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 3hle_1_A DATA FIRST_RESID -11 DATA SEQUENCE HHSSGLVPRG SHMGSIIDAA AAAGPVVLME TAFRKAVESR QIPGAVIMAR DATA SEQUENCE DASGNLNYTR CFGARTVRRD ENNQLPPLQV DTPCRLAAAT KLLTTIMVLQ DATA SEQUENCE CMERGLVDLD ETVDRLLPDL SAMPVLEGFD DAGNARLRER RGKITLRHLL DATA SEQUENCE THTSGLSYVF LHPLLREYMA QGYLQSAEKF GIQSRLAPPA VNDPGAEWIY DATA SEQUENCE GTNLDWAGKL VERATGLDLE QYLQENICAP LGITDMTFKL QQRPDMLARR DATA SEQUENCE ADQTHRNSAD GRLRYDDSVY FRADGEECFG GQGVFSSPGS YMKVLHSLLK DATA SEQUENCE RDGLLLQPQT VDLMFQPALE PRLEEQMNQH MDASPHINYG GPMPMVLRRS DATA SEQUENCE FGLGGIIALE DLDGENWRRK GSLTFGGGPN IVWQIDPKAG LCTLAFFQLE DATA SEQUENCE PWNDPVCRDL TRTFEHAIYA QYQQ 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 -11 H HA 0.000 nan 4.556 nan 0.000 0.296 -11 H C 0.000 175.158 175.328 -0.283 0.000 0.993 -11 H CA 0.000 55.860 56.048 -0.313 0.000 1.023 -11 H CB 0.000 29.630 29.762 -0.221 0.000 1.292 -10 H N 0.333 119.294 119.070 -0.182 0.000 2.546 -10 H HA 0.214 4.773 4.556 0.004 0.000 0.365 -10 H C -0.321 174.973 175.328 -0.057 0.000 1.220 -10 H CA -0.203 55.755 56.048 -0.149 0.000 1.386 -10 H CB 1.006 30.618 29.762 -0.250 0.000 1.510 -10 H HN 0.240 nan 8.280 nan 0.000 0.591 -9 S N 1.442 117.195 115.700 0.089 0.000 2.499 -9 S HA 0.076 4.549 4.470 0.004 0.000 0.275 -9 S C 0.322 174.946 174.600 0.040 0.000 1.257 -9 S CA -0.782 57.448 58.200 0.050 0.000 1.050 -9 S CB 0.358 63.580 63.200 0.038 0.000 0.937 -9 S HN 0.658 nan 8.310 nan 0.000 0.490 -8 S N 2.640 118.360 115.700 0.034 0.000 2.537 -8 S HA 0.435 4.907 4.470 0.004 0.000 0.286 -8 S C 1.373 175.981 174.600 0.014 0.000 1.299 -8 S CA -0.043 58.172 58.200 0.026 0.000 1.067 -8 S CB 0.194 63.410 63.200 0.026 0.000 0.864 -8 S HN 1.483 nan 8.310 nan 0.000 0.494 -7 G N 2.263 111.067 108.800 0.006 0.000 2.199 -7 G HA2 -0.210 3.753 3.960 0.004 0.000 0.254 -7 G HA3 -0.210 3.753 3.960 0.004 0.000 0.254 -7 G C -0.141 174.756 174.900 -0.006 0.000 0.982 -7 G CA 0.242 45.342 45.100 -0.000 0.000 0.632 -7 G HN 0.805 nan 8.290 nan 0.000 0.529 -6 L N 0.611 121.831 121.223 -0.005 0.000 2.333 -6 L HA 0.705 5.048 4.340 0.004 0.000 0.269 -6 L C 0.797 177.650 176.870 -0.027 0.000 1.010 -6 L CA -1.510 53.324 54.840 -0.009 0.000 0.818 -6 L CB 2.055 44.116 42.059 0.003 0.000 1.306 -6 L HN -0.099 nan 8.230 nan 0.000 0.430 -5 V N 2.816 122.711 119.914 -0.032 0.000 2.585 -5 V HA 0.088 4.211 4.120 0.004 0.000 0.296 -5 V C -1.722 174.337 176.094 -0.059 0.000 1.035 -5 V CA -0.913 61.353 62.300 -0.055 0.000 1.084 -5 V CB 0.531 32.329 31.823 -0.041 0.000 0.953 -5 V HN 0.632 nan 8.190 nan 0.000 0.483 -4 P HA 0.256 nan 4.420 nan 0.000 0.268 -4 P C -0.283 176.997 177.300 -0.032 0.000 1.485 -4 P CA -0.148 62.894 63.100 -0.097 0.000 1.102 -4 P CB 0.340 31.792 31.700 -0.413 0.000 1.501 -3 R N 1.477 121.981 120.500 0.006 0.000 2.603 -3 R HA 0.535 4.877 4.340 0.004 0.000 0.231 -3 R C 0.892 177.204 176.300 0.021 0.000 1.263 -3 R CA -0.758 55.345 56.100 0.005 0.000 1.102 -3 R CB -0.008 30.292 30.300 0.000 0.000 1.527 -3 R HN 0.356 nan 8.270 nan 0.000 0.554 -2 G N 0.032 108.831 108.800 -0.003 0.000 2.398 -2 G HA2 0.096 4.058 3.960 0.004 0.000 0.246 -2 G HA3 0.096 4.058 3.960 0.004 0.000 0.246 -2 G C 0.663 175.561 174.900 -0.003 0.000 1.289 -2 G CA -0.086 44.998 45.100 -0.026 0.000 0.869 -2 G HN 0.548 nan 8.290 nan 0.000 0.543 -1 S N 0.895 116.611 115.700 0.027 0.000 2.540 -1 S HA 0.190 4.663 4.470 0.004 0.000 0.222 -1 S C 0.681 175.371 174.600 0.150 0.000 1.008 -1 S CA 0.244 58.498 58.200 0.090 0.000 0.939 -1 S CB -0.048 63.226 63.200 0.124 0.000 0.865 -1 S HN 0.976 nan 8.310 nan 0.000 0.499 0 H N -1.579 117.502 119.070 0.017 0.000 2.959 0 H HA 0.492 5.051 4.556 0.004 0.000 0.296 0 H C 0.484 175.820 175.328 0.014 0.000 1.421 0 H CA -0.832 55.224 56.048 0.014 0.000 1.206 0 H CB 0.159 29.928 29.762 0.012 0.000 1.891 0 H HN -0.071 nan 8.280 nan 0.000 0.573 1 M N 0.752 120.361 119.600 0.015 0.000 2.099 1 M HA -0.028 4.454 4.480 0.004 0.000 0.262 1 M C 2.320 178.541 176.300 -0.131 0.000 1.067 1 M CA 2.045 57.322 55.300 -0.039 0.000 1.124 1 M CB -1.664 30.960 32.600 0.040 0.000 1.353 1 M HN 0.911 nan 8.290 nan 0.000 0.410 2 G N -0.238 108.482 108.800 -0.133 0.000 2.446 2 G HA2 -0.227 3.736 3.960 0.004 0.000 0.217 2 G HA3 -0.227 3.736 3.960 0.004 0.000 0.217 2 G C 1.542 176.310 174.900 -0.220 0.000 1.168 2 G CA 1.600 46.635 45.100 -0.108 0.000 0.771 2 G HN 0.603 nan 8.290 nan 0.000 0.551 3 S N -0.255 115.135 115.700 -0.516 0.000 2.562 3 S HA 0.218 4.690 4.470 0.004 0.000 0.221 3 S C 2.063 176.552 174.600 -0.185 0.000 0.975 3 S CA 0.252 58.271 58.200 -0.301 0.000 0.918 3 S CB -0.066 62.948 63.200 -0.310 0.000 0.772 3 S HN 0.357 nan 8.310 nan 0.000 0.531 4 I N 0.682 121.142 120.570 -0.183 0.000 2.852 4 I HA 0.122 4.294 4.170 0.004 0.000 0.264 4 I C 1.910 177.992 176.117 -0.059 0.000 1.179 4 I CA 0.527 61.770 61.300 -0.094 0.000 1.480 4 I CB -0.134 37.821 38.000 -0.075 0.000 1.111 4 I HN 0.245 nan 8.210 nan 0.000 0.441 5 I N 0.849 121.382 120.570 -0.062 0.000 2.394 5 I HA -0.240 3.932 4.170 0.004 0.000 0.251 5 I C 1.815 177.916 176.117 -0.026 0.000 1.136 5 I CA 1.194 62.474 61.300 -0.034 0.000 1.425 5 I CB -0.360 37.625 38.000 -0.026 0.000 1.079 5 I HN 0.184 nan 8.210 nan 0.000 0.425 6 D N 1.288 121.667 120.400 -0.035 0.000 2.103 6 D HA -0.087 4.555 4.640 0.004 0.000 0.199 6 D C 2.343 178.634 176.300 -0.015 0.000 0.978 6 D CA 1.443 55.431 54.000 -0.020 0.000 0.829 6 D CB -0.342 40.446 40.800 -0.020 0.000 0.981 6 D HN 0.281 nan 8.370 nan 0.000 0.464 7 A N 0.569 123.375 122.820 -0.022 0.000 2.032 7 A HA 0.055 4.377 4.320 0.004 0.000 0.221 7 A C 1.309 178.889 177.584 -0.007 0.000 1.165 7 A CA 1.568 53.596 52.037 -0.014 0.000 0.645 7 A CB -0.377 18.612 19.000 -0.019 0.000 0.807 7 A HN 0.254 nan 8.150 nan 0.000 0.453 8 A N -0.999 121.817 122.820 -0.007 0.000 2.318 8 A HA 0.717 5.040 4.320 0.004 0.000 0.324 8 A C 0.337 177.921 177.584 0.001 0.000 1.170 8 A CA -0.022 52.015 52.037 0.000 0.000 0.810 8 A CB 0.625 19.626 19.000 0.003 0.000 1.198 8 A HN 1.168 nan 8.150 nan 0.000 0.484 9 A N 1.584 124.406 122.820 0.004 0.000 2.280 9 A HA 0.698 5.020 4.320 0.004 0.000 0.268 9 A C 0.971 178.558 177.584 0.006 0.000 1.111 9 A CA 0.229 52.269 52.037 0.004 0.000 0.814 9 A CB -0.131 18.871 19.000 0.004 0.000 1.093 9 A HN 2.188 nan 8.150 nan 0.000 0.498 10 A N -0.382 122.440 122.820 0.004 0.000 2.366 10 A HA 0.531 4.854 4.320 0.004 0.000 0.250 10 A C 0.787 178.376 177.584 0.009 0.000 1.099 10 A CA 0.220 52.260 52.037 0.006 0.000 0.794 10 A CB -0.417 18.584 19.000 0.002 0.000 1.056 10 A HN 2.185 nan 8.150 nan 0.000 0.499 11 A N 0.517 123.344 122.820 0.013 0.000 2.396 11 A HA 0.525 4.848 4.320 0.004 0.000 0.279 11 A C 0.899 178.491 177.584 0.013 0.000 1.165 11 A CA 0.204 52.254 52.037 0.021 0.000 0.824 11 A CB -0.738 18.279 19.000 0.028 0.000 1.100 11 A HN 1.590 nan 8.150 nan 0.000 0.516 12 G N 2.591 111.397 108.800 0.010 0.000 2.651 12 G HA2 0.416 4.379 3.960 0.004 0.000 0.260 12 G HA3 0.416 4.379 3.960 0.004 0.000 0.260 12 G C -1.446 173.454 174.900 0.001 0.000 1.216 12 G CA -0.987 44.107 45.100 -0.011 0.000 0.913 12 G HN 0.443 nan 8.290 nan 0.000 0.535 13 P HA -0.100 nan 4.420 nan 0.000 0.216 13 P C 2.049 179.373 177.300 0.040 0.000 1.150 13 P CA 0.572 63.672 63.100 -0.000 0.000 0.837 13 P CB 0.073 31.755 31.700 -0.029 0.000 0.786 14 V N -0.595 119.339 119.914 0.033 0.000 2.307 14 V HA -0.178 3.945 4.120 0.004 0.000 0.245 14 V C 2.511 178.699 176.094 0.157 0.000 1.045 14 V CA 1.578 63.936 62.300 0.096 0.000 1.024 14 V CB -1.167 30.701 31.823 0.075 0.000 0.651 14 V HN -0.049 nan 8.190 nan 0.000 0.449 15 V N -0.023 119.967 119.914 0.127 0.000 2.287 15 V HA -0.282 3.841 4.120 0.004 0.000 0.248 15 V C 2.327 178.496 176.094 0.125 0.000 1.053 15 V CA 2.087 64.467 62.300 0.133 0.000 1.027 15 V CB -0.570 31.311 31.823 0.096 0.000 0.646 15 V HN 0.445 nan 8.190 nan 0.000 0.447 16 L N -0.859 120.421 121.223 0.095 0.000 2.046 16 L HA -0.214 4.129 4.340 0.004 0.000 0.208 16 L C 2.570 179.505 176.870 0.109 0.000 1.077 16 L CA 1.736 56.625 54.840 0.082 0.000 0.747 16 L CB -0.579 41.512 42.059 0.052 0.000 0.896 16 L HN 0.376 nan 8.230 nan 0.000 0.432 17 M N 0.233 119.922 119.600 0.148 0.000 2.117 17 M HA -0.206 4.276 4.480 0.004 0.000 0.262 17 M C 1.980 178.452 176.300 0.288 0.000 1.065 17 M CA 1.883 57.315 55.300 0.220 0.000 1.114 17 M CB -0.423 32.338 32.600 0.268 0.000 1.361 17 M HN 0.272 nan 8.290 nan 0.000 0.408 18 E N -0.417 119.945 120.200 0.270 0.000 2.077 18 E HA -0.169 4.184 4.350 0.004 0.000 0.193 18 E C 1.806 178.521 176.600 0.191 0.000 0.989 18 E CA 1.972 58.548 56.400 0.293 0.000 0.800 18 E CB -0.224 29.702 29.700 0.376 0.000 0.746 18 E HN 0.556 nan 8.360 nan 0.000 0.452 19 T N 1.015 115.662 114.554 0.155 0.000 2.720 19 T HA -0.191 4.161 4.350 0.004 0.000 0.268 19 T C 2.000 176.729 174.700 0.047 0.000 1.037 19 T CA 1.282 63.442 62.100 0.100 0.000 1.144 19 T CB -0.238 68.677 68.868 0.079 0.000 0.864 19 T HN 0.267 nan 8.240 nan 0.000 0.444 20 A N 0.658 123.500 122.820 0.038 0.000 1.902 20 A HA -0.008 4.314 4.320 0.004 0.000 0.217 20 A C 1.997 179.489 177.584 -0.154 0.000 1.181 20 A CA 1.299 53.307 52.037 -0.048 0.000 0.623 20 A CB -0.991 17.976 19.000 -0.055 0.000 0.818 20 A HN 0.487 nan 8.150 nan 0.000 0.443 21 F N -0.224 119.541 119.950 -0.308 0.000 2.134 21 F HA -0.129 4.402 4.527 0.007 0.000 0.299 21 F C 2.659 178.197 175.800 -0.438 0.000 1.097 21 F CA 1.698 59.350 58.000 -0.580 0.000 1.264 21 F CB -0.182 37.933 39.000 -1.474 0.000 1.001 21 F HN 0.098 nan 8.300 nan 0.000 0.479 22 R N 0.340 120.777 120.500 -0.105 0.000 2.081 22 R HA -0.153 4.190 4.340 0.004 0.000 0.235 22 R C 2.084 178.407 176.300 0.038 0.000 1.131 22 R CA 1.401 57.546 56.100 0.075 0.000 0.960 22 R CB -0.375 30.022 30.300 0.163 0.000 0.856 22 R HN 0.283 nan 8.270 nan 0.000 0.436 23 K N 0.205 120.605 120.400 -0.000 0.000 2.097 23 K HA -0.061 4.262 4.320 0.004 0.000 0.205 23 K C 2.099 178.682 176.600 -0.029 0.000 1.050 23 K CA 1.243 57.524 56.287 -0.010 0.000 0.938 23 K CB -0.060 32.427 32.500 -0.022 0.000 0.718 23 K HN 0.138 nan 8.250 nan 0.000 0.442 24 A N 0.910 123.689 122.820 -0.069 0.000 1.930 24 A HA -0.084 4.239 4.320 0.004 0.000 0.217 24 A C 2.316 179.892 177.584 -0.013 0.000 1.175 24 A CA 1.094 53.087 52.037 -0.073 0.000 0.627 24 A CB -0.426 18.483 19.000 -0.152 0.000 0.815 24 A HN 0.049 nan 8.150 nan 0.000 0.443 25 V N -0.050 119.877 119.914 0.022 0.000 2.307 25 V HA -0.255 3.868 4.120 0.004 0.000 0.245 25 V C 2.393 178.517 176.094 0.051 0.000 1.045 25 V CA 2.272 64.613 62.300 0.067 0.000 1.024 25 V CB -0.845 31.052 31.823 0.123 0.000 0.651 25 V HN 0.628 nan 8.190 nan 0.000 0.449 26 E N 0.781 121.008 120.200 0.044 0.000 2.085 26 E HA -0.186 4.167 4.350 0.004 0.000 0.194 26 E C 2.113 178.726 176.600 0.022 0.000 0.994 26 E CA 1.695 58.116 56.400 0.036 0.000 0.801 26 E CB -0.203 29.518 29.700 0.034 0.000 0.743 26 E HN 0.726 nan 8.360 nan 0.000 0.453 27 S N -0.063 115.643 115.700 0.010 0.000 2.631 27 S HA 0.057 4.529 4.470 0.004 0.000 0.217 27 S C 0.341 174.943 174.600 0.003 0.000 0.958 27 S CA -0.251 57.950 58.200 0.001 0.000 0.920 27 S CB 0.176 63.368 63.200 -0.012 0.000 0.776 27 S HN 0.117 nan 8.310 nan 0.000 0.517 28 R N 0.245 120.753 120.500 0.013 0.000 3.770 28 R HA -0.192 4.151 4.340 0.004 0.000 0.305 28 R C 0.518 176.822 176.300 0.008 0.000 1.184 28 R CA 1.105 57.217 56.100 0.019 0.000 0.823 28 R CB -3.023 27.289 30.300 0.020 0.000 1.285 28 R HN 0.677 nan 8.270 nan 0.000 0.499 29 Q N 0.151 119.948 119.800 -0.006 0.000 2.187 29 Q HA 0.157 4.500 4.340 0.004 0.000 0.199 29 Q C 1.331 177.321 176.000 -0.017 0.000 0.957 29 Q CA 1.500 57.286 55.803 -0.028 0.000 0.857 29 Q CB 0.233 28.937 28.738 -0.056 0.000 0.929 29 Q HN 0.690 nan 8.270 nan 0.000 0.453 30 I N -4.507 116.076 120.570 0.021 0.000 2.892 30 I HA 0.375 4.548 4.170 0.004 0.000 0.306 30 I C -2.422 173.759 176.117 0.107 0.000 1.078 30 I CA -2.702 58.645 61.300 0.078 0.000 1.032 30 I CB 1.899 39.995 38.000 0.159 0.000 1.229 30 I HN -0.264 nan 8.210 nan 0.000 0.435 31 P HA 0.211 nan 4.420 nan 0.000 0.215 31 P C 0.506 177.896 177.300 0.151 0.000 1.157 31 P CA 0.846 64.026 63.100 0.133 0.000 0.856 31 P CB 0.180 31.967 31.700 0.144 0.000 0.786 32 G N -2.029 106.886 108.800 0.192 0.000 2.430 32 G HA2 0.601 4.563 3.960 0.004 0.000 0.300 32 G HA3 0.601 4.563 3.960 0.004 0.000 0.300 32 G C -2.128 172.865 174.900 0.156 0.000 1.330 32 G CA 0.042 45.257 45.100 0.191 0.000 0.813 32 G HN 0.235 nan 8.290 nan 0.000 0.487 33 A N -1.412 121.460 122.820 0.086 0.000 2.605 33 A HA 0.792 5.115 4.320 0.004 0.000 0.294 33 A C -1.616 175.913 177.584 -0.091 0.000 1.062 33 A CA -0.444 51.472 52.037 -0.202 0.000 0.682 33 A CB 1.710 20.441 19.000 -0.449 0.000 1.278 33 A HN 1.692 nan 8.150 nan 0.000 0.410 34 V N 2.396 122.199 119.914 -0.185 0.000 2.487 34 V HA 0.611 4.733 4.120 0.004 0.000 0.298 34 V C -0.350 175.586 176.094 -0.263 0.000 1.028 34 V CA -0.302 61.881 62.300 -0.195 0.000 0.860 34 V CB 1.356 33.083 31.823 -0.160 0.000 0.991 34 V HN 0.874 nan 8.190 nan 0.000 0.427 35 I N 2.422 122.757 120.570 -0.391 0.000 2.509 35 I HA 0.838 5.010 4.170 0.004 0.000 0.293 35 I C -0.788 175.137 176.117 -0.320 0.000 1.020 35 I CA -0.719 60.225 61.300 -0.594 0.000 1.088 35 I CB 2.101 39.322 38.000 -1.299 0.000 1.267 35 I HN 0.515 nan 8.210 nan 0.000 0.430 36 M N 5.104 124.686 119.600 -0.031 0.000 2.433 36 M HA 0.804 5.286 4.480 0.004 0.000 0.290 36 M C -1.056 175.516 176.300 0.453 0.000 1.173 36 M CA -0.524 54.878 55.300 0.170 0.000 0.905 36 M CB 2.602 35.237 32.600 0.059 0.000 1.692 36 M HN 0.843 nan 8.290 nan 0.000 0.462 37 A N 2.492 125.554 122.820 0.403 0.000 2.455 37 A HA 0.938 5.260 4.320 0.004 0.000 0.300 37 A C -1.301 176.363 177.584 0.133 0.000 1.040 37 A CA -0.777 51.451 52.037 0.319 0.000 0.697 37 A CB 1.930 21.125 19.000 0.325 0.000 1.265 37 A HN 0.898 nan 8.150 nan 0.000 0.407 38 R N 1.118 121.658 120.500 0.067 0.000 2.725 38 R HA 0.531 4.873 4.340 0.004 0.000 0.277 38 R C -1.509 174.808 176.300 0.029 0.000 0.987 38 R CA -0.774 55.301 56.100 -0.042 0.000 0.901 38 R CB 2.323 32.458 30.300 -0.274 0.000 1.207 38 R HN 0.936 nan 8.270 nan 0.000 0.463 39 D N 0.566 120.980 120.400 0.024 0.000 2.506 39 D HA 0.338 4.980 4.640 0.004 0.000 0.254 39 D C 0.482 176.891 176.300 0.182 0.000 1.089 39 D CA -0.694 53.352 54.000 0.076 0.000 1.050 39 D CB 1.007 41.821 40.800 0.023 0.000 1.221 39 D HN 0.401 nan 8.370 nan 0.000 0.589 40 A N -0.015 122.883 122.820 0.130 0.000 1.929 40 A HA -0.069 4.254 4.320 0.004 0.000 0.216 40 A C 2.036 179.680 177.584 0.100 0.000 1.176 40 A CA 1.918 54.020 52.037 0.109 0.000 0.628 40 A CB -1.007 18.006 19.000 0.021 0.000 0.816 40 A HN 0.637 nan 8.150 nan 0.000 0.444 41 S N -1.705 114.035 115.700 0.067 0.000 2.447 41 S HA 0.267 4.739 4.470 0.004 0.000 0.233 41 S C 1.663 176.293 174.600 0.051 0.000 1.006 41 S CA 1.454 59.681 58.200 0.043 0.000 0.957 41 S CB -0.410 62.805 63.200 0.025 0.000 0.773 41 S HN 1.909 nan 8.310 nan 0.000 0.507 42 G N 1.493 110.333 108.800 0.067 0.000 2.217 42 G HA2 -0.291 3.671 3.960 0.004 0.000 0.246 42 G HA3 -0.291 3.671 3.960 0.004 0.000 0.246 42 G C 0.766 175.663 174.900 -0.006 0.000 0.990 42 G CA 0.311 45.432 45.100 0.036 0.000 0.627 42 G HN 0.491 nan 8.290 nan 0.000 0.522 43 N N -0.343 118.352 118.700 -0.007 0.000 2.309 43 N HA 0.085 4.828 4.740 0.004 0.000 0.182 43 N C 0.743 176.204 175.510 -0.082 0.000 1.018 43 N CA 0.983 54.017 53.050 -0.027 0.000 0.876 43 N CB -0.001 38.483 38.487 -0.005 0.000 0.972 43 N HN 0.577 nan 8.380 nan 0.000 0.434 44 L N 1.169 122.335 121.223 -0.095 0.000 2.276 44 L HA 0.443 4.785 4.340 0.004 0.000 0.286 44 L C -0.817 175.986 176.870 -0.111 0.000 1.024 44 L CA -0.334 54.404 54.840 -0.171 0.000 0.826 44 L CB 0.759 42.715 42.059 -0.171 0.000 1.211 44 L HN -0.101 nan 8.230 nan 0.000 0.422 45 N N 4.396 123.038 118.700 -0.097 0.000 2.710 45 N HA 0.154 4.896 4.740 0.004 0.000 0.244 45 N C -2.135 173.368 175.510 -0.013 0.000 1.321 45 N CA -0.323 52.684 53.050 -0.072 0.000 0.758 45 N CB 0.369 38.804 38.487 -0.088 0.000 1.284 45 N HN 0.516 nan 8.380 nan 0.000 0.530 46 Y N 1.628 121.860 120.300 -0.113 0.000 2.328 46 Y HA 0.620 5.172 4.550 0.002 0.000 0.336 46 Y C -0.943 174.924 175.900 -0.054 0.000 0.960 46 Y CA -0.207 57.846 58.100 -0.078 0.000 1.134 46 Y CB 1.490 39.922 38.460 -0.046 0.000 1.166 46 Y HN 0.189 nan 8.280 nan 0.000 0.464 47 T N 7.294 121.522 114.554 -0.543 0.000 2.928 47 T HA 0.578 4.930 4.350 0.004 0.000 0.296 47 T C -1.163 173.128 174.700 -0.681 0.000 1.000 47 T CA -0.977 60.825 62.100 -0.496 0.000 0.989 47 T CB 0.991 69.682 68.868 -0.294 0.000 1.005 47 T HN 0.430 nan 8.240 nan 0.000 0.442 48 R N 1.325 121.423 120.500 -0.670 0.000 2.673 48 R HA 0.655 4.997 4.340 0.004 0.000 0.281 48 R C -1.400 174.491 176.300 -0.682 0.000 0.991 48 R CA -0.573 55.103 56.100 -0.708 0.000 0.896 48 R CB 1.704 31.572 30.300 -0.720 0.000 1.201 48 R HN 0.684 nan 8.270 nan 0.000 0.457 49 C N 2.682 121.522 119.300 -0.767 0.000 2.408 49 C HA 0.714 5.177 4.460 0.004 0.000 0.321 49 C C -0.780 173.783 174.990 -0.712 0.000 1.245 49 C CA -0.805 57.887 59.018 -0.544 0.000 1.523 49 C CB 0.157 27.703 27.740 -0.323 0.000 2.178 49 C HN 0.663 nan 8.230 nan 0.000 0.488 50 F N 1.504 121.393 119.950 -0.102 0.000 2.551 50 F HA 0.744 5.275 4.527 0.006 0.000 0.316 50 F C 0.855 176.659 175.800 0.007 0.000 1.089 50 F CA 0.740 58.726 58.000 -0.024 0.000 0.915 50 F CB 1.542 40.569 39.000 0.044 0.000 1.186 50 F HN 1.060 nan 8.300 nan 0.000 0.456 51 G N 1.185 110.102 108.800 0.196 0.000 2.569 51 G HA2 0.180 4.142 3.960 0.004 0.000 0.259 51 G HA3 0.180 4.142 3.960 0.004 0.000 0.259 51 G C -0.840 174.114 174.900 0.090 0.000 1.263 51 G CA -0.383 44.803 45.100 0.142 0.000 0.928 51 G HN 1.287 nan 8.290 nan 0.000 0.572 52 A N -0.531 122.345 122.820 0.093 0.000 2.311 52 A HA 0.805 5.127 4.320 0.004 0.000 0.334 52 A C 1.182 178.819 177.584 0.088 0.000 1.139 52 A CA 0.586 52.667 52.037 0.073 0.000 0.830 52 A CB 1.132 20.173 19.000 0.069 0.000 1.234 52 A HN 1.675 nan 8.150 nan 0.000 0.483 53 R N -0.010 120.534 120.500 0.073 0.000 2.334 53 R HA 0.284 4.626 4.340 0.004 0.000 0.220 53 R C 0.156 176.520 176.300 0.108 0.000 0.917 53 R CA 0.800 56.955 56.100 0.091 0.000 1.073 53 R CB -0.050 30.288 30.300 0.063 0.000 1.056 53 R HN 0.585 nan 8.270 nan 0.000 0.506 54 T N -1.225 113.392 114.554 0.104 0.000 2.733 54 T HA 0.165 4.518 4.350 0.004 0.000 0.312 54 T C -0.104 174.661 174.700 0.109 0.000 1.590 54 T CA -0.310 61.864 62.100 0.123 0.000 1.005 54 T CB 1.480 70.398 68.868 0.084 0.000 1.528 54 T HN 0.075 nan 8.240 nan 0.000 0.496 55 V N 0.342 120.334 119.914 0.130 0.000 3.621 55 V HA 0.566 4.688 4.120 0.004 0.000 0.285 55 V C 0.611 176.735 176.094 0.049 0.000 1.346 55 V CA -0.028 62.331 62.300 0.097 0.000 1.104 55 V CB -0.517 31.378 31.823 0.120 0.000 0.913 55 V HN 0.597 nan 8.190 nan 0.000 0.432 56 R N 1.649 122.155 120.500 0.010 0.000 2.297 56 R HA 0.534 4.876 4.340 0.004 0.000 0.308 56 R C -0.214 176.056 176.300 -0.049 0.000 1.029 56 R CA -0.535 55.521 56.100 -0.072 0.000 0.929 56 R CB 1.367 31.541 30.300 -0.209 0.000 1.046 56 R HN 0.394 nan 8.270 nan 0.000 0.461 57 R N 1.736 122.209 120.500 -0.045 0.000 2.490 57 R HA 0.005 4.347 4.340 0.004 0.000 0.280 57 R C 0.226 176.501 176.300 -0.042 0.000 1.077 57 R CA -0.275 55.807 56.100 -0.031 0.000 1.065 57 R CB 0.524 30.811 30.300 -0.022 0.000 1.003 57 R HN 0.651 nan 8.270 nan 0.000 0.470 58 D N 1.201 121.581 120.400 -0.033 0.000 2.469 58 D HA -0.091 4.551 4.640 0.004 0.000 0.278 58 D C 0.971 177.251 176.300 -0.032 0.000 1.231 58 D CA -0.363 53.615 54.000 -0.036 0.000 1.075 58 D CB 0.246 41.029 40.800 -0.029 0.000 1.121 58 D HN 0.541 nan 8.370 nan 0.000 0.571 59 E N -0.296 119.886 120.200 -0.030 0.000 2.333 59 E HA -0.211 4.141 4.350 0.004 0.000 0.198 59 E C 0.122 176.710 176.600 -0.021 0.000 1.007 59 E CA 0.891 57.275 56.400 -0.026 0.000 0.845 59 E CB -0.539 29.146 29.700 -0.025 0.000 0.766 59 E HN 0.414 nan 8.360 nan 0.000 0.507 60 N N 1.225 119.913 118.700 -0.019 0.000 2.214 60 N HA 0.020 4.762 4.740 0.004 0.000 0.214 60 N C -0.121 175.381 175.510 -0.013 0.000 1.132 60 N CA 0.177 53.218 53.050 -0.015 0.000 0.856 60 N CB 0.051 38.529 38.487 -0.013 0.000 1.020 60 N HN 0.343 nan 8.380 nan 0.000 0.509 61 N N 0.475 119.166 118.700 -0.015 0.000 2.782 61 N HA -0.159 4.583 4.740 0.004 0.000 0.251 61 N C -0.942 174.563 175.510 -0.008 0.000 1.101 61 N CA 0.393 53.435 53.050 -0.012 0.000 0.764 61 N CB -0.178 38.303 38.487 -0.009 0.000 1.122 61 N HN 0.197 nan 8.380 nan 0.000 0.561 62 Q N 0.447 120.242 119.800 -0.009 0.000 2.241 62 Q HA 0.482 4.824 4.340 0.004 0.000 0.262 62 Q C -0.000 175.998 176.000 -0.003 0.000 1.014 62 Q CA -0.386 55.414 55.803 -0.004 0.000 0.885 62 Q CB 1.308 30.043 28.738 -0.005 0.000 1.311 62 Q HN 0.265 nan 8.270 nan 0.000 0.461 63 L N 3.322 124.547 121.223 0.005 0.000 2.264 63 L HA 0.343 4.685 4.340 0.004 0.000 0.287 63 L C -2.039 174.837 176.870 0.011 0.000 1.039 63 L CA -1.788 53.059 54.840 0.011 0.000 0.829 63 L CB 1.035 43.109 42.059 0.024 0.000 1.211 63 L HN 0.233 nan 8.230 nan 0.000 0.427 64 P HA 0.195 nan 4.420 nan 0.000 0.271 64 P C -2.585 174.720 177.300 0.009 0.000 1.218 64 P CA -1.409 61.691 63.100 0.000 0.000 0.780 64 P CB -0.120 31.576 31.700 -0.008 0.000 0.901 65 P HA 0.120 nan 4.420 nan 0.000 0.275 65 P C -0.534 176.767 177.300 0.002 0.000 1.228 65 P CA -0.383 62.717 63.100 -0.000 0.000 0.786 65 P CB 0.538 32.225 31.700 -0.022 0.000 0.927 66 L N 3.303 124.533 121.223 0.012 0.000 2.313 66 L HA 0.172 4.515 4.340 0.004 0.000 0.282 66 L C 0.238 177.086 176.870 -0.037 0.000 1.092 66 L CA 0.624 55.471 54.840 0.012 0.000 0.831 66 L CB -0.203 41.883 42.059 0.045 0.000 1.159 66 L HN 0.323 nan 8.230 nan 0.000 0.442 67 Q N 3.045 122.819 119.800 -0.044 0.000 2.378 67 Q HA 0.262 4.604 4.340 0.004 0.000 0.276 67 Q C 0.621 176.562 176.000 -0.099 0.000 1.083 67 Q CA -0.826 54.928 55.803 -0.081 0.000 0.856 67 Q CB 1.983 30.680 28.738 -0.067 0.000 1.383 67 Q HN 0.503 nan 8.270 nan 0.000 0.458 68 V N 1.165 121.002 119.914 -0.129 0.000 2.594 68 V HA -0.198 3.924 4.120 0.004 0.000 0.253 68 V C 0.936 176.959 176.094 -0.119 0.000 1.069 68 V CA 2.660 64.870 62.300 -0.149 0.000 1.082 68 V CB -0.289 31.442 31.823 -0.153 0.000 0.680 68 V HN 0.884 nan 8.190 nan 0.000 0.469 69 D N -1.639 118.713 120.400 -0.081 0.000 2.368 69 D HA 0.053 4.695 4.640 0.004 0.000 0.218 69 D C 0.603 176.889 176.300 -0.024 0.000 1.112 69 D CA -0.047 53.922 54.000 -0.052 0.000 0.834 69 D CB -0.511 40.263 40.800 -0.042 0.000 0.953 69 D HN 0.359 nan 8.370 nan 0.000 0.505 70 T N 2.999 117.541 114.554 -0.020 0.000 2.834 70 T HA 0.237 4.589 4.350 0.004 0.000 0.298 70 T C -2.500 172.242 174.700 0.070 0.000 0.966 70 T CA -0.846 61.266 62.100 0.020 0.000 1.141 70 T CB 1.230 70.117 68.868 0.032 0.000 0.905 70 T HN 0.045 nan 8.240 nan 0.000 0.535 71 P HA 0.265 nan 4.420 nan 0.000 0.271 71 P C -0.743 176.728 177.300 0.285 0.000 1.233 71 P CA -0.297 62.906 63.100 0.173 0.000 0.764 71 P CB 0.187 31.966 31.700 0.132 0.000 0.825 72 C N 3.729 123.260 119.300 0.384 0.000 2.614 72 C HA 0.481 4.943 4.460 0.004 0.000 0.320 72 C C 0.606 175.885 174.990 0.481 0.000 1.200 72 C CA -0.731 58.573 59.018 0.477 0.000 1.700 72 C CB 1.671 29.720 27.740 0.516 0.000 2.275 72 C HN 0.537 nan 8.230 nan 0.000 0.492 73 R N 1.771 122.511 120.500 0.400 0.000 2.351 73 R HA 0.229 4.572 4.340 0.004 0.000 0.318 73 R C 0.539 176.746 176.300 -0.155 0.000 1.055 73 R CA -0.061 56.020 56.100 -0.030 0.000 0.968 73 R CB 0.171 30.360 30.300 -0.185 0.000 0.974 73 R HN 0.797 nan 8.270 nan 0.000 0.439 74 L N 4.387 125.452 121.223 -0.263 0.000 2.270 74 L HA 0.045 4.388 4.340 0.004 0.000 0.210 74 L C 1.675 178.407 176.870 -0.231 0.000 1.104 74 L CA 0.872 55.574 54.840 -0.231 0.000 0.804 74 L CB -0.721 41.245 42.059 -0.155 0.000 0.937 74 L HN 1.017 nan 8.230 nan 0.000 0.450 75 A N 1.007 123.649 122.820 -0.297 0.000 5.481 75 A HA -0.444 3.878 4.320 0.004 0.000 0.318 75 A C 1.729 179.261 177.584 -0.087 0.000 1.837 75 A CA 1.589 53.475 52.037 -0.252 0.000 0.717 75 A CB -1.790 17.064 19.000 -0.244 0.000 1.349 75 A HN 0.400 nan 8.150 nan 0.000 0.388 76 A N -1.189 121.627 122.820 -0.007 0.000 2.172 76 A HA 0.349 4.672 4.320 0.004 0.000 0.216 76 A C 2.398 180.173 177.584 0.319 0.000 1.154 76 A CA 1.929 54.085 52.037 0.198 0.000 0.701 76 A CB -1.187 17.989 19.000 0.292 0.000 0.789 76 A HN 2.368 nan 8.150 nan 0.000 0.465 77 A N -0.810 122.130 122.820 0.200 0.000 2.178 77 A HA -0.025 4.297 4.320 0.004 0.000 0.218 77 A C 2.074 179.843 177.584 0.307 0.000 1.157 77 A CA 1.846 54.066 52.037 0.306 0.000 0.689 77 A CB -0.975 18.011 19.000 -0.024 0.000 0.787 77 A HN 0.410 nan 8.150 nan 0.000 0.465 78 T N 0.194 114.861 114.554 0.187 0.000 2.881 78 T HA -0.141 4.212 4.350 0.004 0.000 0.270 78 T C 1.792 176.631 174.700 0.232 0.000 1.068 78 T CA 1.654 63.855 62.100 0.169 0.000 1.131 78 T CB -0.171 68.746 68.868 0.083 0.000 0.871 78 T HN 0.607 nan 8.240 nan 0.000 0.479 79 K N 0.525 121.107 120.400 0.304 0.000 2.103 79 K HA -0.042 4.280 4.320 0.004 0.000 0.207 79 K C 2.142 178.885 176.600 0.238 0.000 1.048 79 K CA 0.848 57.313 56.287 0.297 0.000 0.930 79 K CB -0.353 32.386 32.500 0.397 0.000 0.716 79 K HN 0.175 nan 8.250 nan 0.000 0.444 80 L N 1.565 122.939 121.223 0.250 0.000 2.046 80 L HA -0.163 4.180 4.340 0.004 0.000 0.208 80 L C 1.831 178.709 176.870 0.014 0.000 1.077 80 L CA 1.554 56.438 54.840 0.074 0.000 0.747 80 L CB -0.355 41.588 42.059 -0.194 0.000 0.896 80 L HN 0.124 nan 8.230 nan 0.000 0.432 81 L N -1.356 119.897 121.223 0.051 0.000 2.017 81 L HA -0.214 4.128 4.340 0.004 0.000 0.208 81 L C 2.341 179.274 176.870 0.105 0.000 1.073 81 L CA 1.843 56.714 54.840 0.051 0.000 0.745 81 L CB -1.351 40.756 42.059 0.079 0.000 0.894 81 L HN 0.256 nan 8.230 nan 0.000 0.432 82 T N -1.177 113.463 114.554 0.143 0.000 2.821 82 T HA -0.156 4.196 4.350 0.004 0.000 0.267 82 T C 1.922 176.674 174.700 0.087 0.000 1.046 82 T CA 1.780 63.965 62.100 0.141 0.000 1.139 82 T CB -0.298 68.668 68.868 0.164 0.000 0.871 82 T HN 0.351 nan 8.240 nan 0.000 0.454 83 T N 2.293 116.896 114.554 0.081 0.000 2.720 83 T HA -0.040 4.312 4.350 0.004 0.000 0.268 83 T C 1.953 176.679 174.700 0.043 0.000 1.037 83 T CA 1.066 63.199 62.100 0.055 0.000 1.144 83 T CB -0.463 68.441 68.868 0.061 0.000 0.864 83 T HN 0.340 nan 8.240 nan 0.000 0.444 84 I N 0.664 121.259 120.570 0.041 0.000 2.226 84 I HA -0.193 3.979 4.170 0.004 0.000 0.245 84 I C 2.561 178.729 176.117 0.085 0.000 1.100 84 I CA 1.358 62.685 61.300 0.045 0.000 1.374 84 I CB -0.380 37.634 38.000 0.023 0.000 1.057 84 I HN 0.251 nan 8.210 nan 0.000 0.413 85 M N -0.300 119.367 119.600 0.110 0.000 2.117 85 M HA -0.184 4.298 4.480 0.004 0.000 0.262 85 M C 2.418 178.721 176.300 0.005 0.000 1.065 85 M CA 1.509 56.890 55.300 0.135 0.000 1.114 85 M CB -0.444 32.219 32.600 0.104 0.000 1.361 85 M HN 0.106 nan 8.290 nan 0.000 0.408 86 V N 0.921 120.829 119.914 -0.009 0.000 2.343 86 V HA -0.261 3.862 4.120 0.004 0.000 0.247 86 V C 2.283 178.379 176.094 0.003 0.000 1.051 86 V CA 1.680 63.965 62.300 -0.025 0.000 1.036 86 V CB -0.673 31.144 31.823 -0.010 0.000 0.654 86 V HN 0.469 nan 8.190 nan 0.000 0.451 87 L N -0.698 120.541 121.223 0.027 0.000 2.141 87 L HA -0.207 4.135 4.340 0.004 0.000 0.209 87 L C 2.657 179.556 176.870 0.048 0.000 1.094 87 L CA 1.401 56.261 54.840 0.034 0.000 0.763 87 L CB -0.597 41.484 42.059 0.037 0.000 0.908 87 L HN 0.376 nan 8.230 nan 0.000 0.437 88 Q N -0.847 118.999 119.800 0.078 0.000 2.084 88 Q HA -0.222 4.121 4.340 0.004 0.000 0.202 88 Q C 2.509 178.569 176.000 0.100 0.000 0.978 88 Q CA 1.844 57.713 55.803 0.111 0.000 0.844 88 Q CB -0.312 28.549 28.738 0.205 0.000 0.898 88 Q HN 0.574 nan 8.270 nan 0.000 0.426 89 C N 0.423 119.762 119.300 0.066 0.000 2.429 89 C HA -0.132 4.330 4.460 0.004 0.000 0.277 89 C C 2.637 177.641 174.990 0.024 0.000 1.262 89 C CA 0.511 59.547 59.018 0.030 0.000 1.733 89 C CB -0.807 26.911 27.740 -0.037 0.000 2.010 89 C HN 0.593 nan 8.230 nan 0.000 0.483 90 M N 1.171 120.781 119.600 0.018 0.000 2.117 90 M HA -0.141 4.341 4.480 0.004 0.000 0.262 90 M C 2.125 178.438 176.300 0.021 0.000 1.065 90 M CA 1.796 57.104 55.300 0.014 0.000 1.114 90 M CB -0.931 31.675 32.600 0.010 0.000 1.361 90 M HN 0.461 nan 8.290 nan 0.000 0.408 91 E N -0.189 120.029 120.200 0.031 0.000 2.153 91 E HA -0.191 4.161 4.350 0.004 0.000 0.194 91 E C 1.622 178.240 176.600 0.030 0.000 0.988 91 E CA 1.020 57.438 56.400 0.030 0.000 0.811 91 E CB -0.056 29.666 29.700 0.036 0.000 0.746 91 E HN 0.562 nan 8.360 nan 0.000 0.466 92 R N -0.520 120.003 120.500 0.038 0.000 2.320 92 R HA 0.097 4.439 4.340 0.004 0.000 0.211 92 R C 0.951 177.267 176.300 0.027 0.000 0.931 92 R CA 0.442 56.564 56.100 0.037 0.000 1.071 92 R CB 0.500 30.833 30.300 0.055 0.000 1.025 92 R HN 0.189 nan 8.270 nan 0.000 0.495 93 G N 1.027 109.840 108.800 0.021 0.000 2.153 93 G HA2 -0.274 3.688 3.960 0.004 0.000 0.252 93 G HA3 -0.274 3.688 3.960 0.004 0.000 0.252 93 G C 0.610 175.516 174.900 0.011 0.000 0.994 93 G CA 0.072 45.180 45.100 0.013 0.000 0.698 93 G HN 0.325 nan 8.290 nan 0.000 0.521 94 L N -0.873 120.358 121.223 0.013 0.000 2.270 94 L HA 0.336 4.678 4.340 0.004 0.000 0.210 94 L C 1.389 178.257 176.870 -0.002 0.000 1.104 94 L CA 1.246 56.090 54.840 0.008 0.000 0.804 94 L CB -0.059 42.006 42.059 0.010 0.000 0.937 94 L HN 0.561 nan 8.230 nan 0.000 0.450 95 V N -5.452 114.460 119.914 -0.004 0.000 3.188 95 V HA 0.530 4.652 4.120 0.004 0.000 0.305 95 V C -1.706 174.382 176.094 -0.010 0.000 1.232 95 V CA -1.042 61.251 62.300 -0.011 0.000 1.043 95 V CB 2.729 34.541 31.823 -0.018 0.000 1.068 95 V HN -0.093 nan 8.190 nan 0.000 0.439 96 D N 1.055 121.446 120.400 -0.016 0.000 2.362 96 D HA 0.478 5.120 4.640 0.004 0.000 0.247 96 D C 0.761 177.045 176.300 -0.026 0.000 1.050 96 D CA -0.539 53.451 54.000 -0.017 0.000 0.839 96 D CB 2.438 43.227 40.800 -0.017 0.000 1.283 96 D HN 0.666 nan 8.370 nan 0.000 0.477 97 L N 1.828 123.035 121.223 -0.028 0.000 2.201 97 L HA -0.085 4.258 4.340 0.004 0.000 0.212 97 L C 1.106 177.936 176.870 -0.066 0.000 1.105 97 L CA 0.899 55.715 54.840 -0.041 0.000 0.775 97 L CB -0.008 42.031 42.059 -0.033 0.000 0.913 97 L HN 0.376 nan 8.230 nan 0.000 0.440 98 D N -0.505 119.859 120.400 -0.060 0.000 2.340 98 D HA 0.006 4.648 4.640 0.004 0.000 0.217 98 D C 0.640 176.905 176.300 -0.059 0.000 1.081 98 D CA 0.145 54.099 54.000 -0.077 0.000 0.842 98 D CB 0.350 41.112 40.800 -0.064 0.000 0.934 98 D HN 0.363 nan 8.370 nan 0.000 0.511 99 E N 1.706 121.879 120.200 -0.046 0.000 2.354 99 E HA 0.082 4.435 4.350 0.004 0.000 0.269 99 E C 0.151 176.729 176.600 -0.037 0.000 1.036 99 E CA -0.269 56.110 56.400 -0.036 0.000 0.876 99 E CB 0.943 30.625 29.700 -0.030 0.000 1.009 99 E HN -0.001 nan 8.360 nan 0.000 0.416 100 T N -0.006 114.528 114.554 -0.032 0.000 2.900 100 T HA 0.037 4.389 4.350 0.004 0.000 0.307 100 T C 1.301 175.974 174.700 -0.046 0.000 1.065 100 T CA -0.191 61.889 62.100 -0.034 0.000 1.105 100 T CB 1.204 70.050 68.868 -0.036 0.000 0.979 100 T HN 0.410 nan 8.240 nan 0.000 0.544 101 V N -1.066 118.811 119.914 -0.062 0.000 3.380 101 V HA 0.078 4.200 4.120 0.004 0.000 0.268 101 V C 1.506 177.552 176.094 -0.081 0.000 1.168 101 V CA 0.921 63.175 62.300 -0.077 0.000 1.156 101 V CB -1.035 30.715 31.823 -0.122 0.000 0.785 101 V HN 0.770 nan 8.190 nan 0.000 0.487 102 D N 1.349 121.703 120.400 -0.076 0.000 2.149 102 D HA -0.179 4.464 4.640 0.004 0.000 0.198 102 D C 2.171 178.441 176.300 -0.050 0.000 0.990 102 D CA 1.894 55.851 54.000 -0.072 0.000 0.839 102 D CB -0.301 40.462 40.800 -0.063 0.000 0.948 102 D HN 0.536 nan 8.370 nan 0.000 0.460 103 R N 0.137 120.615 120.500 -0.038 0.000 2.070 103 R HA -0.051 4.292 4.340 0.004 0.000 0.233 103 R C 1.977 178.267 176.300 -0.018 0.000 1.137 103 R CA 1.092 57.177 56.100 -0.025 0.000 0.945 103 R CB -0.217 30.070 30.300 -0.021 0.000 0.845 103 R HN 0.213 nan 8.270 nan 0.000 0.430 104 L N 0.078 121.291 121.223 -0.017 0.000 2.416 104 L HA 0.129 4.472 4.340 0.004 0.000 0.216 104 L C 0.585 177.464 176.870 0.015 0.000 1.098 104 L CA 0.228 55.067 54.840 -0.002 0.000 0.840 104 L CB 0.412 42.470 42.059 -0.001 0.000 0.981 104 L HN 0.162 nan 8.230 nan 0.000 0.462 105 L N 0.988 122.204 121.223 -0.012 0.000 2.732 105 L HA 0.242 4.584 4.340 0.004 0.000 0.246 105 L C -1.622 175.197 176.870 -0.085 0.000 1.407 105 L CA -0.919 53.911 54.840 -0.016 0.000 0.861 105 L CB 0.633 42.654 42.059 -0.065 0.000 1.161 105 L HN -0.134 nan 8.230 nan 0.000 0.510 106 P HA -0.153 nan 4.420 nan 0.000 0.223 106 P C 0.696 177.958 177.300 -0.062 0.000 1.151 106 P CA 1.118 64.184 63.100 -0.057 0.000 0.787 106 P CB 0.234 31.919 31.700 -0.025 0.000 0.788 107 D N 0.088 120.480 120.400 -0.014 0.000 2.178 107 D HA -0.148 4.494 4.640 0.004 0.000 0.202 107 D C 1.980 178.212 176.300 -0.113 0.000 0.974 107 D CA 0.657 54.675 54.000 0.030 0.000 0.841 107 D CB -1.192 39.723 40.800 0.192 0.000 0.953 107 D HN 0.134 nan 8.370 nan 0.000 0.478 108 L N 0.829 121.793 121.223 -0.431 0.000 2.068 108 L HA 0.034 4.376 4.340 0.004 0.000 0.204 108 L C 2.133 178.730 176.870 -0.455 0.000 1.076 108 L CA 1.456 55.793 54.840 -0.839 0.000 0.753 108 L CB -0.803 40.382 42.059 -1.457 0.000 0.910 108 L HN -0.109 nan 8.230 nan 0.000 0.439 109 S N 0.132 115.641 115.700 -0.318 0.000 2.400 109 S HA -0.139 4.334 4.470 0.004 0.000 0.232 109 S C 1.972 176.470 174.600 -0.170 0.000 1.025 109 S CA 1.111 59.180 58.200 -0.220 0.000 0.993 109 S CB -0.575 62.531 63.200 -0.156 0.000 0.808 109 S HN 0.656 nan 8.310 nan 0.000 0.478 110 A N 0.811 123.547 122.820 -0.141 0.000 2.167 110 A HA 0.224 4.546 4.320 0.004 0.000 0.214 110 A C 0.924 178.447 177.584 -0.102 0.000 1.151 110 A CA 0.404 52.382 52.037 -0.098 0.000 0.735 110 A CB -0.385 18.579 19.000 -0.060 0.000 0.802 110 A HN 0.434 nan 8.150 nan 0.000 0.467 111 M N 1.584 121.101 119.600 -0.137 0.000 2.217 111 M HA 0.231 4.714 4.480 0.004 0.000 0.354 111 M C -2.146 174.067 176.300 -0.145 0.000 1.225 111 M CA -1.519 53.707 55.300 -0.125 0.000 1.137 111 M CB 0.530 33.048 32.600 -0.137 0.000 1.576 111 M HN 0.064 nan 8.290 nan 0.000 0.461 112 P HA 0.317 nan 4.420 nan 0.000 0.279 112 P C -0.971 176.213 177.300 -0.193 0.000 1.276 112 P CA -0.532 62.479 63.100 -0.149 0.000 0.801 112 P CB 0.858 32.480 31.700 -0.130 0.000 1.127 113 V N 1.471 121.269 119.914 -0.193 0.000 2.394 113 V HA 0.128 4.250 4.120 0.004 0.000 0.282 113 V C 0.459 176.405 176.094 -0.246 0.000 1.031 113 V CA -0.686 61.482 62.300 -0.220 0.000 0.881 113 V CB 0.966 32.676 31.823 -0.189 0.000 0.982 113 V HN 0.378 nan 8.190 nan 0.000 0.451 114 L N 4.587 125.624 121.223 -0.311 0.000 2.342 114 L HA 0.315 4.657 4.340 0.004 0.000 0.285 114 L C 1.061 177.770 176.870 -0.267 0.000 1.095 114 L CA 0.796 55.419 54.840 -0.361 0.000 0.843 114 L CB 0.365 42.125 42.059 -0.498 0.000 1.201 114 L HN 0.794 nan 8.230 nan 0.000 0.445 115 E N 3.112 123.172 120.200 -0.233 0.000 2.250 115 E HA 0.282 4.634 4.350 0.004 0.000 0.192 115 E C 0.613 177.144 176.600 -0.115 0.000 0.986 115 E CA 0.583 56.893 56.400 -0.150 0.000 0.849 115 E CB 0.353 29.978 29.700 -0.125 0.000 0.797 115 E HN 0.941 nan 8.360 nan 0.000 0.482 116 G N -0.739 107.936 108.800 -0.208 0.000 2.368 116 G HA2 0.182 4.144 3.960 0.004 0.000 0.269 116 G HA3 0.182 4.144 3.960 0.004 0.000 0.269 116 G C -1.659 173.020 174.900 -0.369 0.000 1.291 116 G CA -0.897 44.136 45.100 -0.112 0.000 0.903 116 G HN 0.053 nan 8.290 nan 0.000 0.483 117 F N 1.722 121.693 119.950 0.035 0.000 2.561 117 F HA 0.463 4.992 4.527 0.004 0.000 0.313 117 F C 0.127 175.949 175.800 0.035 0.000 1.126 117 F CA -0.630 57.398 58.000 0.045 0.000 0.918 117 F CB 2.246 41.285 39.000 0.065 0.000 1.199 117 F HN 0.703 nan 8.300 nan 0.000 0.444 118 D N 0.396 120.899 120.400 0.173 0.000 2.372 118 D HA 0.006 4.648 4.640 0.004 0.000 0.243 118 D C 0.581 176.952 176.300 0.119 0.000 1.297 118 D CA -0.149 53.918 54.000 0.112 0.000 0.958 118 D CB 0.630 41.473 40.800 0.071 0.000 1.114 118 D HN 0.409 nan 8.370 nan 0.000 0.496 119 D N -0.692 119.755 120.400 0.079 0.000 2.219 119 D HA -0.079 4.564 4.640 0.004 0.000 0.205 119 D C 1.900 178.237 176.300 0.062 0.000 0.970 119 D CA 1.416 55.454 54.000 0.064 0.000 0.851 119 D CB -0.386 40.440 40.800 0.044 0.000 0.943 119 D HN 0.549 nan 8.370 nan 0.000 0.488 120 A N 0.087 122.947 122.820 0.067 0.000 2.019 120 A HA 0.149 4.471 4.320 0.004 0.000 0.219 120 A C 1.984 179.619 177.584 0.085 0.000 1.164 120 A CA 1.959 54.036 52.037 0.066 0.000 0.644 120 A CB -0.288 18.749 19.000 0.062 0.000 0.805 120 A HN 0.324 nan 8.150 nan 0.000 0.449 121 G N -1.819 107.056 108.800 0.126 0.000 2.179 121 G HA2 -0.202 3.761 3.960 0.004 0.000 0.220 121 G HA3 -0.202 3.761 3.960 0.004 0.000 0.220 121 G C -0.151 174.916 174.900 0.278 0.000 0.990 121 G CA 0.106 45.300 45.100 0.156 0.000 0.646 121 G HN 0.523 nan 8.290 nan 0.000 0.517 122 N N 0.932 119.787 118.700 0.258 0.000 2.515 122 N HA 0.640 5.382 4.740 0.004 0.000 0.279 122 N C 0.526 176.195 175.510 0.265 0.000 1.164 122 N CA 0.428 53.651 53.050 0.288 0.000 0.982 122 N CB 1.177 39.767 38.487 0.172 0.000 1.170 122 N HN 0.734 nan 8.380 nan 0.000 0.474 123 A N 0.976 123.889 122.820 0.155 0.000 2.477 123 A HA 0.176 4.498 4.320 0.004 0.000 0.246 123 A C 0.445 177.881 177.584 -0.245 0.000 1.078 123 A CA -0.029 51.817 52.037 -0.318 0.000 0.770 123 A CB -0.133 18.659 19.000 -0.345 0.000 1.011 123 A HN 0.643 nan 8.150 nan 0.000 0.494 124 R N 2.784 123.067 120.500 -0.361 0.000 2.247 124 R HA 0.530 4.873 4.340 0.004 0.000 0.329 124 R C -1.237 174.925 176.300 -0.230 0.000 1.014 124 R CA -0.176 55.798 56.100 -0.211 0.000 0.907 124 R CB 0.111 30.318 30.300 -0.155 0.000 1.146 124 R HN 0.741 nan 8.270 nan 0.000 0.499 125 L N 4.581 125.699 121.223 -0.175 0.000 2.344 125 L HA 0.673 5.016 4.340 0.004 0.000 0.272 125 L C 0.148 176.942 176.870 -0.127 0.000 1.035 125 L CA -0.824 53.913 54.840 -0.171 0.000 0.807 125 L CB 1.635 43.607 42.059 -0.146 0.000 1.237 125 L HN 0.647 nan 8.230 nan 0.000 0.442 126 R N -0.019 120.403 120.500 -0.130 0.000 2.781 126 R HA 0.487 4.830 4.340 0.004 0.000 0.269 126 R C -1.175 175.061 176.300 -0.108 0.000 1.025 126 R CA -0.976 55.061 56.100 -0.104 0.000 0.914 126 R CB 1.367 31.609 30.300 -0.096 0.000 1.236 126 R HN 0.433 nan 8.270 nan 0.000 0.465 127 E N 1.384 121.529 120.200 -0.091 0.000 2.373 127 E HA 0.061 4.413 4.350 0.004 0.000 0.267 127 E C -0.519 176.019 176.600 -0.103 0.000 1.032 127 E CA -0.486 55.858 56.400 -0.092 0.000 0.889 127 E CB 0.939 30.595 29.700 -0.074 0.000 0.984 127 E HN 0.380 nan 8.360 nan 0.000 0.425 128 R N 3.144 123.574 120.500 -0.117 0.000 2.623 128 R HA 0.047 4.389 4.340 0.004 0.000 0.271 128 R C -0.451 175.785 176.300 -0.108 0.000 1.043 128 R CA 0.145 56.168 56.100 -0.128 0.000 1.083 128 R CB 0.540 30.750 30.300 -0.151 0.000 0.974 128 R HN 0.455 nan 8.270 nan 0.000 0.436 129 R N 2.897 123.333 120.500 -0.107 0.000 2.255 129 R HA 0.383 4.725 4.340 0.004 0.000 0.326 129 R C -0.221 176.022 176.300 -0.095 0.000 0.986 129 R CA 0.048 56.095 56.100 -0.088 0.000 0.847 129 R CB 1.722 31.977 30.300 -0.076 0.000 1.111 129 R HN 1.004 nan 8.270 nan 0.000 0.452 130 G N 2.502 111.254 108.800 -0.079 0.000 2.746 130 G HA2 -0.189 3.773 3.960 0.004 0.000 0.685 130 G HA3 -0.189 3.773 3.960 0.004 0.000 0.685 130 G C -1.128 173.719 174.900 -0.087 0.000 1.350 130 G CA -0.970 44.087 45.100 -0.072 0.000 0.837 130 G HN 0.347 nan 8.290 nan 0.000 0.564 131 K N -0.181 120.184 120.400 -0.059 0.000 2.156 131 K HA 0.619 4.941 4.320 0.004 0.000 0.254 131 K C 0.607 177.182 176.600 -0.042 0.000 0.950 131 K CA -0.911 55.340 56.287 -0.061 0.000 0.849 131 K CB 1.654 34.133 32.500 -0.035 0.000 1.100 131 K HN 0.536 nan 8.250 nan 0.000 0.434 132 I N 2.172 122.693 120.570 -0.082 0.000 2.496 132 I HA 0.020 4.193 4.170 0.004 0.000 0.285 132 I C 1.115 177.280 176.117 0.078 0.000 1.080 132 I CA -0.018 61.267 61.300 -0.024 0.000 1.404 132 I CB 0.760 38.666 38.000 -0.157 0.000 1.403 132 I HN 0.626 nan 8.210 nan 0.000 0.539 133 T N 2.963 117.673 114.554 0.259 0.000 2.948 133 T HA 0.276 4.628 4.350 0.004 0.000 0.285 133 T C 0.761 175.445 174.700 -0.027 0.000 1.019 133 T CA -0.849 61.264 62.100 0.021 0.000 1.013 133 T CB 1.592 70.384 68.868 -0.126 0.000 1.117 133 T HN 0.408 nan 8.240 nan 0.000 0.533 134 L N 0.507 121.695 121.223 -0.058 0.000 2.079 134 L HA 0.096 4.438 4.340 0.004 0.000 0.210 134 L C 2.758 179.587 176.870 -0.068 0.000 1.081 134 L CA 1.704 56.512 54.840 -0.054 0.000 0.752 134 L CB -0.990 41.042 42.059 -0.045 0.000 0.896 134 L HN 0.830 nan 8.230 nan 0.000 0.433 135 R N -1.763 118.667 120.500 -0.117 0.000 2.115 135 R HA -0.153 4.190 4.340 0.004 0.000 0.230 135 R C 2.200 178.427 176.300 -0.123 0.000 1.111 135 R CA 1.389 57.415 56.100 -0.124 0.000 0.976 135 R CB -0.255 29.948 30.300 -0.162 0.000 0.870 135 R HN 0.566 nan 8.270 nan 0.000 0.445 136 H N -0.148 118.880 119.070 -0.069 0.000 2.353 136 H HA -0.120 4.438 4.556 0.004 0.000 0.300 136 H C 2.062 177.294 175.328 -0.160 0.000 1.090 136 H CA 1.706 57.692 56.048 -0.103 0.000 1.327 136 H CB 0.052 29.742 29.762 -0.119 0.000 1.383 136 H HN 0.138 nan 8.280 nan 0.000 0.508 137 L N 0.124 121.323 121.223 -0.041 0.000 2.027 137 L HA -0.172 4.170 4.340 0.004 0.000 0.206 137 L C 2.121 178.858 176.870 -0.221 0.000 1.074 137 L CA 0.927 55.682 54.840 -0.142 0.000 0.745 137 L CB -0.341 41.666 42.059 -0.087 0.000 0.898 137 L HN 0.307 nan 8.230 nan 0.000 0.433 138 L N -0.417 120.738 121.223 -0.114 0.000 2.275 138 L HA -0.119 4.223 4.340 0.004 0.000 0.215 138 L C 2.223 179.099 176.870 0.011 0.000 1.119 138 L CA 1.525 56.329 54.840 -0.060 0.000 0.790 138 L CB -0.706 41.360 42.059 0.012 0.000 0.919 138 L HN 0.460 nan 8.230 nan 0.000 0.443 139 T N -5.815 108.727 114.554 -0.020 0.000 3.092 139 T HA 0.063 4.416 4.350 0.004 0.000 0.258 139 T C 0.568 175.139 174.700 -0.214 0.000 1.031 139 T CA -0.389 61.757 62.100 0.076 0.000 0.925 139 T CB -0.116 68.861 68.868 0.182 0.000 1.036 139 T HN 0.289 nan 8.240 nan 0.000 0.544 140 H N 1.610 120.458 119.070 -0.370 0.000 2.770 140 H HA -0.131 4.427 4.556 0.003 0.000 0.309 140 H C 0.483 175.453 175.328 -0.595 0.000 1.206 140 H CA 1.276 56.950 56.048 -0.624 0.000 1.147 140 H CB -2.151 26.950 29.762 -1.102 0.000 1.422 140 H HN 0.741 nan 8.280 nan 0.000 0.420 141 T N -3.949 110.480 114.554 -0.209 0.000 3.252 141 T HA 0.184 4.536 4.350 0.004 0.000 0.286 141 T C 1.572 176.160 174.700 -0.187 0.000 1.013 141 T CA 0.263 62.290 62.100 -0.121 0.000 0.914 141 T CB 0.273 69.188 68.868 0.078 0.000 1.131 141 T HN 0.335 nan 8.240 nan 0.000 0.529 142 S N 0.729 116.291 115.700 -0.230 0.000 2.461 142 S HA 0.404 4.876 4.470 0.004 0.000 0.228 142 S C 2.099 176.513 174.600 -0.310 0.000 1.005 142 S CA 0.691 58.718 58.200 -0.289 0.000 0.942 142 S CB -0.557 62.501 63.200 -0.237 0.000 0.776 142 S HN 1.324 nan 8.310 nan 0.000 0.514 143 G N 0.533 109.164 108.800 -0.282 0.000 2.195 143 G HA2 -0.182 3.781 3.960 0.004 0.000 0.224 143 G HA3 -0.182 3.781 3.960 0.004 0.000 0.224 143 G C -0.069 174.661 174.900 -0.284 0.000 0.990 143 G CA -0.011 44.928 45.100 -0.268 0.000 0.639 143 G HN 0.499 nan 8.290 nan 0.000 0.514 144 L N 1.273 122.324 121.223 -0.286 0.000 2.417 144 L HA 0.670 5.012 4.340 0.004 0.000 0.268 144 L C 0.919 177.596 176.870 -0.322 0.000 1.158 144 L CA 0.263 54.932 54.840 -0.284 0.000 0.819 144 L CB 1.549 43.462 42.059 -0.243 0.000 1.112 144 L HN 0.262 nan 8.230 nan 0.000 0.458 145 S N 0.691 116.195 115.700 -0.328 0.000 2.874 145 S HA 0.609 5.082 4.470 0.004 0.000 0.318 145 S C -1.375 173.005 174.600 -0.367 0.000 1.109 145 S CA -0.461 57.554 58.200 -0.307 0.000 0.878 145 S CB 0.968 64.029 63.200 -0.233 0.000 1.307 145 S HN 0.299 nan 8.310 nan 0.000 0.592 146 Y N 0.311 120.467 120.300 -0.241 0.000 2.429 146 Y HA 0.422 4.974 4.550 0.003 0.000 0.342 146 Y C 1.169 176.953 175.900 -0.194 0.000 1.004 146 Y CA -0.578 57.366 58.100 -0.259 0.000 1.075 146 Y CB 1.561 39.703 38.460 -0.531 0.000 1.214 146 Y HN 0.351 nan 8.280 nan 0.000 0.455 147 V N 2.741 122.741 119.914 0.143 0.000 2.343 147 V HA -0.340 3.782 4.120 0.004 0.000 0.247 147 V C 1.881 178.073 176.094 0.164 0.000 1.051 147 V CA 2.332 64.725 62.300 0.154 0.000 1.036 147 V CB -0.794 31.146 31.823 0.197 0.000 0.654 147 V HN 0.855 nan 8.190 nan 0.000 0.451 148 F N -1.323 118.719 119.950 0.154 0.000 2.771 148 F HA 0.108 4.637 4.527 0.003 0.000 0.299 148 F C 1.630 177.504 175.800 0.123 0.000 1.177 148 F CA 1.160 59.225 58.000 0.108 0.000 1.450 148 F CB -0.491 38.539 39.000 0.050 0.000 1.114 148 F HN 0.062 nan 8.300 nan 0.000 0.587 149 L N -1.067 119.961 121.223 -0.325 0.000 2.577 149 L HA 0.184 4.527 4.340 0.004 0.000 0.225 149 L C 0.475 177.363 176.870 0.030 0.000 1.053 149 L CA 0.001 54.730 54.840 -0.185 0.000 0.866 149 L CB -0.041 41.841 42.059 -0.296 0.000 1.132 149 L HN 0.146 nan 8.230 nan 0.000 0.486 150 H N 1.426 120.482 119.070 -0.024 0.000 2.459 150 H HA 0.199 4.757 4.556 0.004 0.000 0.332 150 H C -1.853 173.507 175.328 0.054 0.000 1.094 150 H CA -1.837 54.221 56.048 0.018 0.000 1.224 150 H CB 2.381 32.133 29.762 -0.016 0.000 1.449 150 H HN -0.133 nan 8.280 nan 0.000 0.484 151 P HA -0.128 nan 4.420 nan 0.000 0.217 151 P C 1.747 179.158 177.300 0.185 0.000 1.150 151 P CA 0.725 63.855 63.100 0.051 0.000 0.832 151 P CB 0.670 32.351 31.700 -0.030 0.000 0.787 152 L N -0.974 120.458 121.223 0.350 0.000 2.012 152 L HA -0.163 4.180 4.340 0.004 0.000 0.210 152 L C 2.856 179.968 176.870 0.402 0.000 1.073 152 L CA 1.402 56.505 54.840 0.439 0.000 0.748 152 L CB -0.984 41.319 42.059 0.406 0.000 0.891 152 L HN -0.089 nan 8.230 nan 0.000 0.431 153 L N -0.921 120.485 121.223 0.305 0.000 2.093 153 L HA -0.173 4.169 4.340 0.004 0.000 0.208 153 L C 2.828 179.861 176.870 0.272 0.000 1.085 153 L CA 1.040 56.017 54.840 0.227 0.000 0.755 153 L CB -0.448 41.678 42.059 0.112 0.000 0.904 153 L HN 0.215 nan 8.230 nan 0.000 0.435 154 R N -0.025 120.606 120.500 0.219 0.000 2.081 154 R HA -0.222 4.120 4.340 0.004 0.000 0.235 154 R C 2.200 178.587 176.300 0.146 0.000 1.131 154 R CA 1.665 57.867 56.100 0.170 0.000 0.960 154 R CB -0.199 30.177 30.300 0.128 0.000 0.856 154 R HN 0.392 nan 8.270 nan 0.000 0.436 155 E N -0.260 120.014 120.200 0.123 0.000 2.150 155 E HA -0.211 4.141 4.350 0.004 0.000 0.193 155 E C 1.628 178.310 176.600 0.137 0.000 0.985 155 E CA 0.842 57.232 56.400 -0.016 0.000 0.814 155 E CB -0.067 29.441 29.700 -0.321 0.000 0.752 155 E HN 0.365 nan 8.360 nan 0.000 0.466 156 Y N 0.526 120.982 120.300 0.261 0.000 2.128 156 Y HA -0.276 4.277 4.550 0.004 0.000 0.284 156 Y C 2.445 178.542 175.900 0.329 0.000 1.154 156 Y CA 2.149 60.474 58.100 0.375 0.000 1.149 156 Y CB -0.043 38.563 38.460 0.242 0.000 0.976 156 Y HN 0.104 nan 8.280 nan 0.000 0.505 157 M N -0.626 119.159 119.600 0.309 0.000 2.132 157 M HA -0.176 4.307 4.480 0.004 0.000 0.263 157 M C 2.330 178.690 176.300 0.101 0.000 1.065 157 M CA 1.858 57.269 55.300 0.184 0.000 1.122 157 M CB -0.241 32.461 32.600 0.170 0.000 1.365 157 M HN 0.336 nan 8.290 nan 0.000 0.411 158 A N -0.025 122.847 122.820 0.087 0.000 1.917 158 A HA -0.221 4.101 4.320 0.004 0.000 0.219 158 A C 1.959 179.543 177.584 -0.001 0.000 1.182 158 A CA 1.647 53.702 52.037 0.029 0.000 0.633 158 A CB -0.800 18.204 19.000 0.006 0.000 0.819 158 A HN 0.643 nan 8.150 nan 0.000 0.448 159 Q N -1.459 118.355 119.800 0.025 0.000 2.488 159 Q HA 0.085 4.428 4.340 0.004 0.000 0.211 159 Q C 0.958 176.838 176.000 -0.200 0.000 0.967 159 Q CA 0.838 56.628 55.803 -0.023 0.000 0.926 159 Q CB -0.162 28.679 28.738 0.172 0.000 0.992 159 Q HN 1.064 nan 8.270 nan 0.000 0.506 160 G N 0.563 109.276 108.800 -0.145 0.000 2.414 160 G HA2 -0.261 3.702 3.960 0.004 0.000 0.256 160 G HA3 -0.261 3.702 3.960 0.004 0.000 0.256 160 G C -0.068 174.626 174.900 -0.342 0.000 1.128 160 G CA -0.028 44.952 45.100 -0.199 0.000 0.944 160 G HN 0.371 nan 8.290 nan 0.000 0.500 161 Y N -0.915 119.266 120.300 -0.198 0.000 2.458 161 Y HA 0.445 4.997 4.550 0.004 0.000 0.254 161 Y C 1.785 177.638 175.900 -0.078 0.000 1.120 161 Y CA 0.268 58.219 58.100 -0.249 0.000 1.282 161 Y CB 0.700 38.712 38.460 -0.746 0.000 1.109 161 Y HN 0.339 nan 8.280 nan 0.000 0.526 162 L N 1.756 123.042 121.223 0.106 0.000 2.783 162 L HA 0.240 4.582 4.340 0.004 0.000 0.265 162 L C 0.863 177.775 176.870 0.070 0.000 1.398 162 L CA -0.199 54.716 54.840 0.125 0.000 0.802 162 L CB 0.476 42.648 42.059 0.187 0.000 1.126 162 L HN 0.100 nan 8.230 nan 0.000 0.529 163 Q N -0.362 119.458 119.800 0.034 0.000 2.442 163 Q HA 0.018 4.360 4.340 0.004 0.000 0.228 163 Q C 1.588 177.593 176.000 0.008 0.000 0.902 163 Q CA 1.356 57.167 55.803 0.013 0.000 0.933 163 Q CB -0.056 28.676 28.738 -0.010 0.000 1.071 163 Q HN 0.441 nan 8.270 nan 0.000 0.562 164 S N 0.316 116.022 115.700 0.011 0.000 2.522 164 S HA 0.273 4.745 4.470 0.004 0.000 0.227 164 S C 1.914 176.517 174.600 0.004 0.000 0.986 164 S CA 0.484 58.686 58.200 0.003 0.000 0.929 164 S CB -0.014 63.190 63.200 0.006 0.000 0.769 164 S HN 0.471 nan 8.310 nan 0.000 0.529 165 A N 2.260 125.093 122.820 0.022 0.000 1.930 165 A HA 0.074 4.396 4.320 0.004 0.000 0.215 165 A C 1.236 178.826 177.584 0.010 0.000 1.176 165 A CA 0.688 52.741 52.037 0.027 0.000 0.632 165 A CB -0.655 18.377 19.000 0.053 0.000 0.819 165 A HN 0.856 nan 8.150 nan 0.000 0.445 166 E N -0.601 119.601 120.200 0.004 0.000 2.408 166 E HA 0.491 4.843 4.350 0.004 0.000 0.259 166 E C -0.297 176.260 176.600 -0.072 0.000 1.110 166 E CA 0.127 56.522 56.400 -0.007 0.000 0.929 166 E CB 0.278 29.979 29.700 0.002 0.000 0.971 166 E HN 0.261 nan 8.360 nan 0.000 0.438 167 K N 1.895 122.234 120.400 -0.101 0.000 2.553 167 K HA 0.410 4.733 4.320 0.004 0.000 0.250 167 K C -0.565 175.888 176.600 -0.245 0.000 0.953 167 K CA -0.401 55.686 56.287 -0.333 0.000 0.800 167 K CB 0.201 32.422 32.500 -0.464 0.000 1.243 167 K HN 0.575 nan 8.250 nan 0.000 0.435 168 F N 0.480 120.448 119.950 0.029 0.000 3.057 168 F HA -0.213 4.317 4.527 0.004 0.000 0.287 168 F C 1.554 177.348 175.800 -0.009 0.000 0.834 168 F CA 1.950 59.960 58.000 0.017 0.000 1.147 168 F CB -1.969 37.050 39.000 0.031 0.000 1.245 168 F HN 1.914 nan 8.300 nan 0.000 0.509 169 G N -0.871 107.984 108.800 0.093 0.000 2.176 169 G HA2 -0.318 3.645 3.960 0.004 0.000 0.253 169 G HA3 -0.318 3.645 3.960 0.004 0.000 0.253 169 G C 0.189 175.067 174.900 -0.036 0.000 0.979 169 G CA -0.005 45.105 45.100 0.016 0.000 0.641 169 G HN 0.552 nan 8.290 nan 0.000 0.530 170 I N 1.445 122.023 120.570 0.013 0.000 2.353 170 I HA 0.342 4.514 4.170 0.004 0.000 0.293 170 I C 0.755 176.910 176.117 0.063 0.000 0.992 170 I CA -0.715 60.599 61.300 0.024 0.000 1.268 170 I CB 1.628 39.726 38.000 0.163 0.000 1.387 170 I HN 0.291 nan 8.210 nan 0.000 0.478 171 Q N 4.631 124.458 119.800 0.045 0.000 2.364 171 Q HA 0.077 4.419 4.340 0.004 0.000 0.267 171 Q C 0.092 176.096 176.000 0.006 0.000 0.999 171 Q CA -0.204 55.620 55.803 0.034 0.000 0.886 171 Q CB 1.005 29.772 28.738 0.048 0.000 1.243 171 Q HN 0.692 nan 8.270 nan 0.000 0.415 172 S N 3.661 119.377 115.700 0.028 0.000 2.519 172 S HA 0.043 4.516 4.470 0.004 0.000 0.310 172 S C 0.846 175.401 174.600 -0.075 0.000 1.201 172 S CA -0.360 57.857 58.200 0.028 0.000 1.179 172 S CB 0.109 63.340 63.200 0.053 0.000 1.104 172 S HN 0.679 nan 8.310 nan 0.000 0.527 173 R N 3.811 124.136 120.500 -0.291 0.000 2.285 173 R HA 0.059 4.401 4.340 0.004 0.000 0.213 173 R C 1.134 177.291 176.300 -0.238 0.000 1.068 173 R CA 0.783 56.677 56.100 -0.345 0.000 1.004 173 R CB -0.306 29.561 30.300 -0.720 0.000 0.873 173 R HN 0.675 nan 8.270 nan 0.000 0.467 174 L N -1.263 119.853 121.223 -0.179 0.000 2.590 174 L HA 0.216 4.558 4.340 0.004 0.000 0.227 174 L C 2.143 179.073 176.870 0.100 0.000 1.099 174 L CA 0.184 54.916 54.840 -0.180 0.000 0.872 174 L CB -0.114 41.675 42.059 -0.450 0.000 1.088 174 L HN -0.014 nan 8.230 nan 0.000 0.479 175 A N 0.437 123.301 122.820 0.073 0.000 1.898 175 A HA 0.111 4.433 4.320 0.004 0.000 0.214 175 A C -1.330 176.323 177.584 0.115 0.000 1.183 175 A CA 0.480 52.585 52.037 0.114 0.000 0.622 175 A CB -1.439 17.625 19.000 0.106 0.000 0.824 175 A HN 0.178 nan 8.150 nan 0.000 0.444 176 P HA 0.204 nan 4.420 nan 0.000 0.267 176 P C -2.470 174.780 177.300 -0.084 0.000 1.200 176 P CA -0.966 62.145 63.100 0.018 0.000 0.772 176 P CB 0.123 31.824 31.700 0.002 0.000 0.855 177 P HA 0.167 nan 4.420 nan 0.000 0.274 177 P C -0.669 176.459 177.300 -0.286 0.000 1.256 177 P CA -0.310 62.621 63.100 -0.282 0.000 0.795 177 P CB 0.514 31.952 31.700 -0.438 0.000 1.038 178 A N 0.672 123.330 122.820 -0.269 0.000 2.313 178 A HA 0.333 4.655 4.320 0.004 0.000 0.261 178 A C 1.088 178.479 177.584 -0.322 0.000 1.090 178 A CA 0.035 51.902 52.037 -0.284 0.000 0.807 178 A CB -0.128 18.713 19.000 -0.265 0.000 1.055 178 A HN 0.457 nan 8.150 nan 0.000 0.492 179 V N -1.713 117.991 119.914 -0.350 0.000 3.528 179 V HA 0.360 4.482 4.120 0.004 0.000 0.294 179 V C 0.207 176.146 176.094 -0.258 0.000 1.404 179 V CA 0.451 62.525 62.300 -0.377 0.000 1.065 179 V CB -0.944 30.459 31.823 -0.700 0.000 0.904 179 V HN 0.762 nan 8.190 nan 0.000 0.435 180 N N -0.257 118.303 118.700 -0.232 0.000 3.106 180 N HA 0.316 5.059 4.740 0.004 0.000 0.253 180 N C -1.858 173.536 175.510 -0.193 0.000 1.506 180 N CA -0.382 52.562 53.050 -0.178 0.000 0.876 180 N CB 2.252 40.652 38.487 -0.146 0.000 1.452 180 N HN 0.187 nan 8.380 nan 0.000 0.542 181 D N 0.913 121.211 120.400 -0.170 0.000 2.313 181 D HA 0.324 4.966 4.640 0.004 0.000 0.247 181 D C -2.083 174.073 176.300 -0.240 0.000 1.094 181 D CA -0.747 53.139 54.000 -0.189 0.000 0.925 181 D CB 0.743 41.455 40.800 -0.147 0.000 1.188 181 D HN 0.297 nan 8.370 nan 0.000 0.430 182 P HA 0.049 nan 4.420 nan 0.000 0.268 182 P C 0.833 177.857 177.300 -0.460 0.000 1.205 182 P CA 0.242 63.013 63.100 -0.549 0.000 0.771 182 P CB 0.710 31.955 31.700 -0.758 0.000 0.858 183 G N 2.185 110.744 108.800 -0.402 0.000 2.205 183 G HA2 -0.361 3.602 3.960 0.004 0.000 0.261 183 G HA3 -0.361 3.602 3.960 0.004 0.000 0.261 183 G C 1.096 175.968 174.900 -0.047 0.000 0.980 183 G CA 0.583 45.633 45.100 -0.083 0.000 0.632 183 G HN 0.718 nan 8.290 nan 0.000 0.533 184 A N 0.218 122.984 122.820 -0.090 0.000 1.898 184 A HA 0.497 4.819 4.320 0.004 0.000 0.214 184 A C 1.039 178.610 177.584 -0.022 0.000 1.183 184 A CA 2.057 54.061 52.037 -0.054 0.000 0.622 184 A CB -0.118 18.836 19.000 -0.077 0.000 0.824 184 A HN 1.383 nan 8.150 nan 0.000 0.444 185 E N -3.684 116.498 120.200 -0.030 0.000 2.407 185 E HA 0.349 4.701 4.350 0.004 0.000 0.279 185 E C -1.356 175.260 176.600 0.026 0.000 1.012 185 E CA -1.048 55.364 56.400 0.019 0.000 0.800 185 E CB 0.268 29.973 29.700 0.009 0.000 1.276 185 E HN 0.265 nan 8.360 nan 0.000 0.452 186 W N 3.227 124.473 121.300 -0.089 0.000 2.356 186 W HA 0.456 5.118 4.660 0.003 0.000 0.311 186 W C -1.027 175.397 176.519 -0.158 0.000 1.328 186 W CA 0.008 57.279 57.345 -0.123 0.000 1.251 186 W CB 0.430 29.814 29.460 -0.127 0.000 1.280 186 W HN 0.425 nan 8.180 nan 0.000 0.524 187 I N 8.105 128.251 120.570 -0.705 0.000 2.548 187 I HA 0.044 4.216 4.170 0.004 0.000 0.287 187 I C -0.998 174.603 176.117 -0.860 0.000 1.103 187 I CA -1.363 59.578 61.300 -0.598 0.000 1.049 187 I CB 1.246 39.058 38.000 -0.313 0.000 1.232 187 I HN 0.216 nan 8.210 nan 0.000 0.429 188 Y N 5.751 125.477 120.300 -0.958 0.000 2.677 188 Y HA 0.487 5.039 4.550 0.003 0.000 0.335 188 Y C 0.485 176.230 175.900 -0.258 0.000 1.162 188 Y CA 0.365 58.057 58.100 -0.681 0.000 1.483 188 Y CB 0.330 38.745 38.460 -0.074 0.000 1.209 188 Y HN 0.669 nan 8.280 nan 0.000 0.528 189 G N 2.318 110.780 108.800 -0.564 0.000 2.782 189 G HA2 0.252 4.214 3.960 0.004 0.000 0.304 189 G HA3 0.252 4.214 3.960 0.004 0.000 0.304 189 G C -0.153 174.172 174.900 -0.959 0.000 1.315 189 G CA -0.287 44.322 45.100 -0.818 0.000 0.791 189 G HN 0.535 nan 8.290 nan 0.000 0.519 190 T N -0.821 113.197 114.554 -0.893 0.000 3.439 190 T HA 0.069 4.421 4.350 0.004 0.000 0.251 190 T C 1.341 175.938 174.700 -0.171 0.000 1.108 190 T CA 0.321 62.088 62.100 -0.556 0.000 0.982 190 T CB -0.371 68.254 68.868 -0.405 0.000 1.024 190 T HN 0.349 nan 8.240 nan 0.000 0.573 191 N N 1.504 120.088 118.700 -0.193 0.000 2.137 191 N HA -0.073 4.670 4.740 0.004 0.000 0.190 191 N C 1.418 176.896 175.510 -0.054 0.000 1.017 191 N CA 1.039 54.003 53.050 -0.143 0.000 0.859 191 N CB -0.142 38.093 38.487 -0.420 0.000 1.002 191 N HN 0.351 nan 8.380 nan 0.000 0.428 192 L N 1.424 122.613 121.223 -0.056 0.000 2.341 192 L HA -0.021 4.321 4.340 0.004 0.000 0.214 192 L C 1.590 178.497 176.870 0.061 0.000 1.115 192 L CA 1.079 55.934 54.840 0.025 0.000 0.820 192 L CB -0.955 41.156 42.059 0.086 0.000 0.944 192 L HN 0.078 nan 8.230 nan 0.000 0.452 193 D N -0.719 119.696 120.400 0.024 0.000 2.117 193 D HA -0.232 4.411 4.640 0.004 0.000 0.197 193 D C 2.118 178.375 176.300 -0.072 0.000 0.987 193 D CA 1.329 55.323 54.000 -0.011 0.000 0.829 193 D CB -0.109 40.606 40.800 -0.141 0.000 0.961 193 D HN 0.364 nan 8.370 nan 0.000 0.460 194 W N 1.597 122.882 121.300 -0.024 0.000 2.381 194 W HA -0.024 4.638 4.660 0.004 0.000 0.301 194 W C 2.712 179.202 176.519 -0.048 0.000 1.205 194 W CA 0.880 58.199 57.345 -0.042 0.000 1.285 194 W CB -0.213 29.197 29.460 -0.082 0.000 1.133 194 W HN -0.067 nan 8.180 nan 0.000 0.521 195 A N 0.470 123.388 122.820 0.165 0.000 1.933 195 A HA -0.064 4.258 4.320 0.004 0.000 0.218 195 A C 2.198 179.802 177.584 0.033 0.000 1.175 195 A CA 1.875 53.955 52.037 0.072 0.000 0.628 195 A CB -1.502 17.515 19.000 0.029 0.000 0.814 195 A HN 0.320 nan 8.150 nan 0.000 0.444 196 G N -0.063 108.756 108.800 0.030 0.000 2.440 196 G HA2 -0.239 3.723 3.960 0.004 0.000 0.218 196 G HA3 -0.239 3.723 3.960 0.004 0.000 0.218 196 G C 1.618 176.486 174.900 -0.054 0.000 1.154 196 G CA 1.093 46.182 45.100 -0.018 0.000 0.767 196 G HN 0.405 nan 8.290 nan 0.000 0.552 197 K N 0.149 120.535 120.400 -0.023 0.000 2.057 197 K HA 0.009 4.332 4.320 0.004 0.000 0.207 197 K C 2.434 179.040 176.600 0.009 0.000 1.049 197 K CA 0.708 56.984 56.287 -0.017 0.000 0.931 197 K CB -0.769 31.746 32.500 0.025 0.000 0.714 197 K HN 0.418 nan 8.250 nan 0.000 0.440 198 L N 0.962 122.209 121.223 0.040 0.000 2.046 198 L HA -0.181 4.161 4.340 0.004 0.000 0.208 198 L C 2.145 178.987 176.870 -0.047 0.000 1.077 198 L CA 1.030 55.878 54.840 0.014 0.000 0.747 198 L CB -0.136 41.936 42.059 0.022 0.000 0.896 198 L HN -0.143 nan 8.230 nan 0.000 0.432 199 V N 0.014 119.871 119.914 -0.095 0.000 2.343 199 V HA -0.282 3.840 4.120 0.004 0.000 0.247 199 V C 2.409 178.394 176.094 -0.183 0.000 1.051 199 V CA 2.139 64.320 62.300 -0.199 0.000 1.036 199 V CB -0.591 31.044 31.823 -0.313 0.000 0.654 199 V HN 0.507 nan 8.190 nan 0.000 0.451 200 E N -0.122 120.001 120.200 -0.128 0.000 2.077 200 E HA -0.221 4.131 4.350 0.004 0.000 0.193 200 E C 2.478 179.049 176.600 -0.050 0.000 0.989 200 E CA 1.246 57.594 56.400 -0.087 0.000 0.800 200 E CB -0.164 29.483 29.700 -0.087 0.000 0.746 200 E HN 0.549 nan 8.360 nan 0.000 0.452 201 R N 0.307 120.783 120.500 -0.039 0.000 2.090 201 R HA 0.005 4.347 4.340 0.004 0.000 0.228 201 R C 2.330 178.620 176.300 -0.017 0.000 1.110 201 R CA 0.959 57.049 56.100 -0.017 0.000 0.973 201 R CB -0.174 30.125 30.300 -0.001 0.000 0.869 201 R HN 0.078 nan 8.270 nan 0.000 0.440 202 A N 0.671 123.472 122.820 -0.030 0.000 1.969 202 A HA -0.135 4.187 4.320 0.004 0.000 0.218 202 A C 2.119 179.697 177.584 -0.010 0.000 1.169 202 A CA 1.885 53.908 52.037 -0.024 0.000 0.635 202 A CB -0.515 18.462 19.000 -0.039 0.000 0.810 202 A HN 0.472 nan 8.150 nan 0.000 0.445 203 T N -5.283 109.262 114.554 -0.015 0.000 3.037 203 T HA 0.397 4.749 4.350 0.004 0.000 0.251 203 T C 1.517 176.245 174.700 0.046 0.000 1.079 203 T CA 1.112 63.235 62.100 0.037 0.000 1.067 203 T CB 0.107 69.023 68.868 0.080 0.000 0.948 203 T HN 1.626 nan 8.240 nan 0.000 0.496 204 G N 1.507 110.320 108.800 0.022 0.000 2.168 204 G HA2 -0.213 3.750 3.960 0.004 0.000 0.263 204 G HA3 -0.213 3.750 3.960 0.004 0.000 0.263 204 G C -0.060 174.859 174.900 0.032 0.000 0.977 204 G CA 0.523 45.636 45.100 0.022 0.000 0.659 204 G HN 0.646 nan 8.290 nan 0.000 0.533 205 L N 0.990 122.244 121.223 0.053 0.000 2.334 205 L HA 0.511 4.854 4.340 0.004 0.000 0.272 205 L C 0.448 177.339 176.870 0.035 0.000 1.020 205 L CA -1.088 53.794 54.840 0.069 0.000 0.812 205 L CB 1.181 43.330 42.059 0.150 0.000 1.264 205 L HN 0.319 nan 8.230 nan 0.000 0.439 206 D N 1.508 121.921 120.400 0.021 0.000 2.357 206 D HA 0.041 4.683 4.640 0.004 0.000 0.242 206 D C 0.917 177.212 176.300 -0.008 0.000 1.153 206 D CA -0.289 53.696 54.000 -0.026 0.000 0.918 206 D CB 1.427 42.203 40.800 -0.040 0.000 1.181 206 D HN 0.430 nan 8.370 nan 0.000 0.435 207 L N 0.214 121.366 121.223 -0.118 0.000 2.083 207 L HA -0.204 4.138 4.340 0.004 0.000 0.209 207 L C 2.319 179.221 176.870 0.055 0.000 1.083 207 L CA 1.603 56.373 54.840 -0.118 0.000 0.752 207 L CB -0.364 41.415 42.059 -0.468 0.000 0.899 207 L HN 0.580 nan 8.230 nan 0.000 0.433 208 E N 0.273 120.485 120.200 0.020 0.000 2.038 208 E HA -0.315 4.037 4.350 0.004 0.000 0.195 208 E C 2.104 178.824 176.600 0.200 0.000 1.000 208 E CA 1.825 58.375 56.400 0.251 0.000 0.803 208 E CB -0.173 29.641 29.700 0.189 0.000 0.750 208 E HN 0.385 nan 8.360 nan 0.000 0.448 209 Q N -1.394 118.484 119.800 0.130 0.000 2.084 209 Q HA -0.216 4.127 4.340 0.004 0.000 0.202 209 Q C 2.096 178.161 176.000 0.109 0.000 0.978 209 Q CA 1.646 57.510 55.803 0.102 0.000 0.844 209 Q CB -0.343 28.440 28.738 0.074 0.000 0.898 209 Q HN 0.514 nan 8.270 nan 0.000 0.426 210 Y N 0.476 120.810 120.300 0.056 0.000 2.145 210 Y HA -0.275 4.280 4.550 0.008 0.000 0.286 210 Y C 2.013 177.964 175.900 0.085 0.000 1.145 210 Y CA 1.480 59.614 58.100 0.057 0.000 1.148 210 Y CB -0.229 38.257 38.460 0.043 0.000 0.981 210 Y HN 0.267 nan 8.280 nan 0.000 0.507 211 L N 0.493 121.904 121.223 0.313 0.000 1.990 211 L HA -0.298 4.045 4.340 0.004 0.000 0.213 211 L C 2.206 179.129 176.870 0.088 0.000 1.072 211 L CA 2.010 56.999 54.840 0.248 0.000 0.755 211 L CB -0.914 41.361 42.059 0.360 0.000 0.889 211 L HN 0.254 nan 8.230 nan 0.000 0.432 212 Q N -0.065 119.783 119.800 0.080 0.000 2.084 212 Q HA -0.207 4.136 4.340 0.004 0.000 0.202 212 Q C 2.211 178.195 176.000 -0.027 0.000 0.978 212 Q CA 2.101 57.925 55.803 0.035 0.000 0.844 212 Q CB -0.350 28.417 28.738 0.048 0.000 0.898 212 Q HN 0.704 nan 8.270 nan 0.000 0.426 213 E N 0.005 120.156 120.200 -0.082 0.000 2.158 213 E HA -0.034 4.318 4.350 0.004 0.000 0.191 213 E C 1.287 177.778 176.600 -0.182 0.000 0.982 213 E CA 0.504 56.827 56.400 -0.129 0.000 0.823 213 E CB 0.166 29.772 29.700 -0.156 0.000 0.766 213 E HN 0.347 nan 8.360 nan 0.000 0.468 214 N N -0.544 117.998 118.700 -0.263 0.000 2.210 214 N HA 0.178 4.921 4.740 0.004 0.000 0.203 214 N C 1.373 176.820 175.510 -0.106 0.000 1.175 214 N CA 0.280 53.169 53.050 -0.267 0.000 0.894 214 N CB 1.217 39.331 38.487 -0.623 0.000 1.041 214 N HN 0.134 nan 8.380 nan 0.000 0.506 215 I N -0.495 120.043 120.570 -0.054 0.000 3.739 215 I HA 0.028 4.200 4.170 0.004 0.000 0.272 215 I C 1.657 177.764 176.117 -0.016 0.000 1.167 215 I CA 0.253 61.545 61.300 -0.013 0.000 1.386 215 I CB 0.168 38.184 38.000 0.026 0.000 1.490 215 I HN -0.012 nan 8.210 nan 0.000 0.452 216 C N 1.359 120.655 119.300 -0.006 0.000 2.489 216 C HA -0.005 4.457 4.460 0.004 0.000 0.279 216 C C 3.136 178.120 174.990 -0.010 0.000 1.266 216 C CA 1.112 60.130 59.018 -0.000 0.000 1.707 216 C CB -1.036 26.714 27.740 0.017 0.000 2.059 216 C HN 0.576 nan 8.230 nan 0.000 0.481 217 A N 2.071 124.880 122.820 -0.019 0.000 1.883 217 A HA -0.129 4.193 4.320 0.004 0.000 0.217 217 A C 0.373 177.944 177.584 -0.022 0.000 1.186 217 A CA 2.273 54.297 52.037 -0.021 0.000 0.624 217 A CB -1.965 17.017 19.000 -0.030 0.000 0.822 217 A HN 0.567 nan 8.150 nan 0.000 0.444 218 P HA -0.005 nan 4.420 nan 0.000 0.233 218 P C 0.875 178.163 177.300 -0.020 0.000 1.167 218 P CA 0.751 63.836 63.100 -0.026 0.000 0.770 218 P CB -0.054 31.627 31.700 -0.031 0.000 0.837 219 L N -1.776 119.436 121.223 -0.018 0.000 2.640 219 L HA 0.338 4.681 4.340 0.004 0.000 0.230 219 L C 1.275 178.141 176.870 -0.006 0.000 1.123 219 L CA 0.408 55.241 54.840 -0.012 0.000 0.900 219 L CB -0.676 41.374 42.059 -0.015 0.000 1.146 219 L HN 0.038 nan 8.230 nan 0.000 0.484 220 G N 1.637 110.433 108.800 -0.007 0.000 2.198 220 G HA2 -0.293 3.669 3.960 0.004 0.000 0.260 220 G HA3 -0.293 3.669 3.960 0.004 0.000 0.260 220 G C 0.126 175.025 174.900 -0.001 0.000 1.025 220 G CA -0.002 45.096 45.100 -0.004 0.000 0.769 220 G HN 0.326 nan 8.290 nan 0.000 0.507 221 I N 0.981 121.551 120.570 0.001 0.000 2.395 221 I HA 0.378 4.551 4.170 0.004 0.000 0.289 221 I C 1.492 177.617 176.117 0.012 0.000 1.023 221 I CA 0.467 61.772 61.300 0.007 0.000 1.350 221 I CB 1.438 39.444 38.000 0.010 0.000 1.409 221 I HN 0.235 nan 8.210 nan 0.000 0.507 222 T N -1.235 113.328 114.554 0.015 0.000 3.145 222 T HA 0.229 4.581 4.350 0.004 0.000 0.281 222 T C 0.364 175.082 174.700 0.029 0.000 1.003 222 T CA -0.263 61.849 62.100 0.019 0.000 0.901 222 T CB 0.003 68.879 68.868 0.012 0.000 1.112 222 T HN 0.412 nan 8.240 nan 0.000 0.535 223 D N 1.124 121.546 120.400 0.036 0.000 2.599 223 D HA 0.346 4.989 4.640 0.004 0.000 0.249 223 D C -0.536 175.809 176.300 0.075 0.000 1.313 223 D CA -0.133 53.896 54.000 0.049 0.000 0.815 223 D CB 0.730 41.552 40.800 0.036 0.000 1.077 223 D HN 0.459 nan 8.370 nan 0.000 0.492 224 M N 0.741 120.385 119.600 0.073 0.000 2.213 224 M HA 0.375 4.857 4.480 0.004 0.000 0.286 224 M C -1.649 174.692 176.300 0.069 0.000 1.008 224 M CA -0.110 55.236 55.300 0.076 0.000 0.937 224 M CB 2.161 34.795 32.600 0.057 0.000 1.600 224 M HN -0.150 nan 8.290 nan 0.000 0.450 225 T N 2.579 117.179 114.554 0.078 0.000 2.885 225 T HA 0.482 4.834 4.350 0.004 0.000 0.322 225 T C -0.428 174.336 174.700 0.106 0.000 1.387 225 T CA -0.400 61.768 62.100 0.114 0.000 1.041 225 T CB 0.967 69.933 68.868 0.164 0.000 1.287 225 T HN 0.574 nan 8.240 nan 0.000 0.491 226 F N 1.616 121.694 119.950 0.213 0.000 2.615 226 F HA 0.356 4.886 4.527 0.005 0.000 0.297 226 F C 1.764 177.726 175.800 0.271 0.000 1.124 226 F CA 0.173 58.315 58.000 0.235 0.000 1.451 226 F CB 0.482 39.567 39.000 0.141 0.000 1.103 226 F HN 0.126 nan 8.300 nan 0.000 0.569 227 K N 1.138 121.752 120.400 0.357 0.000 2.901 227 K HA 0.195 4.517 4.320 0.004 0.000 0.199 227 K C 0.918 177.593 176.600 0.125 0.000 1.140 227 K CA -0.131 56.290 56.287 0.223 0.000 1.030 227 K CB 0.741 33.341 32.500 0.167 0.000 1.437 227 K HN 0.156 nan 8.250 nan 0.000 0.552 228 L N 1.248 122.511 121.223 0.066 0.000 2.079 228 L HA -0.199 4.143 4.340 0.004 0.000 0.210 228 L C 1.798 178.626 176.870 -0.071 0.000 1.081 228 L CA 1.994 56.770 54.840 -0.107 0.000 0.752 228 L CB 0.006 41.734 42.059 -0.551 0.000 0.896 228 L HN 0.316 nan 8.230 nan 0.000 0.433 229 Q N -0.428 119.348 119.800 -0.039 0.000 2.291 229 Q HA -0.191 4.151 4.340 0.004 0.000 0.206 229 Q C 1.866 177.859 176.000 -0.011 0.000 0.976 229 Q CA 1.246 57.032 55.803 -0.027 0.000 0.875 229 Q CB -0.276 28.452 28.738 -0.017 0.000 0.927 229 Q HN 0.705 nan 8.270 nan 0.000 0.450 230 Q N -0.031 119.775 119.800 0.010 0.000 2.320 230 Q HA 0.089 4.432 4.340 0.004 0.000 0.201 230 Q C -0.086 175.922 176.000 0.014 0.000 0.910 230 Q CA 0.034 55.847 55.803 0.016 0.000 0.946 230 Q CB 0.690 29.448 28.738 0.034 0.000 1.062 230 Q HN -0.041 nan 8.270 nan 0.000 0.503 231 R N 1.042 121.545 120.500 0.004 0.000 2.477 231 R HA 0.183 4.526 4.340 0.004 0.000 0.285 231 R C -2.121 174.171 176.300 -0.014 0.000 1.415 231 R CA -1.863 54.239 56.100 0.003 0.000 1.446 231 R CB 0.713 31.022 30.300 0.015 0.000 1.110 231 R HN 0.045 nan 8.270 nan 0.000 0.590 232 P HA -0.182 nan 4.420 nan 0.000 0.219 232 P C 0.656 177.941 177.300 -0.025 0.000 1.146 232 P CA 1.216 64.302 63.100 -0.024 0.000 0.808 232 P CB 0.355 32.044 31.700 -0.018 0.000 0.779 233 D N -0.164 120.226 120.400 -0.017 0.000 2.117 233 D HA -0.158 4.484 4.640 0.004 0.000 0.198 233 D C 1.917 178.206 176.300 -0.020 0.000 0.982 233 D CA 1.180 55.170 54.000 -0.017 0.000 0.828 233 D CB -1.070 39.724 40.800 -0.009 0.000 0.967 233 D HN 0.205 nan 8.370 nan 0.000 0.464 234 M N -0.006 119.584 119.600 -0.016 0.000 2.156 234 M HA 0.016 4.499 4.480 0.004 0.000 0.264 234 M C 2.619 178.890 176.300 -0.049 0.000 1.067 234 M CA 0.771 56.062 55.300 -0.016 0.000 1.131 234 M CB -0.169 32.433 32.600 0.004 0.000 1.368 234 M HN -0.044 nan 8.290 nan 0.000 0.416 235 L N 0.085 121.269 121.223 -0.066 0.000 2.043 235 L HA -0.215 4.127 4.340 0.004 0.000 0.212 235 L C 2.682 179.493 176.870 -0.098 0.000 1.075 235 L CA 1.371 56.152 54.840 -0.099 0.000 0.752 235 L CB -0.645 41.365 42.059 -0.082 0.000 0.891 235 L HN 0.318 nan 8.230 nan 0.000 0.432 236 A N -0.527 122.253 122.820 -0.067 0.000 2.121 236 A HA -0.129 4.194 4.320 0.004 0.000 0.218 236 A C 2.135 179.683 177.584 -0.061 0.000 1.154 236 A CA 1.139 53.140 52.037 -0.061 0.000 0.679 236 A CB -0.307 18.667 19.000 -0.043 0.000 0.795 236 A HN 0.409 nan 8.150 nan 0.000 0.458 237 R N -0.666 119.799 120.500 -0.058 0.000 2.437 237 R HA 0.106 4.449 4.340 0.004 0.000 0.257 237 R C 0.459 176.730 176.300 -0.050 0.000 0.927 237 R CA -0.193 55.880 56.100 -0.045 0.000 1.078 237 R CB 0.269 30.552 30.300 -0.027 0.000 1.161 237 R HN 0.643 nan 8.270 nan 0.000 0.529 238 R N 0.940 121.385 120.500 -0.092 0.000 2.694 238 R HA 0.373 4.715 4.340 0.004 0.000 0.268 238 R C -0.226 176.001 176.300 -0.122 0.000 1.061 238 R CA -0.051 55.980 56.100 -0.116 0.000 1.133 238 R CB 0.432 30.563 30.300 -0.281 0.000 1.020 238 R HN -0.140 nan 8.270 nan 0.000 0.475 239 A N 2.312 125.121 122.820 -0.019 0.000 2.445 239 A HA 0.111 4.433 4.320 0.004 0.000 0.242 239 A C -0.462 177.082 177.584 -0.065 0.000 1.075 239 A CA -0.352 51.716 52.037 0.052 0.000 0.777 239 A CB 0.165 19.296 19.000 0.218 0.000 1.013 239 A HN 0.828 nan 8.150 nan 0.000 0.493 240 D N 0.836 121.276 120.400 0.067 0.000 2.253 240 D HA 0.323 4.966 4.640 0.004 0.000 0.249 240 D C -0.051 176.469 176.300 0.368 0.000 1.049 240 D CA -0.025 54.096 54.000 0.203 0.000 0.929 240 D CB 0.761 41.750 40.800 0.315 0.000 1.176 240 D HN 0.408 nan 8.370 nan 0.000 0.437 241 Q N 0.494 120.561 119.800 0.445 0.000 2.293 241 Q HA 0.361 4.704 4.340 0.004 0.000 0.251 241 Q C -0.255 175.855 176.000 0.183 0.000 0.930 241 Q CA 0.010 55.993 55.803 0.301 0.000 0.893 241 Q CB 1.203 30.079 28.738 0.230 0.000 1.215 241 Q HN 0.286 nan 8.270 nan 0.000 0.425 242 T N 1.899 116.557 114.554 0.173 0.000 2.885 242 T HA 0.358 4.711 4.350 0.004 0.000 0.285 242 T C -0.777 174.009 174.700 0.144 0.000 1.019 242 T CA -0.542 61.650 62.100 0.154 0.000 1.010 242 T CB 1.364 70.323 68.868 0.152 0.000 1.022 242 T HN 0.401 nan 8.240 nan 0.000 0.466 243 H N 1.868 120.955 119.070 0.028 0.000 2.600 243 H HA 0.429 4.988 4.556 0.004 0.000 0.357 243 H C -0.675 174.657 175.328 0.008 0.000 1.106 243 H CA -0.773 55.279 56.048 0.007 0.000 1.193 243 H CB 1.455 31.210 29.762 -0.012 0.000 1.594 243 H HN 0.464 nan 8.280 nan 0.000 0.526 244 R N 3.893 124.138 120.500 -0.426 0.000 2.202 244 R HA 0.062 4.404 4.340 0.004 0.000 0.334 244 R C -0.534 175.630 176.300 -0.226 0.000 1.036 244 R CA -0.611 55.341 56.100 -0.245 0.000 0.878 244 R CB 0.236 30.403 30.300 -0.222 0.000 1.067 244 R HN 0.570 nan 8.270 nan 0.000 0.457 245 N N 2.010 120.715 118.700 0.009 0.000 2.468 245 N HA -0.082 4.661 4.740 0.004 0.000 0.265 245 N C 0.905 176.427 175.510 0.021 0.000 1.199 245 N CA 0.556 53.658 53.050 0.086 0.000 0.928 245 N CB 1.469 40.007 38.487 0.085 0.000 1.059 245 N HN 0.567 nan 8.380 nan 0.000 0.467 246 S N 3.135 118.862 115.700 0.045 0.000 2.372 246 S HA -0.243 4.229 4.470 0.004 0.000 0.227 246 S C 1.678 176.281 174.600 0.005 0.000 1.044 246 S CA 1.775 59.984 58.200 0.015 0.000 1.050 246 S CB -0.455 62.766 63.200 0.035 0.000 0.901 246 S HN 0.741 nan 8.310 nan 0.000 0.447 247 A N 1.905 124.735 122.820 0.016 0.000 1.828 247 A HA -0.117 4.205 4.320 0.004 0.000 0.215 247 A C 1.703 179.288 177.584 0.001 0.000 1.203 247 A CA 1.925 53.967 52.037 0.009 0.000 0.614 247 A CB -0.723 18.286 19.000 0.015 0.000 0.844 247 A HN 0.765 nan 8.150 nan 0.000 0.445 248 D N -2.441 117.961 120.400 0.004 0.000 2.395 248 D HA 0.283 4.925 4.640 0.004 0.000 0.213 248 D C 1.063 177.357 176.300 -0.009 0.000 1.110 248 D CA 0.758 54.757 54.000 -0.001 0.000 0.835 248 D CB -0.616 40.188 40.800 0.006 0.000 0.965 248 D HN 0.895 nan 8.370 nan 0.000 0.505 249 G N 1.036 109.826 108.800 -0.017 0.000 2.203 249 G HA2 -0.378 3.584 3.960 0.004 0.000 0.263 249 G HA3 -0.378 3.584 3.960 0.004 0.000 0.263 249 G C 0.308 175.192 174.900 -0.026 0.000 1.012 249 G CA 0.421 45.501 45.100 -0.034 0.000 0.749 249 G HN 0.573 nan 8.290 nan 0.000 0.512 250 R N -0.630 119.867 120.500 -0.005 0.000 2.500 250 R HA 0.708 5.051 4.340 0.004 0.000 0.277 250 R C 0.699 177.010 176.300 0.018 0.000 1.026 250 R CA -0.716 55.389 56.100 0.009 0.000 1.058 250 R CB 0.362 30.675 30.300 0.021 0.000 1.078 250 R HN 0.186 nan 8.270 nan 0.000 0.509 251 L N 4.120 125.360 121.223 0.029 0.000 2.305 251 L HA 0.491 4.834 4.340 0.004 0.000 0.281 251 L C 0.428 177.348 176.870 0.084 0.000 1.085 251 L CA -0.174 54.695 54.840 0.049 0.000 0.813 251 L CB 1.095 43.186 42.059 0.053 0.000 1.157 251 L HN 0.534 nan 8.230 nan 0.000 0.436 252 R N 1.399 121.968 120.500 0.116 0.000 2.795 252 R HA 0.320 4.662 4.340 0.004 0.000 0.275 252 R C -1.203 175.210 176.300 0.188 0.000 0.981 252 R CA -1.043 55.144 56.100 0.146 0.000 0.917 252 R CB 2.279 32.657 30.300 0.131 0.000 1.202 252 R HN 0.361 nan 8.270 nan 0.000 0.469 253 Y N 1.561 121.909 120.300 0.081 0.000 2.620 253 Y HA -0.038 4.514 4.550 0.003 0.000 0.330 253 Y C -0.303 175.653 175.900 0.094 0.000 1.186 253 Y CA 0.313 58.465 58.100 0.087 0.000 1.467 253 Y CB 0.461 38.960 38.460 0.065 0.000 1.262 253 Y HN 0.411 nan 8.280 nan 0.000 0.550 254 D N 5.185 125.269 120.400 -0.527 0.000 2.460 254 D HA 0.081 4.724 4.640 0.004 0.000 0.232 254 D C -1.302 174.596 176.300 -0.669 0.000 1.079 254 D CA -0.473 53.283 54.000 -0.407 0.000 0.864 254 D CB 0.375 41.114 40.800 -0.103 0.000 1.048 254 D HN 0.596 nan 8.370 nan 0.000 0.523 255 D N 2.555 122.594 120.400 -0.602 0.000 2.619 255 D HA 0.118 4.761 4.640 0.004 0.000 0.224 255 D C -0.658 175.572 176.300 -0.118 0.000 1.133 255 D CA -0.018 53.777 54.000 -0.341 0.000 1.017 255 D CB -0.033 40.725 40.800 -0.069 0.000 1.077 255 D HN 0.033 nan 8.370 nan 0.000 0.503 256 S N -0.099 115.556 115.700 -0.074 0.000 2.651 256 S HA 0.180 4.653 4.470 0.004 0.000 0.291 256 S C 1.891 176.469 174.600 -0.036 0.000 1.141 256 S CA -0.714 57.451 58.200 -0.059 0.000 1.027 256 S CB 1.819 64.991 63.200 -0.048 0.000 1.043 256 S HN 0.296 nan 8.310 nan 0.000 0.530 257 V N 1.068 120.884 119.914 -0.163 0.000 2.453 257 V HA -0.219 3.903 4.120 0.004 0.000 0.252 257 V C 1.432 177.461 176.094 -0.109 0.000 1.068 257 V CA 1.745 63.933 62.300 -0.186 0.000 1.070 257 V CB -1.447 30.167 31.823 -0.349 0.000 0.664 257 V HN 0.900 nan 8.190 nan 0.000 0.461 258 Y N -0.593 119.743 120.300 0.060 0.000 2.403 258 Y HA 0.070 4.623 4.550 0.005 0.000 0.291 258 Y C 2.175 178.179 175.900 0.174 0.000 1.143 258 Y CA 1.216 59.375 58.100 0.098 0.000 1.257 258 Y CB -0.645 37.804 38.460 -0.018 0.000 0.984 258 Y HN 0.269 nan 8.280 nan 0.000 0.550 259 F N -0.111 120.002 119.950 0.273 0.000 2.698 259 F HA 0.095 4.623 4.527 0.002 0.000 0.295 259 F C 1.739 177.561 175.800 0.037 0.000 1.124 259 F CA 0.395 58.471 58.000 0.127 0.000 1.426 259 F CB -0.124 38.952 39.000 0.128 0.000 1.120 259 F HN 0.045 nan 8.300 nan 0.000 0.583 260 R N -0.336 120.295 120.500 0.217 0.000 2.509 260 R HA 0.697 5.040 4.340 0.004 0.000 0.300 260 R C -0.305 176.017 176.300 0.036 0.000 0.985 260 R CA 0.230 56.391 56.100 0.101 0.000 1.092 260 R CB 0.337 30.686 30.300 0.082 0.000 1.237 260 R HN -0.047 nan 8.270 nan 0.000 0.546 261 A N 0.675 123.536 122.820 0.067 0.000 2.518 261 A HA 0.251 4.574 4.320 0.004 0.000 0.295 261 A C -0.913 176.751 177.584 0.133 0.000 1.052 261 A CA -0.802 51.243 52.037 0.014 0.000 0.824 261 A CB 1.346 20.312 19.000 -0.056 0.000 1.325 261 A HN 0.023 nan 8.150 nan 0.000 0.394 262 D N 1.461 121.930 120.400 0.115 0.000 2.144 262 D HA 0.297 4.939 4.640 0.004 0.000 0.200 262 D C 1.422 177.869 176.300 0.244 0.000 0.978 262 D CA 2.405 56.531 54.000 0.210 0.000 0.833 262 D CB 0.011 40.903 40.800 0.154 0.000 0.961 262 D HN 1.682 nan 8.370 nan 0.000 0.470 263 G N 0.845 109.785 108.800 0.232 0.000 2.725 263 G HA2 -0.290 3.672 3.960 0.004 0.000 0.220 263 G HA3 -0.290 3.672 3.960 0.004 0.000 0.220 263 G C 0.663 175.684 174.900 0.203 0.000 1.357 263 G CA 0.296 45.603 45.100 0.345 0.000 0.866 263 G HN 0.313 nan 8.290 nan 0.000 0.548 264 E N -0.205 120.087 120.200 0.153 0.000 2.127 264 E HA 0.143 4.496 4.350 0.004 0.000 0.191 264 E C 1.029 177.594 176.600 -0.058 0.000 0.964 264 E CA 1.045 57.479 56.400 0.056 0.000 0.832 264 E CB -0.027 29.706 29.700 0.054 0.000 0.790 264 E HN 0.844 nan 8.360 nan 0.000 0.465 265 E N 0.625 120.716 120.200 -0.181 0.000 2.204 265 E HA 0.394 4.747 4.350 0.004 0.000 0.276 265 E C -0.979 175.316 176.600 -0.508 0.000 0.974 265 E CA -1.035 55.150 56.400 -0.359 0.000 0.815 265 E CB 1.476 30.898 29.700 -0.465 0.000 1.119 265 E HN 0.078 nan 8.360 nan 0.000 0.393 266 C N 3.079 122.091 119.300 -0.480 0.000 2.576 266 C HA 0.253 4.715 4.460 0.004 0.000 0.401 266 C C -0.531 174.143 174.990 -0.527 0.000 1.314 266 C CA -0.572 58.110 59.018 -0.560 0.000 1.855 266 C CB -1.606 25.521 27.740 -1.021 0.000 2.537 266 C HN 0.530 nan 8.230 nan 0.000 0.578 267 F N 2.106 122.033 119.950 -0.039 0.000 2.361 267 F HA 0.395 4.924 4.527 0.003 0.000 0.364 267 F C 1.393 177.281 175.800 0.148 0.000 1.120 267 F CA -0.437 57.572 58.000 0.015 0.000 1.102 267 F CB 0.893 39.929 39.000 0.060 0.000 1.183 267 F HN 0.799 nan 8.300 nan 0.000 0.476 268 G N 1.929 110.888 108.800 0.264 0.000 2.559 268 G HA2 -0.088 3.875 3.960 0.004 0.000 0.216 268 G HA3 -0.088 3.875 3.960 0.004 0.000 0.216 268 G C 1.607 176.667 174.900 0.267 0.000 1.126 268 G CA 0.744 46.018 45.100 0.289 0.000 0.778 268 G HN 0.852 nan 8.290 nan 0.000 0.543 269 G N -0.020 108.918 108.800 0.232 0.000 2.453 269 G HA2 0.095 4.058 3.960 0.004 0.000 0.215 269 G HA3 0.095 4.058 3.960 0.004 0.000 0.215 269 G C 1.405 176.418 174.900 0.189 0.000 1.147 269 G CA 1.084 46.306 45.100 0.202 0.000 0.802 269 G HN 0.635 nan 8.290 nan 0.000 0.535 270 Q N -1.337 118.552 119.800 0.149 0.000 1.988 270 Q HA 0.190 4.532 4.340 0.004 0.000 0.202 270 Q C 1.539 177.479 176.000 -0.100 0.000 0.760 270 Q CA 0.619 56.418 55.803 -0.006 0.000 0.940 270 Q CB 0.102 28.779 28.738 -0.102 0.000 1.214 270 Q HN 0.197 nan 8.270 nan 0.000 0.432 271 G N 0.911 109.767 108.800 0.093 0.000 3.042 271 G HA2 0.272 4.234 3.960 0.004 0.000 0.212 271 G HA3 0.272 4.234 3.960 0.004 0.000 0.212 271 G C 0.272 175.054 174.900 -0.197 0.000 1.166 271 G CA 0.143 45.309 45.100 0.111 0.000 0.767 271 G HN 0.094 nan 8.290 nan 0.000 0.546 272 V N 1.285 120.943 119.914 -0.427 0.000 2.546 272 V HA 0.449 4.571 4.120 0.004 0.000 0.284 272 V C -0.637 175.148 176.094 -0.516 0.000 1.050 272 V CA -0.591 61.385 62.300 -0.540 0.000 0.981 272 V CB 0.999 32.517 31.823 -0.508 0.000 0.990 272 V HN 0.151 nan 8.190 nan 0.000 0.474 273 F N 3.472 123.396 119.950 -0.043 0.000 2.420 273 F HA 0.673 5.201 4.527 0.002 0.000 0.342 273 F C 0.459 176.305 175.800 0.076 0.000 1.113 273 F CA -0.015 58.026 58.000 0.070 0.000 1.059 273 F CB 1.864 40.949 39.000 0.142 0.000 1.128 273 F HN 0.501 nan 8.300 nan 0.000 0.475 274 S N 1.528 117.391 115.700 0.272 0.000 2.588 274 S HA 0.626 5.099 4.470 0.004 0.000 0.269 274 S C -0.763 173.954 174.600 0.195 0.000 1.157 274 S CA -0.771 57.556 58.200 0.210 0.000 0.824 274 S CB 1.146 64.465 63.200 0.199 0.000 1.126 274 S HN 0.727 nan 8.310 nan 0.000 0.464 275 S N 1.898 117.653 115.700 0.092 0.000 2.617 275 S HA 0.495 4.967 4.470 0.004 0.000 0.269 275 S C -1.997 172.470 174.600 -0.220 0.000 1.292 275 S CA -0.905 57.281 58.200 -0.023 0.000 1.010 275 S CB 0.536 63.717 63.200 -0.032 0.000 0.944 275 S HN 0.575 nan 8.310 nan 0.000 0.536 276 P HA -0.003 nan 4.420 nan 0.000 0.216 276 P C 1.735 178.836 177.300 -0.331 0.000 1.150 276 P CA 1.662 64.213 63.100 -0.915 0.000 0.837 276 P CB -0.543 30.639 31.700 -0.863 0.000 0.786 277 G N -0.456 108.222 108.800 -0.204 0.000 2.446 277 G HA2 -0.259 3.703 3.960 0.004 0.000 0.217 277 G HA3 -0.259 3.703 3.960 0.004 0.000 0.217 277 G C 1.709 176.582 174.900 -0.044 0.000 1.168 277 G CA 1.105 46.142 45.100 -0.105 0.000 0.771 277 G HN 0.220 nan 8.290 nan 0.000 0.551 278 S N -0.529 115.158 115.700 -0.022 0.000 2.383 278 S HA -0.074 4.398 4.470 0.004 0.000 0.227 278 S C 1.980 176.609 174.600 0.048 0.000 1.026 278 S CA 0.880 59.091 58.200 0.018 0.000 0.981 278 S CB -0.388 62.835 63.200 0.038 0.000 0.818 278 S HN 0.464 nan 8.310 nan 0.000 0.472 279 Y N 1.647 121.918 120.300 -0.048 0.000 2.181 279 Y HA -0.148 4.407 4.550 0.007 0.000 0.288 279 Y C 2.395 178.299 175.900 0.007 0.000 1.146 279 Y CA 1.648 59.747 58.100 -0.001 0.000 1.164 279 Y CB -0.345 38.163 38.460 0.079 0.000 0.982 279 Y HN 0.203 nan 8.280 nan 0.000 0.515 280 M N 0.674 120.340 119.600 0.109 0.000 2.213 280 M HA -0.185 4.297 4.480 0.004 0.000 0.263 280 M C 1.750 178.075 176.300 0.043 0.000 1.062 280 M CA 1.724 57.072 55.300 0.079 0.000 1.105 280 M CB -0.426 32.205 32.600 0.052 0.000 1.385 280 M HN 0.069 nan 8.290 nan 0.000 0.417 281 K N -0.993 119.417 120.400 0.017 0.000 2.103 281 K HA -0.113 4.209 4.320 0.004 0.000 0.207 281 K C 1.820 178.415 176.600 -0.008 0.000 1.048 281 K CA 1.539 57.847 56.287 0.035 0.000 0.930 281 K CB -0.387 32.121 32.500 0.014 0.000 0.716 281 K HN 0.277 nan 8.250 nan 0.000 0.444 282 V N 1.866 121.713 119.914 -0.111 0.000 2.270 282 V HA -0.234 3.888 4.120 0.004 0.000 0.245 282 V C 2.232 178.233 176.094 -0.155 0.000 1.043 282 V CA 1.570 63.756 62.300 -0.189 0.000 1.014 282 V CB -0.448 31.149 31.823 -0.376 0.000 0.645 282 V HN 0.260 nan 8.190 nan 0.000 0.447 283 L N -0.490 120.633 121.223 -0.167 0.000 2.012 283 L HA -0.266 4.076 4.340 0.004 0.000 0.210 283 L C 2.608 179.537 176.870 0.099 0.000 1.073 283 L CA 2.319 57.137 54.840 -0.037 0.000 0.748 283 L CB -0.985 41.117 42.059 0.072 0.000 0.891 283 L HN 0.487 nan 8.230 nan 0.000 0.431 284 H N -0.866 118.206 119.070 0.003 0.000 2.387 284 H HA -0.178 4.369 4.556 -0.014 0.000 0.299 284 H C 2.544 177.876 175.328 0.007 0.000 1.090 284 H CA 1.419 57.479 56.048 0.020 0.000 1.332 284 H CB 0.426 30.196 29.762 0.014 0.000 1.386 284 H HN 0.260 nan 8.280 nan 0.000 0.516 285 S N 0.045 115.710 115.700 -0.058 0.000 2.383 285 S HA -0.082 4.391 4.470 0.004 0.000 0.227 285 S C 2.324 176.882 174.600 -0.069 0.000 1.026 285 S CA 0.803 58.935 58.200 -0.114 0.000 0.981 285 S CB -0.220 62.940 63.200 -0.068 0.000 0.818 285 S HN 0.404 nan 8.310 nan 0.000 0.472 286 L N 0.662 121.876 121.223 -0.016 0.000 2.056 286 L HA -0.055 4.287 4.340 0.004 0.000 0.207 286 L C 2.503 179.404 176.870 0.051 0.000 1.078 286 L CA 0.948 55.814 54.840 0.044 0.000 0.749 286 L CB -0.563 41.551 42.059 0.092 0.000 0.901 286 L HN 0.352 nan 8.230 nan 0.000 0.433 287 L N 0.095 121.349 121.223 0.052 0.000 2.046 287 L HA -0.205 4.137 4.340 0.004 0.000 0.208 287 L C 2.455 179.299 176.870 -0.043 0.000 1.077 287 L CA 1.841 56.701 54.840 0.034 0.000 0.747 287 L CB -0.427 41.697 42.059 0.107 0.000 0.896 287 L HN 0.079 nan 8.230 nan 0.000 0.432 288 K N -0.465 119.869 120.400 -0.109 0.000 2.288 288 K HA -0.016 4.306 4.320 0.004 0.000 0.201 288 K C 0.194 176.740 176.600 -0.090 0.000 1.048 288 K CA 0.415 56.620 56.287 -0.137 0.000 0.956 288 K CB 0.047 32.394 32.500 -0.256 0.000 0.746 288 K HN 0.237 nan 8.250 nan 0.000 0.461 289 R N 1.316 121.774 120.500 -0.069 0.000 3.336 289 R HA -0.128 4.214 4.340 0.004 0.000 0.260 289 R C -0.304 175.967 176.300 -0.048 0.000 1.032 289 R CA 0.759 56.831 56.100 -0.047 0.000 0.693 289 R CB -1.783 28.489 30.300 -0.047 0.000 1.134 289 R HN 0.442 nan 8.270 nan 0.000 0.433 290 D N -0.866 119.498 120.400 -0.061 0.000 2.340 290 D HA 0.117 4.759 4.640 0.004 0.000 0.220 290 D C 1.400 177.678 176.300 -0.038 0.000 1.039 290 D CA 0.534 54.499 54.000 -0.057 0.000 0.866 290 D CB 0.162 40.914 40.800 -0.080 0.000 0.913 290 D HN 0.447 nan 8.370 nan 0.000 0.523 291 G N 0.548 109.332 108.800 -0.027 0.000 2.189 291 G HA2 -0.372 3.590 3.960 0.004 0.000 0.267 291 G HA3 -0.372 3.590 3.960 0.004 0.000 0.267 291 G C 1.025 175.916 174.900 -0.016 0.000 0.975 291 G CA 0.643 45.734 45.100 -0.016 0.000 0.644 291 G HN 0.445 nan 8.290 nan 0.000 0.537 292 L N -0.825 120.383 121.223 -0.024 0.000 2.093 292 L HA 0.136 4.478 4.340 0.004 0.000 0.208 292 L C 2.812 179.670 176.870 -0.019 0.000 1.085 292 L CA 1.436 56.261 54.840 -0.024 0.000 0.755 292 L CB -0.282 41.759 42.059 -0.031 0.000 0.904 292 L HN 0.366 nan 8.230 nan 0.000 0.435 293 L N -1.657 119.557 121.223 -0.015 0.000 2.362 293 L HA 0.231 4.573 4.340 0.004 0.000 0.204 293 L C 0.350 177.227 176.870 0.012 0.000 1.060 293 L CA 0.241 55.078 54.840 -0.005 0.000 0.827 293 L CB 0.484 42.535 42.059 -0.012 0.000 1.027 293 L HN 0.074 nan 8.230 nan 0.000 0.474 294 L N -1.054 120.176 121.223 0.012 0.000 2.469 294 L HA 0.332 4.675 4.340 0.004 0.000 0.256 294 L C -0.916 175.965 176.870 0.017 0.000 1.006 294 L CA -0.738 54.116 54.840 0.023 0.000 0.832 294 L CB 2.471 44.551 42.059 0.034 0.000 1.421 294 L HN -0.072 nan 8.230 nan 0.000 0.410 295 Q N 1.773 121.584 119.800 0.019 0.000 2.392 295 Q HA 0.095 4.438 4.340 0.004 0.000 0.262 295 Q C -1.652 174.359 176.000 0.018 0.000 1.003 295 Q CA -1.304 54.508 55.803 0.014 0.000 0.888 295 Q CB 0.823 29.569 28.738 0.015 0.000 1.260 295 Q HN 0.252 nan 8.270 nan 0.000 0.435 296 P HA -0.295 nan 4.420 nan 0.000 0.216 296 P C 0.967 178.277 177.300 0.017 0.000 1.154 296 P CA 1.457 64.560 63.100 0.006 0.000 0.865 296 P CB 0.137 31.832 31.700 -0.008 0.000 0.789 297 Q N -1.428 118.382 119.800 0.018 0.000 2.230 297 Q HA -0.068 4.274 4.340 0.004 0.000 0.202 297 Q C 1.504 177.528 176.000 0.041 0.000 0.963 297 Q CA 1.687 57.505 55.803 0.025 0.000 0.866 297 Q CB -1.801 26.947 28.738 0.018 0.000 0.931 297 Q HN 0.191 nan 8.270 nan 0.000 0.452 298 T N 1.527 116.107 114.554 0.043 0.000 2.857 298 T HA -0.015 4.337 4.350 0.004 0.000 0.266 298 T C 2.155 176.904 174.700 0.082 0.000 1.048 298 T CA 1.152 63.283 62.100 0.053 0.000 1.139 298 T CB -0.149 68.745 68.868 0.043 0.000 0.874 298 T HN 0.095 nan 8.240 nan 0.000 0.455 299 V N 2.369 122.339 119.914 0.094 0.000 2.343 299 V HA -0.183 3.939 4.120 0.004 0.000 0.247 299 V C 2.338 178.586 176.094 0.257 0.000 1.051 299 V CA 1.708 64.107 62.300 0.166 0.000 1.036 299 V CB -0.604 31.303 31.823 0.140 0.000 0.654 299 V HN 0.408 nan 8.190 nan 0.000 0.451 300 D N -0.107 120.381 120.400 0.148 0.000 2.182 300 D HA -0.163 4.479 4.640 0.004 0.000 0.201 300 D C 1.961 178.377 176.300 0.194 0.000 0.986 300 D CA 1.026 55.111 54.000 0.141 0.000 0.847 300 D CB -0.297 40.532 40.800 0.048 0.000 0.942 300 D HN 0.337 nan 8.370 nan 0.000 0.467 301 L N 0.413 121.720 121.223 0.139 0.000 2.079 301 L HA -0.126 4.216 4.340 0.004 0.000 0.210 301 L C 2.211 179.150 176.870 0.116 0.000 1.081 301 L CA 1.400 56.305 54.840 0.108 0.000 0.752 301 L CB -0.399 41.702 42.059 0.070 0.000 0.896 301 L HN -0.004 nan 8.230 nan 0.000 0.433 302 M N -2.103 117.576 119.600 0.133 0.000 2.213 302 M HA -0.204 4.278 4.480 0.004 0.000 0.263 302 M C 1.589 177.836 176.300 -0.087 0.000 1.062 302 M CA 1.714 57.016 55.300 0.005 0.000 1.105 302 M CB -0.325 32.234 32.600 -0.068 0.000 1.385 302 M HN 0.154 nan 8.290 nan 0.000 0.417 303 F N -0.336 119.630 119.950 0.027 0.000 2.797 303 F HA 0.066 4.594 4.527 0.001 0.000 0.302 303 F C 0.865 176.671 175.800 0.011 0.000 1.130 303 F CA -0.190 57.822 58.000 0.020 0.000 1.387 303 F CB 0.132 39.150 39.000 0.030 0.000 1.107 303 F HN 0.023 nan 8.300 nan 0.000 0.577 304 Q N 1.474 121.366 119.800 0.153 0.000 2.267 304 Q HA 0.250 4.592 4.340 0.004 0.000 0.255 304 Q C -2.351 173.688 176.000 0.065 0.000 0.923 304 Q CA -2.635 53.228 55.803 0.099 0.000 0.925 304 Q CB 0.354 29.141 28.738 0.082 0.000 1.195 304 Q HN -0.040 nan 8.270 nan 0.000 0.417 305 P HA -0.052 nan 4.420 nan 0.000 0.260 305 P C -0.215 177.123 177.300 0.063 0.000 1.185 305 P CA 0.464 63.594 63.100 0.049 0.000 0.763 305 P CB 0.520 32.243 31.700 0.039 0.000 0.776 306 A N 4.798 127.673 122.820 0.092 0.000 2.147 306 A HA 0.109 4.432 4.320 0.004 0.000 0.211 306 A C 0.765 178.407 177.584 0.096 0.000 1.160 306 A CA 0.477 52.574 52.037 0.100 0.000 0.781 306 A CB -0.254 18.833 19.000 0.145 0.000 0.842 306 A HN 0.454 nan 8.150 nan 0.000 0.475 307 L N 1.008 122.293 121.223 0.104 0.000 2.312 307 L HA 0.309 4.652 4.340 0.004 0.000 0.281 307 L C 0.103 177.012 176.870 0.065 0.000 1.070 307 L CA -0.560 54.339 54.840 0.098 0.000 0.805 307 L CB 1.178 43.302 42.059 0.107 0.000 1.174 307 L HN 0.287 nan 8.230 nan 0.000 0.434 308 E N 3.079 123.314 120.200 0.059 0.000 2.392 308 E HA 0.066 4.419 4.350 0.004 0.000 0.256 308 E C -1.578 175.045 176.600 0.039 0.000 1.145 308 E CA -1.500 54.926 56.400 0.043 0.000 0.929 308 E CB 0.642 30.366 29.700 0.040 0.000 0.998 308 E HN 0.371 nan 8.360 nan 0.000 0.442 309 P HA -0.252 nan 4.420 nan 0.000 0.216 309 P C 1.215 178.531 177.300 0.027 0.000 1.157 309 P CA 1.507 64.622 63.100 0.025 0.000 0.880 309 P CB 0.105 31.817 31.700 0.020 0.000 0.791 310 R N -0.423 120.094 120.500 0.030 0.000 2.091 310 R HA -0.120 4.223 4.340 0.004 0.000 0.238 310 R C 2.289 178.614 176.300 0.041 0.000 1.136 310 R CA 1.373 57.492 56.100 0.031 0.000 0.959 310 R CB -0.854 29.463 30.300 0.029 0.000 0.856 310 R HN 0.183 nan 8.270 nan 0.000 0.437 311 L N 0.229 121.483 121.223 0.052 0.000 2.056 311 L HA -0.137 4.206 4.340 0.004 0.000 0.207 311 L C 2.636 179.541 176.870 0.058 0.000 1.078 311 L CA 1.416 56.300 54.840 0.073 0.000 0.749 311 L CB -0.522 41.597 42.059 0.100 0.000 0.901 311 L HN 0.383 nan 8.230 nan 0.000 0.433 312 E N 0.355 120.579 120.200 0.040 0.000 2.085 312 E HA -0.315 4.037 4.350 0.004 0.000 0.194 312 E C 2.000 178.599 176.600 -0.001 0.000 0.994 312 E CA 1.700 58.105 56.400 0.010 0.000 0.801 312 E CB 0.134 29.842 29.700 0.013 0.000 0.743 312 E HN 0.319 nan 8.360 nan 0.000 0.453 313 E N 0.709 120.918 120.200 0.015 0.000 2.051 313 E HA -0.236 4.117 4.350 0.004 0.000 0.192 313 E C 2.032 178.648 176.600 0.027 0.000 0.991 313 E CA 1.567 57.977 56.400 0.016 0.000 0.799 313 E CB -0.253 29.459 29.700 0.021 0.000 0.748 313 E HN 0.254 nan 8.360 nan 0.000 0.449 314 Q N 0.171 119.996 119.800 0.042 0.000 2.124 314 Q HA -0.194 4.148 4.340 0.004 0.000 0.202 314 Q C 2.200 178.249 176.000 0.082 0.000 0.977 314 Q CA 1.767 57.610 55.803 0.066 0.000 0.850 314 Q CB -0.315 28.467 28.738 0.072 0.000 0.901 314 Q HN 0.466 nan 8.270 nan 0.000 0.429 315 M N 0.304 119.925 119.600 0.035 0.000 2.099 315 M HA -0.170 4.313 4.480 0.004 0.000 0.262 315 M C 1.594 177.854 176.300 -0.068 0.000 1.067 315 M CA 1.519 56.784 55.300 -0.059 0.000 1.124 315 M CB -0.159 32.264 32.600 -0.295 0.000 1.353 315 M HN 0.177 nan 8.290 nan 0.000 0.410 316 N N 0.265 118.930 118.700 -0.059 0.000 2.120 316 N HA -0.231 4.511 4.740 0.004 0.000 0.188 316 N C 1.691 177.203 175.510 0.004 0.000 1.024 316 N CA 1.538 54.562 53.050 -0.043 0.000 0.852 316 N CB -0.493 37.974 38.487 -0.035 0.000 1.003 316 N HN 0.427 nan 8.380 nan 0.000 0.424 317 Q N 0.712 120.534 119.800 0.037 0.000 2.045 317 Q HA -0.208 4.134 4.340 0.004 0.000 0.206 317 Q C 2.033 178.091 176.000 0.096 0.000 0.991 317 Q CA 1.833 57.673 55.803 0.061 0.000 0.851 317 Q CB -0.558 28.224 28.738 0.073 0.000 0.911 317 Q HN 0.520 nan 8.270 nan 0.000 0.418 318 H N -0.890 118.210 119.070 0.050 0.000 2.321 318 H HA -0.064 4.494 4.556 0.004 0.000 0.300 318 H C 1.732 177.135 175.328 0.126 0.000 1.087 318 H CA 2.354 58.463 56.048 0.101 0.000 1.319 318 H CB -0.086 29.756 29.762 0.134 0.000 1.379 318 H HN 0.303 nan 8.280 nan 0.000 0.501 319 M N -0.230 119.349 119.600 -0.035 0.000 2.123 319 M HA -0.119 4.363 4.480 0.004 0.000 0.263 319 M C 1.681 177.964 176.300 -0.027 0.000 1.069 319 M CA 1.563 56.840 55.300 -0.039 0.000 1.133 319 M CB -0.019 32.560 32.600 -0.034 0.000 1.356 319 M HN 0.258 nan 8.290 nan 0.000 0.415 320 D N 0.932 121.323 120.400 -0.016 0.000 2.149 320 D HA -0.122 4.521 4.640 0.004 0.000 0.198 320 D C 1.707 178.007 176.300 0.001 0.000 0.990 320 D CA 1.597 55.595 54.000 -0.004 0.000 0.839 320 D CB -0.167 40.634 40.800 0.002 0.000 0.948 320 D HN 0.349 nan 8.370 nan 0.000 0.460 321 A N -0.408 122.409 122.820 -0.004 0.000 2.238 321 A HA 0.117 4.440 4.320 0.004 0.000 0.208 321 A C 1.143 178.750 177.584 0.037 0.000 1.177 321 A CA 0.206 52.252 52.037 0.014 0.000 0.804 321 A CB 0.304 19.324 19.000 0.033 0.000 0.823 321 A HN 0.017 nan 8.150 nan 0.000 0.482 322 S N 0.784 116.485 115.700 0.002 0.000 2.384 322 S HA 0.240 4.712 4.470 0.004 0.000 0.227 322 S C -1.984 172.636 174.600 0.033 0.000 1.257 322 S CA -0.684 57.554 58.200 0.064 0.000 1.249 322 S CB 0.650 63.719 63.200 -0.219 0.000 1.018 322 S HN 0.438 nan 8.310 nan 0.000 0.478 323 P HA -0.143 nan 4.420 nan 0.000 0.226 323 P C 1.249 178.576 177.300 0.045 0.000 1.153 323 P CA 0.979 64.103 63.100 0.039 0.000 0.777 323 P CB -0.207 31.513 31.700 0.034 0.000 0.794 324 H N -0.614 118.426 119.070 -0.049 0.000 2.495 324 H HA 0.078 4.637 4.556 0.004 0.000 0.287 324 H C 1.704 177.012 175.328 -0.032 0.000 1.033 324 H CA 0.602 56.627 56.048 -0.038 0.000 1.307 324 H CB -1.032 28.718 29.762 -0.020 0.000 1.401 324 H HN 0.199 nan 8.280 nan 0.000 0.555 325 I N 0.253 120.483 120.570 -0.568 0.000 2.685 325 I HA -0.080 4.093 4.170 0.004 0.000 0.251 325 I C 0.306 176.279 176.117 -0.240 0.000 1.102 325 I CA 0.411 61.414 61.300 -0.495 0.000 1.442 325 I CB -0.143 37.388 38.000 -0.783 0.000 1.194 325 I HN 0.111 nan 8.210 nan 0.000 0.448 326 N N 0.719 119.283 118.700 -0.227 0.000 2.608 326 N HA -0.252 4.490 4.740 0.004 0.000 0.273 326 N C 0.191 175.771 175.510 0.117 0.000 1.133 326 N CA 0.345 53.379 53.050 -0.026 0.000 0.726 326 N CB -1.274 37.194 38.487 -0.032 0.000 0.890 326 N HN 0.331 nan 8.380 nan 0.000 0.548 327 Y N -0.855 119.462 120.300 0.028 0.000 2.274 327 Y HA -0.032 4.520 4.550 0.003 0.000 0.290 327 Y C 2.340 178.208 175.900 -0.054 0.000 1.145 327 Y CA 1.418 59.452 58.100 -0.111 0.000 1.203 327 Y CB -0.060 38.342 38.460 -0.097 0.000 0.984 327 Y HN 0.506 nan 8.280 nan 0.000 0.533 328 G N -0.895 108.002 108.800 0.162 0.000 2.985 328 G HA2 0.333 4.295 3.960 0.004 0.000 0.209 328 G HA3 0.333 4.295 3.960 0.004 0.000 0.209 328 G C 1.382 176.328 174.900 0.076 0.000 1.165 328 G CA 0.442 45.587 45.100 0.075 0.000 0.776 328 G HN 0.655 nan 8.290 nan 0.000 0.541 329 G N 1.414 110.294 108.800 0.134 0.000 2.634 329 G HA2 -0.339 3.623 3.960 0.004 0.000 0.318 329 G HA3 -0.339 3.623 3.960 0.004 0.000 0.318 329 G C -0.324 174.537 174.900 -0.064 0.000 1.207 329 G CA 0.684 45.758 45.100 -0.044 0.000 0.987 329 G HN 0.321 nan 8.290 nan 0.000 0.547 330 P HA 0.057 nan 4.420 nan 0.000 0.230 330 P C 1.258 178.688 177.300 0.217 0.000 1.158 330 P CA 0.909 64.066 63.100 0.094 0.000 0.769 330 P CB -0.044 31.768 31.700 0.187 0.000 0.807 331 M N 0.543 120.201 119.600 0.097 0.000 2.252 331 M HA 0.124 4.607 4.480 0.004 0.000 0.321 331 M C -1.859 174.480 176.300 0.066 0.000 1.070 331 M CA -1.208 54.093 55.300 0.001 0.000 1.143 331 M CB -0.806 31.729 32.600 -0.109 0.000 1.498 331 M HN -0.222 nan 8.290 nan 0.000 0.445 332 P HA -0.057 nan 4.420 nan 0.000 0.266 332 P C 0.382 177.695 177.300 0.023 0.000 1.193 332 P CA 0.239 63.383 63.100 0.073 0.000 0.770 332 P CB 0.400 32.139 31.700 0.064 0.000 0.836 333 M N 2.397 122.010 119.600 0.022 0.000 2.213 333 M HA -0.056 4.427 4.480 0.004 0.000 0.263 333 M C -0.312 175.989 176.300 0.003 0.000 1.062 333 M CA 1.781 57.086 55.300 0.008 0.000 1.105 333 M CB 0.206 32.810 32.600 0.006 0.000 1.385 333 M HN -0.016 nan 8.290 nan 0.000 0.417 334 V N 1.972 121.888 119.914 0.003 0.000 2.409 334 V HA 0.559 4.681 4.120 0.004 0.000 0.291 334 V C -0.815 175.272 176.094 -0.012 0.000 1.020 334 V CA -0.728 61.570 62.300 -0.004 0.000 0.848 334 V CB 1.403 33.226 31.823 0.000 0.000 0.990 334 V HN 0.341 nan 8.190 nan 0.000 0.430 335 L N 4.229 125.438 121.223 -0.024 0.000 2.591 335 L HA 0.649 4.991 4.340 0.004 0.000 0.257 335 L C -0.762 176.083 176.870 -0.042 0.000 0.935 335 L CA -0.596 54.221 54.840 -0.038 0.000 0.873 335 L CB 2.179 44.202 42.059 -0.059 0.000 1.397 335 L HN 0.631 nan 8.230 nan 0.000 0.414 336 R N 3.174 123.650 120.500 -0.040 0.000 2.248 336 R HA 0.618 4.960 4.340 0.004 0.000 0.328 336 R C -0.902 175.368 176.300 -0.051 0.000 1.067 336 R CA 0.182 56.259 56.100 -0.038 0.000 0.924 336 R CB 0.262 30.546 30.300 -0.027 0.000 1.013 336 R HN 0.654 nan 8.270 nan 0.000 0.454 337 R N 1.794 122.258 120.500 -0.060 0.000 2.912 337 R HA 0.631 4.973 4.340 0.004 0.000 0.262 337 R C -0.728 175.532 176.300 -0.068 0.000 1.057 337 R CA -0.997 55.058 56.100 -0.075 0.000 0.981 337 R CB 2.137 32.375 30.300 -0.104 0.000 1.201 337 R HN 0.597 nan 8.270 nan 0.000 0.484 338 S N -0.310 115.352 115.700 -0.063 0.000 2.851 338 S HA 0.649 5.122 4.470 0.004 0.000 0.313 338 S C -1.846 172.749 174.600 -0.010 0.000 1.163 338 S CA -0.628 57.553 58.200 -0.032 0.000 0.850 338 S CB 1.098 64.300 63.200 0.004 0.000 1.245 338 S HN 0.366 nan 8.310 nan 0.000 0.558 339 F N 0.658 120.558 119.950 -0.084 0.000 2.520 339 F HA 0.707 5.237 4.527 0.005 0.000 0.322 339 F C 0.624 176.440 175.800 0.028 0.000 1.103 339 F CA -0.003 57.984 58.000 -0.021 0.000 0.926 339 F CB 1.678 40.717 39.000 0.065 0.000 1.154 339 F HN 0.701 nan 8.300 nan 0.000 0.453 340 G N 4.021 112.686 108.800 -0.226 0.000 2.945 340 G HA2 0.459 4.422 3.960 0.004 0.000 0.156 340 G HA3 0.459 4.422 3.960 0.004 0.000 0.156 340 G C -1.166 173.752 174.900 0.030 0.000 1.375 340 G CA -0.765 44.288 45.100 -0.079 0.000 1.039 340 G HN 0.546 nan 8.290 nan 0.000 0.586 341 L N 0.651 121.860 121.223 -0.023 0.000 2.295 341 L HA 0.571 4.914 4.340 0.004 0.000 0.281 341 L C 0.928 177.784 176.870 -0.024 0.000 1.018 341 L CA 0.264 55.131 54.840 0.045 0.000 0.841 341 L CB 1.278 43.362 42.059 0.041 0.000 1.218 341 L HN 0.970 nan 8.230 nan 0.000 0.424 342 G N 1.875 110.693 108.800 0.031 0.000 2.211 342 G HA2 0.035 3.997 3.960 0.004 0.000 0.201 342 G HA3 0.035 3.997 3.960 0.004 0.000 0.201 342 G C 0.199 175.098 174.900 -0.002 0.000 0.997 342 G CA -0.261 44.870 45.100 0.051 0.000 0.652 342 G HN 1.144 nan 8.290 nan 0.000 0.500 343 G N -1.026 107.467 108.800 -0.513 0.000 2.320 343 G HA2 0.529 4.491 3.960 0.004 0.000 0.296 343 G HA3 0.529 4.491 3.960 0.004 0.000 0.296 343 G C -1.013 173.127 174.900 -1.266 0.000 1.306 343 G CA -0.384 44.252 45.100 -0.773 0.000 0.836 343 G HN 0.755 nan 8.290 nan 0.000 0.517 344 I N 0.628 120.835 120.570 -0.605 0.000 2.529 344 I HA 0.333 4.505 4.170 0.004 0.000 0.284 344 I C 0.083 176.032 176.117 -0.279 0.000 1.082 344 I CA -0.117 60.964 61.300 -0.364 0.000 1.406 344 I CB 0.951 38.919 38.000 -0.054 0.000 1.405 344 I HN 0.202 nan 8.210 nan 0.000 0.548 345 I N 5.435 125.877 120.570 -0.212 0.000 2.377 345 I HA 0.421 4.594 4.170 0.004 0.000 0.293 345 I C 0.317 176.384 176.117 -0.083 0.000 0.987 345 I CA -0.602 60.628 61.300 -0.116 0.000 1.185 345 I CB 1.715 39.672 38.000 -0.071 0.000 1.341 345 I HN 0.590 nan 8.210 nan 0.000 0.455 346 A N 6.786 129.566 122.820 -0.067 0.000 2.362 346 A HA 0.443 4.765 4.320 0.004 0.000 0.276 346 A C 0.662 178.220 177.584 -0.043 0.000 1.153 346 A CA -0.264 51.728 52.037 -0.075 0.000 0.813 346 A CB 0.215 19.149 19.000 -0.110 0.000 1.081 346 A HN 0.883 nan 8.150 nan 0.000 0.507 347 L N 1.455 122.653 121.223 -0.042 0.000 2.592 347 L HA 0.156 4.498 4.340 0.004 0.000 0.227 347 L C 0.893 177.750 176.870 -0.022 0.000 1.127 347 L CA 0.453 55.280 54.840 -0.023 0.000 0.884 347 L CB -0.287 41.760 42.059 -0.019 0.000 1.065 347 L HN 0.937 nan 8.230 nan 0.000 0.457 348 E N -1.708 118.470 120.200 -0.036 0.000 2.429 348 E HA 0.249 4.601 4.350 0.004 0.000 0.276 348 E C -1.378 175.191 176.600 -0.053 0.000 0.953 348 E CA -0.996 55.384 56.400 -0.033 0.000 0.787 348 E CB 1.327 31.010 29.700 -0.029 0.000 1.307 348 E HN -0.199 nan 8.360 nan 0.000 0.458 349 D N 1.372 121.748 120.400 -0.040 0.000 2.488 349 D HA 0.014 4.657 4.640 0.004 0.000 0.238 349 D C 0.912 177.163 176.300 -0.080 0.000 1.138 349 D CA -0.009 53.959 54.000 -0.053 0.000 0.873 349 D CB 0.976 41.767 40.800 -0.015 0.000 1.183 349 D HN 0.331 nan 8.370 nan 0.000 0.458 350 L N 1.494 122.622 121.223 -0.159 0.000 2.093 350 L HA -0.081 4.262 4.340 0.004 0.000 0.208 350 L C 1.065 177.946 176.870 0.019 0.000 1.085 350 L CA 1.623 56.351 54.840 -0.188 0.000 0.755 350 L CB -0.239 41.453 42.059 -0.612 0.000 0.904 350 L HN 0.404 nan 8.230 nan 0.000 0.435 351 D N -1.455 118.988 120.400 0.071 0.000 2.978 351 D HA 0.372 5.015 4.640 0.004 0.000 0.268 351 D C 0.708 177.041 176.300 0.055 0.000 1.252 351 D CA 0.554 54.612 54.000 0.097 0.000 0.771 351 D CB -0.145 40.751 40.800 0.159 0.000 1.361 351 D HN 0.202 nan 8.370 nan 0.000 0.558 352 G N 2.059 110.878 108.800 0.031 0.000 2.660 352 G HA2 -0.370 3.592 3.960 0.004 0.000 0.321 352 G HA3 -0.370 3.592 3.960 0.004 0.000 0.321 352 G C 0.750 175.676 174.900 0.044 0.000 1.246 352 G CA 0.595 45.712 45.100 0.027 0.000 1.000 352 G HN 0.464 nan 8.290 nan 0.000 0.550 353 E N 1.481 121.710 120.200 0.048 0.000 2.444 353 E HA 0.131 4.483 4.350 0.004 0.000 0.191 353 E C 1.442 178.102 176.600 0.101 0.000 1.041 353 E CA -0.111 56.332 56.400 0.073 0.000 0.883 353 E CB 0.068 29.801 29.700 0.054 0.000 1.024 353 E HN 0.377 nan 8.360 nan 0.000 0.470 354 N N -0.221 118.530 118.700 0.085 0.000 2.392 354 N HA -0.012 4.730 4.740 0.004 0.000 0.177 354 N C 0.065 175.658 175.510 0.138 0.000 1.066 354 N CA 0.499 53.592 53.050 0.072 0.000 0.895 354 N CB 0.468 38.936 38.487 -0.031 0.000 0.988 354 N HN 0.191 nan 8.380 nan 0.000 0.457 355 W N 0.904 122.107 121.300 -0.163 0.000 3.440 355 W HA 0.373 5.034 4.660 0.002 0.000 0.407 355 W C -0.718 175.458 176.519 -0.573 0.000 1.078 355 W CA -0.927 56.097 57.345 -0.535 0.000 1.240 355 W CB -0.123 29.138 29.460 -0.331 0.000 1.485 355 W HN -0.452 nan 8.180 nan 0.000 0.633 356 R N 2.407 122.400 120.500 -0.845 0.000 2.623 356 R HA 0.231 4.574 4.340 0.004 0.000 0.271 356 R C 0.120 176.300 176.300 -0.201 0.000 1.043 356 R CA -0.184 55.613 56.100 -0.504 0.000 1.083 356 R CB 0.314 30.211 30.300 -0.672 0.000 0.974 356 R HN 0.040 nan 8.270 nan 0.000 0.436 357 R N 1.921 122.413 120.500 -0.013 0.000 2.674 357 R HA 0.174 4.517 4.340 0.004 0.000 0.266 357 R C -0.055 176.238 176.300 -0.012 0.000 1.016 357 R CA -0.973 55.133 56.100 0.010 0.000 1.062 357 R CB 0.635 30.979 30.300 0.073 0.000 1.142 357 R HN 0.518 nan 8.270 nan 0.000 0.517 358 K N 0.288 120.683 120.400 -0.009 0.000 2.550 358 K HA -0.069 4.253 4.320 0.004 0.000 0.280 358 K C 0.585 177.202 176.600 0.028 0.000 0.987 358 K CA 1.616 57.902 56.287 -0.002 0.000 1.048 358 K CB 0.018 32.519 32.500 0.002 0.000 0.879 358 K HN 0.773 nan 8.250 nan 0.000 0.491 359 G N 2.081 110.907 108.800 0.044 0.000 2.175 359 G HA2 -0.284 3.679 3.960 0.004 0.000 0.244 359 G HA3 -0.284 3.679 3.960 0.004 0.000 0.244 359 G C -0.104 174.913 174.900 0.194 0.000 0.982 359 G CA 0.301 45.463 45.100 0.103 0.000 0.641 359 G HN 0.889 nan 8.290 nan 0.000 0.527 360 S N -0.226 115.553 115.700 0.132 0.000 2.580 360 S HA 0.740 5.212 4.470 0.004 0.000 0.274 360 S C -0.189 174.493 174.600 0.136 0.000 1.329 360 S CA -0.445 57.866 58.200 0.185 0.000 1.036 360 S CB 2.581 65.837 63.200 0.094 0.000 0.919 360 S HN 1.258 nan 8.310 nan 0.000 0.515 361 L N 1.782 123.116 121.223 0.186 0.000 2.346 361 L HA 0.814 5.156 4.340 0.004 0.000 0.276 361 L C -0.191 176.629 176.870 -0.083 0.000 1.006 361 L CA 0.273 55.095 54.840 -0.030 0.000 0.817 361 L CB 2.140 44.029 42.059 -0.285 0.000 1.272 361 L HN 1.012 nan 8.230 nan 0.000 0.421 362 T N 3.435 117.769 114.554 -0.367 0.000 2.889 362 T HA 0.685 5.038 4.350 0.004 0.000 0.315 362 T C -1.530 172.718 174.700 -0.753 0.000 1.291 362 T CA -0.150 61.514 62.100 -0.727 0.000 1.028 362 T CB 0.658 69.330 68.868 -0.326 0.000 1.235 362 T HN 0.457 nan 8.240 nan 0.000 0.491 363 F N 0.747 119.778 119.950 -1.531 0.000 3.461 363 F HA 0.828 5.356 4.527 0.003 0.000 0.328 363 F C 0.106 175.565 175.800 -0.568 0.000 1.160 363 F CA 0.502 58.082 58.000 -0.700 0.000 0.879 363 F CB 1.192 40.099 39.000 -0.155 0.000 1.559 363 F HN 0.941 nan 8.300 nan 0.000 0.510 364 G N -0.712 107.912 108.800 -0.294 0.000 2.554 364 G HA2 0.553 4.515 3.960 0.004 0.000 0.306 364 G HA3 0.553 4.515 3.960 0.004 0.000 0.306 364 G C -1.702 173.130 174.900 -0.113 0.000 1.320 364 G CA -0.129 44.903 45.100 -0.113 0.000 0.800 364 G HN 1.113 nan 8.290 nan 0.000 0.481 365 G N -1.566 107.168 108.800 -0.110 0.000 2.620 365 G HA2 0.597 4.560 3.960 0.004 0.000 0.301 365 G HA3 0.597 4.560 3.960 0.004 0.000 0.301 365 G C 1.016 175.846 174.900 -0.116 0.000 1.347 365 G CA 0.512 45.525 45.100 -0.146 0.000 0.971 365 G HN 1.548 nan 8.290 nan 0.000 0.488 366 G N 1.655 110.354 108.800 -0.168 0.000 2.679 366 G HA2 -0.219 3.744 3.960 0.004 0.000 0.222 366 G HA3 -0.219 3.744 3.960 0.004 0.000 0.222 366 G C -0.408 174.582 174.900 0.150 0.000 1.164 366 G CA 1.482 46.556 45.100 -0.043 0.000 0.769 366 G HN 0.594 nan 8.290 nan 0.000 0.610 367 P HA 0.153 nan 4.420 nan 0.000 0.246 367 P C -0.216 177.149 177.300 0.109 0.000 1.686 367 P CA -0.244 62.902 63.100 0.076 0.000 0.867 367 P CB -0.587 31.138 31.700 0.043 0.000 1.733 368 N N -0.613 118.198 118.700 0.184 0.000 2.780 368 N HA -0.148 4.594 4.740 0.004 0.000 0.248 368 N C -0.300 175.336 175.510 0.210 0.000 1.102 368 N CA 0.579 53.667 53.050 0.063 0.000 0.697 368 N CB -1.523 36.790 38.487 -0.291 0.000 1.028 368 N HN 0.388 nan 8.380 nan 0.000 0.554 369 I N 1.037 121.734 120.570 0.211 0.000 2.395 369 I HA 0.261 4.434 4.170 0.004 0.000 0.289 369 I C 0.546 176.809 176.117 0.245 0.000 1.023 369 I CA -0.438 60.904 61.300 0.071 0.000 1.350 369 I CB 1.461 39.269 38.000 -0.320 0.000 1.409 369 I HN -0.247 nan 8.210 nan 0.000 0.507 370 V N 6.602 126.692 119.914 0.294 0.000 2.638 370 V HA 0.459 4.582 4.120 0.004 0.000 0.306 370 V C -0.768 175.571 176.094 0.409 0.000 1.052 370 V CA -0.583 61.889 62.300 0.287 0.000 0.885 370 V CB 1.774 33.758 31.823 0.268 0.000 0.999 370 V HN 0.771 nan 8.190 nan 0.000 0.424 371 W N 4.670 126.171 121.300 0.335 0.000 2.864 371 W HA 0.893 5.560 4.660 0.011 0.000 0.343 371 W C -1.148 175.566 176.519 0.325 0.000 1.109 371 W CA -1.020 56.557 57.345 0.387 0.000 1.192 371 W CB 1.927 31.689 29.460 0.504 0.000 1.426 371 W HN 0.687 nan 8.180 nan 0.000 0.529 372 Q N 1.521 121.685 119.800 0.607 0.000 2.391 372 Q HA 0.733 5.075 4.340 0.004 0.000 0.279 372 Q C -2.054 174.272 176.000 0.545 0.000 1.028 372 Q CA -0.782 55.281 55.803 0.434 0.000 0.836 372 Q CB 2.780 31.646 28.738 0.214 0.000 1.414 372 Q HN 0.542 nan 8.270 nan 0.000 0.397 373 I N 1.710 122.595 120.570 0.526 0.000 2.466 373 I HA 0.426 4.599 4.170 0.004 0.000 0.289 373 I C -1.119 175.258 176.117 0.433 0.000 1.026 373 I CA -0.739 60.854 61.300 0.487 0.000 1.078 373 I CB 2.064 40.424 38.000 0.599 0.000 1.249 373 I HN 0.700 nan 8.210 nan 0.000 0.429 374 D N 8.578 129.158 120.400 0.300 0.000 2.432 374 D HA 0.319 4.962 4.640 0.004 0.000 0.265 374 D C -1.989 174.378 176.300 0.111 0.000 1.160 374 D CA -2.127 52.008 54.000 0.226 0.000 0.911 374 D CB 1.805 42.770 40.800 0.274 0.000 1.052 374 D HN 0.111 nan 8.370 nan 0.000 0.508 375 P HA -0.144 nan 4.420 nan 0.000 0.215 375 P C 1.329 178.604 177.300 -0.042 0.000 1.153 375 P CA 1.188 64.226 63.100 -0.104 0.000 0.853 375 P CB 0.415 31.929 31.700 -0.310 0.000 0.788 376 K N -0.201 120.194 120.400 -0.008 0.000 2.097 376 K HA -0.097 4.225 4.320 0.004 0.000 0.206 376 K C 1.903 178.524 176.600 0.035 0.000 1.049 376 K CA 1.568 57.863 56.287 0.012 0.000 0.933 376 K CB -0.569 31.947 32.500 0.027 0.000 0.717 376 K HN -0.026 nan 8.250 nan 0.000 0.442 377 A N 0.009 122.870 122.820 0.068 0.000 2.123 377 A HA 0.176 4.498 4.320 0.004 0.000 0.214 377 A C 1.393 178.977 177.584 -0.001 0.000 1.152 377 A CA 0.888 52.961 52.037 0.059 0.000 0.728 377 A CB -0.434 18.647 19.000 0.135 0.000 0.814 377 A HN 0.567 nan 8.150 nan 0.000 0.464 378 G N -1.335 107.470 108.800 0.008 0.000 2.160 378 G HA2 -0.190 3.772 3.960 0.004 0.000 0.244 378 G HA3 -0.190 3.772 3.960 0.004 0.000 0.244 378 G C -0.143 174.758 174.900 0.003 0.000 1.022 378 G CA 0.514 45.615 45.100 0.002 0.000 0.741 378 G HN 0.515 nan 8.290 nan 0.000 0.508 379 L N -0.600 120.628 121.223 0.009 0.000 2.388 379 L HA 0.771 5.113 4.340 0.004 0.000 0.264 379 L C 0.682 177.628 176.870 0.127 0.000 0.998 379 L CA -0.986 53.860 54.840 0.009 0.000 0.817 379 L CB 2.428 44.383 42.059 -0.173 0.000 1.338 379 L HN 0.549 nan 8.230 nan 0.000 0.414 380 C N -0.351 119.050 119.300 0.169 0.000 2.712 380 C HA 1.004 5.466 4.460 0.004 0.000 0.308 380 C C 0.013 175.173 174.990 0.284 0.000 1.201 380 C CA -0.516 58.659 59.018 0.260 0.000 1.554 380 C CB 1.171 29.078 27.740 0.279 0.000 2.117 380 C HN 0.921 nan 8.230 nan 0.000 0.480 381 T N 0.447 115.229 114.554 0.379 0.000 2.900 381 T HA 0.762 5.114 4.350 0.004 0.000 0.303 381 T C -1.381 173.653 174.700 0.558 0.000 1.142 381 T CA -0.532 61.844 62.100 0.460 0.000 1.007 381 T CB 1.630 70.744 68.868 0.410 0.000 1.156 381 T HN 1.522 nan 8.240 nan 0.000 0.490 382 L N 1.244 122.833 121.223 0.610 0.000 2.464 382 L HA 0.875 5.217 4.340 0.004 0.000 0.266 382 L C -1.244 175.929 176.870 0.505 0.000 0.965 382 L CA -0.692 54.499 54.840 0.585 0.000 0.833 382 L CB 1.832 44.197 42.059 0.510 0.000 1.296 382 L HN 1.226 nan 8.230 nan 0.000 0.405 383 A N 4.313 127.434 122.820 0.503 0.000 2.332 383 A HA 0.749 5.072 4.320 0.004 0.000 0.300 383 A C -1.652 176.167 177.584 0.393 0.000 1.153 383 A CA -0.221 52.021 52.037 0.341 0.000 0.764 383 A CB 0.432 19.727 19.000 0.492 0.000 1.174 383 A HN 0.505 nan 8.150 nan 0.000 0.467 384 F N 2.364 122.298 119.950 -0.026 0.000 2.427 384 F HA 0.716 5.249 4.527 0.010 0.000 0.348 384 F C -0.633 175.087 175.800 -0.133 0.000 1.125 384 F CA -0.528 57.486 58.000 0.022 0.000 0.989 384 F CB 1.228 40.221 39.000 -0.012 0.000 1.165 384 F HN 0.541 nan 8.300 nan 0.000 0.442 385 F N 1.896 121.919 119.950 0.121 0.000 2.639 385 F HA 0.517 5.048 4.527 0.006 0.000 0.339 385 F C 0.094 175.940 175.800 0.077 0.000 1.071 385 F CA -0.821 57.250 58.000 0.119 0.000 0.994 385 F CB 1.373 40.417 39.000 0.073 0.000 1.341 385 F HN 0.112 nan 8.300 nan 0.000 0.498 386 Q N 2.249 122.237 119.800 0.313 0.000 2.928 386 Q HA 0.334 4.677 4.340 0.004 0.000 0.353 386 Q C -1.634 174.484 176.000 0.196 0.000 0.870 386 Q CA -0.232 55.708 55.803 0.227 0.000 0.963 386 Q CB 1.688 30.580 28.738 0.256 0.000 1.419 386 Q HN 0.449 nan 8.270 nan 0.000 0.396 387 L N 0.365 121.679 121.223 0.153 0.000 2.439 387 L HA 0.476 4.818 4.340 0.004 0.000 0.270 387 L C -0.687 176.190 176.870 0.013 0.000 0.972 387 L CA -0.085 54.800 54.840 0.075 0.000 0.836 387 L CB 1.642 43.723 42.059 0.037 0.000 1.255 387 L HN 0.004 nan 8.230 nan 0.000 0.404 388 E N 5.512 125.718 120.200 0.009 0.000 2.227 388 E HA 0.546 4.899 4.350 0.004 0.000 0.268 388 E C -2.570 173.892 176.600 -0.230 0.000 0.990 388 E CA -1.755 54.635 56.400 -0.015 0.000 0.856 388 E CB 1.520 31.296 29.700 0.126 0.000 1.159 388 E HN 0.410 nan 8.360 nan 0.000 0.401 389 P HA 0.023 nan 4.420 nan 0.000 0.278 389 P C 0.068 177.350 177.300 -0.031 0.000 1.258 389 P CA -0.594 62.476 63.100 -0.050 0.000 0.811 389 P CB 0.780 32.461 31.700 -0.031 0.000 1.063 390 W N 2.602 123.817 121.300 -0.141 0.000 2.345 390 W HA -0.136 4.525 4.660 0.002 0.000 0.346 390 W C 0.482 176.900 176.519 -0.169 0.000 1.243 390 W CA 1.012 58.260 57.345 -0.162 0.000 1.327 390 W CB -0.446 28.914 29.460 -0.167 0.000 1.187 390 W HN 0.669 nan 8.180 nan 0.000 0.588 391 N N 2.612 120.542 118.700 -1.282 0.000 2.776 391 N HA -0.284 4.458 4.740 0.004 0.000 0.249 391 N C -0.965 174.221 175.510 -0.540 0.000 1.111 391 N CA 1.483 53.921 53.050 -1.019 0.000 0.711 391 N CB -1.708 36.348 38.487 -0.719 0.000 1.065 391 N HN 0.525 nan 8.380 nan 0.000 0.556 392 D N -0.493 119.611 120.400 -0.493 0.000 2.417 392 D HA 0.177 4.820 4.640 0.004 0.000 0.250 392 D C -1.163 174.927 176.300 -0.351 0.000 1.166 392 D CA -1.540 52.243 54.000 -0.361 0.000 0.881 392 D CB 0.918 41.503 40.800 -0.358 0.000 1.164 392 D HN 0.118 nan 8.370 nan 0.000 0.467 393 P HA -0.187 nan 4.420 nan 0.000 0.216 393 P C 1.409 178.565 177.300 -0.240 0.000 1.153 393 P CA 0.584 63.546 63.100 -0.230 0.000 0.858 393 P CB 0.195 31.794 31.700 -0.169 0.000 0.789 394 V N -0.691 119.078 119.914 -0.242 0.000 2.295 394 V HA -0.282 3.841 4.120 0.004 0.000 0.246 394 V C 2.571 178.469 176.094 -0.325 0.000 1.049 394 V CA 2.042 64.195 62.300 -0.244 0.000 1.024 394 V CB -1.446 30.253 31.823 -0.206 0.000 0.648 394 V HN 0.202 nan 8.190 nan 0.000 0.447 395 C N -0.274 118.751 119.300 -0.459 0.000 2.446 395 C HA -0.121 4.341 4.460 0.004 0.000 0.277 395 C C 2.942 177.658 174.990 -0.457 0.000 1.275 395 C CA 1.286 59.864 59.018 -0.734 0.000 1.727 395 C CB -1.093 25.954 27.740 -1.156 0.000 2.010 395 C HN 0.631 nan 8.230 nan 0.000 0.486 396 R N 1.385 121.651 120.500 -0.389 0.000 2.083 396 R HA -0.162 4.181 4.340 0.004 0.000 0.237 396 R C 1.608 177.803 176.300 -0.176 0.000 1.137 396 R CA 2.398 58.335 56.100 -0.271 0.000 0.951 396 R CB -0.528 29.596 30.300 -0.293 0.000 0.851 396 R HN 0.423 nan 8.270 nan 0.000 0.434 397 D N 0.583 120.866 120.400 -0.195 0.000 2.117 397 D HA -0.149 4.493 4.640 0.004 0.000 0.197 397 D C 2.054 178.258 176.300 -0.160 0.000 0.987 397 D CA 1.310 55.208 54.000 -0.169 0.000 0.829 397 D CB -0.202 40.499 40.800 -0.166 0.000 0.961 397 D HN 0.294 nan 8.370 nan 0.000 0.460 398 L N 0.594 121.698 121.223 -0.199 0.000 2.046 398 L HA -0.167 4.176 4.340 0.004 0.000 0.208 398 L C 2.499 179.452 176.870 0.138 0.000 1.077 398 L CA 1.228 55.919 54.840 -0.249 0.000 0.747 398 L CB -0.706 40.980 42.059 -0.622 0.000 0.896 398 L HN 0.036 nan 8.230 nan 0.000 0.432 399 T N -0.765 113.926 114.554 0.229 0.000 2.708 399 T HA -0.200 4.153 4.350 0.004 0.000 0.266 399 T C 2.032 176.871 174.700 0.232 0.000 1.037 399 T CA 1.281 63.629 62.100 0.413 0.000 1.146 399 T CB -0.190 68.877 68.868 0.333 0.000 0.865 399 T HN 0.272 nan 8.240 nan 0.000 0.435 400 R N 0.537 121.015 120.500 -0.036 0.000 2.091 400 R HA -0.079 4.263 4.340 0.004 0.000 0.238 400 R C 2.805 178.743 176.300 -0.604 0.000 1.136 400 R CA 1.750 57.597 56.100 -0.422 0.000 0.959 400 R CB -0.729 29.274 30.300 -0.496 0.000 0.856 400 R HN 0.329 nan 8.270 nan 0.000 0.437 401 T N 1.181 115.594 114.554 -0.235 0.000 2.746 401 T HA -0.182 4.170 4.350 0.004 0.000 0.267 401 T C 1.378 176.144 174.700 0.110 0.000 1.039 401 T CA 1.486 63.541 62.100 -0.074 0.000 1.142 401 T CB -0.371 68.504 68.868 0.013 0.000 0.866 401 T HN 0.221 nan 8.240 nan 0.000 0.444 402 F N 2.423 122.470 119.950 0.162 0.000 2.046 402 F HA -0.117 4.411 4.527 0.001 0.000 0.297 402 F C 2.199 178.095 175.800 0.160 0.000 1.123 402 F CA 1.504 59.641 58.000 0.228 0.000 1.199 402 F CB -0.667 38.537 39.000 0.339 0.000 0.972 402 F HN 0.176 nan 8.300 nan 0.000 0.474 403 E N -0.700 119.267 120.200 -0.387 0.000 2.077 403 E HA -0.248 4.105 4.350 0.004 0.000 0.193 403 E C 2.144 178.693 176.600 -0.084 0.000 0.989 403 E CA 1.692 57.898 56.400 -0.322 0.000 0.800 403 E CB -0.578 29.156 29.700 0.056 0.000 0.746 403 E HN 0.679 nan 8.360 nan 0.000 0.452 404 H N 0.165 119.020 119.070 -0.358 0.000 2.319 404 H HA -0.125 4.433 4.556 0.004 0.000 0.299 404 H C 2.248 177.505 175.328 -0.118 0.000 1.092 404 H CA 0.732 56.563 56.048 -0.362 0.000 1.302 404 H CB 0.000 29.505 29.762 -0.429 0.000 1.373 404 H HN 0.190 nan 8.280 nan 0.000 0.497 405 A N 1.284 124.137 122.820 0.054 0.000 1.877 405 A HA -0.146 4.176 4.320 0.004 0.000 0.216 405 A C 2.332 179.920 177.584 0.007 0.000 1.186 405 A CA 1.272 53.329 52.037 0.034 0.000 0.620 405 A CB -0.368 18.676 19.000 0.074 0.000 0.822 405 A HN 0.246 nan 8.150 nan 0.000 0.443 406 I N -1.596 118.977 120.570 0.005 0.000 2.179 406 I HA -0.228 3.945 4.170 0.004 0.000 0.242 406 I C 2.401 178.562 176.117 0.074 0.000 1.088 406 I CA 1.437 62.753 61.300 0.027 0.000 1.357 406 I CB -1.489 36.457 38.000 -0.091 0.000 1.051 406 I HN 0.430 nan 8.210 nan 0.000 0.409 407 Y N 1.168 121.470 120.300 0.002 0.000 2.128 407 Y HA -0.239 4.314 4.550 0.006 0.000 0.284 407 Y C 2.712 178.608 175.900 -0.005 0.000 1.154 407 Y CA 1.783 59.912 58.100 0.049 0.000 1.149 407 Y CB -0.462 38.074 38.460 0.126 0.000 0.976 407 Y HN 0.150 nan 8.280 nan 0.000 0.505 408 A N -0.529 122.354 122.820 0.105 0.000 1.902 408 A HA -0.264 4.058 4.320 0.004 0.000 0.217 408 A C 2.065 179.588 177.584 -0.102 0.000 1.181 408 A CA 2.019 54.055 52.037 -0.002 0.000 0.623 408 A CB -0.570 18.410 19.000 -0.034 0.000 0.818 408 A HN 0.545 nan 8.150 nan 0.000 0.443 409 Q N -2.952 116.714 119.800 -0.223 0.000 2.297 409 Q HA 0.050 4.392 4.340 0.004 0.000 0.203 409 Q C 0.719 176.344 176.000 -0.626 0.000 0.931 409 Q CA 0.902 56.386 55.803 -0.532 0.000 0.885 409 Q CB 0.213 28.437 28.738 -0.857 0.000 0.991 409 Q HN 0.869 nan 8.270 nan 0.000 0.498 410 Y N -0.662 119.604 120.300 -0.057 0.000 2.499 410 Y HA 0.120 4.676 4.550 0.009 0.000 0.253 410 Y C -0.034 175.807 175.900 -0.098 0.000 1.105 410 Y CA -0.812 57.244 58.100 -0.074 0.000 1.240 410 Y CB 0.742 39.145 38.460 -0.095 0.000 1.289 410 Y HN 0.048 nan 8.280 nan 0.000 0.534 411 Q N 1.559 121.354 119.800 -0.008 0.000 2.337 411 Q HA 0.189 4.532 4.340 0.004 0.000 0.270 411 Q C -0.367 175.629 176.000 -0.005 0.000 1.002 411 Q CA -0.028 55.729 55.803 -0.077 0.000 0.888 411 Q CB 1.297 29.983 28.738 -0.087 0.000 1.222 411 Q HN 0.346 nan 8.270 nan 0.000 0.400 412 Q N 0.000 119.796 119.800 -0.006 0.000 2.315 412 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 412 Q CA 0.000 55.811 55.803 0.014 0.000 1.022 412 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481