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 2yzg_1_A DATA FIRST_RESID 2 DATA SEQUENCE RVLLIAGGVS PEHEVSLLSA EGVLRHIPFP TDLAVIAQDG RWLLGEKALT DATA SEQUENCE ALEAKAAPEG EHPFPPPLSW ERYDVVFPLL HGRFGEDGTV QGFLELLGKP DATA SEQUENCE YVGAGVAASA LCXDKDLSKR VLAQAGVPVV PWVAVRKGEP PVVPFDPPFF DATA SEQUENCE VKPANTGSSV GISRVERFQD LEAALALAFR YDEKAVVEKA LSPVRELEVG DATA SEQUENCE VLGNVFGEAS PVGEVRYEAP FYDYETKYTP GRAELLIPAP LDPGTQETVQ DATA SEQUENCE ELALKAYKVL GVRGXARVDF FLAEGELYLN ELNTIPGFTP TSXYPRLFEA DATA SEQUENCE GGVAYPELLR RLVELALT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.395 176.300 0.158 0.000 0.893 2 R CA 0.000 56.132 56.100 0.053 0.000 0.921 2 R CB 0.000 30.310 30.300 0.017 0.000 0.687 3 V N 4.562 124.592 119.914 0.195 0.000 2.581 3 V HA 0.570 4.690 4.120 -0.000 0.000 0.303 3 V C -0.691 175.464 176.094 0.102 0.000 1.041 3 V CA -0.895 61.506 62.300 0.168 0.000 0.907 3 V CB 1.699 33.602 31.823 0.133 0.000 0.994 3 V HN 0.606 nan 8.190 nan 0.000 0.442 4 L N 4.861 126.037 121.223 -0.078 0.000 2.313 4 L HA 0.670 5.010 4.340 -0.000 0.000 0.283 4 L C -0.989 175.829 176.870 -0.088 0.000 1.013 4 L CA -0.142 54.478 54.840 -0.366 0.000 0.816 4 L CB 1.321 42.894 42.059 -0.811 0.000 1.236 4 L HN 0.518 nan 8.230 nan 0.000 0.419 5 L N 5.986 127.155 121.223 -0.091 0.000 2.295 5 L HA 0.531 4.871 4.340 -0.000 0.000 0.285 5 L C -0.768 176.086 176.870 -0.025 0.000 1.035 5 L CA 0.036 54.840 54.840 -0.061 0.000 0.806 5 L CB 1.512 43.485 42.059 -0.144 0.000 1.214 5 L HN 0.508 nan 8.230 nan 0.000 0.426 6 I N 3.986 124.566 120.570 0.017 0.000 2.390 6 I HA 0.677 4.847 4.170 -0.000 0.000 0.283 6 I C 0.048 176.118 176.117 -0.078 0.000 1.016 6 I CA 0.049 61.351 61.300 0.004 0.000 1.151 6 I CB 1.335 39.395 38.000 0.100 0.000 1.293 6 I HN 0.653 nan 8.210 nan 0.000 0.458 7 A N 3.598 126.340 122.820 -0.130 0.000 2.437 7 A HA 1.011 5.330 4.320 -0.000 0.000 0.292 7 A C 0.547 178.008 177.584 -0.205 0.000 1.173 7 A CA -0.006 51.938 52.037 -0.156 0.000 0.785 7 A CB 1.021 19.939 19.000 -0.135 0.000 1.351 7 A HN 1.116 nan 8.150 nan 0.000 0.431 8 G N -0.869 107.780 108.800 -0.252 0.000 2.848 8 G HA2 0.524 4.484 3.960 -0.000 0.000 0.246 8 G HA3 0.524 4.484 3.960 -0.000 0.000 0.246 8 G C 1.401 176.250 174.900 -0.085 0.000 1.374 8 G CA 0.896 45.767 45.100 -0.383 0.000 0.982 8 G HN 3.147 nan 8.290 nan 0.000 0.563 9 G N -2.622 106.224 108.800 0.077 0.000 2.663 9 G HA2 0.319 4.279 3.960 -0.000 0.000 0.686 9 G HA3 0.319 4.279 3.960 -0.000 0.000 0.686 9 G C 0.911 175.913 174.900 0.169 0.000 1.288 9 G CA 1.346 46.494 45.100 0.080 0.000 0.836 9 G HN 2.311 nan 8.290 nan 0.000 0.584 10 V N -1.476 118.496 119.914 0.097 0.000 3.406 10 V HA 0.432 4.552 4.120 -0.000 0.000 0.263 10 V C 1.810 177.922 176.094 0.030 0.000 1.172 10 V CA 1.635 63.969 62.300 0.057 0.000 1.140 10 V CB -0.494 31.378 31.823 0.082 0.000 0.784 10 V HN 2.193 nan 8.190 nan 0.000 0.467 11 S N 1.443 117.169 115.700 0.042 0.000 2.617 11 S HA 0.285 4.755 4.470 -0.000 0.000 0.255 11 S C -1.191 173.436 174.600 0.045 0.000 1.318 11 S CA -0.027 58.183 58.200 0.016 0.000 0.978 11 S CB 0.227 63.442 63.200 0.025 0.000 0.961 11 S HN 0.312 nan 8.310 nan 0.000 0.582 12 P HA 0.141 nan 4.420 nan 0.000 0.231 12 P C 0.153 177.485 177.300 0.053 0.000 1.168 12 P CA 0.648 63.760 63.100 0.020 0.000 0.779 12 P CB -0.071 31.616 31.700 -0.021 0.000 0.844 13 E N -1.552 118.691 120.200 0.071 0.000 2.359 13 E HA -0.065 4.285 4.350 -0.000 0.000 0.187 13 E C 1.511 178.200 176.600 0.150 0.000 1.081 13 E CA -0.132 56.319 56.400 0.085 0.000 0.929 13 E CB -0.617 29.126 29.700 0.071 0.000 1.086 13 E HN 0.389 nan 8.360 nan 0.000 0.462 14 H N 1.776 120.875 119.070 0.049 0.000 2.319 14 H HA -0.130 4.426 4.556 -0.001 0.000 0.299 14 H C 1.340 176.694 175.328 0.042 0.000 1.092 14 H CA 1.733 57.804 56.048 0.038 0.000 1.302 14 H CB 0.492 30.259 29.762 0.010 0.000 1.373 14 H HN 0.290 nan 8.280 nan 0.000 0.497 15 E N -0.113 120.172 120.200 0.142 0.000 2.106 15 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 15 E C 2.364 178.970 176.600 0.011 0.000 0.984 15 E CA 0.928 57.369 56.400 0.068 0.000 0.806 15 E CB 0.064 29.830 29.700 0.110 0.000 0.750 15 E HN 0.229 nan 8.360 nan 0.000 0.458 16 V N 0.426 120.361 119.914 0.034 0.000 2.548 16 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 16 V C 2.304 178.457 176.094 0.098 0.000 1.055 16 V CA 1.995 64.319 62.300 0.040 0.000 1.065 16 V CB 0.069 31.888 31.823 -0.008 0.000 0.681 16 V HN 0.210 nan 8.190 nan 0.000 0.462 17 S N -0.473 115.304 115.700 0.127 0.000 2.370 17 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 17 S C 1.894 176.492 174.600 -0.004 0.000 1.033 17 S CA 2.082 60.360 58.200 0.129 0.000 1.011 17 S CB -0.390 62.809 63.200 -0.002 0.000 0.852 17 S HN 0.616 nan 8.310 nan 0.000 0.457 18 L N 0.772 121.935 121.223 -0.101 0.000 2.056 18 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 18 L C 2.490 179.350 176.870 -0.016 0.000 1.078 18 L CA 1.044 55.825 54.840 -0.098 0.000 0.749 18 L CB -0.572 41.401 42.059 -0.144 0.000 0.901 18 L HN 0.342 nan 8.230 nan 0.000 0.433 19 L N -0.867 120.366 121.223 0.017 0.000 2.079 19 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 19 L C 2.721 179.645 176.870 0.090 0.000 1.081 19 L CA 1.102 55.971 54.840 0.049 0.000 0.752 19 L CB -0.419 41.671 42.059 0.051 0.000 0.896 19 L HN 0.214 nan 8.230 nan 0.000 0.433 20 S N -0.338 115.438 115.700 0.127 0.000 2.368 20 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 20 S C 2.183 176.848 174.600 0.110 0.000 1.029 20 S CA 1.132 59.457 58.200 0.209 0.000 0.988 20 S CB -0.240 63.151 63.200 0.319 0.000 0.838 20 S HN 0.508 nan 8.310 nan 0.000 0.462 21 A N 1.474 124.303 122.820 0.014 0.000 1.940 21 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 21 A C 1.984 179.546 177.584 -0.038 0.000 1.176 21 A CA 2.015 54.008 52.037 -0.072 0.000 0.631 21 A CB -0.657 18.290 19.000 -0.087 0.000 0.814 21 A HN 0.546 nan 8.150 nan 0.000 0.446 22 E N 0.108 120.313 120.200 0.008 0.000 2.058 22 E HA -0.072 4.277 4.350 -0.000 0.000 0.194 22 E C 1.964 178.599 176.600 0.058 0.000 0.997 22 E CA 1.922 58.334 56.400 0.020 0.000 0.801 22 E CB -0.872 28.848 29.700 0.034 0.000 0.746 22 E HN 0.361 nan 8.360 nan 0.000 0.450 23 G N 0.210 109.099 108.800 0.148 0.000 2.421 23 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 23 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 23 G C 1.751 176.844 174.900 0.322 0.000 1.171 23 G CA 1.125 46.417 45.100 0.321 0.000 0.775 23 G HN 0.257 nan 8.290 nan 0.000 0.543 24 V N 1.006 120.990 119.914 0.116 0.000 2.332 24 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 24 V C 2.912 178.930 176.094 -0.126 0.000 1.055 24 V CA 1.446 63.673 62.300 -0.122 0.000 1.038 24 V CB -0.477 31.090 31.823 -0.427 0.000 0.651 24 V HN 0.332 nan 8.190 nan 0.000 0.450 25 L N -0.627 120.535 121.223 -0.103 0.000 2.083 25 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 25 L C 2.734 179.535 176.870 -0.116 0.000 1.083 25 L CA 1.573 56.355 54.840 -0.096 0.000 0.752 25 L CB -0.483 41.532 42.059 -0.073 0.000 0.899 25 L HN 0.247 nan 8.230 nan 0.000 0.433 26 R N -1.219 119.178 120.500 -0.172 0.000 2.235 26 R HA -0.084 4.256 4.340 -0.000 0.000 0.213 26 R C 1.215 177.189 176.300 -0.542 0.000 1.059 26 R CA 0.919 56.798 56.100 -0.368 0.000 0.997 26 R CB 0.003 30.007 30.300 -0.494 0.000 0.884 26 R HN 0.537 nan 8.270 nan 0.000 0.462 27 H N -1.770 117.290 119.070 -0.017 0.000 3.360 27 H HA 0.211 4.767 4.556 -0.000 0.000 0.262 27 H C 0.092 175.330 175.328 -0.150 0.000 1.149 27 H CA -0.521 55.493 56.048 -0.057 0.000 1.181 27 H CB 0.807 30.563 29.762 -0.011 0.000 1.564 27 H HN -0.006 nan 8.280 nan 0.000 0.565 28 I N 5.377 125.898 120.570 -0.081 0.000 2.668 28 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 28 I C -1.661 174.394 176.117 -0.103 0.000 1.168 28 I CA -1.672 59.567 61.300 -0.102 0.000 1.424 28 I CB 1.020 38.982 38.000 -0.063 0.000 1.377 28 I HN 0.034 nan 8.210 nan 0.000 0.560 29 P HA 0.217 nan 4.420 nan 0.000 0.228 29 P C -1.044 175.961 177.300 -0.491 0.000 1.764 29 P CA 0.291 63.182 63.100 -0.349 0.000 0.929 29 P CB -0.568 30.867 31.700 -0.441 0.000 1.675 30 F N -0.157 119.796 119.950 0.004 0.000 2.641 30 F HA 0.379 4.906 4.527 -0.000 0.000 0.308 30 F C -2.332 173.479 175.800 0.019 0.000 1.105 30 F CA -2.918 55.092 58.000 0.017 0.000 0.964 30 F CB 2.044 41.062 39.000 0.030 0.000 1.294 30 F HN -0.279 nan 8.300 nan 0.000 0.442 31 P HA 0.154 nan 4.420 nan 0.000 0.267 31 P C -1.041 176.349 177.300 0.150 0.000 1.209 31 P CA 0.296 63.481 63.100 0.141 0.000 0.763 31 P CB 0.658 32.421 31.700 0.106 0.000 0.816 32 T N 2.626 117.249 114.554 0.115 0.000 2.916 32 T HA 0.359 4.708 4.350 -0.000 0.000 0.298 32 T C -0.825 173.925 174.700 0.083 0.000 1.031 32 T CA -0.603 61.560 62.100 0.105 0.000 0.993 32 T CB 1.372 70.275 68.868 0.058 0.000 1.045 32 T HN 0.177 nan 8.240 nan 0.000 0.454 33 D N 1.519 121.979 120.400 0.100 0.000 2.228 33 D HA 0.622 5.262 4.640 -0.000 0.000 0.247 33 D C -0.798 175.482 176.300 -0.033 0.000 0.995 33 D CA -0.532 53.508 54.000 0.067 0.000 0.903 33 D CB 2.051 42.967 40.800 0.193 0.000 1.205 33 D HN 0.269 nan 8.370 nan 0.000 0.459 34 L N 0.829 122.039 121.223 -0.022 0.000 2.346 34 L HA 0.753 5.093 4.340 -0.000 0.000 0.274 34 L C -1.333 175.532 176.870 -0.009 0.000 1.007 34 L CA -0.590 54.229 54.840 -0.035 0.000 0.818 34 L CB 1.648 43.690 42.059 -0.029 0.000 1.284 34 L HN 0.423 nan 8.230 nan 0.000 0.424 35 A N 4.549 127.373 122.820 0.006 0.000 2.359 35 A HA 0.778 5.098 4.320 -0.000 0.000 0.303 35 A C -1.571 176.023 177.584 0.016 0.000 1.066 35 A CA -0.529 51.564 52.037 0.093 0.000 0.730 35 A CB 1.564 20.700 19.000 0.227 0.000 1.211 35 A HN 0.496 nan 8.150 nan 0.000 0.439 36 V N 3.387 123.305 119.914 0.007 0.000 2.459 36 V HA 0.364 4.484 4.120 -0.000 0.000 0.295 36 V C -0.736 175.229 176.094 -0.216 0.000 1.029 36 V CA -0.421 61.820 62.300 -0.099 0.000 0.874 36 V CB 1.461 33.266 31.823 -0.030 0.000 0.985 36 V HN 0.732 nan 8.190 nan 0.000 0.438 37 I N 4.662 124.994 120.570 -0.396 0.000 2.312 37 I HA 0.515 4.685 4.170 -0.000 0.000 0.291 37 I C 0.839 176.891 176.117 -0.109 0.000 1.031 37 I CA 0.254 61.242 61.300 -0.519 0.000 1.293 37 I CB 1.114 38.733 38.000 -0.635 0.000 1.403 37 I HN 0.726 nan 8.210 nan 0.000 0.484 38 A N 5.395 128.195 122.820 -0.033 0.000 2.296 38 A HA 0.248 4.567 4.320 -0.000 0.000 0.264 38 A C 1.146 178.712 177.584 -0.030 0.000 1.097 38 A CA -0.178 51.883 52.037 0.039 0.000 0.811 38 A CB 0.238 19.255 19.000 0.028 0.000 1.072 38 A HN 0.775 nan 8.150 nan 0.000 0.495 39 Q N -0.298 119.396 119.800 -0.177 0.000 2.234 39 Q HA -0.192 4.147 4.340 -0.000 0.000 0.206 39 Q C 0.728 176.689 176.000 -0.065 0.000 0.980 39 Q CA 1.715 57.400 55.803 -0.197 0.000 0.869 39 Q CB -0.166 28.386 28.738 -0.310 0.000 0.912 39 Q HN 0.920 nan 8.270 nan 0.000 0.436 40 D N -1.573 118.809 120.400 -0.031 0.000 2.349 40 D HA 0.030 4.669 4.640 -0.000 0.000 0.224 40 D C 1.087 177.416 176.300 0.049 0.000 1.029 40 D CA 0.829 54.836 54.000 0.011 0.000 0.879 40 D CB 0.030 40.839 40.800 0.015 0.000 0.906 40 D HN 0.269 nan 8.370 nan 0.000 0.528 41 G N -0.082 108.749 108.800 0.052 0.000 2.195 41 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.246 41 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.246 41 G C 0.304 175.311 174.900 0.177 0.000 0.984 41 G CA -0.087 45.070 45.100 0.095 0.000 0.633 41 G HN 0.472 nan 8.290 nan 0.000 0.525 42 R N -0.794 119.808 120.500 0.170 0.000 2.500 42 R HA 0.524 4.864 4.340 -0.000 0.000 0.275 42 R C -0.259 176.232 176.300 0.319 0.000 1.051 42 R CA -0.547 55.723 56.100 0.283 0.000 1.088 42 R CB 0.637 31.038 30.300 0.168 0.000 1.063 42 R HN 0.193 nan 8.270 nan 0.000 0.511 43 W N 1.984 123.363 121.300 0.132 0.000 2.375 43 W HA 0.426 5.087 4.660 0.000 0.000 0.336 43 W C -0.284 176.307 176.519 0.120 0.000 1.160 43 W CA -0.393 57.033 57.345 0.136 0.000 1.266 43 W CB 0.485 30.037 29.460 0.154 0.000 1.195 43 W HN 0.195 nan 8.180 nan 0.000 0.599 44 L N 3.172 124.589 121.223 0.322 0.000 2.362 44 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 44 L C -0.338 176.663 176.870 0.219 0.000 0.998 44 L CA -0.828 54.136 54.840 0.207 0.000 0.820 44 L CB 1.097 43.222 42.059 0.111 0.000 1.270 44 L HN 0.233 nan 8.230 nan 0.000 0.415 45 L N 0.989 122.328 121.223 0.193 0.000 2.256 45 L HA 0.780 5.119 4.340 -0.000 0.000 0.261 45 L C 1.051 177.973 176.870 0.086 0.000 1.022 45 L CA -0.567 54.354 54.840 0.135 0.000 0.828 45 L CB 1.555 43.681 42.059 0.111 0.000 1.374 45 L HN 0.782 nan 8.230 nan 0.000 0.436 46 G N 0.604 109.440 108.800 0.060 0.000 2.652 46 G HA2 -0.409 3.550 3.960 -0.000 0.000 0.318 46 G HA3 -0.409 3.550 3.960 -0.000 0.000 0.318 46 G C 0.762 175.686 174.900 0.041 0.000 1.295 46 G CA 1.054 46.181 45.100 0.046 0.000 0.999 46 G HN 0.816 nan 8.290 nan 0.000 0.548 47 E N 0.145 120.366 120.200 0.034 0.000 2.118 47 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 47 E C 2.523 179.140 176.600 0.029 0.000 0.992 47 E CA 2.052 58.469 56.400 0.027 0.000 0.804 47 E CB -0.171 29.542 29.700 0.022 0.000 0.741 47 E HN 0.420 nan 8.360 nan 0.000 0.458 48 K N 0.068 120.490 120.400 0.036 0.000 2.063 48 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 48 K C 2.050 178.672 176.600 0.038 0.000 1.048 48 K CA 1.227 57.535 56.287 0.035 0.000 0.928 48 K CB -0.648 31.876 32.500 0.041 0.000 0.713 48 K HN 0.245 nan 8.250 nan 0.000 0.442 49 A N 1.270 124.117 122.820 0.046 0.000 1.902 49 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 49 A C 2.330 179.927 177.584 0.021 0.000 1.181 49 A CA 1.200 53.261 52.037 0.039 0.000 0.623 49 A CB -0.562 18.465 19.000 0.046 0.000 0.818 49 A HN 0.195 nan 8.150 nan 0.000 0.443 50 L N -0.888 120.346 121.223 0.019 0.000 2.093 50 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 50 L C 2.694 179.571 176.870 0.011 0.000 1.085 50 L CA 1.633 56.479 54.840 0.010 0.000 0.755 50 L CB -0.704 41.361 42.059 0.010 0.000 0.904 50 L HN 0.339 nan 8.230 nan 0.000 0.435 51 T N -0.190 114.374 114.554 0.017 0.000 2.867 51 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 51 T C 1.961 176.673 174.700 0.020 0.000 1.057 51 T CA 1.185 63.295 62.100 0.017 0.000 1.136 51 T CB -0.100 68.779 68.868 0.018 0.000 0.874 51 T HN 0.440 nan 8.240 nan 0.000 0.466 52 A N 1.137 123.971 122.820 0.024 0.000 1.930 52 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 52 A C 2.184 179.782 177.584 0.025 0.000 1.175 52 A CA 0.975 53.032 52.037 0.032 0.000 0.627 52 A CB -0.744 18.282 19.000 0.042 0.000 0.815 52 A HN 0.394 nan 8.150 nan 0.000 0.443 53 L N 0.348 121.576 121.223 0.010 0.000 2.079 53 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 53 L C 2.324 179.198 176.870 0.007 0.000 1.081 53 L CA 2.509 57.349 54.840 -0.001 0.000 0.752 53 L CB -0.458 41.596 42.059 -0.009 0.000 0.896 53 L HN 0.629 nan 8.230 nan 0.000 0.433 54 E N -0.771 119.435 120.200 0.011 0.000 2.274 54 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 54 E C 1.591 178.202 176.600 0.017 0.000 0.996 54 E CA 0.853 57.260 56.400 0.012 0.000 0.840 54 E CB 0.061 29.768 29.700 0.011 0.000 0.772 54 E HN 0.553 nan 8.360 nan 0.000 0.491 55 A N 1.321 124.155 122.820 0.023 0.000 2.308 55 A HA 0.064 4.383 4.320 -0.000 0.000 0.217 55 A C 1.091 178.698 177.584 0.038 0.000 1.216 55 A CA 0.715 52.769 52.037 0.028 0.000 0.864 55 A CB -0.148 18.871 19.000 0.031 0.000 0.902 55 A HN 0.333 nan 8.150 nan 0.000 0.499 56 K N -2.755 117.667 120.400 0.036 0.000 3.510 56 K HA -0.198 4.122 4.320 -0.000 0.000 0.312 56 K C -0.064 176.587 176.600 0.084 0.000 1.271 56 K CA 1.922 58.235 56.287 0.043 0.000 1.002 56 K CB -2.899 29.625 32.500 0.039 0.000 1.262 56 K HN 1.723 nan 8.250 nan 0.000 0.424 57 A N -0.372 122.514 122.820 0.111 0.000 2.540 57 A HA 0.813 5.132 4.320 -0.000 0.000 0.297 57 A C -1.149 176.538 177.584 0.171 0.000 1.056 57 A CA -0.450 51.708 52.037 0.202 0.000 0.700 57 A CB 1.826 20.894 19.000 0.113 0.000 1.280 57 A HN 1.163 nan 8.150 nan 0.000 0.398 58 A N 3.539 126.516 122.820 0.262 0.000 2.536 58 A HA 0.720 5.040 4.320 -0.000 0.000 0.329 58 A C -2.341 175.229 177.584 -0.023 0.000 1.321 58 A CA -1.446 50.663 52.037 0.121 0.000 0.804 58 A CB 0.463 19.570 19.000 0.180 0.000 1.126 58 A HN 0.396 nan 8.150 nan 0.000 0.480 59 P HA -0.049 nan 4.420 nan 0.000 0.217 59 P C -0.036 177.234 177.300 -0.051 0.000 1.151 59 P CA 1.287 64.338 63.100 -0.081 0.000 0.828 59 P CB 0.323 31.995 31.700 -0.046 0.000 0.788 60 E N -0.759 119.432 120.200 -0.016 0.000 2.272 60 E HA 0.555 4.905 4.350 -0.000 0.000 0.269 60 E C -0.159 176.452 176.600 0.017 0.000 0.877 60 E CA -0.850 55.550 56.400 -0.000 0.000 0.755 60 E CB 2.061 31.760 29.700 -0.001 0.000 1.192 60 E HN -0.084 nan 8.360 nan 0.000 0.422 61 G N 0.902 109.723 108.800 0.033 0.000 2.613 61 G HA2 0.253 4.212 3.960 -0.000 0.000 0.303 61 G HA3 0.253 4.212 3.960 -0.000 0.000 0.303 61 G C 0.095 175.003 174.900 0.013 0.000 1.312 61 G CA -0.303 44.830 45.100 0.055 0.000 1.036 61 G HN 0.553 nan 8.290 nan 0.000 0.513 62 E N -1.332 118.851 120.200 -0.029 0.000 2.332 62 E HA 0.064 4.414 4.350 -0.000 0.000 0.202 62 E C -0.250 176.181 176.600 -0.283 0.000 0.877 62 E CA 0.095 56.369 56.400 -0.210 0.000 0.979 62 E CB 0.443 29.915 29.700 -0.380 0.000 0.969 62 E HN 0.385 nan 8.360 nan 0.000 0.495 63 H N 1.246 120.385 119.070 0.115 0.000 2.511 63 H HA 0.335 4.890 4.556 -0.001 0.000 0.328 63 H C -2.421 172.984 175.328 0.129 0.000 1.044 63 H CA -2.492 53.606 56.048 0.083 0.000 1.212 63 H CB 1.170 30.948 29.762 0.026 0.000 1.428 63 H HN -0.030 nan 8.280 nan 0.000 0.483 64 P HA -0.005 nan 4.420 nan 0.000 0.272 64 P C -0.014 177.366 177.300 0.135 0.000 1.223 64 P CA -0.307 62.904 63.100 0.185 0.000 0.784 64 P CB 0.531 32.301 31.700 0.116 0.000 0.923 65 F N 4.025 124.003 119.950 0.046 0.000 2.518 65 F HA 0.268 4.795 4.527 -0.000 0.000 0.359 65 F C -1.608 174.105 175.800 -0.145 0.000 1.118 65 F CA -1.373 56.563 58.000 -0.108 0.000 1.287 65 F CB -0.048 38.935 39.000 -0.028 0.000 1.132 65 F HN 0.248 nan 8.300 nan 0.000 0.587 66 P HA 0.252 nan 4.420 nan 0.000 0.285 66 P C -2.850 173.958 177.300 -0.820 0.000 1.259 66 P CA -1.469 60.660 63.100 -1.620 0.000 0.794 66 P CB 0.754 31.692 31.700 -1.270 0.000 0.940 67 P HA 0.090 nan 4.420 nan 0.000 0.266 67 P C -2.230 174.763 177.300 -0.513 0.000 1.195 67 P CA -1.213 61.426 63.100 -0.767 0.000 0.768 67 P CB -0.422 30.553 31.700 -1.208 0.000 0.838 68 P HA 0.283 nan 4.420 nan 0.000 0.225 68 P C -0.499 176.541 177.300 -0.433 0.000 1.830 68 P CA 0.057 62.911 63.100 -0.410 0.000 1.051 68 P CB 0.116 31.543 31.700 -0.455 0.000 1.929 69 L N 1.314 122.199 121.223 -0.564 0.000 2.317 69 L HA 0.279 4.619 4.340 -0.000 0.000 0.281 69 L C 0.697 177.153 176.870 -0.689 0.000 1.024 69 L CA -0.586 53.810 54.840 -0.739 0.000 0.810 69 L CB 1.594 42.852 42.059 -1.335 0.000 1.240 69 L HN 0.058 nan 8.230 nan 0.000 0.427 70 S N 2.422 117.901 115.700 -0.367 0.000 3.919 70 S HA 0.005 4.475 4.470 -0.000 0.000 0.245 70 S C 0.690 175.239 174.600 -0.084 0.000 1.344 70 S CA -0.447 57.636 58.200 -0.194 0.000 0.896 70 S CB -0.361 62.757 63.200 -0.135 0.000 1.557 70 S HN 0.552 nan 8.310 nan 0.000 0.468 71 W N 2.232 123.578 121.300 0.077 0.000 2.325 71 W HA -0.204 4.455 4.660 -0.001 0.000 0.299 71 W C 2.335 178.908 176.519 0.090 0.000 1.215 71 W CA 0.909 58.335 57.345 0.135 0.000 1.244 71 W CB -0.220 29.238 29.460 -0.004 0.000 1.140 71 W HN 0.565 nan 8.180 nan 0.000 0.523 72 E N 1.388 121.703 120.200 0.191 0.000 2.401 72 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 72 E C 1.410 177.980 176.600 -0.049 0.000 1.023 72 E CA 1.192 57.631 56.400 0.065 0.000 0.859 72 E CB -0.772 28.942 29.700 0.023 0.000 0.780 72 E HN 0.402 nan 8.360 nan 0.000 0.523 73 R N -0.461 119.923 120.500 -0.194 0.000 2.310 73 R HA 0.148 4.488 4.340 -0.000 0.000 0.202 73 R C -0.153 175.760 176.300 -0.646 0.000 0.933 73 R CA 0.152 55.980 56.100 -0.454 0.000 1.054 73 R CB 0.100 30.010 30.300 -0.649 0.000 0.985 73 R HN 0.158 nan 8.270 nan 0.000 0.489 74 Y N -0.646 119.677 120.300 0.038 0.000 2.376 74 Y HA 0.195 4.745 4.550 -0.001 0.000 0.340 74 Y C 0.723 176.643 175.900 0.033 0.000 0.965 74 Y CA -1.059 57.067 58.100 0.044 0.000 1.078 74 Y CB 1.671 40.187 38.460 0.094 0.000 1.193 74 Y HN -0.139 nan 8.280 nan 0.000 0.452 75 D N 1.308 121.789 120.400 0.135 0.000 2.137 75 D HA -0.034 4.606 4.640 -0.000 0.000 0.202 75 D C 0.061 176.398 176.300 0.061 0.000 0.970 75 D CA 1.439 55.467 54.000 0.046 0.000 0.837 75 D CB 0.618 41.393 40.800 -0.042 0.000 0.981 75 D HN 0.291 nan 8.370 nan 0.000 0.475 76 V N -1.118 118.849 119.914 0.087 0.000 2.888 76 V HA 0.503 4.622 4.120 -0.000 0.000 0.309 76 V C -0.847 175.330 176.094 0.138 0.000 1.114 76 V CA -0.856 61.494 62.300 0.084 0.000 0.940 76 V CB 2.548 34.378 31.823 0.013 0.000 1.021 76 V HN -0.232 nan 8.190 nan 0.000 0.426 77 V N 5.361 125.375 119.914 0.166 0.000 2.427 77 V HA 0.501 4.620 4.120 -0.000 0.000 0.286 77 V C -0.590 175.640 176.094 0.226 0.000 1.034 77 V CA -0.253 62.160 62.300 0.189 0.000 0.893 77 V CB 1.438 33.386 31.823 0.207 0.000 0.982 77 V HN 0.837 nan 8.190 nan 0.000 0.452 78 F N 8.514 128.491 119.950 0.044 0.000 2.307 78 F HA 0.540 5.067 4.527 -0.001 0.000 0.369 78 F C -2.223 173.575 175.800 -0.003 0.000 1.076 78 F CA -3.281 54.725 58.000 0.011 0.000 1.149 78 F CB 1.260 40.228 39.000 -0.053 0.000 1.410 78 F HN 0.319 nan 8.300 nan 0.000 0.481 79 P HA 0.172 nan 4.420 nan 0.000 0.282 79 P C -0.165 177.256 177.300 0.201 0.000 1.262 79 P CA -0.016 63.203 63.100 0.198 0.000 0.773 79 P CB 1.683 33.450 31.700 0.110 0.000 0.879 80 L N 3.554 124.814 121.223 0.061 0.000 3.141 80 L HA 0.285 4.625 4.340 -0.000 0.000 0.267 80 L C 0.340 177.027 176.870 -0.305 0.000 1.281 80 L CA -0.270 54.542 54.840 -0.046 0.000 1.037 80 L CB 0.000 42.020 42.059 -0.065 0.000 1.407 80 L HN 0.235 nan 8.230 nan 0.000 0.566 81 L N -0.087 120.992 121.223 -0.240 0.000 2.326 81 L HA 0.369 4.709 4.340 -0.000 0.000 0.278 81 L C 0.014 176.689 176.870 -0.325 0.000 1.092 81 L CA -0.482 54.202 54.840 -0.260 0.000 0.810 81 L CB 0.583 42.589 42.059 -0.088 0.000 1.153 81 L HN 0.119 nan 8.230 nan 0.000 0.439 82 H N 1.791 120.882 119.070 0.035 0.000 2.499 82 H HA 0.521 5.077 4.556 -0.000 0.000 0.340 82 H C 0.631 175.960 175.328 0.002 0.000 1.148 82 H CA 0.273 56.336 56.048 0.025 0.000 1.215 82 H CB 1.830 31.604 29.762 0.019 0.000 1.529 82 H HN 0.812 nan 8.280 nan 0.000 0.510 83 G N 2.065 110.928 108.800 0.105 0.000 2.527 83 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.268 83 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.268 83 G C 0.235 175.118 174.900 -0.028 0.000 1.175 83 G CA 0.040 45.153 45.100 0.021 0.000 0.962 83 G HN 0.749 nan 8.290 nan 0.000 0.560 84 R N 0.290 120.721 120.500 -0.115 0.000 2.537 84 R HA 0.254 4.594 4.340 -0.000 0.000 0.281 84 R C 0.539 176.734 176.300 -0.175 0.000 0.988 84 R CA 0.730 56.659 56.100 -0.285 0.000 1.077 84 R CB -0.720 29.284 30.300 -0.494 0.000 0.932 84 R HN 0.936 nan 8.270 nan 0.000 0.409 85 F N 1.737 121.667 119.950 -0.034 0.000 3.090 85 F HA -0.322 4.205 4.527 0.000 0.000 0.282 85 F C 1.062 176.835 175.800 -0.044 0.000 0.923 85 F CA 0.138 58.106 58.000 -0.055 0.000 0.977 85 F CB -1.382 37.571 39.000 -0.079 0.000 0.954 85 F HN 0.887 nan 8.300 nan 0.000 0.695 86 G N 0.540 109.410 108.800 0.116 0.000 2.675 86 G HA2 0.141 4.100 3.960 -0.000 0.000 0.202 86 G HA3 0.141 4.100 3.960 -0.000 0.000 0.202 86 G C 0.632 175.555 174.900 0.039 0.000 1.252 86 G CA 0.354 45.484 45.100 0.050 0.000 0.627 86 G HN 0.431 nan 8.290 nan 0.000 0.921 87 E N 1.058 121.283 120.200 0.042 0.000 2.734 87 E HA 0.164 4.514 4.350 -0.000 0.000 0.211 87 E C 0.028 176.649 176.600 0.035 0.000 0.991 87 E CA 0.176 56.601 56.400 0.042 0.000 1.065 87 E CB 0.553 30.285 29.700 0.053 0.000 1.047 87 E HN 0.412 nan 8.360 nan 0.000 0.470 88 D N 0.375 120.800 120.400 0.041 0.000 2.339 88 D HA 0.103 4.742 4.640 -0.000 0.000 0.217 88 D C 1.402 177.729 176.300 0.044 0.000 1.050 88 D CA 0.532 54.554 54.000 0.036 0.000 0.856 88 D CB 0.471 41.290 40.800 0.032 0.000 0.922 88 D HN 0.302 nan 8.370 nan 0.000 0.518 89 G N 0.081 108.908 108.800 0.045 0.000 2.213 89 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.236 89 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.236 89 G C 1.262 176.182 174.900 0.032 0.000 0.991 89 G CA 0.824 45.946 45.100 0.037 0.000 0.629 89 G HN 0.534 nan 8.290 nan 0.000 0.517 90 T N -0.997 113.591 114.554 0.056 0.000 2.770 90 T HA 0.039 4.389 4.350 -0.000 0.000 0.263 90 T C 2.277 176.983 174.700 0.010 0.000 1.039 90 T CA 2.218 64.337 62.100 0.032 0.000 1.142 90 T CB -0.517 68.389 68.868 0.064 0.000 0.868 90 T HN 0.597 nan 8.240 nan 0.000 0.435 91 V N 1.993 121.922 119.914 0.024 0.000 2.427 91 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 91 V C 2.905 178.963 176.094 -0.060 0.000 1.051 91 V CA 1.778 64.114 62.300 0.059 0.000 1.048 91 V CB -1.028 30.842 31.823 0.078 0.000 0.666 91 V HN 0.383 nan 8.190 nan 0.000 0.456 92 Q N 0.841 120.544 119.800 -0.162 0.000 2.124 92 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 92 Q C 2.375 178.245 176.000 -0.217 0.000 0.977 92 Q CA 1.822 57.391 55.803 -0.390 0.000 0.850 92 Q CB -0.986 27.662 28.738 -0.149 0.000 0.901 92 Q HN 0.644 nan 8.270 nan 0.000 0.429 93 G N -0.585 108.185 108.800 -0.051 0.000 2.408 93 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 93 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 93 G C 1.267 176.190 174.900 0.038 0.000 1.150 93 G CA 0.378 45.481 45.100 0.005 0.000 0.776 93 G HN 0.406 nan 8.290 nan 0.000 0.542 94 F N 0.881 120.760 119.950 -0.118 0.000 2.113 94 F HA 0.020 4.547 4.527 -0.001 0.000 0.297 94 F C 2.462 178.128 175.800 -0.223 0.000 1.103 94 F CA 0.811 58.747 58.000 -0.107 0.000 1.248 94 F CB 0.028 39.026 39.000 -0.003 0.000 0.999 94 F HN 0.023 nan 8.300 nan 0.000 0.475 95 L N 0.191 121.170 121.223 -0.407 0.000 2.083 95 L HA -0.206 4.133 4.340 -0.000 0.000 0.209 95 L C 2.454 179.131 176.870 -0.322 0.000 1.083 95 L CA 1.069 55.580 54.840 -0.549 0.000 0.752 95 L CB -0.748 40.954 42.059 -0.594 0.000 0.899 95 L HN 0.190 nan 8.230 nan 0.000 0.433 96 E N 0.049 120.148 120.200 -0.168 0.000 2.051 96 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 96 E C 2.305 178.836 176.600 -0.115 0.000 0.991 96 E CA 0.950 57.324 56.400 -0.044 0.000 0.799 96 E CB -0.189 29.522 29.700 0.019 0.000 0.748 96 E HN 0.296 nan 8.360 nan 0.000 0.449 97 L N 0.653 121.789 121.223 -0.146 0.000 2.079 97 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 97 L C 2.427 179.152 176.870 -0.242 0.000 1.081 97 L CA 1.317 56.072 54.840 -0.142 0.000 0.752 97 L CB -1.144 40.873 42.059 -0.069 0.000 0.896 97 L HN 0.147 nan 8.230 nan 0.000 0.433 98 L N -0.664 120.291 121.223 -0.446 0.000 2.552 98 L HA 0.042 4.381 4.340 -0.000 0.000 0.227 98 L C 1.350 178.042 176.870 -0.297 0.000 1.146 98 L CA 0.565 55.099 54.840 -0.510 0.000 0.858 98 L CB -0.602 40.871 42.059 -0.976 0.000 0.969 98 L HN 0.530 nan 8.230 nan 0.000 0.451 99 G N 0.506 109.183 108.800 -0.206 0.000 2.221 99 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.265 99 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.265 99 G C -0.010 174.838 174.900 -0.087 0.000 1.041 99 G CA -0.004 45.030 45.100 -0.110 0.000 0.807 99 G HN 0.163 nan 8.290 nan 0.000 0.502 100 K N 0.288 120.624 120.400 -0.107 0.000 2.185 100 K HA 0.503 4.822 4.320 -0.000 0.000 0.269 100 K C -2.468 174.188 176.600 0.093 0.000 0.987 100 K CA -2.257 54.012 56.287 -0.030 0.000 0.865 100 K CB 1.810 34.253 32.500 -0.095 0.000 1.090 100 K HN 0.050 nan 8.250 nan 0.000 0.450 101 P HA 0.175 nan 4.420 nan 0.000 0.275 101 P C -1.151 176.211 177.300 0.103 0.000 1.227 101 P CA -0.091 63.018 63.100 0.015 0.000 0.781 101 P CB 0.281 31.959 31.700 -0.035 0.000 0.906 102 Y N -0.752 119.511 120.300 -0.061 0.000 2.588 102 Y HA 0.638 5.187 4.550 -0.000 0.000 0.343 102 Y C -0.929 174.897 175.900 -0.124 0.000 1.065 102 Y CA -1.736 56.323 58.100 -0.069 0.000 1.038 102 Y CB 0.250 38.681 38.460 -0.049 0.000 1.297 102 Y HN -0.001 nan 8.280 nan 0.000 0.467 103 V N 2.713 122.571 119.914 -0.093 0.000 2.811 103 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 103 V C 0.877 176.870 176.094 -0.169 0.000 1.063 103 V CA 0.905 63.011 62.300 -0.323 0.000 1.088 103 V CB 0.306 31.594 31.823 -0.891 0.000 0.982 103 V HN 1.492 nan 8.190 nan 0.000 0.485 104 G N 2.933 111.624 108.800 -0.181 0.000 2.698 104 G HA2 0.216 4.176 3.960 -0.000 0.000 0.225 104 G HA3 0.216 4.176 3.960 -0.000 0.000 0.225 104 G C 0.009 174.885 174.900 -0.040 0.000 1.345 104 G CA -0.278 44.785 45.100 -0.062 0.000 0.871 104 G HN 1.673 nan 8.290 nan 0.000 0.540 105 A N -0.056 122.766 122.820 0.004 0.000 2.483 105 A HA 0.665 4.985 4.320 -0.000 0.000 0.238 105 A C 1.487 179.126 177.584 0.092 0.000 1.070 105 A CA 1.526 53.556 52.037 -0.010 0.000 0.770 105 A CB -0.002 18.982 19.000 -0.026 0.000 1.008 105 A HN 2.457 nan 8.150 nan 0.000 0.497 106 G N -0.362 108.462 108.800 0.040 0.000 2.516 106 G HA2 0.359 4.319 3.960 -0.000 0.000 0.276 106 G HA3 0.359 4.319 3.960 -0.000 0.000 0.276 106 G C 1.047 176.015 174.900 0.113 0.000 1.390 106 G CA 0.166 45.344 45.100 0.130 0.000 1.050 106 G HN 0.702 nan 8.290 nan 0.000 0.519 107 V N 0.809 120.785 119.914 0.103 0.000 2.261 107 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 107 V C 3.289 179.402 176.094 0.030 0.000 1.047 107 V CA 2.584 64.919 62.300 0.059 0.000 1.015 107 V CB -1.158 30.695 31.823 0.049 0.000 0.642 107 V HN 0.791 nan 8.190 nan 0.000 0.446 108 A N 0.094 122.925 122.820 0.018 0.000 1.858 108 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 108 A C 2.446 180.022 177.584 -0.012 0.000 1.190 108 A CA 2.251 54.289 52.037 0.002 0.000 0.617 108 A CB -1.024 17.974 19.000 -0.004 0.000 0.827 108 A HN 0.578 nan 8.150 nan 0.000 0.443 109 A N -0.511 122.293 122.820 -0.027 0.000 1.908 109 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 109 A C 2.451 180.013 177.584 -0.037 0.000 1.181 109 A CA 2.266 54.271 52.037 -0.054 0.000 0.627 109 A CB -0.886 18.057 19.000 -0.094 0.000 0.818 109 A HN 0.481 nan 8.150 nan 0.000 0.445 110 S N -0.123 115.572 115.700 -0.009 0.000 2.355 110 S HA 0.003 4.473 4.470 -0.000 0.000 0.222 110 S C 2.330 176.931 174.600 0.003 0.000 1.031 110 S CA 1.154 59.357 58.200 0.005 0.000 0.993 110 S CB -0.514 62.705 63.200 0.032 0.000 0.859 110 S HN 0.810 nan 8.310 nan 0.000 0.453 111 A N 1.246 124.070 122.820 0.008 0.000 1.930 111 A HA -0.003 4.316 4.320 -0.000 0.000 0.217 111 A C 2.115 179.696 177.584 -0.004 0.000 1.175 111 A CA 1.192 53.234 52.037 0.008 0.000 0.627 111 A CB -0.613 18.396 19.000 0.015 0.000 0.815 111 A HN 0.399 nan 8.150 nan 0.000 0.443 112 L N -0.133 121.082 121.223 -0.013 0.000 2.056 112 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 112 L C 1.483 178.329 176.870 -0.039 0.000 1.078 112 L CA 0.995 55.821 54.840 -0.023 0.000 0.749 112 L CB -0.794 41.247 42.059 -0.029 0.000 0.901 112 L HN 0.427 nan 8.230 nan 0.000 0.433 116 K N 1.435 121.800 120.400 -0.059 0.000 2.160 116 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 116 K C 1.153 177.644 176.600 -0.182 0.000 1.047 116 K CA 1.623 57.839 56.287 -0.119 0.000 0.930 116 K CB 0.234 32.687 32.500 -0.078 0.000 0.720 116 K HN 0.332 nan 8.250 nan 0.000 0.450 117 D N 0.774 121.144 120.400 -0.050 0.000 2.146 117 D HA -0.050 4.590 4.640 -0.000 0.000 0.209 117 D C 1.851 178.169 176.300 0.030 0.000 0.973 117 D CA 0.721 54.749 54.000 0.046 0.000 0.860 117 D CB 0.050 40.975 40.800 0.208 0.000 1.015 117 D HN -0.006 nan 8.370 nan 0.000 0.465 118 L N 0.580 121.822 121.223 0.032 0.000 2.042 118 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 118 L C 2.603 179.459 176.870 -0.023 0.000 1.076 118 L CA 1.486 56.344 54.840 0.030 0.000 0.749 118 L CB -0.753 41.321 42.059 0.025 0.000 0.893 118 L HN 0.188 nan 8.230 nan 0.000 0.432 119 S N -0.529 115.122 115.700 -0.082 0.000 2.402 119 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 119 S C 1.894 176.395 174.600 -0.164 0.000 1.021 119 S CA 0.722 58.856 58.200 -0.109 0.000 0.974 119 S CB -0.226 62.899 63.200 -0.124 0.000 0.800 119 S HN 0.383 nan 8.310 nan 0.000 0.484 120 K N 1.004 121.219 120.400 -0.308 0.000 2.155 120 K HA 0.103 4.423 4.320 -0.000 0.000 0.203 120 K C 2.576 179.057 176.600 -0.199 0.000 1.052 120 K CA 0.749 56.732 56.287 -0.506 0.000 0.948 120 K CB -0.135 31.542 32.500 -1.372 0.000 0.728 120 K HN 0.339 nan 8.250 nan 0.000 0.448 121 R N 0.468 120.990 120.500 0.037 0.000 2.081 121 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 121 R C 2.286 178.668 176.300 0.136 0.000 1.131 121 R CA 1.183 57.441 56.100 0.263 0.000 0.960 121 R CB -0.392 30.058 30.300 0.248 0.000 0.856 121 R HN -0.006 nan 8.270 nan 0.000 0.436 122 V N 1.417 121.364 119.914 0.055 0.000 2.358 122 V HA -0.203 3.916 4.120 -0.000 0.000 0.246 122 V C 2.272 178.382 176.094 0.026 0.000 1.047 122 V CA 1.552 63.871 62.300 0.032 0.000 1.035 122 V CB -0.338 31.485 31.823 0.001 0.000 0.658 122 V HN 0.278 nan 8.190 nan 0.000 0.452 123 L N -0.086 121.136 121.223 -0.001 0.000 2.056 123 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 123 L C 2.735 179.635 176.870 0.050 0.000 1.078 123 L CA 1.475 56.315 54.840 0.000 0.000 0.749 123 L CB -0.797 41.231 42.059 -0.052 0.000 0.901 123 L HN 0.351 nan 8.230 nan 0.000 0.433 124 A N -0.690 122.189 122.820 0.098 0.000 1.877 124 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 124 A C 2.268 179.927 177.584 0.124 0.000 1.186 124 A CA 1.549 53.685 52.037 0.166 0.000 0.620 124 A CB -0.597 18.598 19.000 0.326 0.000 0.822 124 A HN 0.397 nan 8.150 nan 0.000 0.443 125 Q N -0.222 119.645 119.800 0.112 0.000 2.291 125 Q HA -0.069 4.270 4.340 -0.000 0.000 0.206 125 Q C 1.699 177.735 176.000 0.061 0.000 0.976 125 Q CA 1.403 57.256 55.803 0.082 0.000 0.875 125 Q CB -0.293 28.490 28.738 0.075 0.000 0.927 125 Q HN 0.582 nan 8.270 nan 0.000 0.450 126 A N -1.113 121.740 122.820 0.054 0.000 2.345 126 A HA 0.396 4.716 4.320 -0.000 0.000 0.225 126 A C 1.256 178.868 177.584 0.047 0.000 1.243 126 A CA 0.741 52.803 52.037 0.043 0.000 0.875 126 A CB -0.055 18.963 19.000 0.030 0.000 0.929 126 A HN 0.432 nan 8.150 nan 0.000 0.502 127 G N -1.173 107.661 108.800 0.058 0.000 2.136 127 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.242 127 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.242 127 G C 0.087 175.021 174.900 0.058 0.000 0.989 127 G CA 0.184 45.318 45.100 0.057 0.000 0.682 127 G HN 0.749 nan 8.290 nan 0.000 0.522 128 V N 2.944 122.895 119.914 0.061 0.000 2.432 128 V HA 0.443 4.562 4.120 -0.000 0.000 0.275 128 V C -1.170 174.969 176.094 0.075 0.000 1.043 128 V CA -1.379 60.959 62.300 0.063 0.000 0.925 128 V CB 1.529 33.381 31.823 0.047 0.000 0.985 128 V HN 0.267 nan 8.190 nan 0.000 0.466 129 P HA 0.256 nan 4.420 nan 0.000 0.271 129 P C -0.777 176.606 177.300 0.139 0.000 1.220 129 P CA 0.207 63.356 63.100 0.081 0.000 0.768 129 P CB 1.307 32.988 31.700 -0.032 0.000 0.848 130 V N 1.204 121.256 119.914 0.229 0.000 3.130 130 V HA 0.470 4.590 4.120 -0.000 0.000 0.310 130 V C -0.059 176.277 176.094 0.403 0.000 1.158 130 V CA -1.232 61.213 62.300 0.240 0.000 1.029 130 V CB 1.642 33.484 31.823 0.032 0.000 1.057 130 V HN 0.215 nan 8.190 nan 0.000 0.436 131 V N 2.119 122.205 119.914 0.286 0.000 2.673 131 V HA 0.211 4.330 4.120 -0.000 0.000 0.303 131 V C -1.958 174.284 176.094 0.247 0.000 1.046 131 V CA -0.701 61.680 62.300 0.135 0.000 1.126 131 V CB 0.140 31.997 31.823 0.056 0.000 0.934 131 V HN 0.888 nan 8.190 nan 0.000 0.487 132 P HA 0.129 nan 4.420 nan 0.000 0.265 132 P C -0.720 176.704 177.300 0.207 0.000 1.187 132 P CA 0.337 63.512 63.100 0.124 0.000 0.766 132 P CB 0.309 31.896 31.700 -0.189 0.000 0.820 133 W N 1.387 122.792 121.300 0.175 0.000 2.895 133 W HA 0.686 5.345 4.660 -0.000 0.000 0.377 133 W C -2.549 174.144 176.519 0.290 0.000 1.191 133 W CA -0.653 56.873 57.345 0.303 0.000 1.179 133 W CB 0.543 30.091 29.460 0.146 0.000 1.469 133 W HN 0.198 nan 8.180 nan 0.000 0.577 134 V N 1.284 121.149 119.914 -0.081 0.000 3.147 134 V HA 0.795 4.914 4.120 -0.000 0.000 0.299 134 V C -0.688 175.468 176.094 0.103 0.000 1.302 134 V CA -0.603 61.546 62.300 -0.252 0.000 1.015 134 V CB 1.521 33.203 31.823 -0.234 0.000 1.086 134 V HN 1.123 nan 8.190 nan 0.000 0.437 135 A N 2.216 125.091 122.820 0.092 0.000 2.324 135 A HA 0.930 5.250 4.320 -0.000 0.000 0.330 135 A C -1.045 176.607 177.584 0.115 0.000 1.165 135 A CA -0.535 51.609 52.037 0.178 0.000 0.813 135 A CB 1.509 20.635 19.000 0.210 0.000 1.197 135 A HN 0.869 nan 8.150 nan 0.000 0.484 136 V N 2.657 122.672 119.914 0.168 0.000 2.638 136 V HA 0.530 4.650 4.120 -0.000 0.000 0.306 136 V C -0.194 176.097 176.094 0.328 0.000 1.052 136 V CA -0.644 61.782 62.300 0.210 0.000 0.885 136 V CB 1.851 33.807 31.823 0.221 0.000 0.999 136 V HN 0.991 nan 8.190 nan 0.000 0.424 137 R N 2.062 122.663 120.500 0.169 0.000 2.637 137 R HA 0.482 4.821 4.340 -0.000 0.000 0.291 137 R C -0.377 175.697 176.300 -0.377 0.000 0.963 137 R CA -0.989 55.069 56.100 -0.071 0.000 0.901 137 R CB 2.179 32.439 30.300 -0.067 0.000 1.160 137 R HN 0.702 nan 8.270 nan 0.000 0.457 138 K N 1.042 120.765 120.400 -1.128 0.000 2.504 138 K HA -0.075 4.244 4.320 -0.000 0.000 0.278 138 K C 0.666 177.058 176.600 -0.346 0.000 1.025 138 K CA 1.607 57.292 56.287 -1.003 0.000 1.093 138 K CB 0.053 31.991 32.500 -0.936 0.000 0.873 138 K HN 0.802 nan 8.250 nan 0.000 0.483 139 G N 3.192 111.899 108.800 -0.156 0.000 2.313 139 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.215 139 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.215 139 G C -0.365 174.519 174.900 -0.026 0.000 1.023 139 G CA -0.129 44.927 45.100 -0.073 0.000 0.626 139 G HN 0.656 nan 8.290 nan 0.000 0.503 140 E N 2.299 122.488 120.200 -0.018 0.000 2.223 140 E HA 0.386 4.736 4.350 -0.000 0.000 0.282 140 E C -2.411 174.216 176.600 0.044 0.000 1.046 140 E CA -1.618 54.789 56.400 0.012 0.000 0.857 140 E CB 1.073 30.782 29.700 0.016 0.000 1.055 140 E HN 0.143 nan 8.360 nan 0.000 0.409 141 P HA 0.060 nan 4.420 nan 0.000 0.266 141 P C -2.453 174.860 177.300 0.023 0.000 1.215 141 P CA -0.866 62.249 63.100 0.026 0.000 0.763 141 P CB -0.073 31.630 31.700 0.004 0.000 0.806 142 P HA 0.029 nan 4.420 nan 0.000 0.266 142 P C -0.716 176.567 177.300 -0.029 0.000 1.215 142 P CA 0.256 63.365 63.100 0.016 0.000 0.763 142 P CB 0.434 32.159 31.700 0.041 0.000 0.806 143 V N 5.985 125.858 119.914 -0.069 0.000 2.340 143 V HA 0.263 4.383 4.120 -0.000 0.000 0.277 143 V C -0.770 175.217 176.094 -0.179 0.000 1.017 143 V CA -0.645 61.591 62.300 -0.105 0.000 0.820 143 V CB 1.239 33.008 31.823 -0.091 0.000 1.028 143 V HN 0.147 nan 8.190 nan 0.000 0.436 144 V N 9.720 129.510 119.914 -0.207 0.000 2.347 144 V HA 0.438 4.557 4.120 -0.000 0.000 0.280 144 V C -0.836 175.044 176.094 -0.357 0.000 1.021 144 V CA -0.976 61.069 62.300 -0.425 0.000 0.847 144 V CB 1.537 33.051 31.823 -0.514 0.000 0.990 144 V HN 0.821 nan 8.190 nan 0.000 0.444 145 P HA -0.010 nan 4.420 nan 0.000 0.230 145 P C 0.041 177.339 177.300 -0.004 0.000 1.158 145 P CA 0.755 63.762 63.100 -0.156 0.000 0.769 145 P CB 0.086 31.737 31.700 -0.081 0.000 0.807 146 F N -1.288 118.719 119.950 0.094 0.000 2.598 146 F HA 0.698 5.224 4.527 -0.001 0.000 0.327 146 F C -0.150 175.812 175.800 0.271 0.000 1.057 146 F CA -1.767 56.315 58.000 0.137 0.000 0.957 146 F CB 0.376 39.428 39.000 0.086 0.000 1.278 146 F HN -0.402 nan 8.300 nan 0.000 0.484 147 D N 1.131 121.814 120.400 0.472 0.000 2.253 147 D HA 0.397 5.036 4.640 -0.000 0.000 0.249 147 D C -2.361 174.061 176.300 0.203 0.000 1.049 147 D CA -1.390 52.809 54.000 0.331 0.000 0.929 147 D CB 1.362 42.299 40.800 0.229 0.000 1.176 147 D HN 0.258 nan 8.370 nan 0.000 0.437 148 P HA 0.116 nan 4.420 nan 0.000 0.271 148 P C -2.335 174.798 177.300 -0.277 0.000 1.238 148 P CA -0.640 62.117 63.100 -0.570 0.000 0.794 148 P CB -0.169 31.012 31.700 -0.866 0.000 0.959 149 P HA 0.332 nan 4.420 nan 0.000 0.279 149 P C -1.266 175.774 177.300 -0.434 0.000 1.252 149 P CA 0.066 62.845 63.100 -0.535 0.000 0.811 149 P CB 0.535 31.980 31.700 -0.424 0.000 1.035 150 F N -1.577 118.166 119.950 -0.345 0.000 2.713 150 F HA 0.609 5.136 4.527 -0.000 0.000 0.311 150 F C -1.567 174.008 175.800 -0.375 0.000 1.141 150 F CA -1.965 55.851 58.000 -0.306 0.000 0.939 150 F CB 0.280 39.327 39.000 0.078 0.000 1.325 150 F HN -0.012 nan 8.300 nan 0.000 0.453 151 F N 1.235 121.387 119.950 0.336 0.000 2.399 151 F HA 0.728 5.255 4.527 -0.000 0.000 0.334 151 F C -0.047 175.882 175.800 0.216 0.000 1.097 151 F CA -1.181 56.942 58.000 0.205 0.000 1.076 151 F CB 1.832 40.892 39.000 0.100 0.000 1.162 151 F HN 0.341 nan 8.300 nan 0.000 0.495 152 V N 3.382 123.507 119.914 0.352 0.000 2.555 152 V HA 0.633 4.753 4.120 -0.000 0.000 0.302 152 V C -0.624 175.556 176.094 0.143 0.000 1.038 152 V CA -0.986 61.429 62.300 0.192 0.000 0.887 152 V CB 1.824 33.722 31.823 0.126 0.000 0.991 152 V HN 0.804 nan 8.190 nan 0.000 0.434 153 K N 3.993 124.450 120.400 0.095 0.000 2.587 153 K HA 0.523 4.843 4.320 -0.000 0.000 0.276 153 K C -3.376 173.269 176.600 0.075 0.000 0.956 153 K CA -1.775 54.557 56.287 0.075 0.000 0.857 153 K CB 2.239 34.775 32.500 0.059 0.000 1.431 153 K HN 0.322 nan 8.250 nan 0.000 0.420 154 P HA -0.086 nan 4.420 nan 0.000 0.266 154 P C 0.487 177.840 177.300 0.087 0.000 1.195 154 P CA 0.262 63.436 63.100 0.123 0.000 0.768 154 P CB 0.940 32.728 31.700 0.145 0.000 0.838 155 A N 3.861 126.746 122.820 0.108 0.000 1.978 155 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 155 A C 1.165 178.770 177.584 0.035 0.000 1.170 155 A CA 1.009 53.093 52.037 0.079 0.000 0.636 155 A CB -1.158 17.901 19.000 0.099 0.000 0.810 155 A HN 0.784 nan 8.150 nan 0.000 0.448 156 N N 1.430 120.148 118.700 0.030 0.000 2.438 156 N HA 0.022 4.761 4.740 -0.000 0.000 0.267 156 N C -0.328 175.168 175.510 -0.023 0.000 1.222 156 N CA 0.573 53.623 53.050 -0.001 0.000 0.930 156 N CB 0.084 38.566 38.487 -0.008 0.000 1.083 156 N HN 0.189 nan 8.380 nan 0.000 0.476 157 T N 1.966 116.499 114.554 -0.034 0.000 2.649 157 T HA 0.234 4.584 4.350 -0.000 0.000 0.337 157 T C 1.590 176.259 174.700 -0.053 0.000 1.070 157 T CA 1.009 63.078 62.100 -0.052 0.000 1.052 157 T CB -0.128 68.705 68.868 -0.059 0.000 0.994 157 T HN 0.805 nan 8.240 nan 0.000 0.544 158 G N 0.719 109.481 108.800 -0.063 0.000 4.236 158 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.222 158 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.222 158 G C 0.713 175.567 174.900 -0.077 0.000 1.354 158 G CA 0.802 45.863 45.100 -0.064 0.000 0.966 158 G HN 1.368 nan 8.290 nan 0.000 0.624 159 S N 1.073 116.726 115.700 -0.078 0.000 3.551 159 S HA 0.150 4.619 4.470 -0.000 0.000 0.425 159 S C 1.671 176.200 174.600 -0.118 0.000 1.149 159 S CA 1.565 59.702 58.200 -0.105 0.000 0.912 159 S CB 0.221 63.362 63.200 -0.097 0.000 0.641 159 S HN 2.048 nan 8.310 nan 0.000 0.481 160 S N 3.810 119.426 115.700 -0.140 0.000 2.506 160 S HA 0.202 4.671 4.470 -0.000 0.000 0.219 160 S C 0.587 175.091 174.600 -0.159 0.000 1.031 160 S CA 0.200 58.320 58.200 -0.133 0.000 0.911 160 S CB 0.188 63.320 63.200 -0.114 0.000 0.812 160 S HN 0.709 nan 8.310 nan 0.000 0.497 161 V N 1.628 121.394 119.914 -0.247 0.000 2.743 161 V HA 0.642 4.762 4.120 -0.000 0.000 0.301 161 V C 1.163 177.014 176.094 -0.404 0.000 1.057 161 V CA 0.910 63.007 62.300 -0.340 0.000 1.006 161 V CB 0.595 32.110 31.823 -0.514 0.000 1.024 161 V HN 0.932 nan 8.190 nan 0.000 0.473 162 G N 5.013 113.725 108.800 -0.146 0.000 2.157 162 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 162 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 162 G C -0.022 174.948 174.900 0.117 0.000 0.979 162 G CA 0.234 45.461 45.100 0.212 0.000 0.650 162 G HN 0.752 nan 8.290 nan 0.000 0.529 163 I N 1.506 122.099 120.570 0.038 0.000 2.396 163 I HA 0.548 4.718 4.170 -0.000 0.000 0.292 163 I C 0.227 176.397 176.117 0.088 0.000 0.999 163 I CA -0.329 61.002 61.300 0.052 0.000 1.310 163 I CB 1.722 39.715 38.000 -0.012 0.000 1.404 163 I HN 0.092 nan 8.210 nan 0.000 0.496 164 S N 5.278 121.064 115.700 0.144 0.000 2.549 164 S HA 0.470 4.939 4.470 -0.000 0.000 0.280 164 S C -0.594 174.142 174.600 0.227 0.000 1.109 164 S CA -0.814 57.472 58.200 0.144 0.000 0.905 164 S CB 2.346 65.598 63.200 0.087 0.000 1.081 164 S HN 0.556 nan 8.310 nan 0.000 0.477 165 R N 2.432 123.024 120.500 0.154 0.000 2.278 165 R HA 0.456 4.796 4.340 -0.000 0.000 0.322 165 R C -0.451 175.768 176.300 -0.134 0.000 1.058 165 R CA -0.409 55.691 56.100 -0.002 0.000 0.991 165 R CB 0.288 30.585 30.300 -0.005 0.000 1.140 165 R HN 0.595 nan 8.270 nan 0.000 0.518 166 V N 1.895 121.691 119.914 -0.197 0.000 2.583 166 V HA 0.258 4.377 4.120 -0.000 0.000 0.287 166 V C 0.463 176.265 176.094 -0.487 0.000 1.051 166 V CA -0.164 61.967 62.300 -0.282 0.000 1.010 166 V CB 1.780 33.471 31.823 -0.221 0.000 0.988 166 V HN 0.791 nan 8.190 nan 0.000 0.478 167 E N 3.347 123.335 120.200 -0.353 0.000 2.307 167 E HA 0.259 4.608 4.350 -0.000 0.000 0.195 167 E C 0.429 176.813 176.600 -0.360 0.000 0.975 167 E CA 0.466 56.658 56.400 -0.347 0.000 0.878 167 E CB 0.372 29.946 29.700 -0.210 0.000 0.845 167 E HN 0.857 nan 8.360 nan 0.000 0.488 168 R N -1.620 118.697 120.500 -0.305 0.000 2.795 168 R HA 0.354 4.694 4.340 -0.000 0.000 0.275 168 R C 0.030 176.220 176.300 -0.182 0.000 0.981 168 R CA -0.504 55.466 56.100 -0.218 0.000 0.917 168 R CB 0.288 30.544 30.300 -0.074 0.000 1.202 168 R HN -0.067 nan 8.270 nan 0.000 0.469 169 F N 1.248 121.169 119.950 -0.048 0.000 2.250 169 F HA -0.239 4.287 4.527 -0.001 0.000 0.301 169 F C 2.196 178.012 175.800 0.027 0.000 1.077 169 F CA 1.539 59.559 58.000 0.033 0.000 1.348 169 F CB 0.180 39.207 39.000 0.045 0.000 1.040 169 F HN 0.565 nan 8.300 nan 0.000 0.509 170 Q N -0.637 119.262 119.800 0.166 0.000 2.369 170 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 170 Q C 0.790 176.827 176.000 0.062 0.000 0.963 170 Q CA 1.322 57.185 55.803 0.100 0.000 0.894 170 Q CB -0.276 28.500 28.738 0.062 0.000 0.965 170 Q HN 0.323 nan 8.270 nan 0.000 0.475 171 D N 0.756 121.174 120.400 0.032 0.000 2.333 171 D HA -0.026 4.614 4.640 -0.000 0.000 0.208 171 D C 1.756 178.078 176.300 0.037 0.000 0.984 171 D CA 0.122 54.127 54.000 0.008 0.000 0.873 171 D CB 0.178 40.951 40.800 -0.045 0.000 0.935 171 D HN 0.170 nan 8.370 nan 0.000 0.521 172 L N 1.776 123.052 121.223 0.088 0.000 1.971 172 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 172 L C 2.201 179.119 176.870 0.080 0.000 1.072 172 L CA 1.935 56.860 54.840 0.141 0.000 0.758 172 L CB -0.545 41.665 42.059 0.251 0.000 0.889 172 L HN -0.056 nan 8.230 nan 0.000 0.433 173 E N -0.911 119.336 120.200 0.078 0.000 2.130 173 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 173 E C 2.012 178.629 176.600 0.028 0.000 0.998 173 E CA 1.247 57.680 56.400 0.056 0.000 0.806 173 E CB -0.187 29.550 29.700 0.062 0.000 0.738 173 E HN 0.645 nan 8.360 nan 0.000 0.459 174 A N 1.306 124.142 122.820 0.026 0.000 1.845 174 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 174 A C 2.492 180.072 177.584 -0.007 0.000 1.195 174 A CA 2.100 54.144 52.037 0.013 0.000 0.616 174 A CB -1.187 17.821 19.000 0.013 0.000 0.832 174 A HN 0.436 nan 8.150 nan 0.000 0.443 175 A N -0.798 122.021 122.820 -0.002 0.000 1.892 175 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 175 A C 2.097 179.623 177.584 -0.096 0.000 1.188 175 A CA 1.973 54.003 52.037 -0.011 0.000 0.631 175 A CB -0.702 18.318 19.000 0.034 0.000 0.822 175 A HN 0.427 nan 8.150 nan 0.000 0.447 176 L N -0.460 120.664 121.223 -0.164 0.000 2.012 176 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 176 L C 3.050 179.634 176.870 -0.476 0.000 1.073 176 L CA 2.047 56.604 54.840 -0.472 0.000 0.748 176 L CB -0.941 40.881 42.059 -0.395 0.000 0.891 176 L HN 0.407 nan 8.230 nan 0.000 0.431 177 A N -0.903 121.838 122.820 -0.132 0.000 1.948 177 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 177 A C 2.268 179.833 177.584 -0.032 0.000 1.177 177 A CA 2.113 54.158 52.037 0.013 0.000 0.636 177 A CB -0.903 18.118 19.000 0.035 0.000 0.815 177 A HN 0.376 nan 8.150 nan 0.000 0.449 178 L N -0.381 120.803 121.223 -0.065 0.000 2.005 178 L HA -0.009 4.330 4.340 -0.000 0.000 0.207 178 L C 2.693 179.530 176.870 -0.054 0.000 1.072 178 L CA 2.343 57.154 54.840 -0.047 0.000 0.744 178 L CB -0.948 41.119 42.059 0.013 0.000 0.895 178 L HN 0.324 nan 8.230 nan 0.000 0.433 179 A N -0.683 122.095 122.820 -0.069 0.000 1.908 179 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 179 A C 1.956 179.578 177.584 0.062 0.000 1.181 179 A CA 1.910 53.948 52.037 0.002 0.000 0.627 179 A CB -1.166 17.739 19.000 -0.158 0.000 0.818 179 A HN 0.495 nan 8.150 nan 0.000 0.445 180 F N 0.254 120.209 119.950 0.007 0.000 2.722 180 F HA 0.015 4.541 4.527 -0.000 0.000 0.298 180 F C 2.224 177.958 175.800 -0.111 0.000 1.175 180 F CA 0.249 58.235 58.000 -0.023 0.000 1.462 180 F CB -0.566 38.425 39.000 -0.015 0.000 1.111 180 F HN 0.228 nan 8.300 nan 0.000 0.592 181 R N -1.262 119.166 120.500 -0.119 0.000 2.115 181 R HA -0.119 4.221 4.340 -0.000 0.000 0.226 181 R C 1.406 177.464 176.300 -0.404 0.000 1.100 181 R CA 1.382 57.255 56.100 -0.377 0.000 0.980 181 R CB -0.318 29.538 30.300 -0.740 0.000 0.875 181 R HN 0.309 nan 8.270 nan 0.000 0.445 182 Y N -0.783 119.562 120.300 0.076 0.000 2.479 182 Y HA 0.228 4.777 4.550 -0.001 0.000 0.283 182 Y C 0.666 176.600 175.900 0.057 0.000 1.109 182 Y CA -0.279 57.849 58.100 0.048 0.000 1.239 182 Y CB 0.484 38.961 38.460 0.027 0.000 1.108 182 Y HN -0.133 nan 8.280 nan 0.000 0.548 183 D N -0.298 120.246 120.400 0.240 0.000 2.879 183 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 183 D C -0.040 176.393 176.300 0.222 0.000 1.171 183 D CA -0.157 53.958 54.000 0.191 0.000 0.868 183 D CB 2.263 43.175 40.800 0.187 0.000 1.598 183 D HN -0.076 nan 8.370 nan 0.000 0.497 184 E N 1.359 121.618 120.200 0.098 0.000 2.347 184 E HA -0.031 4.318 4.350 -0.000 0.000 0.196 184 E C -0.014 176.580 176.600 -0.009 0.000 1.008 184 E CA 0.796 57.174 56.400 -0.036 0.000 0.852 184 E CB 0.173 29.827 29.700 -0.076 0.000 0.783 184 E HN 0.254 nan 8.360 nan 0.000 0.505 185 K N -0.399 120.103 120.400 0.169 0.000 2.345 185 K HA 0.653 4.973 4.320 -0.000 0.000 0.255 185 K C -1.267 175.525 176.600 0.320 0.000 0.934 185 K CA -0.638 55.792 56.287 0.238 0.000 0.801 185 K CB 1.574 34.156 32.500 0.136 0.000 1.137 185 K HN -0.004 nan 8.250 nan 0.000 0.424 186 A N 2.368 125.417 122.820 0.381 0.000 2.387 186 A HA 0.788 5.107 4.320 -0.000 0.000 0.298 186 A C -1.083 176.610 177.584 0.181 0.000 1.165 186 A CA -0.665 51.499 52.037 0.211 0.000 0.814 186 A CB 1.477 20.489 19.000 0.020 0.000 1.357 186 A HN 0.614 nan 8.150 nan 0.000 0.443 187 V N -2.113 117.889 119.914 0.147 0.000 2.841 187 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 187 V C -0.970 175.229 176.094 0.175 0.000 1.090 187 V CA -0.735 61.688 62.300 0.205 0.000 0.930 187 V CB 1.283 33.244 31.823 0.230 0.000 1.014 187 V HN 0.721 nan 8.190 nan 0.000 0.425 188 V N 3.551 123.572 119.914 0.178 0.000 2.313 188 V HA 0.501 4.621 4.120 -0.000 0.000 0.278 188 V C -0.042 176.259 176.094 0.345 0.000 1.017 188 V CA -0.249 62.108 62.300 0.094 0.000 0.823 188 V CB 0.840 32.500 31.823 -0.272 0.000 1.010 188 V HN 1.026 nan 8.190 nan 0.000 0.443 189 E N 3.535 123.945 120.200 0.350 0.000 2.166 189 E HA 0.378 4.728 4.350 -0.000 0.000 0.275 189 E C -0.499 176.202 176.600 0.170 0.000 0.941 189 E CA -0.882 55.703 56.400 0.309 0.000 0.784 189 E CB 2.398 32.276 29.700 0.297 0.000 1.115 189 E HN 0.513 nan 8.360 nan 0.000 0.399 190 K N 1.849 122.080 120.400 -0.283 0.000 2.412 190 K HA 0.211 4.531 4.320 -0.000 0.000 0.281 190 K C -0.533 175.958 176.600 -0.182 0.000 1.027 190 K CA -0.175 55.874 56.287 -0.397 0.000 0.989 190 K CB 0.558 32.542 32.500 -0.859 0.000 0.935 190 K HN 0.572 nan 8.250 nan 0.000 0.475 191 A N 4.287 126.984 122.820 -0.205 0.000 2.340 191 A HA 0.440 4.760 4.320 -0.000 0.000 0.268 191 A C -1.053 176.394 177.584 -0.228 0.000 1.100 191 A CA -0.620 51.262 52.037 -0.258 0.000 0.803 191 A CB 0.333 19.011 19.000 -0.537 0.000 1.043 191 A HN 0.570 nan 8.150 nan 0.000 0.488 192 L N 1.387 122.474 121.223 -0.228 0.000 2.362 192 L HA 0.691 5.030 4.340 -0.000 0.000 0.275 192 L C 0.255 177.024 176.870 -0.169 0.000 0.998 192 L CA 0.179 54.884 54.840 -0.225 0.000 0.820 192 L CB 1.904 43.780 42.059 -0.305 0.000 1.270 192 L HN 0.647 nan 8.230 nan 0.000 0.415 193 S N 3.274 118.905 115.700 -0.115 0.000 2.614 193 S HA 0.847 5.317 4.470 -0.000 0.000 0.275 193 S C -2.655 171.917 174.600 -0.047 0.000 1.161 193 S CA -0.822 57.331 58.200 -0.079 0.000 0.969 193 S CB 1.205 64.357 63.200 -0.079 0.000 1.059 193 S HN 0.568 nan 8.310 nan 0.000 0.482 194 P HA 0.705 nan 4.420 nan 0.000 0.282 194 P C -0.851 176.439 177.300 -0.017 0.000 1.259 194 P CA -0.564 62.523 63.100 -0.021 0.000 0.826 194 P CB 1.220 32.919 31.700 -0.002 0.000 1.064 195 V N -1.407 118.496 119.914 -0.019 0.000 3.102 195 V HA 0.728 4.848 4.120 -0.000 0.000 0.312 195 V C -0.481 175.655 176.094 0.070 0.000 1.135 195 V CA -1.195 61.111 62.300 0.010 0.000 1.022 195 V CB 2.115 33.878 31.823 -0.100 0.000 1.056 195 V HN 0.514 nan 8.190 nan 0.000 0.436 196 R N 0.761 121.340 120.500 0.132 0.000 2.599 196 R HA 0.574 4.914 4.340 -0.000 0.000 0.295 196 R C -0.944 175.493 176.300 0.228 0.000 0.963 196 R CA -0.554 55.630 56.100 0.140 0.000 0.883 196 R CB 2.289 32.649 30.300 0.099 0.000 1.171 196 R HN 0.831 nan 8.270 nan 0.000 0.450 197 E N 3.888 124.212 120.200 0.207 0.000 2.134 197 E HA 0.280 4.630 4.350 -0.000 0.000 0.278 197 E C -0.598 176.070 176.600 0.113 0.000 0.959 197 E CA -0.369 56.160 56.400 0.214 0.000 0.783 197 E CB 1.522 31.335 29.700 0.189 0.000 1.095 197 E HN 0.244 nan 8.360 nan 0.000 0.399 198 L N 2.411 123.699 121.223 0.109 0.000 2.330 198 L HA 0.504 4.843 4.340 -0.000 0.000 0.271 198 L C 0.053 176.973 176.870 0.084 0.000 1.013 198 L CA -0.706 54.174 54.840 0.067 0.000 0.816 198 L CB 1.530 43.611 42.059 0.038 0.000 1.287 198 L HN 0.431 nan 8.230 nan 0.000 0.435 199 E N 1.269 121.491 120.200 0.037 0.000 2.331 199 E HA 0.593 4.943 4.350 -0.000 0.000 0.275 199 E C -1.622 174.968 176.600 -0.017 0.000 0.895 199 E CA -0.658 55.765 56.400 0.038 0.000 0.753 199 E CB 3.546 33.238 29.700 -0.012 0.000 1.216 199 E HN 0.220 nan 8.360 nan 0.000 0.434 200 V N 1.251 121.174 119.914 0.015 0.000 2.760 200 V HA 0.721 4.841 4.120 -0.000 0.000 0.309 200 V C -0.448 175.579 176.094 -0.112 0.000 1.077 200 V CA -0.317 61.932 62.300 -0.085 0.000 0.910 200 V CB 1.934 33.740 31.823 -0.028 0.000 1.008 200 V HN 0.755 nan 8.190 nan 0.000 0.424 201 G N 4.432 113.025 108.800 -0.345 0.000 2.400 201 G HA2 0.591 4.551 3.960 -0.000 0.000 0.301 201 G HA3 0.591 4.551 3.960 -0.000 0.000 0.301 201 G C -1.117 173.811 174.900 0.046 0.000 1.154 201 G CA -0.391 44.538 45.100 -0.285 0.000 0.852 201 G HN 0.862 nan 8.290 nan 0.000 0.511 202 V N 2.125 122.253 119.914 0.355 0.000 2.604 202 V HA 0.589 4.709 4.120 -0.000 0.000 0.305 202 V C -0.703 175.506 176.094 0.192 0.000 1.043 202 V CA -0.770 61.601 62.300 0.119 0.000 0.888 202 V CB 1.679 33.243 31.823 -0.432 0.000 0.995 202 V HN 0.687 nan 8.190 nan 0.000 0.429 203 L N 3.780 125.041 121.223 0.063 0.000 2.410 203 L HA 1.047 5.386 4.340 -0.000 0.000 0.270 203 L C -0.042 176.805 176.870 -0.037 0.000 0.983 203 L CA 0.907 55.719 54.840 -0.046 0.000 0.822 203 L CB 1.615 43.463 42.059 -0.352 0.000 1.285 203 L HN 1.068 nan 8.230 nan 0.000 0.409 204 G N 2.878 111.709 108.800 0.052 0.000 2.371 204 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.663 204 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.663 204 G C -1.665 173.380 174.900 0.242 0.000 1.311 204 G CA -0.980 44.185 45.100 0.109 0.000 0.985 204 G HN 0.673 nan 8.290 nan 0.000 0.566 205 N N 0.760 119.583 118.700 0.203 0.000 2.457 205 N HA 0.507 5.246 4.740 -0.000 0.000 0.250 205 N C 1.477 177.130 175.510 0.238 0.000 0.982 205 N CA 0.497 53.660 53.050 0.188 0.000 0.941 205 N CB 1.515 40.060 38.487 0.098 0.000 1.120 205 N HN 1.307 nan 8.380 nan 0.000 0.505 206 V N 0.897 120.926 119.914 0.190 0.000 0.489 206 V HA -0.364 3.756 4.120 -0.000 0.000 0.092 206 V C 0.140 176.201 176.094 -0.056 0.000 2.367 206 V CA 1.642 63.938 62.300 -0.008 0.000 3.630 206 V CB -1.339 30.429 31.823 -0.093 0.000 0.914 206 V HN 0.567 nan 8.190 nan 0.000 0.957 207 F N 2.096 122.159 119.950 0.189 0.000 2.309 207 F HA 0.706 5.233 4.527 -0.001 0.000 0.366 207 F C 0.916 176.774 175.800 0.097 0.000 1.104 207 F CA 0.377 58.456 58.000 0.132 0.000 1.179 207 F CB 0.946 39.993 39.000 0.078 0.000 1.437 207 F HN 0.265 nan 8.300 nan 0.000 0.528 208 G N 1.572 110.447 108.800 0.126 0.000 2.531 208 G HA2 0.448 4.407 3.960 -0.000 0.000 0.313 208 G HA3 0.448 4.407 3.960 -0.000 0.000 0.313 208 G C -1.287 173.620 174.900 0.012 0.000 1.238 208 G CA -0.558 44.530 45.100 -0.019 0.000 0.994 208 G HN 0.475 nan 8.290 nan 0.000 0.493 209 E N -0.674 119.536 120.200 0.017 0.000 2.191 209 E HA 0.593 4.943 4.350 -0.000 0.000 0.274 209 E C -0.324 176.343 176.600 0.111 0.000 0.948 209 E CA -0.860 55.586 56.400 0.077 0.000 0.802 209 E CB 1.643 31.409 29.700 0.111 0.000 1.137 209 E HN 0.566 nan 8.360 nan 0.000 0.397 210 A N 2.625 125.486 122.820 0.068 0.000 2.306 210 A HA 0.549 4.869 4.320 -0.000 0.000 0.330 210 A C -0.125 177.399 177.584 -0.100 0.000 1.146 210 A CA -0.413 51.622 52.037 -0.003 0.000 0.827 210 A CB 1.290 20.259 19.000 -0.051 0.000 1.178 210 A HN 0.728 nan 8.150 nan 0.000 0.490 211 S N 1.046 116.493 115.700 -0.421 0.000 2.738 211 S HA 0.753 5.223 4.470 -0.000 0.000 0.284 211 S C -2.815 171.555 174.600 -0.383 0.000 1.146 211 S CA -1.350 56.436 58.200 -0.691 0.000 0.997 211 S CB 0.647 62.953 63.200 -1.490 0.000 1.081 211 S HN 0.421 nan 8.310 nan 0.000 0.553 212 P HA 0.242 nan 4.420 nan 0.000 0.272 212 P C -0.949 176.217 177.300 -0.224 0.000 1.230 212 P CA -0.502 62.471 63.100 -0.211 0.000 0.788 212 P CB 0.327 31.925 31.700 -0.170 0.000 0.949 213 V N 1.552 121.366 119.914 -0.167 0.000 2.583 213 V HA 0.527 4.647 4.120 -0.000 0.000 0.287 213 V C 0.982 177.001 176.094 -0.126 0.000 1.051 213 V CA 0.234 62.444 62.300 -0.149 0.000 1.010 213 V CB 0.664 32.407 31.823 -0.135 0.000 0.988 213 V HN 0.732 nan 8.190 nan 0.000 0.478 214 G N 3.018 111.750 108.800 -0.114 0.000 2.481 214 G HA2 0.660 4.620 3.960 -0.000 0.000 0.315 214 G HA3 0.660 4.620 3.960 -0.000 0.000 0.315 214 G C -1.200 173.670 174.900 -0.050 0.000 1.231 214 G CA -0.447 44.600 45.100 -0.089 0.000 0.968 214 G HN 0.701 nan 8.290 nan 0.000 0.482 215 E N 0.295 120.475 120.200 -0.033 0.000 2.256 215 E HA 0.589 4.939 4.350 -0.000 0.000 0.267 215 E C -1.168 175.434 176.600 0.004 0.000 0.892 215 E CA -0.683 55.714 56.400 -0.005 0.000 0.775 215 E CB 2.323 32.024 29.700 0.001 0.000 1.207 215 E HN 0.234 nan 8.360 nan 0.000 0.420 216 V N 4.171 124.100 119.914 0.026 0.000 2.459 216 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 216 V C -0.251 175.880 176.094 0.062 0.000 1.029 216 V CA -0.692 61.630 62.300 0.036 0.000 0.874 216 V CB 1.489 33.334 31.823 0.037 0.000 0.985 216 V HN 0.669 nan 8.190 nan 0.000 0.438 217 R N 2.754 123.293 120.500 0.065 0.000 2.628 217 R HA 0.480 4.819 4.340 -0.000 0.000 0.288 217 R C -1.482 174.896 176.300 0.130 0.000 0.980 217 R CA -0.770 55.382 56.100 0.088 0.000 0.891 217 R CB 2.744 33.073 30.300 0.050 0.000 1.188 217 R HN 0.792 nan 8.270 nan 0.000 0.450 218 Y N 1.672 121.982 120.300 0.018 0.000 2.320 218 Y HA 0.237 4.787 4.550 -0.000 0.000 0.324 218 Y C -0.491 175.423 175.900 0.023 0.000 1.190 218 Y CA -0.328 57.783 58.100 0.018 0.000 1.215 218 Y CB 1.284 39.756 38.460 0.020 0.000 1.221 218 Y HN 0.374 nan 8.280 nan 0.000 0.486 219 E N 4.508 124.337 120.200 -0.619 0.000 2.216 219 E HA 0.393 4.742 4.350 -0.000 0.000 0.260 219 E C -0.941 175.133 176.600 -0.877 0.000 0.880 219 E CA -0.680 55.397 56.400 -0.537 0.000 0.765 219 E CB 1.716 31.295 29.700 -0.202 0.000 1.174 219 E HN 0.823 nan 8.360 nan 0.000 0.417 220 A N 4.688 127.073 122.820 -0.726 0.000 2.445 220 A HA 0.463 4.782 4.320 -0.000 0.000 0.242 220 A C -2.152 175.384 177.584 -0.081 0.000 1.075 220 A CA -0.871 50.925 52.037 -0.403 0.000 0.777 220 A CB -0.259 18.682 19.000 -0.098 0.000 1.013 220 A HN 0.258 nan 8.150 nan 0.000 0.493 221 P HA 0.546 nan 4.420 nan 0.000 0.274 221 P C -0.720 176.606 177.300 0.043 0.000 1.237 221 P CA 0.104 63.128 63.100 -0.126 0.000 0.793 221 P CB 0.383 32.065 31.700 -0.029 0.000 0.977 222 F N -1.699 118.157 119.950 -0.156 0.000 2.817 222 F HA 0.527 5.054 4.527 -0.000 0.000 0.317 222 F C -2.063 173.775 175.800 0.063 0.000 1.168 222 F CA -1.407 56.575 58.000 -0.031 0.000 0.911 222 F CB 0.892 39.848 39.000 -0.072 0.000 1.337 222 F HN 0.177 nan 8.300 nan 0.000 0.464 223 Y N 1.961 122.379 120.300 0.198 0.000 2.342 223 Y HA 0.317 4.867 4.550 -0.001 0.000 0.338 223 Y C -0.153 175.800 175.900 0.089 0.000 0.965 223 Y CA -0.704 57.447 58.100 0.086 0.000 1.159 223 Y CB 0.629 39.133 38.460 0.074 0.000 1.157 223 Y HN 0.665 nan 8.280 nan 0.000 0.486 224 D N 2.571 122.957 120.400 -0.024 0.000 2.312 224 D HA 0.012 4.652 4.640 -0.000 0.000 0.248 224 D C 0.377 176.578 176.300 -0.165 0.000 1.086 224 D CA 0.086 54.064 54.000 -0.037 0.000 0.948 224 D CB 1.057 41.887 40.800 0.051 0.000 1.162 224 D HN 0.552 nan 8.370 nan 0.000 0.446 225 Y N 0.430 120.756 120.300 0.044 0.000 2.200 225 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 225 Y C 2.196 178.082 175.900 -0.023 0.000 1.137 225 Y CA 1.137 59.246 58.100 0.014 0.000 1.163 225 Y CB 0.050 38.525 38.460 0.024 0.000 0.988 225 Y HN 0.480 nan 8.280 nan 0.000 0.518 226 E N -1.890 118.387 120.200 0.130 0.000 2.447 226 E HA 0.030 4.379 4.350 -0.000 0.000 0.204 226 E C 1.202 177.794 176.600 -0.013 0.000 0.977 226 E CA 1.102 57.533 56.400 0.052 0.000 0.950 226 E CB -0.280 29.455 29.700 0.058 0.000 0.975 226 E HN 0.245 nan 8.360 nan 0.000 0.496 227 T N 0.001 114.529 114.554 -0.044 0.000 3.129 227 T HA 0.229 4.579 4.350 -0.000 0.000 0.267 227 T C 0.096 174.693 174.700 -0.171 0.000 1.018 227 T CA -0.012 62.037 62.100 -0.085 0.000 0.903 227 T CB -0.219 68.608 68.868 -0.068 0.000 1.067 227 T HN 0.164 nan 8.240 nan 0.000 0.549 228 K N -0.100 120.136 120.400 -0.272 0.000 2.086 228 K HA -0.295 4.025 4.320 -0.000 0.000 0.169 228 K C -0.141 176.188 176.600 -0.452 0.000 1.526 228 K CA 1.192 57.142 56.287 -0.562 0.000 0.602 228 K CB -1.144 31.094 32.500 -0.436 0.000 0.605 228 K HN 0.417 nan 8.250 nan 0.000 0.921 229 Y N 1.803 121.840 120.300 -0.438 0.000 2.721 229 Y HA -0.048 4.502 4.550 -0.000 0.000 0.329 229 Y C -0.200 175.563 175.900 -0.227 0.000 1.211 229 Y CA 0.822 58.848 58.100 -0.124 0.000 1.512 229 Y CB 0.489 39.000 38.460 0.085 0.000 1.249 229 Y HN 0.213 nan 8.280 nan 0.000 0.549 230 T N 9.229 123.197 114.554 -0.976 0.000 2.864 230 T HA 0.278 4.628 4.350 -0.000 0.000 0.310 230 T C -2.614 171.407 174.700 -1.132 0.000 1.040 230 T CA -1.406 60.106 62.100 -0.979 0.000 0.977 230 T CB 1.185 69.330 68.868 -1.204 0.000 0.976 230 T HN 0.427 nan 8.240 nan 0.000 0.459 231 P HA 0.177 nan 4.420 nan 0.000 0.267 231 P C 0.647 177.761 177.300 -0.309 0.000 1.201 231 P CA -0.060 62.739 63.100 -0.501 0.000 0.775 231 P CB 0.434 32.036 31.700 -0.162 0.000 0.854 232 G N 2.364 111.080 108.800 -0.139 0.000 2.491 232 G HA2 0.253 4.212 3.960 -0.000 0.000 0.242 232 G HA3 0.253 4.212 3.960 -0.000 0.000 0.242 232 G C -0.284 174.592 174.900 -0.040 0.000 1.266 232 G CA -0.377 44.673 45.100 -0.083 0.000 0.844 232 G HN 0.417 nan 8.290 nan 0.000 0.571 233 R N 0.001 120.460 120.500 -0.068 0.000 2.919 233 R HA 0.710 5.050 4.340 -0.000 0.000 0.260 233 R C -0.693 175.645 176.300 0.063 0.000 1.067 233 R CA -0.848 55.246 56.100 -0.011 0.000 1.003 233 R CB 2.203 32.476 30.300 -0.045 0.000 1.192 233 R HN 0.596 nan 8.270 nan 0.000 0.488 234 A N 1.435 124.293 122.820 0.063 0.000 2.409 234 A HA 0.302 4.622 4.320 -0.000 0.000 0.300 234 A C -0.822 176.784 177.584 0.037 0.000 1.273 234 A CA -0.716 51.373 52.037 0.086 0.000 0.774 234 A CB 0.541 19.587 19.000 0.076 0.000 1.144 234 A HN 0.659 nan 8.150 nan 0.000 0.472 235 E N 1.930 122.149 120.200 0.031 0.000 2.301 235 E HA 0.472 4.822 4.350 -0.000 0.000 0.275 235 E C -0.994 175.610 176.600 0.007 0.000 1.030 235 E CA -0.402 56.004 56.400 0.009 0.000 0.852 235 E CB 1.589 31.291 29.700 0.002 0.000 1.060 235 E HN 0.611 nan 8.360 nan 0.000 0.401 236 L N 3.730 124.947 121.223 -0.009 0.000 2.298 236 L HA 0.379 4.719 4.340 -0.000 0.000 0.284 236 L C -0.495 176.359 176.870 -0.026 0.000 1.013 236 L CA -0.567 54.261 54.840 -0.020 0.000 0.824 236 L CB 0.615 42.654 42.059 -0.032 0.000 1.221 236 L HN 0.333 nan 8.230 nan 0.000 0.418 237 L N 5.310 126.518 121.223 -0.025 0.000 2.255 237 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 237 L C -0.760 176.083 176.870 -0.045 0.000 1.046 237 L CA -0.390 54.432 54.840 -0.030 0.000 0.816 237 L CB 1.087 43.134 42.059 -0.021 0.000 1.197 237 L HN 0.477 nan 8.230 nan 0.000 0.427 238 I N 5.336 125.876 120.570 -0.051 0.000 2.411 238 I HA 0.388 4.557 4.170 -0.000 0.000 0.284 238 I C -1.638 174.443 176.117 -0.059 0.000 1.012 238 I CA -1.330 59.930 61.300 -0.067 0.000 1.119 238 I CB 1.412 39.365 38.000 -0.078 0.000 1.261 238 I HN 0.435 nan 8.210 nan 0.000 0.448 239 P HA 0.540 nan 4.420 nan 0.000 0.279 239 P C -0.614 176.651 177.300 -0.058 0.000 1.252 239 P CA -0.604 62.453 63.100 -0.071 0.000 0.811 239 P CB 1.139 32.796 31.700 -0.072 0.000 1.035 240 A N 3.142 125.925 122.820 -0.061 0.000 2.498 240 A HA 0.298 4.617 4.320 -0.000 0.000 0.239 240 A C -1.781 175.779 177.584 -0.040 0.000 1.068 240 A CA -0.996 51.014 52.037 -0.045 0.000 0.766 240 A CB -0.990 17.983 19.000 -0.045 0.000 1.003 240 A HN 0.462 nan 8.150 nan 0.000 0.497 241 P HA 0.327 nan 4.420 nan 0.000 0.263 241 P C -1.039 176.246 177.300 -0.025 0.000 1.601 241 P CA 0.538 63.623 63.100 -0.026 0.000 1.161 241 P CB -0.128 31.561 31.700 -0.018 0.000 1.730 242 L N 2.551 123.754 121.223 -0.033 0.000 2.327 242 L HA 0.450 4.790 4.340 -0.000 0.000 0.258 242 L C 0.461 177.309 176.870 -0.036 0.000 1.024 242 L CA -1.169 53.650 54.840 -0.035 0.000 0.825 242 L CB 2.211 44.240 42.059 -0.050 0.000 1.386 242 L HN 0.234 nan 8.230 nan 0.000 0.417 243 D N 0.882 121.262 120.400 -0.034 0.000 2.304 243 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 243 D C -1.983 174.293 176.300 -0.040 0.000 1.089 243 D CA -1.574 52.407 54.000 -0.032 0.000 0.910 243 D CB 1.492 42.276 40.800 -0.026 0.000 1.199 243 D HN 0.273 nan 8.370 nan 0.000 0.426 244 P HA -0.224 nan 4.420 nan 0.000 0.219 244 P C 1.318 178.591 177.300 -0.045 0.000 1.149 244 P CA 1.742 64.818 63.100 -0.040 0.000 0.835 244 P CB -0.023 31.658 31.700 -0.031 0.000 0.778 245 G N -0.758 108.017 108.800 -0.042 0.000 2.396 245 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 245 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 245 G C 1.508 176.371 174.900 -0.061 0.000 1.166 245 G CA 1.043 46.117 45.100 -0.045 0.000 0.793 245 G HN 0.215 nan 8.290 nan 0.000 0.533 246 T N 0.370 114.885 114.554 -0.065 0.000 2.904 246 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 246 T C 2.218 176.847 174.700 -0.118 0.000 1.059 246 T CA 1.324 63.373 62.100 -0.086 0.000 1.137 246 T CB -0.085 68.742 68.868 -0.070 0.000 0.879 246 T HN 0.365 nan 8.240 nan 0.000 0.467 247 Q N 1.023 120.762 119.800 -0.101 0.000 2.050 247 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 247 Q C 2.073 177.996 176.000 -0.128 0.000 0.980 247 Q CA 1.507 57.241 55.803 -0.116 0.000 0.840 247 Q CB -0.050 28.635 28.738 -0.088 0.000 0.898 247 Q HN 0.584 nan 8.270 nan 0.000 0.424 248 E N -0.674 119.467 120.200 -0.098 0.000 2.204 248 E HA -0.111 4.238 4.350 -0.000 0.000 0.194 248 E C 1.910 178.449 176.600 -0.102 0.000 0.989 248 E CA 1.364 57.712 56.400 -0.087 0.000 0.824 248 E CB 0.140 29.805 29.700 -0.059 0.000 0.756 248 E HN 0.386 nan 8.360 nan 0.000 0.477 249 T N 0.717 115.199 114.554 -0.120 0.000 2.770 249 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 249 T C 2.048 176.617 174.700 -0.219 0.000 1.039 249 T CA 1.090 63.111 62.100 -0.131 0.000 1.142 249 T CB -0.233 68.562 68.868 -0.122 0.000 0.868 249 T HN 0.088 nan 8.240 nan 0.000 0.435 250 V N 0.959 120.667 119.914 -0.343 0.000 2.515 250 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 250 V C 2.241 178.056 176.094 -0.464 0.000 1.058 250 V CA 1.826 63.715 62.300 -0.686 0.000 1.064 250 V CB -0.522 30.821 31.823 -0.801 0.000 0.675 250 V HN 0.486 nan 8.190 nan 0.000 0.461 251 Q N -0.292 119.361 119.800 -0.244 0.000 2.046 251 Q HA -0.235 4.104 4.340 -0.000 0.000 0.200 251 Q C 2.314 178.281 176.000 -0.055 0.000 0.975 251 Q CA 2.121 57.849 55.803 -0.127 0.000 0.836 251 Q CB -0.177 28.499 28.738 -0.104 0.000 0.896 251 Q HN 0.843 nan 8.270 nan 0.000 0.428 252 E N 0.107 120.274 120.200 -0.055 0.000 2.106 252 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 252 E C 1.728 178.350 176.600 0.036 0.000 0.984 252 E CA 0.557 56.954 56.400 -0.006 0.000 0.806 252 E CB 0.154 29.847 29.700 -0.012 0.000 0.750 252 E HN 0.163 nan 8.360 nan 0.000 0.458 253 L N 0.858 122.102 121.223 0.036 0.000 2.083 253 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 253 L C 2.385 179.427 176.870 0.288 0.000 1.083 253 L CA 1.867 56.802 54.840 0.158 0.000 0.752 253 L CB -1.035 41.148 42.059 0.207 0.000 0.899 253 L HN 0.211 nan 8.230 nan 0.000 0.433 254 A N -1.046 121.978 122.820 0.340 0.000 1.873 254 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 254 A C 2.102 179.792 177.584 0.177 0.000 1.186 254 A CA 1.280 53.516 52.037 0.332 0.000 0.616 254 A CB -0.599 18.582 19.000 0.302 0.000 0.823 254 A HN 0.277 nan 8.150 nan 0.000 0.442 255 L N 0.112 121.398 121.223 0.104 0.000 2.046 255 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 255 L C 2.376 179.306 176.870 0.101 0.000 1.077 255 L CA 2.346 57.229 54.840 0.072 0.000 0.747 255 L CB -1.329 40.756 42.059 0.044 0.000 0.896 255 L HN 0.566 nan 8.230 nan 0.000 0.432 256 K N -0.195 120.258 120.400 0.088 0.000 2.026 256 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 256 K C 2.112 178.747 176.600 0.059 0.000 1.048 256 K CA 1.542 57.867 56.287 0.063 0.000 0.929 256 K CB -0.013 32.525 32.500 0.063 0.000 0.713 256 K HN 0.205 nan 8.250 nan 0.000 0.439 257 A N 0.491 123.363 122.820 0.086 0.000 1.865 257 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 257 A C 2.094 179.715 177.584 0.061 0.000 1.191 257 A CA 1.657 53.726 52.037 0.054 0.000 0.623 257 A CB -1.135 17.889 19.000 0.040 0.000 0.826 257 A HN 0.574 nan 8.150 nan 0.000 0.444 258 Y N 0.650 120.933 120.300 -0.029 0.000 2.069 258 Y HA -0.297 4.252 4.550 -0.000 0.000 0.278 258 Y C 2.536 178.376 175.900 -0.100 0.000 1.175 258 Y CA 2.651 60.726 58.100 -0.042 0.000 1.134 258 Y CB -0.095 38.359 38.460 -0.011 0.000 0.965 258 Y HN 0.246 nan 8.280 nan 0.000 0.498 259 K N 0.133 120.558 120.400 0.042 0.000 2.026 259 K HA -0.168 4.151 4.320 -0.000 0.000 0.208 259 K C 2.288 178.783 176.600 -0.176 0.000 1.048 259 K CA 1.577 57.752 56.287 -0.187 0.000 0.929 259 K CB -0.979 31.351 32.500 -0.283 0.000 0.713 259 K HN 0.382 nan 8.250 nan 0.000 0.439 260 V N 1.094 120.952 119.914 -0.093 0.000 2.343 260 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 260 V C 2.022 178.067 176.094 -0.083 0.000 1.051 260 V CA 1.424 63.683 62.300 -0.069 0.000 1.036 260 V CB -0.213 31.593 31.823 -0.029 0.000 0.654 260 V HN 0.237 nan 8.190 nan 0.000 0.451 261 L N 1.498 122.661 121.223 -0.100 0.000 2.622 261 L HA 0.354 4.694 4.340 -0.000 0.000 0.233 261 L C 1.841 178.616 176.870 -0.158 0.000 1.156 261 L CA 1.336 56.106 54.840 -0.116 0.000 0.866 261 L CB -1.335 40.651 42.059 -0.122 0.000 0.980 261 L HN 0.600 nan 8.230 nan 0.000 0.448 262 G N -0.445 108.239 108.800 -0.193 0.000 2.249 262 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 262 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 262 G C 0.413 175.141 174.900 -0.287 0.000 1.036 262 G CA 0.276 45.252 45.100 -0.206 0.000 0.824 262 G HN 0.162 nan 8.290 nan 0.000 0.504 263 V N -0.355 119.255 119.914 -0.506 0.000 2.999 263 V HA 0.409 4.529 4.120 -0.000 0.000 0.307 263 V C 1.119 176.861 176.094 -0.585 0.000 1.084 263 V CA 0.333 62.229 62.300 -0.674 0.000 1.155 263 V CB 1.053 32.180 31.823 -1.159 0.000 0.975 263 V HN 0.519 nan 8.190 nan 0.000 0.490 264 R N 1.322 121.643 120.500 -0.299 0.000 2.750 264 R HA 0.659 4.999 4.340 -0.000 0.000 0.281 264 R C 0.193 176.498 176.300 0.009 0.000 0.972 264 R CA 0.116 56.159 56.100 -0.095 0.000 0.912 264 R CB 2.025 32.256 30.300 -0.116 0.000 1.187 264 R HN 1.181 nan 8.270 nan 0.000 0.464 268 R N 1.569 122.292 120.500 0.371 0.000 2.295 268 R HA 0.628 4.967 4.340 -0.000 0.000 0.324 268 R C -1.500 174.899 176.300 0.165 0.000 0.968 268 R CA -0.347 56.003 56.100 0.416 0.000 0.837 268 R CB 1.293 31.827 30.300 0.391 0.000 1.133 268 R HN 0.565 nan 8.270 nan 0.000 0.450 269 V N 4.818 124.805 119.914 0.122 0.000 2.347 269 V HA 0.215 4.335 4.120 -0.000 0.000 0.280 269 V C -0.515 175.552 176.094 -0.044 0.000 1.021 269 V CA -0.782 61.514 62.300 -0.008 0.000 0.847 269 V CB 1.461 33.313 31.823 0.048 0.000 0.990 269 V HN 0.723 nan 8.190 nan 0.000 0.444 270 D N 4.413 124.689 120.400 -0.207 0.000 2.177 270 D HA 0.612 5.252 4.640 -0.000 0.000 0.247 270 D C -0.585 175.477 176.300 -0.398 0.000 1.063 270 D CA 0.123 54.005 54.000 -0.196 0.000 0.867 270 D CB 1.686 42.341 40.800 -0.241 0.000 1.168 270 D HN 0.266 nan 8.370 nan 0.000 0.445 271 F N 0.670 120.485 119.950 -0.225 0.000 2.611 271 F HA 0.510 5.037 4.527 -0.000 0.000 0.324 271 F C -0.297 175.390 175.800 -0.188 0.000 1.061 271 F CA -1.013 56.872 58.000 -0.191 0.000 0.954 271 F CB 1.288 40.254 39.000 -0.057 0.000 1.301 271 F HN 0.084 nan 8.300 nan 0.000 0.482 272 F N 2.247 122.387 119.950 0.317 0.000 2.482 272 F HA 0.566 5.093 4.527 -0.000 0.000 0.331 272 F C -0.650 175.323 175.800 0.288 0.000 1.115 272 F CA -1.147 56.996 58.000 0.239 0.000 0.955 272 F CB 1.719 40.835 39.000 0.193 0.000 1.136 272 F HN 0.102 nan 8.300 nan 0.000 0.452 273 L N 3.949 125.412 121.223 0.401 0.000 2.319 273 L HA 0.875 5.215 4.340 -0.000 0.000 0.281 273 L C -0.981 176.024 176.870 0.225 0.000 1.005 273 L CA -0.376 54.617 54.840 0.256 0.000 0.828 273 L CB 0.889 43.032 42.059 0.139 0.000 1.227 273 L HN 0.623 nan 8.230 nan 0.000 0.415 274 A N 3.787 126.760 122.820 0.255 0.000 2.402 274 A HA 0.594 4.913 4.320 -0.000 0.000 0.291 274 A C -0.087 177.596 177.584 0.165 0.000 1.051 274 A CA -0.331 51.813 52.037 0.178 0.000 0.716 274 A CB 0.562 19.645 19.000 0.137 0.000 1.223 274 A HN 0.809 nan 8.150 nan 0.000 0.425 275 E N 1.343 121.600 120.200 0.095 0.000 2.297 275 E HA -0.256 4.094 4.350 -0.000 0.000 0.228 275 E C 1.028 177.669 176.600 0.068 0.000 1.213 275 E CA 1.223 57.666 56.400 0.072 0.000 0.712 275 E CB -1.443 28.300 29.700 0.071 0.000 1.202 275 E HN 2.362 nan 8.360 nan 0.000 0.376 276 G N -0.049 108.784 108.800 0.055 0.000 2.155 276 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.257 276 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.257 276 G C -0.067 174.840 174.900 0.011 0.000 0.983 276 G CA 0.772 45.889 45.100 0.027 0.000 0.676 276 G HN 0.299 nan 8.290 nan 0.000 0.528 277 E N -0.391 119.831 120.200 0.037 0.000 2.199 277 E HA 0.605 4.954 4.350 -0.000 0.000 0.269 277 E C 0.048 176.572 176.600 -0.126 0.000 0.899 277 E CA -0.687 55.665 56.400 -0.080 0.000 0.772 277 E CB 1.873 31.537 29.700 -0.060 0.000 1.155 277 E HN 0.279 nan 8.360 nan 0.000 0.408 278 L N 2.969 124.041 121.223 -0.252 0.000 2.309 278 L HA 0.410 4.750 4.340 -0.000 0.000 0.282 278 L C -0.903 175.817 176.870 -0.249 0.000 1.036 278 L CA -0.717 54.059 54.840 -0.106 0.000 0.806 278 L CB 0.561 42.568 42.059 -0.086 0.000 1.220 278 L HN 0.435 nan 8.230 nan 0.000 0.429 279 Y N 3.163 123.636 120.300 0.288 0.000 2.346 279 Y HA 0.346 4.895 4.550 -0.001 0.000 0.332 279 Y C -0.191 175.820 175.900 0.184 0.000 0.985 279 Y CA -0.617 57.629 58.100 0.243 0.000 1.112 279 Y CB 1.900 40.512 38.460 0.254 0.000 1.170 279 Y HN 0.389 nan 8.280 nan 0.000 0.447 280 L N 3.698 124.995 121.223 0.123 0.000 2.456 280 L HA 0.151 4.490 4.340 -0.000 0.000 0.277 280 L C 0.782 177.472 176.870 -0.300 0.000 1.124 280 L CA 0.176 54.781 54.840 -0.392 0.000 0.880 280 L CB 0.420 42.215 42.059 -0.441 0.000 1.192 280 L HN 0.824 nan 8.230 nan 0.000 0.463 281 N N 3.666 122.093 118.700 -0.456 0.000 2.220 281 N HA 0.021 4.761 4.740 -0.000 0.000 0.182 281 N C -0.470 174.829 175.510 -0.352 0.000 1.023 281 N CA 1.014 53.796 53.050 -0.446 0.000 0.856 281 N CB 0.468 38.347 38.487 -1.012 0.000 0.997 281 N HN 0.735 nan 8.380 nan 0.000 0.429 282 E N -1.104 118.869 120.200 -0.379 0.000 2.407 282 E HA 0.326 4.676 4.350 -0.000 0.000 0.279 282 E C -1.803 174.656 176.600 -0.235 0.000 1.012 282 E CA -0.667 55.575 56.400 -0.263 0.000 0.800 282 E CB 2.222 31.799 29.700 -0.206 0.000 1.276 282 E HN 0.045 nan 8.360 nan 0.000 0.452 283 L N 2.205 123.336 121.223 -0.154 0.000 2.372 283 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 283 L C -1.679 175.168 176.870 -0.038 0.000 0.989 283 L CA -0.578 54.209 54.840 -0.088 0.000 0.841 283 L CB 0.987 42.999 42.059 -0.077 0.000 1.225 283 L HN 0.456 nan 8.230 nan 0.000 0.414 284 N N 1.975 120.676 118.700 0.002 0.000 2.420 284 N HA 0.203 4.943 4.740 -0.000 0.000 0.249 284 N C 1.097 176.636 175.510 0.048 0.000 1.033 284 N CA -0.105 52.958 53.050 0.022 0.000 0.944 284 N CB 1.625 40.128 38.487 0.026 0.000 1.113 284 N HN 0.622 nan 8.380 nan 0.000 0.502 285 T N -0.949 113.630 114.554 0.041 0.000 2.995 285 T HA 0.046 4.395 4.350 -0.000 0.000 0.269 285 T C 0.705 175.446 174.700 0.069 0.000 1.091 285 T CA 0.827 62.955 62.100 0.047 0.000 1.128 285 T CB 0.075 68.958 68.868 0.024 0.000 0.891 285 T HN 0.287 nan 8.240 nan 0.000 0.492 286 I N 3.581 124.212 120.570 0.101 0.000 2.595 286 I HA 0.392 4.561 4.170 -0.000 0.000 0.275 286 I C -2.569 173.677 176.117 0.216 0.000 1.092 286 I CA -3.011 58.394 61.300 0.175 0.000 1.145 286 I CB 0.948 39.047 38.000 0.165 0.000 1.276 286 I HN 0.080 nan 8.210 nan 0.000 0.497 287 P HA 0.204 nan 4.420 nan 0.000 0.275 287 P C 0.326 177.596 177.300 -0.051 0.000 1.266 287 P CA -0.035 62.993 63.100 -0.120 0.000 0.793 287 P CB 1.244 32.596 31.700 -0.579 0.000 1.074 288 G N -0.739 108.002 108.800 -0.098 0.000 2.539 288 G HA2 0.357 4.317 3.960 -0.000 0.000 0.258 288 G HA3 0.357 4.317 3.960 -0.000 0.000 0.258 288 G C -0.781 173.965 174.900 -0.256 0.000 1.202 288 G CA -0.411 44.678 45.100 -0.019 0.000 0.851 288 G HN 0.371 nan 8.290 nan 0.000 0.556 289 F N -0.061 120.006 119.950 0.195 0.000 2.814 289 F HA 0.250 4.777 4.527 -0.000 0.000 0.326 289 F C 1.206 177.118 175.800 0.186 0.000 1.159 289 F CA -0.421 57.727 58.000 0.248 0.000 1.234 289 F CB 0.684 39.847 39.000 0.272 0.000 1.016 289 F HN 0.249 nan 8.300 nan 0.000 0.510 290 T N 3.027 117.681 114.554 0.168 0.000 2.868 290 T HA 0.087 4.436 4.350 -0.000 0.000 0.292 290 T C -1.268 173.427 174.700 -0.008 0.000 1.028 290 T CA -0.940 61.220 62.100 0.099 0.000 1.059 290 T CB 1.000 69.900 68.868 0.052 0.000 0.991 290 T HN -0.014 nan 8.240 nan 0.000 0.531 291 P HA -0.036 nan 4.420 nan 0.000 0.225 291 P C 1.079 178.312 177.300 -0.111 0.000 1.148 291 P CA 0.969 63.988 63.100 -0.136 0.000 0.779 291 P CB 0.184 31.855 31.700 -0.048 0.000 0.780 292 T N -1.737 112.783 114.554 -0.057 0.000 3.069 292 T HA 0.156 4.506 4.350 -0.000 0.000 0.252 292 T C 0.890 175.562 174.700 -0.047 0.000 1.053 292 T CA 0.013 62.085 62.100 -0.047 0.000 0.964 292 T CB -0.276 68.578 68.868 -0.023 0.000 1.005 292 T HN 0.006 nan 8.240 nan 0.000 0.532 296 P HA -0.081 nan 4.420 nan 0.000 0.220 296 P C 0.887 178.187 177.300 -0.001 0.000 1.148 296 P CA 1.660 64.845 63.100 0.142 0.000 0.803 296 P CB 0.042 31.732 31.700 -0.018 0.000 0.782 297 R N -0.851 119.595 120.500 -0.089 0.000 2.075 297 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 297 R C 2.389 178.618 176.300 -0.118 0.000 1.126 297 R CA 0.871 56.910 56.100 -0.103 0.000 0.963 297 R CB -0.961 29.276 30.300 -0.106 0.000 0.858 297 R HN 0.154 nan 8.270 nan 0.000 0.435 298 L N -0.317 120.785 121.223 -0.202 0.000 2.046 298 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 298 L C 1.995 178.664 176.870 -0.335 0.000 1.077 298 L CA 1.719 56.371 54.840 -0.313 0.000 0.747 298 L CB -0.540 41.230 42.059 -0.483 0.000 0.896 298 L HN 0.029 nan 8.230 nan 0.000 0.432 299 F N -0.472 119.396 119.950 -0.137 0.000 2.325 299 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 299 F C 2.480 178.268 175.800 -0.020 0.000 1.090 299 F CA 1.054 59.020 58.000 -0.057 0.000 1.392 299 F CB -0.307 38.698 39.000 0.007 0.000 1.053 299 F HN 0.146 nan 8.300 nan 0.000 0.521 300 E N 0.685 120.955 120.200 0.118 0.000 2.051 300 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 300 E C 2.229 178.843 176.600 0.024 0.000 0.991 300 E CA 1.473 57.914 56.400 0.068 0.000 0.799 300 E CB -0.424 29.282 29.700 0.011 0.000 0.748 300 E HN 0.211 nan 8.360 nan 0.000 0.449 301 A N -0.028 122.777 122.820 -0.026 0.000 2.019 301 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 301 A C 2.151 179.714 177.584 -0.036 0.000 1.164 301 A CA 1.425 53.435 52.037 -0.046 0.000 0.644 301 A CB -0.865 18.084 19.000 -0.085 0.000 0.805 301 A HN 0.338 nan 8.150 nan 0.000 0.449 302 G N -1.838 106.945 108.800 -0.029 0.000 3.327 302 G HA2 0.395 4.355 3.960 -0.000 0.000 0.240 302 G HA3 0.395 4.355 3.960 -0.000 0.000 0.240 302 G C 1.071 176.013 174.900 0.070 0.000 1.222 302 G CA 0.395 45.495 45.100 0.001 0.000 0.871 302 G HN 1.534 nan 8.290 nan 0.000 0.525 303 G N -1.189 107.646 108.800 0.059 0.000 2.162 303 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 303 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 303 G C 0.183 175.136 174.900 0.089 0.000 0.976 303 G CA 0.292 45.429 45.100 0.063 0.000 0.655 303 G HN 0.843 nan 8.290 nan 0.000 0.533 304 V N 1.340 121.337 119.914 0.138 0.000 2.293 304 V HA 0.728 4.847 4.120 -0.000 0.000 0.275 304 V C 0.935 177.113 176.094 0.141 0.000 1.021 304 V CA -0.567 61.817 62.300 0.140 0.000 0.815 304 V CB 0.752 32.682 31.823 0.179 0.000 1.025 304 V HN 1.031 nan 8.190 nan 0.000 0.448 305 A N 3.421 126.302 122.820 0.102 0.000 2.466 305 A HA 0.229 4.548 4.320 -0.000 0.000 0.238 305 A C 0.909 178.593 177.584 0.168 0.000 1.074 305 A CA 0.122 52.224 52.037 0.109 0.000 0.774 305 A CB 0.005 19.047 19.000 0.071 0.000 1.015 305 A HN 0.764 nan 8.150 nan 0.000 0.498 306 Y N 2.831 123.130 120.300 -0.002 0.000 2.040 306 Y HA -0.142 4.408 4.550 -0.000 0.000 0.275 306 Y C -0.666 175.253 175.900 0.032 0.000 1.171 306 Y CA 2.603 60.703 58.100 0.000 0.000 1.123 306 Y CB -1.606 36.759 38.460 -0.158 0.000 0.963 306 Y HN 0.526 nan 8.280 nan 0.000 0.493 307 P HA -0.192 nan 4.420 nan 0.000 0.216 307 P C 1.486 178.740 177.300 -0.076 0.000 1.153 307 P CA 2.412 65.470 63.100 -0.069 0.000 0.858 307 P CB -0.028 31.667 31.700 -0.008 0.000 0.789 308 E N -0.503 119.687 120.200 -0.016 0.000 2.106 308 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 308 E C 1.767 178.365 176.600 -0.003 0.000 0.984 308 E CA 0.794 57.185 56.400 -0.014 0.000 0.806 308 E CB -1.187 28.520 29.700 0.012 0.000 0.750 308 E HN 0.015 nan 8.360 nan 0.000 0.458 309 L N 0.110 121.354 121.223 0.034 0.000 2.046 309 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 309 L C 2.062 178.966 176.870 0.057 0.000 1.077 309 L CA 1.625 56.494 54.840 0.048 0.000 0.747 309 L CB -0.480 41.691 42.059 0.187 0.000 0.896 309 L HN 0.267 nan 8.230 nan 0.000 0.432 310 L N -0.781 120.445 121.223 0.004 0.000 2.056 310 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 310 L C 2.798 179.722 176.870 0.091 0.000 1.078 310 L CA 1.485 56.345 54.840 0.032 0.000 0.749 310 L CB -0.634 41.349 42.059 -0.126 0.000 0.901 310 L HN 0.308 nan 8.230 nan 0.000 0.433 311 R N 0.606 121.113 120.500 0.013 0.000 2.083 311 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 311 R C 2.496 178.875 176.300 0.133 0.000 1.137 311 R CA 1.606 57.739 56.100 0.056 0.000 0.951 311 R CB -0.081 30.159 30.300 -0.100 0.000 0.851 311 R HN 0.296 nan 8.270 nan 0.000 0.434 312 R N 0.182 120.716 120.500 0.057 0.000 2.096 312 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 312 R C 2.462 178.781 176.300 0.032 0.000 1.127 312 R CA 1.381 57.503 56.100 0.037 0.000 0.968 312 R CB -0.387 29.907 30.300 -0.011 0.000 0.861 312 R HN 0.262 nan 8.270 nan 0.000 0.440 313 L N 0.200 121.443 121.223 0.033 0.000 1.989 313 L HA -0.205 4.134 4.340 -0.000 0.000 0.211 313 L C 2.429 179.272 176.870 -0.046 0.000 1.071 313 L CA 1.218 56.044 54.840 -0.023 0.000 0.749 313 L CB -0.527 41.517 42.059 -0.025 0.000 0.890 313 L HN 0.034 nan 8.230 nan 0.000 0.431 314 V N -0.379 119.570 119.914 0.059 0.000 2.287 314 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 314 V C 2.513 178.619 176.094 0.019 0.000 1.053 314 V CA 1.745 64.084 62.300 0.065 0.000 1.027 314 V CB -0.525 31.433 31.823 0.226 0.000 0.646 314 V HN 0.451 nan 8.190 nan 0.000 0.447 315 E N -0.091 120.154 120.200 0.075 0.000 2.153 315 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 315 E C 2.201 178.800 176.600 -0.002 0.000 0.988 315 E CA 0.973 57.397 56.400 0.039 0.000 0.811 315 E CB -0.253 29.497 29.700 0.083 0.000 0.746 315 E HN 0.530 nan 8.360 nan 0.000 0.466 316 L N 0.553 121.769 121.223 -0.012 0.000 2.131 316 L HA -0.135 4.204 4.340 -0.000 0.000 0.210 316 L C 2.530 179.359 176.870 -0.069 0.000 1.092 316 L CA 0.888 55.711 54.840 -0.029 0.000 0.759 316 L CB -0.487 41.558 42.059 -0.023 0.000 0.903 316 L HN 0.058 nan 8.230 nan 0.000 0.435 317 A N 0.080 122.839 122.820 -0.100 0.000 1.978 317 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 317 A C 1.992 179.502 177.584 -0.125 0.000 1.170 317 A CA 1.406 53.352 52.037 -0.151 0.000 0.636 317 A CB -0.615 18.296 19.000 -0.148 0.000 0.810 317 A HN 0.447 nan 8.150 nan 0.000 0.448 318 L N -0.117 121.058 121.223 -0.081 0.000 2.629 318 L HA 0.117 4.457 4.340 -0.000 0.000 0.230 318 L C 0.375 177.215 176.870 -0.050 0.000 1.151 318 L CA -0.048 54.754 54.840 -0.063 0.000 0.924 318 L CB -0.997 41.031 42.059 -0.051 0.000 1.137 318 L HN 0.338 nan 8.230 nan 0.000 0.457 319 T N 0.000 114.522 114.554 -0.054 0.000 3.816 319 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 319 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 319 T CB 0.000 68.849 68.868 -0.032 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658