.826 40.842 42.059 -0.652 0.000 0.917 511 L HN 0.159 nan 8.230 nan 0.000 0.441 512 G N -0.291 108.494 108.800 -0.026 0.000 2.396 512 G HA2 -0.117 3.843 3.960 0.001 0.000 0.214 512 G HA3 -0.117 3.843 3.960 0.001 0.000 0.214 512 G C 1.808 176.806 174.900 0.163 0.000 1.166 512 G CA 0.717 45.940 45.100 0.204 0.000 0.793 512 G HN 0.407 nan 8.290 nan 0.000 0.533 513 A N 1.702 124.573 122.820 0.085 0.000 1.883 513 A HA 0.041 4.361 4.320 0.001 0.000 0.217 513 A C 0.741 178.340 177.584 0.025 0.000 1.186 513 A CA 2.047 54.143 52.037 0.098 0.000 0.624 513 A CB -1.135 17.919 19.000 0.092 0.000 0.822 513 A HN 0.384 nan 8.150 nan 0.000 0.444 514 P HA -0.075 nan 4.420 nan 0.000 0.215 514 P C 1.205 178.375 177.300 -0.217 0.000 1.157 514 P CA 0.939 63.939 63.100 -0.166 0.000 0.859 514 P CB -0.215 31.335 31.700 -0.251 0.000 0.786 515 F N -0.360 119.426 119.950 -0.274 0.000 2.134 515 F HA -0.173 4.354 4.527 0.001 0.000 0.299 515 F C 2.739 178.153 175.800 -0.643 0.000 1.097 515 F CA 1.346 58.956 58.000 -0.650 0.000 1.264 515 F CB -0.822 37.324 39.000 -1.424 0.000 1.001 515 F HN -0.035 nan 8.300 nan 0.000 0.479 516 S N 0.707 116.296 115.700 -0.185 0.000 2.345 516 S HA -0.149 4.321 4.470 0.001 0.000 0.220 516 S C 2.009 176.706 174.600 0.162 0.000 1.031 516 S CA 1.164 59.480 58.200 0.194 0.000 0.996 516 S CB -0.503 62.967 63.200 0.450 0.000 0.882 516 S HN 0.313 nan 8.310 nan 0.000 0.445 517 L N 0.945 122.239 121.223 0.119 0.000 2.141 517 L HA -0.015 4.326 4.340 0.001 0.000 0.209 517 L C 2.915 179.869 176.870 0.140 0.000 1.094 517 L CA 1.051 55.965 54.840 0.124 0.000 0.763 517 L CB -0.439 41.678 42.059 0.096 0.000 0.908 517 L HN 0.240 nan 8.230 nan 0.000 0.437 518 K N 0.495 120.957 120.400 0.104 0.000 2.097 518 K HA -0.099 4.221 4.320 0.001 0.000 0.206 518 K C 1.994 178.662 176.600 0.112 0.000 1.049 518 K CA 1.466 57.833 56.287 0.133 0.000 0.933 518 K CB -0.394 32.123 32.500 0.029 0.000 0.717 518 K HN 0.373 nan 8.250 nan 0.000 0.442 519 G N 0.595 109.421 108.800 0.044 0.000 2.464 519 G HA2 -0.139 3.822 3.960 0.001 0.000 0.217 519 G HA3 -0.139 3.822 3.960 0.001 0.000 0.217 519 G C 1.445 176.390 174.900 0.075 0.000 1.138 519 G CA 0.058 45.154 45.100 -0.007 0.000 0.793 519 G HN 0.098 nan 8.290 nan 0.000 0.539 520 L N 0.370 121.673 121.223 0.133 0.000 2.007 520 L HA 0.188 4.529 4.340 0.001 0.000 0.205 520 L C 2.767 179.738 176.870 0.168 0.000 1.073 520 L CA 1.250 56.173 54.840 0.139 0.000 0.744 520 L CB -0.742 41.391 42.059 0.122 0.000 0.898 520 L HN 0.143 nan 8.230 nan 0.000 0.435 521 M N -1.150 118.576 119.600 0.210 0.000 2.447 521 M HA 0.112 4.592 4.480 0.001 0.000 0.264 521 M C 2.085 178.666 176.300 0.470 0.000 1.095 521 M CA 0.870 56.320 55.300 0.250 0.000 1.125 521 M CB -1.640 30.978 32.600 0.031 0.000 1.389 521 M HN 0.266 nan 8.290 nan 0.000 0.459 522 G N 0.693 109.757 108.800 0.440 0.000 2.484 522 G HA2 -0.151 3.809 3.960 0.001 0.000 0.218 522 G HA3 -0.151 3.809 3.960 0.001 0.000 0.218 522 G C 0.896 175.988 174.900 0.321 0.000 1.130 522 G CA -0.085 45.236 45.100 0.368 0.000 0.784 522 G HN 0.444 nan 8.290 nan 0.000 0.543 523 N N 1.276 120.124 118.700 0.246 0.000 2.293 523 N HA -0.010 4.730 4.740 0.001 0.000 0.253 523 N C -1.017 174.583 175.510 0.150 0.000 1.248 523 N CA -0.859 52.292 53.050 0.167 0.000 0.845 523 N CB 1.746 40.329 38.487 0.160 0.000 1.073 523 N HN -0.011 nan 8.380 nan 0.000 0.464 524 P HA -0.149 nan 4.420 nan 0.000 0.218 524 P C 1.485 178.577 177.300 -0.346 0.000 1.149 524 P CA 1.203 64.156 63.100 -0.245 0.000 0.817 524 P CB -0.202 31.212 31.700 -0.476 0.000 0.785 525 I N -3.375 117.130 120.570 -0.108 0.000 2.850 525 I HA -0.126 4.045 4.170 0.001 0.000 0.266 525 I C 1.462 177.858 176.117 0.464 0.000 1.257 525 I CA 1.268 62.725 61.300 0.263 0.000 1.465 525 I CB -1.207 37.137 38.000 0.574 0.000 1.091 525 I HN -0.155 nan 8.210 nan 0.000 0.467 526 C N 1.275 120.718 119.300 0.238 0.000 2.696 526 C HA 0.202 4.663 4.460 0.001 0.000 0.264 526 C C 1.722 176.743 174.990 0.051 0.000 1.288 526 C CA 0.239 59.346 59.018 0.148 0.000 1.717 526 C CB -1.629 26.247 27.740 0.226 0.000 1.893 526 C HN 0.711 nan 8.230 nan 0.000 0.577 527 S N 1.635 117.225 115.700 -0.183 0.000 2.601 527 S HA 0.259 4.730 4.470 0.001 0.000 0.271 527 S C -1.672 172.920 174.600 -0.013 0.000 1.305 527 S CA -0.690 57.167 58.200 -0.571 0.000 1.022 527 S CB 0.935 63.799 63.200 -0.561 0.000 0.940 527 S HN 0.035 nan 8.310 nan 0.000 0.525 528 P HA -0.139 nan 4.420 nan 0.000 0.215 528 P C 1.530 178.798 177.300 -0.055 0.000 1.157 528 P CA 1.224 64.121 63.100 -0.339 0.000 0.874 528 P CB 0.003 31.371 31.700 -0.553 0.000 0.790 529 Q N -2.216 117.572 119.800 -0.020 0.000 2.364 529 Q HA -0.118 4.223 4.340 0.001 0.000 0.209 529 Q C 1.794 177.763 176.000 -0.052 0.000 0.977 529 Q CA 1.346 57.128 55.803 -0.035 0.000 0.885 529 Q CB -0.545 28.170 28.738 -0.037 0.000 0.941 529 Q HN 0.495 nan 8.270 nan 0.000 0.464 530 Y N -2.283 118.019 120.300 0.003 0.000 2.522 530 Y HA 0.015 4.565 4.550 0.001 0.000 0.277 530 Y C 1.068 177.029 175.900 0.103 0.000 1.104 530 Y CA -0.265 57.844 58.100 0.016 0.000 1.260 530 Y CB 0.384 38.896 38.460 0.088 0.000 1.151 530 Y HN 0.169 nan 8.280 nan 0.000 0.539 531 W N 4.862 126.298 121.300 0.227 0.000 1.606 531 W HA 0.248 4.909 4.660 0.001 0.000 0.455 531 W C -0.781 175.854 176.519 0.192 0.000 0.711 531 W CA 0.044 57.609 57.345 0.366 0.000 1.876 531 W CB -0.482 29.286 29.460 0.512 0.000 1.776 531 W HN 0.063 nan 8.180 nan 0.000 0.229 532 K N 2.584 122.764 120.400 -0.367 0.000 2.568 532 K HA 0.362 4.682 4.320 0.001 0.000 0.273 532 K C -2.666 173.404 176.600 -0.882 0.000 0.951 532 K CA -1.459 54.442 56.287 -0.643 0.000 0.854 532 K CB 1.476 33.804 32.500 -0.287 0.000 1.424 532 K HN -0.286 nan 8.250 nan 0.000 0.427 533 P HA -0.286 nan 4.420 nan 0.000 0.216 533 P C 1.061 178.200 177.300 -0.268 0.000 1.157 533 P CA 2.109 64.845 63.100 -0.607 0.000 0.880 533 P CB 0.015 31.540 31.700 -0.292 0.000 0.791 534 S N -2.271 113.281 115.700 -0.248 0.000 2.447 534 S HA -0.098 4.373 4.470 0.001 0.000 0.233 534 S C 1.859 176.336 174.600 -0.204 0.000 1.006 534 S CA 1.519 59.638 58.200 -0.136 0.000 0.957 534 S CB -1.827 61.304 63.200 -0.115 0.000 0.773 534 S HN 0.126 nan 8.310 nan 0.000 0.507 535 T N 1.752 116.041 114.554 -0.442 0.000 2.759 535 T HA 0.014 4.364 4.350 0.001 0.000 0.269 535 T C 0.572 174.951 174.700 -0.535 0.000 1.042 535 T CA 1.221 62.939 62.100 -0.637 0.000 1.140 535 T CB -0.465 67.765 68.868 -1.063 0.000 0.864 535 T HN 0.632 nan 8.240 nan 0.000 0.455 536 F N 0.066 120.026 119.950 0.018 0.000 2.684 536 F HA 0.465 4.992 4.527 0.001 0.000 0.298 536 F C 1.578 177.478 175.800 0.168 0.000 1.120 536 F CA -0.445 57.623 58.000 0.113 0.000 1.332 536 F CB 0.206 39.298 39.000 0.153 0.000 0.986 536 F HN 0.187 nan 8.300 nan 0.000 0.524 537 G N 0.401 109.372 108.800 0.285 0.000 2.137 537 G HA2 0.120 4.081 3.960 0.001 0.000 0.237 537 G HA3 0.120 4.081 3.960 0.001 0.000 0.237 537 G C 0.509 175.586 174.900 0.295 0.000 1.002 537 G CA -0.026 45.284 45.100 0.349 0.000 0.702 537 G HN 1.203 nan 8.290 nan 0.000 0.515 538 G N -1.523 107.391 108.800 0.190 0.000 2.462 538 G HA2 0.250 4.210 3.960 0.001 0.000 0.685 538 G HA3 0.250 4.210 3.960 0.001 0.000 0.685 538 G C 0.322 175.305 174.900 0.138 0.000 1.295 538 G CA 0.470 45.647 45.100 0.127 0.000 0.941 538 G HN 0.462 nan 8.290 nan 0.000 0.554 539 E N -0.691 119.571 120.200 0.103 0.000 2.204 539 E HA -0.069 4.282 4.350 0.001 0.000 0.195 539 E C 2.770 179.459 176.600 0.149 0.000 0.990 539 E CA 1.438 57.927 56.400 0.149 0.000 0.821 539 E CB -0.113 29.646 29.700 0.099 0.000 0.750 539 E HN 0.400 nan 8.360 nan 0.000 0.477 540 V N 0.644 120.617 119.914 0.098 0.000 2.453 540 V HA -0.136 3.984 4.120 0.001 0.000 0.247 540 V C 2.375 178.534 176.094 0.109 0.000 1.048 540 V CA 1.854 64.198 62.300 0.073 0.000 1.049 540 V CB -0.828 31.009 31.823 0.023 0.000 0.672 540 V HN 0.301 nan 8.190 nan 0.000 0.457 541 G N -0.891 108.008 108.800 0.165 0.000 2.402 541 G HA2 -0.269 3.691 3.960 0.001 0.000 0.216 541 G HA3 -0.269 3.691 3.960 0.001 0.000 0.216 541 G C 1.538 176.567 174.900 0.216 0.000 1.162 541 G CA 0.695 45.921 45.100 0.210 0.000 0.777 541 G HN 0.403 nan 8.290 nan 0.000 0.539 542 F N 1.672 121.651 119.950 0.048 0.000 2.126 542 F HA -0.009 4.519 4.527 0.001 0.000 0.299 542 F C 2.509 178.252 175.800 -0.095 0.000 1.096 542 F CA 1.545 59.495 58.000 -0.085 0.000 1.255 542 F CB -0.265 38.715 39.000 -0.033 0.000 0.997 542 F HN 0.173 nan 8.300 nan 0.000 0.479 543 K N 0.272 120.701 120.400 0.048 0.000 2.211 543 K HA -0.136 4.184 4.320 0.001 0.000 0.203 543 K C 2.140 178.722 176.600 -0.031 0.000 1.050 543 K CA 1.337 57.601 56.287 -0.038 0.000 0.945 543 K CB -0.235 32.272 32.500 0.012 0.000 0.732 543 K HN 0.331 nan 8.250 nan 0.000 0.451 544 I N 0.827 121.401 120.570 0.007 0.000 2.315 544 I HA -0.279 3.891 4.170 0.001 0.000 0.248 544 I C 2.101 178.230 176.117 0.021 0.000 1.117 544 I CA 1.066 62.380 61.300 0.023 0.000 1.404 544 I CB -0.160 37.872 38.000 0.054 0.000 1.071 544 I HN 0.180 nan 8.210 nan 0.000 0.419 545 I N 0.761 121.319 120.570 -0.020 0.000 2.163 545 I HA -0.269 3.901 4.170 0.001 0.000 0.240 545 I C 1.963 178.112 176.117 0.054 0.000 1.081 545 I CA 1.337 62.652 61.300 0.024 0.000 1.353 545 I CB -0.515 37.450 38.000 -0.057 0.000 1.054 545 I HN 0.283 nan 8.210 nan 0.000 0.407 546 N N 0.378 119.031 118.700 -0.079 0.000 2.512 546 N HA -0.094 4.647 4.740 0.001 0.000 0.183 546 N C 1.585 177.094 175.510 -0.002 0.000 1.073 546 N CA 1.687 54.704 53.050 -0.055 0.000 0.911 546 N CB -0.149 38.196 38.487 -0.236 0.000 0.964 546 N HN 0.500 nan 8.380 nan 0.000 0.447 547 T N -3.144 111.409 114.554 -0.001 0.000 3.054 547 T HA 0.427 4.777 4.350 0.001 0.000 0.255 547 T C 0.759 175.471 174.700 0.021 0.000 1.035 547 T CA -0.417 61.688 62.100 0.008 0.000 0.941 547 T CB 0.277 69.143 68.868 -0.004 0.000 1.026 547 T HN 0.094 nan 8.240 nan 0.000 0.533 548 A N 2.002 124.850 122.820 0.045 0.000 2.520 548 A HA 0.582 4.902 4.320 0.001 0.000 0.235 548 A C 0.650 178.254 177.584 0.034 0.000 1.065 548 A CA 0.052 52.119 52.037 0.050 0.000 0.764 548 A CB -0.087 18.976 19.000 0.104 0.000 1.002 548 A HN 1.085 nan 8.150 nan 0.000 0.502 549 S N 0.996 116.692 115.700 -0.005 0.000 2.588 549 S HA 0.440 4.910 4.470 0.001 0.000 0.269 549 S C 0.404 174.945 174.600 -0.099 0.000 1.157 549 S CA -0.065 58.109 58.200 -0.045 0.000 0.824 549 S CB 0.516 63.674 63.200 -0.071 0.000 1.126 549 S HN 1.146 nan 8.310 nan 0.000 0.464 550 I N 1.410 121.876 120.570 -0.174 0.000 2.208 550 I HA -0.088 4.083 4.170 0.001 0.000 0.245 550 I C 2.507 178.465 176.117 -0.265 0.000 1.097 550 I CA 2.122 63.267 61.300 -0.258 0.000 1.363 550 I CB -0.625 37.011 38.000 -0.606 0.000 1.051 550 I HN 0.936 nan 8.210 nan 0.000 0.413 551 Q N 0.525 120.153 119.800 -0.287 0.000 2.050 551 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 551 Q C 2.454 178.340 176.000 -0.189 0.000 0.980 551 Q CA 2.694 58.331 55.803 -0.277 0.000 0.840 551 Q CB -0.639 27.930 28.738 -0.281 0.000 0.898 551 Q HN 0.680 nan 8.270 nan 0.000 0.424 552 S N -0.626 114.989 115.700 -0.143 0.000 2.387 552 S HA -0.115 4.355 4.470 0.001 0.000 0.226 552 S C 1.899 176.425 174.600 -0.123 0.000 1.026 552 S CA 0.906 59.042 58.200 -0.107 0.000 0.972 552 S CB -0.591 62.566 63.200 -0.072 0.000 0.814 552 S HN 0.418 nan 8.310 nan 0.000 0.477 553 L N 1.132 122.266 121.223 -0.150 0.000 2.013 553 L HA 0.030 4.371 4.340 0.001 0.000 0.212 553 L C 2.094 178.837 176.870 -0.211 0.000 1.073 553 L CA 1.770 56.483 54.840 -0.210 0.000 0.753 553 L CB -0.700 41.187 42.059 -0.286 0.000 0.890 553 L HN 0.305 nan 8.230 nan 0.000 0.432 554 I N -1.300 119.157 120.570 -0.187 0.000 2.546 554 I HA -0.218 3.953 4.170 0.001 0.000 0.255 554 I C 2.611 178.643 176.117 -0.141 0.000 1.163 554 I CA 1.145 62.343 61.300 -0.171 0.000 1.457 554 I CB -0.716 37.189 38.000 -0.158 0.000 1.092 554 I HN 0.507 nan 8.210 nan 0.000 0.434 555 c N 0.685 119.208 118.600 -0.129 0.000 2.505 555 c HA -0.002 4.569 4.570 0.001 0.000 0.279 555 c C 2.588 176.626 174.090 -0.087 0.000 1.316 555 c CA 0.469 56.740 56.329 -0.097 0.000 1.720 555 c CB -1.088 41.370 42.510 -0.086 0.000 2.050 555 c HN 0.482 nan 8.230 nan 0.000 0.493 556 N N 1.579 120.223 118.700 -0.093 0.000 2.459 556 N HA -0.023 4.717 4.740 0.001 0.000 0.181 556 N C 0.907 176.359 175.510 -0.097 0.000 1.046 556 N CA 0.941 53.941 53.050 -0.082 0.000 0.904 556 N CB -0.357 38.085 38.487 -0.076 0.000 0.964 556 N HN 0.674 nan 8.380 nan 0.000 0.444 557 N N -0.504 118.122 118.700 -0.123 0.000 2.239 557 N HA 0.084 4.824 4.740 0.001 0.000 0.208 557 N C -0.377 175.043 175.510 -0.151 0.000 1.200 557 N CA 0.141 53.105 53.050 -0.143 0.000 0.895 557 N CB 1.742 40.123 38.487 -0.176 0.000 1.085 557 N HN -0.104 nan 8.380 nan 0.000 0.500 558 V N 1.925 121.758 119.914 -0.134 0.000 2.459 558 V HA 0.251 4.371 4.120 0.001 0.000 0.295 558 V C 0.520 176.560 176.094 -0.090 0.000 1.029 558 V CA -1.190 61.035 62.300 -0.125 0.000 0.874 558 V CB 2.404 34.154 31.823 -0.121 0.000 0.985 558 V HN -0.017 nan 8.190 nan 0.000 0.438 559 K N 2.498 122.848 120.400 -0.083 0.000 2.527 559 K HA 0.273 4.593 4.320 0.001 0.000 0.278 559 K C 1.288 177.865 176.600 -0.038 0.000 0.981 559 K CA 1.263 57.516 56.287 -0.057 0.000 1.009 559 K CB 0.164 32.635 32.500 -0.048 0.000 0.895 559 K HN 1.182 nan 8.250 nan 0.000 0.493 560 G N 2.652 111.435 108.800 -0.028 0.000 2.184 560 G HA2 -0.367 3.594 3.960 0.001 0.000 0.264 560 G HA3 -0.367 3.594 3.960 0.001 0.000 0.264 560 G C 0.481 175.372 174.900 -0.015 0.000 0.975 560 G CA 0.130 45.221 45.100 -0.015 0.000 0.642 560 G HN 1.267 nan 8.290 nan 0.000 0.536 561 c N 0.849 119.432 118.600 -0.030 0.000 3.563 561 c HA -0.096 4.474 4.570 0.001 0.000 0.284 561 c C -0.252 173.830 174.090 -0.013 0.000 1.356 561 c CA -0.066 56.243 56.329 -0.033 0.000 2.166 561 c CB -1.890 40.602 42.510 -0.029 0.000 1.399 561 c HN 0.825 nan 8.230 nan 0.000 0.583 562 P HA 0.173 nan 4.420 nan 0.000 0.268 562 P C -0.090 177.237 177.300 0.046 0.000 1.208 562 P CA 0.108 63.227 63.100 0.031 0.000 0.777 562 P CB 0.330 32.040 31.700 0.018 0.000 0.875 563 F N 1.717 121.648 119.950 -0.031 0.000 2.484 563 F HA 0.323 4.850 4.527 0.001 0.000 0.360 563 F C 0.426 176.205 175.800 -0.036 0.000 1.101 563 F CA 0.980 58.958 58.000 -0.036 0.000 1.251 563 F CB 0.682 39.664 39.000 -0.030 0.000 1.132 563 F HN 0.228 nan 8.300 nan 0.000 0.570 564 T N 4.168 118.208 114.554 -0.857 0.000 2.883 564 T HA 0.594 4.944 4.350 0.001 0.000 0.301 564 T C -1.493 172.719 174.700 -0.814 0.000 1.158 564 T CA -0.508 61.260 62.100 -0.554 0.000 1.007 564 T CB 1.498 70.200 68.868 -0.277 0.000 1.186 564 T HN 0.778 nan 8.240 nan 0.000 0.499 565 S N 0.915 116.386 115.700 -0.381 0.000 2.565 565 S HA 0.520 4.991 4.470 0.001 0.000 0.269 565 S C -0.469 174.026 174.600 -0.175 0.000 1.153 565 S CA -0.624 57.379 58.200 -0.328 0.000 0.835 565 S CB 0.762 63.919 63.200 -0.071 0.000 1.122 565 S HN 0.664 nan 8.310 nan 0.000 0.462 566 F N 1.895 121.748 119.950 -0.161 0.000 2.811 566 F HA 0.174 4.701 4.527 0.001 0.000 0.301 566 F C 0.933 176.432 175.800 -0.503 0.000 1.151 566 F CA -0.250 57.595 58.000 -0.259 0.000 1.412 566 F CB 0.117 38.915 39.000 -0.337 0.000 1.113 566 F HN 0.596 nan 8.300 nan 0.000 0.579 567 N N -1.689 116.919 118.700 -0.153 0.000 2.312 567 N HA 0.408 5.148 4.740 0.001 0.000 0.296 567 N C -1.108 174.425 175.510 0.038 0.000 1.193 567 N CA -0.806 52.188 53.050 -0.093 0.000 0.773 567 N CB 1.289 39.763 38.487 -0.023 0.000 1.435 567 N HN -0.286 nan 8.380 nan 0.000 0.484 568 V N 1.172 121.114 119.914 0.046 0.000 2.740 568 V HA 0.052 4.172 4.120 0.001 0.000 0.303 568 V C 0.496 176.625 176.094 0.058 0.000 1.054 568 V CA -0.133 62.206 62.300 0.066 0.000 1.106 568 V CB 0.739 32.592 31.823 0.051 0.000 0.957 568 V HN 0.646 nan 8.190 nan 0.000 0.486 569 Q N 0.000 119.833 119.800 0.055 0.000 2.315 569 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 569 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 569 Q CB 0.000 28.707 28.738 -0.051 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481