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 2ifg_1_A DATA FIRST_RESID 36 DATA SEQUENCE cPDAccPHGS SGLRcTRDGA LDSLHHLPGA ENLTELYIEN QQHLQHLELR DATA SEQUENCE DLRGLGELRN LTIVKSGLRF VAPDAFHFTP RLSRLNLSFN ALESLSWKTV DATA SEQUENCE QGLSLQELVL SGNPLHcScA LRWLQRWEEE GLGGVPEQKL QcHGQGPLAH DATA SEQUENCE MPNAScGVPT LKVQVPNASV DVGDDVLLRc QVEGRGLEQA GWILTELEQS DATA SEQUENCE ATVMKSGGLP SLGLTLANVT SDLNRKNVTc WAENDVGRAE VSVQVNVSFP DATA SEQUENCE ASVQLHTAVE MHHWcIPFSV DGQPAPSLRW LFNGSVLNET SFIFTEFLEP DATA SEQUENCE AANETVRHGc LRLNQPTHVN NGNYTLLAAN PFGQASASIM AAFMDNP 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 36 c HA 0.000 nan 4.570 nan 0.000 0.325 36 c C 0.000 174.088 174.090 -0.003 0.000 1.270 36 c CA 0.000 56.327 56.329 -0.004 0.000 1.963 36 c CB 0.000 42.508 42.510 -0.004 0.000 2.134 37 P HA 0.711 nan 4.420 nan 0.000 0.279 37 P C 0.097 177.396 177.300 -0.003 0.000 1.252 37 P CA 0.195 63.294 63.100 -0.001 0.000 0.811 37 P CB 0.928 32.628 31.700 -0.000 0.000 1.035 38 D N -1.085 119.313 120.400 -0.002 0.000 1.779 38 D HA -0.015 4.625 4.640 -0.001 0.000 0.814 38 D C -0.022 176.277 176.300 -0.001 0.000 0.417 38 D CA 0.615 54.613 54.000 -0.003 0.000 1.336 38 D CB -0.322 40.474 40.800 -0.006 0.000 1.059 38 D HN 0.319 nan 8.370 nan 0.000 0.370 39 A N 0.566 123.386 122.820 0.000 0.000 2.449 39 A HA 0.540 4.859 4.320 -0.001 0.000 0.238 39 A C 0.020 177.609 177.584 0.008 0.000 1.009 39 A CA 0.575 52.614 52.037 0.004 0.000 1.136 39 A CB -0.409 18.593 19.000 0.003 0.000 1.152 39 A HN 0.371 nan 8.150 nan 0.000 0.469 40 c N -2.698 115.907 118.600 0.007 0.000 3.228 40 c HA 0.370 4.940 4.570 -0.001 0.000 0.331 40 c C 0.899 174.997 174.090 0.014 0.000 1.418 40 c CA 0.651 56.989 56.329 0.014 0.000 1.163 40 c CB 0.674 43.193 42.510 0.015 0.000 1.557 40 c HN 2.168 nan 8.230 nan 0.000 0.418 41 c N -0.476 118.137 118.600 0.022 0.000 4.365 41 c HA -0.094 4.475 4.570 -0.001 0.000 0.299 41 c C -0.361 173.749 174.090 0.032 0.000 1.409 41 c CA 0.546 56.890 56.329 0.025 0.000 2.007 41 c CB -3.412 39.105 42.510 0.011 0.000 1.264 41 c HN 0.973 nan 8.230 nan 0.000 0.777 42 P HA -0.021 nan 4.420 nan 0.000 0.196 42 P C 1.373 178.727 177.300 0.090 0.000 1.065 42 P CA 1.731 64.850 63.100 0.032 0.000 0.803 42 P CB -0.334 31.366 31.700 -0.001 0.000 0.673 43 H N -0.190 118.841 119.070 -0.065 0.000 1.452 43 H HA -0.302 4.254 4.556 -0.001 0.000 0.090 43 H C 1.165 176.465 175.328 -0.046 0.000 0.988 43 H CA 2.521 58.526 56.048 -0.072 0.000 1.901 43 H CB -1.623 28.099 29.762 -0.067 0.000 2.257 43 H HN 0.589 nan 8.280 nan 0.000 0.961 44 G N -1.645 107.450 108.800 0.492 0.000 4.386 44 G HA2 0.069 4.029 3.960 -0.001 0.000 0.183 44 G HA3 0.069 4.029 3.960 -0.001 0.000 0.183 44 G C 0.479 175.420 174.900 0.069 0.000 1.226 44 G CA 0.775 46.008 45.100 0.221 0.000 0.926 44 G HN 0.785 nan 8.290 nan 0.000 0.306 45 S N 0.295 116.026 115.700 0.051 0.000 2.393 45 S HA 0.465 4.935 4.470 -0.001 0.000 0.255 45 S C 0.963 175.364 174.600 -0.331 0.000 1.210 45 S CA 0.529 58.670 58.200 -0.098 0.000 1.013 45 S CB 0.509 63.727 63.200 0.031 0.000 1.055 45 S HN 0.635 nan 8.310 nan 0.000 0.483 46 S N 0.866 116.428 115.700 -0.230 0.000 2.898 46 S HA 0.425 4.894 4.470 -0.001 0.000 0.324 46 S C -0.099 174.291 174.600 -0.350 0.000 1.171 46 S CA -0.207 57.871 58.200 -0.203 0.000 1.288 46 S CB -1.568 61.581 63.200 -0.085 0.000 1.490 46 S HN 0.787 nan 8.310 nan 0.000 0.570 47 G N 4.085 112.604 108.800 -0.468 0.000 2.761 47 G HA2 0.481 4.440 3.960 -0.001 0.000 0.296 47 G HA3 0.481 4.440 3.960 -0.001 0.000 0.296 47 G C -1.510 173.312 174.900 -0.131 0.000 1.416 47 G CA -0.756 44.092 45.100 -0.420 0.000 1.105 47 G HN 0.577 nan 8.290 nan 0.000 0.565 48 L N 2.495 123.734 121.223 0.027 0.000 2.295 48 L HA 0.531 4.871 4.340 -0.001 0.000 0.281 48 L C 0.215 177.163 176.870 0.129 0.000 1.018 48 L CA -0.653 54.225 54.840 0.063 0.000 0.841 48 L CB 1.399 43.489 42.059 0.051 0.000 1.218 48 L HN 0.349 nan 8.230 nan 0.000 0.424 49 R N 2.837 123.400 120.500 0.105 0.000 2.310 49 R HA 0.459 4.798 4.340 -0.001 0.000 0.324 49 R C -0.851 175.492 176.300 0.071 0.000 0.955 49 R CA -0.468 55.689 56.100 0.095 0.000 0.830 49 R CB 1.447 31.753 30.300 0.010 0.000 1.154 49 R HN 0.587 nan 8.270 nan 0.000 0.458 50 c N 2.093 120.751 118.600 0.096 0.000 3.359 50 c HA 0.147 4.717 4.570 -0.001 0.000 0.194 50 c C 0.637 174.772 174.090 0.075 0.000 1.659 50 c CA -0.786 55.583 56.329 0.066 0.000 1.338 50 c CB 0.013 42.557 42.510 0.058 0.000 2.109 50 c HN 0.733 nan 8.230 nan 0.000 0.518 51 T N 1.455 116.053 114.554 0.073 0.000 4.647 51 T HA 0.062 4.412 4.350 -0.001 0.000 0.224 51 T C 1.102 175.825 174.700 0.039 0.000 0.928 51 T CA 0.804 62.945 62.100 0.069 0.000 0.969 51 T CB -0.095 68.812 68.868 0.064 0.000 1.425 51 T HN 0.795 nan 8.240 nan 0.000 1.045 52 R N 0.827 121.350 120.500 0.038 0.000 4.870 52 R HA 0.315 4.654 4.340 -0.001 0.000 0.117 52 R C -0.992 175.326 176.300 0.029 0.000 0.874 52 R CA -0.029 56.087 56.100 0.027 0.000 0.913 52 R CB 0.823 31.134 30.300 0.020 0.000 1.441 52 R HN 0.365 nan 8.270 nan 0.000 0.411 53 D N -1.109 119.311 120.400 0.033 0.000 2.623 53 D HA 0.306 4.945 4.640 -0.001 0.000 0.241 53 D C -1.159 175.170 176.300 0.047 0.000 1.241 53 D CA -0.109 53.915 54.000 0.039 0.000 0.788 53 D CB 1.743 42.563 40.800 0.033 0.000 1.413 53 D HN 0.455 nan 8.370 nan 0.000 0.429 54 G N 0.340 109.181 108.800 0.068 0.000 2.115 54 G HA2 0.398 4.357 3.960 -0.001 0.000 0.244 54 G HA3 0.398 4.357 3.960 -0.001 0.000 0.244 54 G C 0.307 175.231 174.900 0.040 0.000 1.105 54 G CA 0.609 45.753 45.100 0.073 0.000 0.893 54 G HN 0.987 nan 8.290 nan 0.000 0.443 55 A N 2.626 125.455 122.820 0.016 0.000 2.898 55 A HA 0.309 4.628 4.320 -0.001 0.000 0.192 55 A C 0.976 178.533 177.584 -0.044 0.000 1.090 55 A CA -0.322 51.708 52.037 -0.012 0.000 1.273 55 A CB -0.352 18.644 19.000 -0.007 0.000 1.224 55 A HN 0.595 nan 8.150 nan 0.000 0.561 56 L N -0.707 120.489 121.223 -0.045 0.000 2.590 56 L HA 0.124 4.463 4.340 -0.001 0.000 0.227 56 L C 1.098 177.908 176.870 -0.100 0.000 1.099 56 L CA 0.062 54.838 54.840 -0.107 0.000 0.872 56 L CB -0.048 41.996 42.059 -0.025 0.000 1.088 56 L HN 0.281 nan 8.230 nan 0.000 0.479 57 D N 0.461 120.835 120.400 -0.044 0.000 2.354 57 D HA -0.112 4.528 4.640 -0.001 0.000 0.216 57 D C 0.989 177.260 176.300 -0.050 0.000 0.970 57 D CA 1.090 55.078 54.000 -0.020 0.000 0.905 57 D CB 0.264 41.035 40.800 -0.048 0.000 0.903 57 D HN 0.217 nan 8.370 nan 0.000 0.508 58 S N -0.380 115.266 115.700 -0.090 0.000 3.101 58 S HA 0.089 4.558 4.470 -0.001 0.000 0.252 58 S C 0.743 175.308 174.600 -0.059 0.000 0.920 58 S CA -0.402 57.730 58.200 -0.113 0.000 1.158 58 S CB 0.591 63.684 63.200 -0.178 0.000 1.125 58 S HN -0.005 nan 8.310 nan 0.000 0.608 59 L N 1.808 122.911 121.223 -0.201 0.000 2.629 59 L HA 0.385 4.724 4.340 -0.001 0.000 0.230 59 L C 0.895 177.585 176.870 -0.300 0.000 1.151 59 L CA 0.986 55.672 54.840 -0.258 0.000 0.924 59 L CB -0.360 41.514 42.059 -0.310 0.000 1.137 59 L HN 0.304 nan 8.230 nan 0.000 0.457 60 H N -3.263 115.887 119.070 0.134 0.000 3.058 60 H HA 0.235 4.791 4.556 -0.001 0.000 0.258 60 H C 1.324 176.648 175.328 -0.008 0.000 1.015 60 H CA 0.450 56.520 56.048 0.035 0.000 1.210 60 H CB 0.294 30.046 29.762 -0.017 0.000 1.481 60 H HN 0.391 nan 8.280 nan 0.000 0.492 61 H N 0.510 119.617 119.070 0.061 0.000 2.306 61 H HA 0.106 4.661 4.556 -0.000 0.000 0.307 61 H C 0.532 175.865 175.328 0.009 0.000 1.061 61 H CA 0.775 56.842 56.048 0.031 0.000 1.359 61 H CB 0.491 30.265 29.762 0.019 0.000 1.407 61 H HN 0.020 nan 8.280 nan 0.000 0.517 62 L N 2.702 124.009 121.223 0.141 0.000 2.594 62 L HA 0.310 4.650 4.340 -0.001 0.000 0.245 62 L C -1.959 174.927 176.870 0.027 0.000 1.460 62 L CA -1.164 53.713 54.840 0.061 0.000 0.865 62 L CB 0.891 42.978 42.059 0.046 0.000 1.131 62 L HN 0.041 nan 8.230 nan 0.000 0.506 63 P HA 0.275 nan 4.420 nan 0.000 0.217 63 P C 0.833 178.132 177.300 -0.002 0.000 1.154 63 P CA 1.467 64.566 63.100 -0.002 0.000 0.841 63 P CB 0.783 32.480 31.700 -0.004 0.000 0.790 64 G N -0.377 108.423 108.800 0.001 0.000 3.033 64 G HA2 0.137 4.096 3.960 -0.001 0.000 0.196 64 G HA3 0.137 4.096 3.960 -0.001 0.000 0.196 64 G C -0.005 174.891 174.900 -0.006 0.000 1.078 64 G CA 0.050 45.148 45.100 -0.003 0.000 0.805 64 G HN 0.726 nan 8.290 nan 0.000 0.472 65 A N 0.012 122.827 122.820 -0.008 0.000 2.550 65 A HA 0.686 5.006 4.320 -0.001 0.000 0.282 65 A C 0.427 178.003 177.584 -0.012 0.000 1.071 65 A CA 0.707 52.736 52.037 -0.012 0.000 0.838 65 A CB 0.976 19.966 19.000 -0.016 0.000 1.361 65 A HN 0.170 nan 8.150 nan 0.000 0.408 66 E N 1.024 121.215 120.200 -0.015 0.000 2.169 66 E HA -0.215 4.135 4.350 -0.001 0.000 0.202 66 E C 0.968 177.558 176.600 -0.018 0.000 1.016 66 E CA 1.949 58.337 56.400 -0.020 0.000 0.817 66 E CB -0.137 29.543 29.700 -0.034 0.000 0.736 66 E HN 0.772 nan 8.360 nan 0.000 0.462 67 N N -0.195 118.495 118.700 -0.017 0.000 2.444 67 N HA 0.353 5.093 4.740 -0.001 0.000 0.255 67 N C -0.167 175.335 175.510 -0.014 0.000 1.255 67 N CA 0.063 53.104 53.050 -0.015 0.000 0.933 67 N CB 0.450 38.928 38.487 -0.016 0.000 1.143 67 N HN 0.129 nan 8.380 nan 0.000 0.453 68 L N -3.010 118.206 121.223 -0.011 0.000 2.866 68 L HA 0.461 4.800 4.340 -0.001 0.000 0.298 68 L C -0.650 176.219 176.870 -0.001 0.000 0.848 68 L CA -0.872 53.959 54.840 -0.015 0.000 1.088 68 L CB 0.898 42.960 42.059 0.005 0.000 1.661 68 L HN 0.456 nan 8.230 nan 0.000 0.343 69 T N -1.899 112.665 114.554 0.017 0.000 3.310 69 T HA 0.193 4.543 4.350 -0.001 0.000 0.266 69 T C -0.489 174.258 174.700 0.079 0.000 0.842 69 T CA 0.030 62.153 62.100 0.038 0.000 0.815 69 T CB 0.475 69.358 68.868 0.025 0.000 1.247 69 T HN 0.656 nan 8.240 nan 0.000 0.697 70 E N 1.049 121.319 120.200 0.116 0.000 2.275 70 E HA 0.603 4.953 4.350 -0.001 0.000 0.270 70 E C -1.597 175.157 176.600 0.257 0.000 0.882 70 E CA -0.465 56.068 56.400 0.222 0.000 0.758 70 E CB 2.695 32.646 29.700 0.417 0.000 1.195 70 E HN 0.138 nan 8.360 nan 0.000 0.419 71 L N 3.530 124.869 121.223 0.194 0.000 2.372 71 L HA 0.429 4.769 4.340 -0.001 0.000 0.274 71 L C -1.446 175.506 176.870 0.137 0.000 0.988 71 L CA -0.862 54.097 54.840 0.198 0.000 0.833 71 L CB 0.947 43.075 42.059 0.116 0.000 1.236 71 L HN 0.532 nan 8.230 nan 0.000 0.410 72 Y N 4.774 125.114 120.300 0.066 0.000 2.402 72 Y HA 0.414 4.963 4.550 -0.001 0.000 0.332 72 Y C 0.594 176.522 175.900 0.047 0.000 0.960 72 Y CA -0.537 57.595 58.100 0.053 0.000 1.228 72 Y CB 1.107 39.593 38.460 0.043 0.000 1.120 72 Y HN 0.419 nan 8.280 nan 0.000 0.491 73 I N 2.687 123.324 120.570 0.112 0.000 3.326 73 I HA 0.183 4.352 4.170 -0.001 0.000 0.336 73 I C -0.221 175.939 176.117 0.072 0.000 1.543 73 I CA -0.275 61.081 61.300 0.093 0.000 1.013 73 I CB 0.085 38.133 38.000 0.081 0.000 1.468 73 I HN 0.515 nan 8.210 nan 0.000 0.515 74 E N 1.588 121.833 120.200 0.075 0.000 2.415 74 E HA 0.073 4.423 4.350 -0.001 0.000 0.262 74 E C 0.003 176.633 176.600 0.049 0.000 1.038 74 E CA -0.113 56.317 56.400 0.051 0.000 0.921 74 E CB 0.167 29.894 29.700 0.046 0.000 0.950 74 E HN 0.249 nan 8.360 nan 0.000 0.438 75 N N 2.207 120.931 118.700 0.039 0.000 2.394 75 N HA -0.212 4.527 4.740 -0.001 0.000 0.288 75 N C -1.772 173.761 175.510 0.039 0.000 1.501 75 N CA 0.799 53.870 53.050 0.034 0.000 0.707 75 N CB -0.147 38.354 38.487 0.023 0.000 0.936 75 N HN 0.525 nan 8.380 nan 0.000 0.475 76 Q N 1.276 121.098 119.800 0.037 0.000 2.507 76 Q HA 0.067 4.406 4.340 -0.001 0.000 0.242 76 Q C 0.005 176.022 176.000 0.028 0.000 0.911 76 Q CA -0.707 55.120 55.803 0.041 0.000 1.019 76 Q CB 0.994 29.768 28.738 0.060 0.000 1.523 76 Q HN 0.548 nan 8.270 nan 0.000 0.459 77 Q N 0.665 120.467 119.800 0.004 0.000 1.927 77 Q HA -0.132 4.208 4.340 -0.001 0.000 0.210 77 Q C 0.952 176.918 176.000 -0.057 0.000 1.001 77 Q CA 1.736 57.505 55.803 -0.057 0.000 0.862 77 Q CB -0.143 28.520 28.738 -0.125 0.000 0.934 77 Q HN 0.505 nan 8.270 nan 0.000 0.420 78 H N -0.867 118.208 119.070 0.009 0.000 2.041 78 H HA 0.002 4.557 4.556 -0.001 0.000 0.357 78 H C 0.242 175.574 175.328 0.007 0.000 2.137 78 H CA 0.824 56.876 56.048 0.006 0.000 1.356 78 H CB -0.426 29.343 29.762 0.012 0.000 1.591 78 H HN 0.269 nan 8.280 nan 0.000 0.486 79 L N 1.057 122.396 121.223 0.192 0.000 3.272 79 L HA -0.207 4.133 4.340 -0.001 0.000 0.701 79 L C 0.757 177.655 176.870 0.046 0.000 1.155 79 L CA 0.714 55.613 54.840 0.098 0.000 1.249 79 L CB -0.671 41.443 42.059 0.091 0.000 1.796 79 L HN 0.721 nan 8.230 nan 0.000 0.896 80 Q N 1.467 121.260 119.800 -0.011 0.000 2.287 80 Q HA 0.223 4.563 4.340 -0.001 0.000 0.201 80 Q C 0.120 176.003 176.000 -0.196 0.000 0.946 80 Q CA 1.320 57.031 55.803 -0.153 0.000 0.868 80 Q CB 0.408 28.952 28.738 -0.323 0.000 0.967 80 Q HN 0.709 nan 8.270 nan 0.000 0.516 81 H N 0.969 120.078 119.070 0.064 0.000 2.623 81 H HA 0.264 4.820 4.556 -0.001 0.000 0.299 81 H C -0.994 174.355 175.328 0.036 0.000 1.052 81 H CA -0.766 55.314 56.048 0.054 0.000 1.231 81 H CB 0.695 30.449 29.762 -0.013 0.000 1.389 81 H HN 0.148 nan 8.280 nan 0.000 0.469 82 L N 4.749 126.049 121.223 0.129 0.000 2.315 82 L HA 0.192 4.531 4.340 -0.001 0.000 0.283 82 L C 0.431 177.299 176.870 -0.005 0.000 1.089 82 L CA 0.009 54.874 54.840 0.042 0.000 0.833 82 L CB 0.124 42.180 42.059 -0.006 0.000 1.170 82 L HN 0.724 nan 8.230 nan 0.000 0.442 83 E N 3.226 123.417 120.200 -0.015 0.000 2.431 83 E HA 0.238 4.588 4.350 -0.001 0.000 0.268 83 E C 0.288 176.855 176.600 -0.054 0.000 0.953 83 E CA -0.895 55.474 56.400 -0.051 0.000 0.810 83 E CB 0.767 30.450 29.700 -0.027 0.000 1.369 83 E HN 0.395 nan 8.360 nan 0.000 0.440 84 L N 0.779 121.957 121.223 -0.074 0.000 2.187 84 L HA -0.088 4.252 4.340 -0.001 0.000 0.213 84 L C 2.185 179.114 176.870 0.099 0.000 1.100 84 L CA 1.723 56.534 54.840 -0.048 0.000 0.765 84 L CB -0.461 41.498 42.059 -0.167 0.000 0.904 84 L HN 0.646 nan 8.230 nan 0.000 0.437 85 R N -0.484 120.041 120.500 0.042 0.000 2.276 85 R HA -0.076 4.263 4.340 -0.001 0.000 0.203 85 R C 1.011 177.298 176.300 -0.021 0.000 1.017 85 R CA 1.080 57.197 56.100 0.029 0.000 1.010 85 R CB -0.349 29.953 30.300 0.005 0.000 0.900 85 R HN 0.496 nan 8.270 nan 0.000 0.469 86 D N -0.048 120.372 120.400 0.032 0.000 2.333 86 D HA -0.028 4.612 4.640 -0.001 0.000 0.208 86 D C 0.674 177.042 176.300 0.114 0.000 0.984 86 D CA 0.441 54.491 54.000 0.084 0.000 0.873 86 D CB 0.472 41.327 40.800 0.090 0.000 0.935 86 D HN 0.153 nan 8.370 nan 0.000 0.521 87 L N 0.317 121.602 121.223 0.102 0.000 2.910 87 L HA 0.168 4.508 4.340 -0.001 0.000 0.252 87 L C 0.695 177.560 176.870 -0.009 0.000 1.195 87 L CA -0.248 54.676 54.840 0.140 0.000 1.003 87 L CB 0.186 42.375 42.059 0.217 0.000 1.328 87 L HN -0.295 nan 8.230 nan 0.000 0.540 88 R N 1.824 122.207 120.500 -0.195 0.000 2.842 88 R HA 0.335 4.675 4.340 -0.001 0.000 0.260 88 R C 0.553 176.530 176.300 -0.540 0.000 1.495 88 R CA 0.371 56.165 56.100 -0.509 0.000 1.024 88 R CB -0.897 29.168 30.300 -0.392 0.000 1.147 88 R HN 0.258 nan 8.270 nan 0.000 0.553 89 G N 3.769 112.199 108.800 -0.616 0.000 4.918 89 G HA2 0.060 4.020 3.960 -0.001 0.000 0.220 89 G HA3 0.060 4.020 3.960 -0.001 0.000 0.220 89 G C -0.505 174.218 174.900 -0.294 0.000 2.090 89 G CA -0.790 44.118 45.100 -0.320 0.000 0.632 89 G HN 0.475 nan 8.290 nan 0.000 0.234 90 L N 0.885 121.838 121.223 -0.449 0.000 4.421 90 L HA -0.144 4.196 4.340 -0.001 0.000 0.463 90 L C 1.301 178.116 176.870 -0.092 0.000 1.120 90 L CA 0.947 55.653 54.840 -0.224 0.000 0.782 90 L CB -0.705 41.265 42.059 -0.149 0.000 1.179 90 L HN 0.414 nan 8.230 nan 0.000 0.674 91 G N 1.808 110.585 108.800 -0.038 0.000 2.509 91 G HA2 0.522 4.482 3.960 -0.001 0.000 0.328 91 G HA3 0.522 4.482 3.960 -0.001 0.000 0.328 91 G C -0.326 174.587 174.900 0.023 0.000 1.194 91 G CA -0.307 44.792 45.100 -0.001 0.000 0.967 91 G HN 0.459 nan 8.290 nan 0.000 0.488 92 E N 0.349 120.561 120.200 0.020 0.000 3.588 92 E HA 0.258 4.608 4.350 -0.001 0.000 0.213 92 E C -0.592 176.024 176.600 0.028 0.000 1.168 92 E CA -0.576 55.838 56.400 0.022 0.000 1.254 92 E CB -0.105 29.602 29.700 0.012 0.000 1.302 92 E HN 0.386 nan 8.360 nan 0.000 0.429 93 L N 1.887 123.134 121.223 0.041 0.000 2.334 93 L HA 0.516 4.856 4.340 -0.001 0.000 0.277 93 L C 0.650 177.541 176.870 0.035 0.000 1.075 93 L CA -0.317 54.550 54.840 0.046 0.000 0.804 93 L CB 0.863 42.960 42.059 0.064 0.000 1.174 93 L HN 0.316 nan 8.230 nan 0.000 0.438 94 R N 1.895 122.414 120.500 0.033 0.000 2.316 94 R HA 0.280 4.620 4.340 -0.001 0.000 0.201 94 R C -0.549 175.758 176.300 0.012 0.000 0.888 94 R CA -0.188 55.924 56.100 0.021 0.000 1.041 94 R CB 0.416 30.732 30.300 0.028 0.000 1.115 94 R HN 0.571 nan 8.270 nan 0.000 0.559 95 N N 1.116 119.829 118.700 0.022 0.000 2.399 95 N HA 0.253 4.993 4.740 -0.001 0.000 0.284 95 N C -1.808 173.672 175.510 -0.051 0.000 1.025 95 N CA -0.514 52.528 53.050 -0.014 0.000 0.885 95 N CB 2.646 41.146 38.487 0.022 0.000 1.339 95 N HN -0.084 nan 8.380 nan 0.000 0.487 96 L N 1.589 122.760 121.223 -0.087 0.000 2.404 96 L HA 0.523 4.863 4.340 -0.001 0.000 0.272 96 L C -0.839 175.954 176.870 -0.127 0.000 0.980 96 L CA -0.109 54.688 54.840 -0.071 0.000 0.836 96 L CB 1.696 43.779 42.059 0.041 0.000 1.238 96 L HN 0.403 nan 8.230 nan 0.000 0.408 97 T N 6.791 121.206 114.554 -0.231 0.000 2.756 97 T HA 0.543 4.893 4.350 -0.001 0.000 0.290 97 T C 0.648 175.313 174.700 -0.059 0.000 0.985 97 T CA 0.016 61.993 62.100 -0.205 0.000 0.955 97 T CB 0.668 69.277 68.868 -0.431 0.000 0.930 97 T HN 0.528 nan 8.240 nan 0.000 0.451 98 I N 2.926 123.502 120.570 0.010 0.000 3.491 98 I HA 0.210 4.380 4.170 -0.001 0.000 0.332 98 I C 0.531 176.688 176.117 0.066 0.000 1.565 98 I CA -0.276 61.058 61.300 0.057 0.000 1.050 98 I CB 0.743 38.801 38.000 0.096 0.000 1.348 98 I HN 0.359 nan 8.210 nan 0.000 0.506 99 V N 2.145 122.092 119.914 0.054 0.000 3.185 99 V HA 0.274 4.394 4.120 -0.001 0.000 0.305 99 V C 0.375 176.514 176.094 0.075 0.000 1.090 99 V CA -0.068 62.285 62.300 0.088 0.000 1.107 99 V CB 0.684 32.546 31.823 0.065 0.000 1.061 99 V HN 0.458 nan 8.190 nan 0.000 0.480 100 K N 3.380 123.845 120.400 0.108 0.000 6.012 100 K HA -0.120 4.200 4.320 -0.001 0.000 0.567 100 K C -0.287 176.351 176.600 0.064 0.000 1.451 100 K CA 1.147 57.483 56.287 0.082 0.000 1.465 100 K CB -1.597 30.924 32.500 0.035 0.000 1.828 100 K HN 0.993 nan 8.250 nan 0.000 0.335 101 S N -0.968 114.770 115.700 0.062 0.000 2.636 101 S HA 0.416 4.886 4.470 -0.001 0.000 0.266 101 S C 0.936 175.559 174.600 0.038 0.000 1.116 101 S CA -0.358 57.871 58.200 0.048 0.000 0.893 101 S CB 0.922 64.156 63.200 0.056 0.000 1.171 101 S HN 0.546 nan 8.310 nan 0.000 0.482 102 G N 0.138 108.955 108.800 0.028 0.000 2.595 102 G HA2 0.214 4.174 3.960 -0.001 0.000 0.213 102 G HA3 0.214 4.174 3.960 -0.001 0.000 0.213 102 G C 0.524 175.434 174.900 0.018 0.000 1.141 102 G CA 0.044 45.152 45.100 0.013 0.000 0.806 102 G HN 0.676 nan 8.290 nan 0.000 0.530 103 L N 1.515 122.757 121.223 0.031 0.000 3.852 103 L HA -0.163 4.176 4.340 -0.001 0.000 0.340 103 L C 1.661 178.559 176.870 0.047 0.000 0.980 103 L CA 0.546 55.413 54.840 0.045 0.000 1.012 103 L CB -0.504 41.590 42.059 0.059 0.000 1.632 103 L HN 0.297 nan 8.230 nan 0.000 0.473 104 R N 2.414 122.962 120.500 0.080 0.000 2.128 104 R HA 0.183 4.523 4.340 -0.001 0.000 0.211 104 R C -0.097 176.240 176.300 0.062 0.000 1.067 104 R CA 0.330 56.487 56.100 0.096 0.000 1.010 104 R CB 0.293 30.731 30.300 0.229 0.000 0.922 104 R HN 0.447 nan 8.270 nan 0.000 0.457 105 F N -0.287 119.676 119.950 0.022 0.000 2.546 105 F HA 0.407 4.934 4.527 -0.001 0.000 0.320 105 F C -0.509 175.328 175.800 0.062 0.000 1.076 105 F CA -1.046 57.003 58.000 0.081 0.000 0.928 105 F CB 2.335 41.455 39.000 0.199 0.000 1.189 105 F HN -0.392 nan 8.300 nan 0.000 0.465 106 V N 2.862 122.884 119.914 0.179 0.000 2.380 106 V HA 0.499 4.619 4.120 -0.001 0.000 0.268 106 V C 0.049 176.161 176.094 0.030 0.000 1.008 106 V CA -1.266 61.074 62.300 0.067 0.000 0.823 106 V CB 0.764 32.602 31.823 0.026 0.000 1.053 106 V HN 0.954 nan 8.190 nan 0.000 0.446 107 A N 6.670 129.510 122.820 0.033 0.000 2.598 107 A HA 0.230 4.549 4.320 -0.001 0.000 0.239 107 A C -1.478 176.062 177.584 -0.074 0.000 1.032 107 A CA -0.252 51.779 52.037 -0.010 0.000 0.760 107 A CB -0.179 18.797 19.000 -0.040 0.000 0.946 107 A HN 0.607 nan 8.150 nan 0.000 0.512 108 P HA 0.049 nan 4.420 nan 0.000 0.252 108 P C -0.439 176.775 177.300 -0.144 0.000 1.635 108 P CA 0.836 63.869 63.100 -0.112 0.000 1.206 108 P CB 0.608 32.252 31.700 -0.093 0.000 1.911 109 D N 1.938 122.241 120.400 -0.161 0.000 1.697 109 D HA -0.085 4.555 4.640 -0.001 0.000 0.521 109 D C 1.577 177.768 176.300 -0.182 0.000 1.190 109 D CA 0.991 54.880 54.000 -0.185 0.000 1.081 109 D CB -0.797 39.879 40.800 -0.207 0.000 2.624 109 D HN 0.027 nan 8.370 nan 0.000 0.313 110 A N 1.127 123.789 122.820 -0.263 0.000 2.444 110 A HA -0.324 3.996 4.320 -0.001 0.000 0.267 110 A C 1.480 178.886 177.584 -0.298 0.000 2.810 110 A CA 2.979 54.775 52.037 -0.401 0.000 1.029 110 A CB -2.156 16.348 19.000 -0.827 0.000 0.520 110 A HN 0.447 nan 8.150 nan 0.000 0.443 111 F N 0.204 120.165 119.950 0.020 0.000 2.678 111 F HA 0.035 4.562 4.527 -0.001 0.000 0.298 111 F C 1.607 177.422 175.800 0.025 0.000 1.337 111 F CA 1.161 59.180 58.000 0.031 0.000 1.460 111 F CB -1.438 37.565 39.000 0.005 0.000 1.106 111 F HN 0.619 nan 8.300 nan 0.000 0.562 112 H N -0.739 118.300 119.070 -0.052 0.000 2.395 112 H HA -0.090 4.465 4.556 -0.000 0.000 0.299 112 H C 1.899 177.165 175.328 -0.104 0.000 1.070 112 H CA 1.537 57.497 56.048 -0.148 0.000 1.356 112 H CB -0.158 29.405 29.762 -0.331 0.000 1.401 112 H HN 0.157 nan 8.280 nan 0.000 0.524 113 F N 0.510 120.452 119.950 -0.013 0.000 2.039 113 F HA -0.066 4.460 4.527 -0.001 0.000 0.294 113 F C 1.588 177.362 175.800 -0.043 0.000 1.130 113 F CA 1.626 59.584 58.000 -0.070 0.000 1.189 113 F CB -1.187 37.807 39.000 -0.010 0.000 0.983 113 F HN 0.048 nan 8.300 nan 0.000 0.471 114 T N 3.682 118.387 114.554 0.252 0.000 2.751 114 T HA 0.024 4.374 4.350 -0.001 0.000 0.279 114 T C -1.122 173.634 174.700 0.092 0.000 0.941 114 T CA -1.300 60.894 62.100 0.156 0.000 1.192 114 T CB 0.455 69.430 68.868 0.179 0.000 0.883 114 T HN -0.012 nan 8.240 nan 0.000 0.534 115 P HA -0.036 nan 4.420 nan 0.000 0.217 115 P C 1.403 178.710 177.300 0.013 0.000 1.154 115 P CA 0.551 63.658 63.100 0.012 0.000 0.841 115 P CB 0.352 32.053 31.700 0.003 0.000 0.788 116 R N -0.088 120.422 120.500 0.016 0.000 1.966 116 R HA 0.194 4.533 4.340 -0.001 0.000 0.170 116 R C 0.940 177.240 176.300 -0.001 0.000 1.036 116 R CA -0.267 55.838 56.100 0.008 0.000 1.316 116 R CB -1.493 28.813 30.300 0.011 0.000 0.696 116 R HN 0.158 nan 8.270 nan 0.000 0.572 117 L N 1.144 122.364 121.223 -0.005 0.000 2.883 117 L HA -0.227 4.112 4.340 -0.001 0.000 0.559 117 L C 0.704 177.553 176.870 -0.035 0.000 1.001 117 L CA 0.433 55.252 54.840 -0.035 0.000 1.291 117 L CB -0.158 41.850 42.059 -0.085 0.000 1.557 117 L HN 0.754 nan 8.230 nan 0.000 0.761 118 S N 2.709 118.395 115.700 -0.024 0.000 2.564 118 S HA 0.303 4.772 4.470 -0.001 0.000 0.231 118 S C 0.525 175.120 174.600 -0.007 0.000 1.067 118 S CA -0.373 57.822 58.200 -0.008 0.000 0.908 118 S CB 0.542 63.743 63.200 0.002 0.000 0.809 118 S HN 0.663 nan 8.310 nan 0.000 0.491 119 R N 0.768 121.253 120.500 -0.025 0.000 2.502 119 R HA 0.651 4.990 4.340 -0.001 0.000 0.300 119 R C -2.107 174.153 176.300 -0.067 0.000 0.984 119 R CA -0.651 55.434 56.100 -0.025 0.000 0.882 119 R CB 1.952 32.246 30.300 -0.009 0.000 1.180 119 R HN 0.296 nan 8.270 nan 0.000 0.444 120 L N 2.790 123.968 121.223 -0.075 0.000 2.404 120 L HA 0.463 4.803 4.340 -0.001 0.000 0.272 120 L C -1.338 175.505 176.870 -0.045 0.000 0.980 120 L CA -0.436 54.336 54.840 -0.113 0.000 0.836 120 L CB 1.717 43.622 42.059 -0.257 0.000 1.238 120 L HN 0.539 nan 8.230 nan 0.000 0.408 121 N N 5.763 124.443 118.700 -0.033 0.000 2.511 121 N HA 0.352 5.091 4.740 -0.001 0.000 0.249 121 N C -0.511 175.020 175.510 0.035 0.000 0.971 121 N CA -0.305 52.746 53.050 0.001 0.000 0.938 121 N CB 1.138 39.612 38.487 -0.023 0.000 1.131 121 N HN 0.873 nan 8.380 nan 0.000 0.505 122 L N 1.872 123.135 121.223 0.066 0.000 2.910 122 L HA 0.165 4.505 4.340 -0.001 0.000 0.252 122 L C 1.133 178.062 176.870 0.098 0.000 1.195 122 L CA -0.290 54.604 54.840 0.090 0.000 1.003 122 L CB -0.127 41.997 42.059 0.110 0.000 1.328 122 L HN 0.441 nan 8.230 nan 0.000 0.540 123 S N -0.671 115.107 115.700 0.130 0.000 2.611 123 S HA 0.079 4.549 4.470 -0.001 0.000 0.252 123 S C 0.320 175.111 174.600 0.320 0.000 1.369 123 S CA -0.500 57.828 58.200 0.214 0.000 0.975 123 S CB -0.127 63.289 63.200 0.360 0.000 0.937 123 S HN 0.164 nan 8.310 nan 0.000 0.584 124 F N 1.088 121.038 119.950 0.001 0.000 2.216 124 F HA -0.132 4.395 4.527 -0.001 0.000 0.154 124 F C 0.775 176.576 175.800 0.001 0.000 1.017 124 F CA 1.098 59.099 58.000 0.001 0.000 0.773 124 F CB -1.727 37.276 39.000 0.006 0.000 0.745 124 F HN 0.814 nan 8.300 nan 0.000 0.795 125 N N 0.737 119.494 118.700 0.096 0.000 3.680 125 N HA 0.776 5.516 4.740 -0.001 0.000 0.336 125 N C -0.553 174.963 175.510 0.010 0.000 1.502 125 N CA 0.139 53.226 53.050 0.062 0.000 0.658 125 N CB 1.129 39.652 38.487 0.061 0.000 3.070 125 N HN 0.120 nan 8.380 nan 0.000 0.554 126 A N 0.898 123.715 122.820 -0.006 0.000 2.676 126 A HA 0.361 4.680 4.320 -0.001 0.000 0.258 126 A C -1.181 176.365 177.584 -0.064 0.000 0.898 126 A CA -0.255 51.759 52.037 -0.038 0.000 1.087 126 A CB -0.099 18.890 19.000 -0.019 0.000 1.214 126 A HN 0.262 nan 8.150 nan 0.000 0.474 127 L N 1.026 122.209 121.223 -0.067 0.000 2.315 127 L HA 0.340 4.679 4.340 -0.001 0.000 0.283 127 L C 1.308 178.092 176.870 -0.143 0.000 1.089 127 L CA 0.381 55.162 54.840 -0.099 0.000 0.833 127 L CB 0.911 42.941 42.059 -0.049 0.000 1.170 127 L HN 0.608 nan 8.230 nan 0.000 0.442 128 E N 1.902 121.967 120.200 -0.225 0.000 2.371 128 E HA 0.039 4.389 4.350 -0.001 0.000 0.194 128 E C 0.108 176.632 176.600 -0.128 0.000 1.012 128 E CA 0.261 56.542 56.400 -0.197 0.000 0.860 128 E CB 0.512 30.056 29.700 -0.261 0.000 0.811 128 E HN 0.523 nan 8.360 nan 0.000 0.502 129 S N -1.405 114.206 115.700 -0.148 0.000 2.622 129 S HA 0.404 4.873 4.470 -0.001 0.000 0.275 129 S C -2.481 172.108 174.600 -0.018 0.000 1.112 129 S CA -0.866 57.303 58.200 -0.051 0.000 0.837 129 S CB 0.245 63.422 63.200 -0.038 0.000 1.082 129 S HN 0.069 nan 8.310 nan 0.000 0.456 130 L N 3.426 124.711 121.223 0.104 0.000 2.345 130 L HA 0.660 4.999 4.340 -0.001 0.000 0.274 130 L C 0.147 177.150 176.870 0.221 0.000 0.999 130 L CA 0.175 55.116 54.840 0.168 0.000 0.849 130 L CB 1.154 43.372 42.059 0.264 0.000 1.220 130 L HN 0.699 nan 8.230 nan 0.000 0.422 131 S N 3.064 118.813 115.700 0.082 0.000 2.537 131 S HA -0.137 4.332 4.470 -0.001 0.000 0.280 131 S C 0.621 175.127 174.600 -0.157 0.000 1.335 131 S CA 0.690 58.906 58.200 0.027 0.000 1.025 131 S CB 0.154 63.344 63.200 -0.017 0.000 0.836 131 S HN 0.868 nan 8.310 nan 0.000 0.523 132 W N 3.088 124.165 121.300 -0.373 0.000 2.380 132 W HA -0.083 4.577 4.660 -0.001 0.000 0.317 132 W C 2.154 178.274 176.519 -0.666 0.000 1.196 132 W CA 1.319 58.190 57.345 -0.789 0.000 1.307 132 W CB -0.695 28.496 29.460 -0.448 0.000 1.157 132 W HN 0.674 nan 8.180 nan 0.000 0.483 133 K N 0.567 120.432 120.400 -0.892 0.000 2.089 133 K HA -0.213 4.107 4.320 -0.001 0.000 0.210 133 K C 1.979 178.158 176.600 -0.702 0.000 1.048 133 K CA 2.765 58.417 56.287 -1.058 0.000 0.926 133 K CB -1.084 31.095 32.500 -0.535 0.000 0.714 133 K HN 0.221 nan 8.250 nan 0.000 0.448 134 T N 0.169 114.451 114.554 -0.452 0.000 2.412 134 T HA -0.323 4.027 4.350 -0.001 0.000 0.228 134 T C 1.700 176.298 174.700 -0.169 0.000 1.426 134 T CA 2.771 64.739 62.100 -0.219 0.000 1.096 134 T CB -0.989 67.790 68.868 -0.149 0.000 0.834 134 T HN 0.076 nan 8.240 nan 0.000 0.439 135 V N 0.571 120.256 119.914 -0.382 0.000 2.214 135 V HA -0.150 3.969 4.120 -0.001 0.000 0.247 135 V C 1.400 177.375 176.094 -0.199 0.000 1.051 135 V CA 1.786 63.929 62.300 -0.262 0.000 1.003 135 V CB -0.589 31.041 31.823 -0.321 0.000 0.635 135 V HN 0.637 nan 8.190 nan 0.000 0.447 136 Q N -0.382 119.214 119.800 -0.341 0.000 2.464 136 Q HA -0.173 4.166 4.340 -0.001 0.000 0.304 136 Q C 0.570 176.508 176.000 -0.103 0.000 1.401 136 Q CA 0.952 56.589 55.803 -0.277 0.000 0.806 136 Q CB -1.769 26.828 28.738 -0.235 0.000 1.134 136 Q HN 1.290 nan 8.270 nan 0.000 0.411 137 G N 1.009 109.796 108.800 -0.022 0.000 2.193 137 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.232 137 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.232 137 G C 0.633 175.542 174.900 0.015 0.000 0.628 137 G CA 0.513 45.633 45.100 0.034 0.000 1.056 137 G HN 0.506 nan 8.290 nan 0.000 0.328 138 L N 0.720 121.962 121.223 0.032 0.000 2.906 138 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 138 L C 1.663 178.541 176.870 0.012 0.000 1.166 138 L CA 0.308 55.154 54.840 0.008 0.000 0.977 138 L CB 0.144 42.193 42.059 -0.017 0.000 1.313 138 L HN 0.591 nan 8.230 nan 0.000 0.549 139 S N 0.593 116.306 115.700 0.021 0.000 3.380 139 S HA -0.189 4.280 4.470 -0.001 0.000 0.300 139 S C 0.429 175.036 174.600 0.013 0.000 1.255 139 S CA 0.309 58.509 58.200 0.001 0.000 0.963 139 S CB -1.491 61.705 63.200 -0.007 0.000 1.106 139 S HN 0.352 nan 8.310 nan 0.000 0.629 140 L N 2.154 123.406 121.223 0.049 0.000 2.700 140 L HA -0.018 4.322 4.340 -0.001 0.000 0.276 140 L C 1.296 178.210 176.870 0.074 0.000 1.200 140 L CA 1.227 56.104 54.840 0.062 0.000 0.951 140 L CB 0.234 42.363 42.059 0.118 0.000 1.226 140 L HN 0.313 nan 8.230 nan 0.000 0.489 141 Q N 3.061 122.885 119.800 0.039 0.000 2.204 141 Q HA 0.127 4.467 4.340 -0.001 0.000 0.198 141 Q C -0.336 175.700 176.000 0.060 0.000 0.946 141 Q CA 0.879 56.698 55.803 0.027 0.000 0.859 141 Q CB 0.385 29.129 28.738 0.010 0.000 0.946 141 Q HN 0.704 nan 8.270 nan 0.000 0.474 142 E N 0.717 120.958 120.200 0.068 0.000 2.256 142 E HA 0.432 4.782 4.350 -0.001 0.000 0.268 142 E C -1.703 174.947 176.600 0.084 0.000 0.877 142 E CA -0.605 55.842 56.400 0.078 0.000 0.757 142 E CB 2.348 32.075 29.700 0.045 0.000 1.183 142 E HN -0.110 nan 8.360 nan 0.000 0.418 143 L N 3.210 124.502 121.223 0.116 0.000 2.406 143 L HA 0.350 4.690 4.340 -0.001 0.000 0.270 143 L C -1.632 175.272 176.870 0.057 0.000 0.982 143 L CA -0.775 54.114 54.840 0.083 0.000 0.843 143 L CB 1.697 43.830 42.059 0.123 0.000 1.225 143 L HN 0.330 nan 8.230 nan 0.000 0.412 144 V N 6.829 126.767 119.914 0.040 0.000 2.364 144 V HA 0.430 4.550 4.120 -0.001 0.000 0.272 144 V C 0.028 176.144 176.094 0.037 0.000 1.036 144 V CA -0.285 62.041 62.300 0.044 0.000 0.880 144 V CB 1.145 33.006 31.823 0.064 0.000 0.991 144 V HN 0.605 nan 8.190 nan 0.000 0.460 145 L N 4.919 126.147 121.223 0.008 0.000 2.433 145 L HA 0.548 4.888 4.340 -0.001 0.000 0.256 145 L C -0.085 176.759 176.870 -0.043 0.000 1.063 145 L CA 0.259 55.093 54.840 -0.011 0.000 0.922 145 L CB 1.233 43.268 42.059 -0.040 0.000 1.238 145 L HN 0.633 nan 8.230 nan 0.000 0.466 146 S N -0.010 115.666 115.700 -0.041 0.000 2.661 146 S HA 0.653 5.123 4.470 -0.001 0.000 0.285 146 S C 0.641 175.085 174.600 -0.261 0.000 1.138 146 S CA 0.009 58.129 58.200 -0.134 0.000 0.855 146 S CB 2.016 65.144 63.200 -0.120 0.000 1.136 146 S HN 0.818 nan 8.310 nan 0.000 0.484 147 G N 2.231 110.790 108.800 -0.402 0.000 2.416 147 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.301 147 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.301 147 G C -0.215 174.542 174.900 -0.240 0.000 0.985 147 G CA 0.264 45.084 45.100 -0.466 0.000 0.934 147 G HN 0.522 nan 8.290 nan 0.000 0.513 148 N N -0.740 117.865 118.700 -0.159 0.000 2.370 148 N HA 0.367 5.107 4.740 -0.001 0.000 0.303 148 N C -1.365 174.089 175.510 -0.093 0.000 1.103 148 N CA -1.660 51.328 53.050 -0.104 0.000 0.848 148 N CB 2.194 40.635 38.487 -0.076 0.000 1.235 148 N HN -0.173 nan 8.380 nan 0.000 0.496 149 P HA -0.068 nan 4.420 nan 0.000 0.216 149 P C -0.082 177.205 177.300 -0.023 0.000 1.157 149 P CA 1.037 64.023 63.100 -0.189 0.000 0.880 149 P CB 0.250 31.708 31.700 -0.404 0.000 0.791 150 L N -1.953 119.253 121.223 -0.029 0.000 3.823 150 L HA -0.211 4.129 4.340 -0.001 0.000 0.525 150 L C 0.460 177.390 176.870 0.099 0.000 1.247 150 L CA -0.213 54.636 54.840 0.015 0.000 0.776 150 L CB -1.911 40.131 42.059 -0.028 0.000 1.443 150 L HN 0.421 nan 8.230 nan 0.000 0.831 151 H N 1.646 120.740 119.070 0.040 0.000 2.819 151 H HA 0.145 4.701 4.556 -0.001 0.000 0.303 151 H C -0.103 175.234 175.328 0.016 0.000 1.058 151 H CA -0.188 55.901 56.048 0.067 0.000 1.471 151 H CB 0.925 30.745 29.762 0.098 0.000 1.480 151 H HN 0.453 nan 8.280 nan 0.000 0.517 152 c N 6.563 125.086 118.600 -0.128 0.000 2.595 152 c HA 0.176 4.746 4.570 -0.001 0.000 0.374 152 c C 0.961 175.080 174.090 0.048 0.000 1.250 152 c CA -0.270 56.029 56.329 -0.050 0.000 1.595 152 c CB -2.049 40.397 42.510 -0.107 0.000 2.257 152 c HN 0.765 nan 8.230 nan 0.000 0.568 153 S N 2.019 117.813 115.700 0.156 0.000 2.767 153 S HA 0.324 4.794 4.470 -0.001 0.000 0.300 153 S C 1.028 175.676 174.600 0.081 0.000 1.123 153 S CA -0.646 57.642 58.200 0.148 0.000 0.992 153 S CB 0.498 63.789 63.200 0.153 0.000 1.138 153 S HN 0.655 nan 8.310 nan 0.000 0.550 154 c N 0.719 119.361 118.600 0.070 0.000 2.413 154 c HA 0.017 4.586 4.570 -0.001 0.000 0.277 154 c C 2.964 177.104 174.090 0.084 0.000 1.265 154 c CA 1.246 57.608 56.329 0.054 0.000 1.752 154 c CB -2.016 40.514 42.510 0.034 0.000 1.998 154 c HN 0.965 nan 8.230 nan 0.000 0.489 155 A N -0.730 122.157 122.820 0.112 0.000 2.272 155 A HA -0.017 4.302 4.320 -0.001 0.000 0.213 155 A C 1.770 179.544 177.584 0.317 0.000 1.183 155 A CA 1.133 53.285 52.037 0.191 0.000 0.719 155 A CB -0.454 18.645 19.000 0.166 0.000 0.771 155 A HN 0.722 nan 8.150 nan 0.000 0.484 156 L N -2.492 118.826 121.223 0.158 0.000 2.858 156 L HA 0.136 4.476 4.340 -0.001 0.000 0.251 156 L C 2.173 178.970 176.870 -0.123 0.000 1.149 156 L CA -0.024 54.798 54.840 -0.029 0.000 0.955 156 L CB 0.028 42.045 42.059 -0.070 0.000 1.289 156 L HN 0.320 nan 8.230 nan 0.000 0.542 157 R N 1.567 122.084 120.500 0.029 0.000 2.117 157 R HA -0.229 4.111 4.340 -0.001 0.000 0.243 157 R C 2.227 178.564 176.300 0.062 0.000 1.143 157 R CA 2.347 58.465 56.100 0.031 0.000 0.968 157 R CB -0.543 29.792 30.300 0.058 0.000 0.863 157 R HN 0.597 nan 8.270 nan 0.000 0.444 158 W N -0.125 121.198 121.300 0.039 0.000 2.338 158 W HA -0.194 4.465 4.660 -0.001 0.000 0.304 158 W C 1.291 177.837 176.519 0.045 0.000 1.212 158 W CA 0.552 57.955 57.345 0.096 0.000 1.264 158 W CB -1.212 28.342 29.460 0.156 0.000 1.142 158 W HN 0.176 nan 8.180 nan 0.000 0.512 159 L N 1.983 122.497 121.223 -1.182 0.000 2.046 159 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 159 L C 3.047 179.703 176.870 -0.358 0.000 1.077 159 L CA 2.728 56.880 54.840 -1.145 0.000 0.747 159 L CB -1.451 39.919 42.059 -1.147 0.000 0.896 159 L HN 0.092 nan 8.230 nan 0.000 0.432 160 Q N -0.050 119.607 119.800 -0.238 0.000 2.029 160 Q HA -0.272 4.067 4.340 -0.001 0.000 0.209 160 Q C 2.378 178.393 176.000 0.024 0.000 0.999 160 Q CA 2.329 58.086 55.803 -0.077 0.000 0.857 160 Q CB -0.247 28.466 28.738 -0.041 0.000 0.926 160 Q HN 0.445 nan 8.270 nan 0.000 0.415 161 R N -1.390 119.172 120.500 0.104 0.000 2.073 161 R HA -0.159 4.181 4.340 -0.001 0.000 0.234 161 R C 2.046 178.488 176.300 0.237 0.000 1.134 161 R CA 1.440 57.646 56.100 0.176 0.000 0.952 161 R CB -0.562 29.889 30.300 0.252 0.000 0.850 161 R HN 0.387 nan 8.270 nan 0.000 0.433 162 W N 1.488 122.785 121.300 -0.005 0.000 2.424 162 W HA -0.138 4.521 4.660 -0.000 0.000 0.264 162 W C 2.047 178.549 176.519 -0.028 0.000 1.229 162 W CA 0.934 58.281 57.345 0.004 0.000 1.208 162 W CB -0.318 29.133 29.460 -0.016 0.000 1.127 162 W HN 0.290 nan 8.180 nan 0.000 0.588 163 E N 0.243 120.536 120.200 0.154 0.000 2.014 163 E HA -0.170 4.180 4.350 -0.001 0.000 0.190 163 E C 1.806 178.434 176.600 0.045 0.000 0.980 163 E CA 1.412 57.854 56.400 0.069 0.000 0.807 163 E CB -0.057 29.657 29.700 0.023 0.000 0.770 163 E HN 0.224 nan 8.360 nan 0.000 0.451 164 E N 0.589 120.815 120.200 0.043 0.000 2.058 164 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 164 E C 2.071 178.681 176.600 0.016 0.000 0.997 164 E CA 1.185 57.602 56.400 0.028 0.000 0.801 164 E CB -0.060 29.659 29.700 0.032 0.000 0.746 164 E HN 0.255 nan 8.360 nan 0.000 0.450 165 E N -0.136 120.075 120.200 0.017 0.000 2.209 165 E HA -0.133 4.217 4.350 -0.001 0.000 0.196 165 E C 1.252 177.830 176.600 -0.036 0.000 0.993 165 E CA 0.991 57.380 56.400 -0.019 0.000 0.819 165 E CB -0.274 29.396 29.700 -0.049 0.000 0.745 165 E HN 0.429 nan 8.360 nan 0.000 0.477 166 G N 1.148 109.940 108.800 -0.014 0.000 2.272 166 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.280 166 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.280 166 G C 0.627 175.499 174.900 -0.047 0.000 1.067 166 G CA 0.684 45.776 45.100 -0.014 0.000 0.902 166 G HN 0.249 nan 8.290 nan 0.000 0.500 167 L N -0.676 120.493 121.223 -0.090 0.000 2.327 167 L HA 0.308 4.648 4.340 -0.001 0.000 0.192 167 L C 2.804 179.579 176.870 -0.158 0.000 1.158 167 L CA 1.053 55.766 54.840 -0.212 0.000 0.813 167 L CB -0.614 41.145 42.059 -0.500 0.000 1.021 167 L HN 0.277 nan 8.230 nan 0.000 0.481 168 G N -0.775 107.979 108.800 -0.077 0.000 2.848 168 G HA2 0.211 4.171 3.960 -0.001 0.000 0.208 168 G HA3 0.211 4.171 3.960 -0.001 0.000 0.208 168 G C 1.033 176.028 174.900 0.158 0.000 1.152 168 G CA 0.468 45.659 45.100 0.153 0.000 0.789 168 G HN 0.607 nan 8.290 nan 0.000 0.531 169 G N -0.909 107.943 108.800 0.087 0.000 2.248 169 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.263 169 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.263 169 G C 0.823 175.773 174.900 0.083 0.000 1.082 169 G CA 0.197 45.336 45.100 0.065 0.000 0.863 169 G HN 0.422 nan 8.290 nan 0.000 0.495 170 V N 0.068 120.044 119.914 0.103 0.000 2.331 170 V HA -0.025 4.095 4.120 -0.001 0.000 0.242 170 V C 0.923 177.036 176.094 0.031 0.000 1.034 170 V CA 2.145 64.488 62.300 0.072 0.000 1.027 170 V CB -1.030 30.845 31.823 0.086 0.000 0.667 170 V HN 0.371 nan 8.190 nan 0.000 0.457 171 P HA -0.288 nan 4.420 nan 0.000 0.212 171 P C 1.589 178.890 177.300 0.002 0.000 1.128 171 P CA 2.252 65.358 63.100 0.011 0.000 0.961 171 P CB -0.283 31.425 31.700 0.012 0.000 0.782 172 E N 0.153 120.358 120.200 0.008 0.000 2.339 172 E HA -0.271 4.078 4.350 -0.001 0.000 0.201 172 E C 1.689 178.290 176.600 0.000 0.000 1.015 172 E CA 1.486 57.889 56.400 0.005 0.000 0.841 172 E CB -1.123 28.584 29.700 0.012 0.000 0.754 172 E HN 0.498 nan 8.360 nan 0.000 0.508 173 Q N 0.305 120.104 119.800 -0.003 0.000 2.311 173 Q HA 0.001 4.341 4.340 -0.001 0.000 0.203 173 Q C 0.170 176.149 176.000 -0.034 0.000 0.954 173 Q CA 0.502 56.298 55.803 -0.011 0.000 0.885 173 Q CB 0.111 28.843 28.738 -0.011 0.000 0.963 173 Q HN 0.019 nan 8.270 nan 0.000 0.471 174 K N 0.263 120.636 120.400 -0.044 0.000 3.161 174 K HA -0.139 4.181 4.320 -0.001 0.000 0.270 174 K C -1.028 175.521 176.600 -0.085 0.000 1.115 174 K CA 0.230 56.477 56.287 -0.067 0.000 0.789 174 K CB -1.840 30.624 32.500 -0.060 0.000 1.256 174 K HN 0.195 nan 8.250 nan 0.000 0.492 175 L N 0.814 121.985 121.223 -0.087 0.000 2.485 175 L HA 0.020 4.359 4.340 -0.001 0.000 0.275 175 L C 1.102 177.906 176.870 -0.110 0.000 1.207 175 L CA 0.690 55.471 54.840 -0.099 0.000 0.855 175 L CB 0.410 42.406 42.059 -0.105 0.000 1.114 175 L HN 0.303 nan 8.230 nan 0.000 0.485 176 Q N 1.301 121.039 119.800 -0.102 0.000 2.587 176 Q HA 0.424 4.763 4.340 -0.001 0.000 0.293 176 Q C -1.322 174.630 176.000 -0.080 0.000 1.083 176 Q CA -0.871 54.870 55.803 -0.102 0.000 0.792 176 Q CB 2.437 31.117 28.738 -0.097 0.000 1.484 176 Q HN 0.592 nan 8.270 nan 0.000 0.446 177 c N 1.546 120.097 118.600 -0.082 0.000 2.347 177 c HA 0.280 4.850 4.570 -0.001 0.000 0.353 177 c C 0.556 174.616 174.090 -0.050 0.000 1.273 177 c CA -0.514 55.770 56.329 -0.076 0.000 1.861 177 c CB -1.125 41.311 42.510 -0.125 0.000 2.420 177 c HN 0.768 nan 8.230 nan 0.000 0.542 178 H N 1.376 120.400 119.070 -0.078 0.000 2.935 178 H HA 0.348 4.903 4.556 -0.001 0.000 0.376 178 H C 1.473 176.771 175.328 -0.050 0.000 1.307 178 H CA 2.132 58.156 56.048 -0.040 0.000 1.442 178 H CB 0.151 29.926 29.762 0.020 0.000 1.427 178 H HN 0.977 nan 8.280 nan 0.000 0.615 179 G N 0.597 108.640 108.800 -1.263 0.000 3.327 179 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.227 179 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.227 179 G C -0.032 174.660 174.900 -0.347 0.000 1.287 179 G CA 0.970 45.603 45.100 -0.778 0.000 0.953 179 G HN 0.984 nan 8.290 nan 0.000 0.549 180 Q N -1.782 117.860 119.800 -0.264 0.000 2.418 180 Q HA 0.162 4.501 4.340 -0.001 0.000 0.226 180 Q C 0.115 176.036 176.000 -0.133 0.000 1.137 180 Q CA 0.786 56.493 55.803 -0.159 0.000 0.438 180 Q CB -1.370 27.297 28.738 -0.117 0.000 0.561 180 Q HN 1.883 nan 8.270 nan 0.000 0.320 181 G N 3.041 111.769 108.800 -0.121 0.000 5.482 181 G HA2 0.409 4.369 3.960 -0.001 0.000 0.208 181 G HA3 0.409 4.369 3.960 -0.001 0.000 0.208 181 G C -1.626 173.228 174.900 -0.076 0.000 0.756 181 G CA -0.051 44.994 45.100 -0.091 0.000 0.682 181 G HN 0.461 nan 8.290 nan 0.000 0.405 182 P HA -0.254 nan 4.420 nan 0.000 0.230 182 P C 0.722 177.957 177.300 -0.108 0.000 1.055 182 P CA 2.467 65.516 63.100 -0.085 0.000 0.959 182 P CB -0.012 31.644 31.700 -0.073 0.000 0.663 183 L N -8.528 112.625 121.223 -0.117 0.000 2.780 183 L HA 0.728 5.068 4.340 -0.001 0.000 0.265 183 L C -0.756 176.031 176.870 -0.138 0.000 1.003 183 L CA -0.632 54.110 54.840 -0.163 0.000 1.056 183 L CB 0.480 42.385 42.059 -0.256 0.000 1.605 183 L HN -0.342 nan 8.230 nan 0.000 0.354 184 A N -0.154 122.563 122.820 -0.172 0.000 2.849 184 A HA 0.318 4.638 4.320 -0.001 0.000 0.246 184 A C -0.016 177.561 177.584 -0.012 0.000 1.820 184 A CA 0.449 52.427 52.037 -0.098 0.000 1.512 184 A CB -1.951 16.990 19.000 -0.098 0.000 0.884 184 A HN 0.782 nan 8.150 nan 0.000 0.626 185 H N -1.441 117.604 119.070 -0.042 0.000 3.199 185 H HA 0.804 5.359 4.556 -0.001 0.000 0.292 185 H C -0.567 174.736 175.328 -0.041 0.000 1.600 185 H CA -1.169 54.857 56.048 -0.036 0.000 1.235 185 H CB 1.417 31.158 29.762 -0.036 0.000 1.839 185 H HN 0.416 nan 8.280 nan 0.000 0.623 186 M N 0.771 120.434 119.600 0.105 0.000 2.886 186 M HA -0.038 4.442 4.480 -0.001 0.000 0.137 186 M C -3.021 173.284 176.300 0.008 0.000 0.562 186 M CA -0.886 54.432 55.300 0.031 0.000 1.016 186 M CB 0.379 32.984 32.600 0.009 0.000 1.262 186 M HN 0.311 nan 8.290 nan 0.000 0.614 187 P HA 0.161 nan 4.420 nan 0.000 0.265 187 P C -0.784 176.514 177.300 -0.004 0.000 1.187 187 P CA 0.454 63.550 63.100 -0.007 0.000 0.766 187 P CB 0.486 32.181 31.700 -0.008 0.000 0.820 188 N N 1.219 119.916 118.700 -0.005 0.000 2.820 188 N HA 0.096 4.836 4.740 -0.001 0.000 0.236 188 N C 1.536 177.045 175.510 -0.002 0.000 1.023 188 N CA 0.493 53.542 53.050 -0.002 0.000 1.062 188 N CB -0.369 38.117 38.487 -0.003 0.000 1.582 188 N HN 0.297 nan 8.380 nan 0.000 0.485 189 A N -0.292 122.525 122.820 -0.005 0.000 2.172 189 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 189 A C 1.962 179.543 177.584 -0.006 0.000 1.154 189 A CA 1.445 53.479 52.037 -0.006 0.000 0.701 189 A CB -0.765 18.231 19.000 -0.007 0.000 0.789 189 A HN 0.341 nan 8.150 nan 0.000 0.465 190 S N -1.470 114.227 115.700 -0.004 0.000 2.515 190 S HA -0.041 4.428 4.470 -0.001 0.000 0.231 190 S C 0.515 175.114 174.600 -0.003 0.000 0.987 190 S CA 0.402 58.600 58.200 -0.003 0.000 0.936 190 S CB -0.681 62.518 63.200 -0.001 0.000 0.766 190 S HN 0.560 nan 8.310 nan 0.000 0.528 191 c N 1.736 120.334 118.600 -0.002 0.000 2.295 191 c HA 0.823 5.393 4.570 -0.001 0.000 0.331 191 c C 0.697 174.780 174.090 -0.012 0.000 1.280 191 c CA -0.777 55.550 56.329 -0.004 0.000 1.746 191 c CB 0.051 42.563 42.510 0.004 0.000 2.328 191 c HN 0.564 nan 8.230 nan 0.000 0.521 192 G N 2.636 111.423 108.800 -0.023 0.000 2.719 192 G HA2 0.602 4.562 3.960 -0.001 0.000 0.298 192 G HA3 0.602 4.562 3.960 -0.001 0.000 0.298 192 G C -0.605 174.259 174.900 -0.059 0.000 1.411 192 G CA -0.438 44.641 45.100 -0.035 0.000 0.991 192 G HN 0.706 nan 8.290 nan 0.000 0.509 193 V N 0.597 120.464 119.914 -0.077 0.000 3.747 193 V HA 0.326 4.445 4.120 -0.001 0.000 0.299 193 V C -1.404 174.640 176.094 -0.084 0.000 1.103 193 V CA -0.843 61.391 62.300 -0.110 0.000 1.154 193 V CB 0.221 31.973 31.823 -0.117 0.000 1.127 193 V HN 0.733 nan 8.190 nan 0.000 0.482 194 P HA 0.340 nan 4.420 nan 0.000 0.285 194 P C -0.791 176.477 177.300 -0.053 0.000 1.269 194 P CA -0.335 62.726 63.100 -0.066 0.000 0.844 194 P CB 1.288 32.946 31.700 -0.070 0.000 1.094 195 T N 1.727 116.257 114.554 -0.040 0.000 2.909 195 T HA 0.511 4.860 4.350 -0.001 0.000 0.286 195 T C -0.034 174.647 174.700 -0.031 0.000 1.002 195 T CA -0.251 61.831 62.100 -0.030 0.000 1.074 195 T CB 0.214 69.069 68.868 -0.022 0.000 0.984 195 T HN 0.254 nan 8.240 nan 0.000 0.495 196 L N 2.955 124.164 121.223 -0.025 0.000 2.491 196 L HA 0.463 4.802 4.340 -0.001 0.000 0.267 196 L C -0.497 176.368 176.870 -0.009 0.000 0.971 196 L CA -0.628 54.196 54.840 -0.026 0.000 0.857 196 L CB 1.574 43.613 42.059 -0.034 0.000 1.226 196 L HN 0.455 nan 8.230 nan 0.000 0.408 197 K N 2.994 123.391 120.400 -0.004 0.000 2.371 197 K HA 0.765 5.085 4.320 -0.001 0.000 0.251 197 K C -1.353 175.267 176.600 0.034 0.000 0.934 197 K CA -0.810 55.488 56.287 0.017 0.000 0.798 197 K CB 3.377 35.888 32.500 0.018 0.000 1.204 197 K HN 0.152 nan 8.250 nan 0.000 0.427 198 V N 3.050 123.003 119.914 0.065 0.000 2.443 198 V HA 0.191 4.311 4.120 -0.001 0.000 0.293 198 V C -0.802 175.356 176.094 0.106 0.000 1.021 198 V CA -1.009 61.362 62.300 0.120 0.000 0.848 198 V CB 1.646 33.576 31.823 0.178 0.000 0.998 198 V HN 0.629 nan 8.190 nan 0.000 0.424 199 Q N 3.792 123.655 119.800 0.106 0.000 2.349 199 Q HA 0.391 4.731 4.340 -0.001 0.000 0.254 199 Q C 0.000 176.046 176.000 0.076 0.000 0.980 199 Q CA -0.219 55.630 55.803 0.075 0.000 0.924 199 Q CB 1.779 30.554 28.738 0.062 0.000 1.209 199 Q HN 0.798 nan 8.270 nan 0.000 0.445 200 V N 1.304 121.255 119.914 0.062 0.000 3.185 200 V HA 0.460 4.579 4.120 -0.001 0.000 0.305 200 V C -1.794 174.320 176.094 0.034 0.000 1.090 200 V CA -1.511 60.817 62.300 0.046 0.000 1.107 200 V CB -0.289 31.559 31.823 0.042 0.000 1.061 200 V HN 0.578 nan 8.190 nan 0.000 0.480 201 P HA 0.146 nan 4.420 nan 0.000 0.270 201 P C 0.206 177.517 177.300 0.019 0.000 1.223 201 P CA -0.125 62.986 63.100 0.019 0.000 0.785 201 P CB 0.492 32.200 31.700 0.013 0.000 0.923 202 N N 0.074 118.784 118.700 0.016 0.000 2.216 202 N HA -0.050 4.690 4.740 -0.001 0.000 0.183 202 N C 0.853 176.370 175.510 0.012 0.000 1.017 202 N CA 0.774 53.833 53.050 0.014 0.000 0.861 202 N CB -0.383 38.111 38.487 0.012 0.000 0.986 202 N HN 0.535 nan 8.380 nan 0.000 0.428 203 A N 1.250 124.077 122.820 0.011 0.000 2.327 203 A HA 0.413 4.733 4.320 -0.001 0.000 0.283 203 A C 0.680 178.271 177.584 0.013 0.000 1.127 203 A CA -0.536 51.507 52.037 0.009 0.000 0.810 203 A CB 0.406 19.410 19.000 0.007 0.000 1.066 203 A HN 0.287 nan 8.150 nan 0.000 0.492 204 S N 0.902 116.608 115.700 0.011 0.000 2.563 204 S HA 0.312 4.782 4.470 -0.001 0.000 0.269 204 S C 0.076 174.692 174.600 0.027 0.000 1.364 204 S CA -0.146 58.065 58.200 0.018 0.000 1.010 204 S CB 0.216 63.421 63.200 0.008 0.000 0.877 204 S HN 0.960 nan 8.310 nan 0.000 0.549 205 V N 1.795 121.735 119.914 0.043 0.000 2.680 205 V HA 0.546 4.665 4.120 -0.001 0.000 0.309 205 V C -0.602 175.544 176.094 0.086 0.000 1.052 205 V CA -0.839 61.493 62.300 0.053 0.000 0.908 205 V CB 1.931 33.783 31.823 0.048 0.000 1.001 205 V HN 0.973 nan 8.190 nan 0.000 0.431 206 D N 1.317 121.770 120.400 0.088 0.000 2.433 206 D HA 0.405 5.045 4.640 -0.001 0.000 0.236 206 D C -0.341 176.019 176.300 0.100 0.000 1.026 206 D CA -0.395 53.685 54.000 0.134 0.000 0.884 206 D CB 2.865 43.750 40.800 0.143 0.000 1.384 206 D HN 0.340 nan 8.370 nan 0.000 0.477 207 V N 0.843 120.823 119.914 0.110 0.000 3.209 207 V HA 0.260 4.380 4.120 -0.001 0.000 0.305 207 V C 1.341 177.459 176.094 0.040 0.000 1.127 207 V CA 1.477 63.813 62.300 0.059 0.000 1.235 207 V CB 0.520 32.367 31.823 0.040 0.000 0.987 207 V HN 0.917 nan 8.190 nan 0.000 0.499 208 G N 3.713 112.523 108.800 0.017 0.000 2.305 208 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.287 208 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.287 208 G C -0.204 174.704 174.900 0.013 0.000 1.036 208 G CA 0.590 45.696 45.100 0.010 0.000 0.887 208 G HN 0.905 nan 8.290 nan 0.000 0.505 209 D N -0.233 120.176 120.400 0.014 0.000 2.442 209 D HA 0.534 5.173 4.640 -0.001 0.000 0.254 209 D C 0.057 176.356 176.300 -0.002 0.000 1.069 209 D CA -0.598 53.409 54.000 0.011 0.000 1.017 209 D CB 0.883 41.695 40.800 0.019 0.000 1.172 209 D HN 0.109 nan 8.370 nan 0.000 0.561 210 D N -0.350 120.046 120.400 -0.006 0.000 2.229 210 D HA 0.438 5.078 4.640 -0.001 0.000 0.249 210 D C -0.604 175.686 176.300 -0.018 0.000 1.027 210 D CA -0.356 53.633 54.000 -0.017 0.000 0.923 210 D CB 2.040 42.828 40.800 -0.020 0.000 1.174 210 D HN -0.103 nan 8.370 nan 0.000 0.443 211 V N 2.309 122.204 119.914 -0.032 0.000 2.462 211 V HA 0.259 4.379 4.120 -0.001 0.000 0.288 211 V C -0.089 175.970 176.094 -0.058 0.000 1.020 211 V CA -0.827 61.453 62.300 -0.033 0.000 0.857 211 V CB 1.411 33.216 31.823 -0.030 0.000 1.013 211 V HN 0.343 nan 8.190 nan 0.000 0.431 212 L N 5.085 126.280 121.223 -0.046 0.000 2.325 212 L HA 1.014 5.354 4.340 -0.001 0.000 0.278 212 L C -0.698 176.147 176.870 -0.042 0.000 1.023 212 L CA -0.737 54.067 54.840 -0.059 0.000 0.811 212 L CB 1.831 43.868 42.059 -0.037 0.000 1.249 212 L HN 0.641 nan 8.230 nan 0.000 0.431 213 L N 0.009 121.196 121.223 -0.061 0.000 2.622 213 L HA 0.709 5.048 4.340 -0.001 0.000 0.258 213 L C -1.276 175.652 176.870 0.097 0.000 0.996 213 L CA -0.944 53.902 54.840 0.009 0.000 0.858 213 L CB 2.368 44.431 42.059 0.008 0.000 1.449 213 L HN 0.733 nan 8.230 nan 0.000 0.411 214 R N 0.542 121.173 120.500 0.219 0.000 2.740 214 R HA 0.673 5.012 4.340 -0.001 0.000 0.282 214 R C -1.525 175.005 176.300 0.384 0.000 0.969 214 R CA -0.670 55.624 56.100 0.322 0.000 0.918 214 R CB 2.246 32.649 30.300 0.172 0.000 1.175 214 R HN 0.832 nan 8.270 nan 0.000 0.464 215 c N 2.952 121.732 118.600 0.300 0.000 2.293 215 c HA 0.373 4.942 4.570 -0.001 0.000 0.323 215 c C -0.627 173.423 174.090 -0.068 0.000 1.240 215 c CA -0.407 55.882 56.329 -0.065 0.000 1.497 215 c CB 0.449 42.496 42.510 -0.773 0.000 2.171 215 c HN 0.733 nan 8.230 nan 0.000 0.465 216 Q N 4.504 124.287 119.800 -0.028 0.000 2.347 216 Q HA 0.535 4.875 4.340 -0.001 0.000 0.262 216 Q C -0.816 175.159 176.000 -0.041 0.000 0.980 216 Q CA -0.397 55.394 55.803 -0.020 0.000 0.867 216 Q CB 2.041 30.783 28.738 0.006 0.000 1.242 216 Q HN 0.666 nan 8.270 nan 0.000 0.453 217 V N 3.107 122.992 119.914 -0.049 0.000 2.370 217 V HA 0.290 4.410 4.120 -0.001 0.000 0.283 217 V C -0.236 175.839 176.094 -0.031 0.000 1.023 217 V CA -0.581 61.690 62.300 -0.048 0.000 0.857 217 V CB 1.383 33.171 31.823 -0.058 0.000 0.985 217 V HN 0.728 nan 8.190 nan 0.000 0.443 218 E N 3.098 123.281 120.200 -0.027 0.000 2.199 218 E HA 0.754 5.104 4.350 -0.001 0.000 0.265 218 E C 0.115 176.700 176.600 -0.025 0.000 0.882 218 E CA -0.394 55.994 56.400 -0.020 0.000 0.759 218 E CB 2.439 32.131 29.700 -0.014 0.000 1.148 218 E HN 0.901 nan 8.360 nan 0.000 0.412 219 G N 1.216 110.002 108.800 -0.023 0.000 2.488 219 G HA2 0.225 4.184 3.960 -0.001 0.000 0.301 219 G HA3 0.225 4.184 3.960 -0.001 0.000 0.301 219 G C -0.417 174.471 174.900 -0.019 0.000 1.339 219 G CA -0.676 44.409 45.100 -0.026 0.000 0.803 219 G HN 0.408 nan 8.290 nan 0.000 0.482 220 R N -0.602 119.886 120.500 -0.019 0.000 2.476 220 R HA 0.219 4.558 4.340 -0.001 0.000 0.276 220 R C 2.006 178.299 176.300 -0.011 0.000 0.941 220 R CA 0.468 56.561 56.100 -0.012 0.000 1.088 220 R CB 1.143 31.438 30.300 -0.007 0.000 1.216 220 R HN 0.570 nan 8.270 nan 0.000 0.533 221 G N 1.694 110.481 108.800 -0.022 0.000 2.733 221 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.213 221 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.213 221 G C 0.183 175.076 174.900 -0.012 0.000 1.351 221 G CA 0.240 45.327 45.100 -0.021 0.000 0.853 221 G HN 0.229 nan 8.290 nan 0.000 0.590 222 L N -0.100 121.113 121.223 -0.017 0.000 1.989 222 L HA -0.099 4.241 4.340 -0.001 0.000 0.641 222 L C 0.034 176.909 176.870 0.009 0.000 1.008 222 L CA -0.286 54.551 54.840 -0.005 0.000 1.343 222 L CB -0.849 41.209 42.059 -0.001 0.000 2.115 222 L HN 0.420 nan 8.230 nan 0.000 1.011 223 E N 1.106 121.317 120.200 0.019 0.000 3.260 223 E HA 0.347 4.697 4.350 -0.001 0.000 0.236 223 E C -0.084 176.553 176.600 0.062 0.000 1.120 223 E CA -0.090 56.335 56.400 0.041 0.000 0.889 223 E CB 0.235 29.968 29.700 0.054 0.000 3.210 223 E HN 0.613 nan 8.360 nan 0.000 0.577 224 Q N 0.102 119.965 119.800 0.106 0.000 2.193 224 Q HA 0.727 5.066 4.340 -0.001 0.000 0.246 224 Q C -0.790 175.327 176.000 0.195 0.000 0.959 224 Q CA -0.685 55.213 55.803 0.158 0.000 0.904 224 Q CB 2.114 31.005 28.738 0.256 0.000 1.238 224 Q HN 0.338 nan 8.270 nan 0.000 0.469 225 A N -0.092 122.827 122.820 0.165 0.000 2.602 225 A HA 0.943 5.263 4.320 -0.001 0.000 0.290 225 A C -1.129 176.397 177.584 -0.097 0.000 1.114 225 A CA -0.115 52.004 52.037 0.137 0.000 0.683 225 A CB 2.103 21.107 19.000 0.007 0.000 1.281 225 A HN 0.774 nan 8.150 nan 0.000 0.416 226 G N -1.208 107.422 108.800 -0.283 0.000 2.341 226 G HA2 0.440 4.400 3.960 -0.001 0.000 0.300 226 G HA3 0.440 4.400 3.960 -0.001 0.000 0.300 226 G C -1.302 173.243 174.900 -0.592 0.000 1.706 226 G CA -0.782 43.995 45.100 -0.538 0.000 0.916 226 G HN 0.919 nan 8.290 nan 0.000 0.716 227 W N 0.769 121.892 121.300 -0.296 0.000 2.150 227 W HA 0.643 5.303 4.660 -0.001 0.000 0.341 227 W C 0.777 177.179 176.519 -0.195 0.000 1.276 227 W CA -0.357 56.890 57.345 -0.163 0.000 1.238 227 W CB 0.747 30.156 29.460 -0.084 0.000 1.128 227 W HN 0.311 nan 8.180 nan 0.000 0.581 228 I N 3.494 124.193 120.570 0.215 0.000 2.382 228 I HA 0.179 4.349 4.170 -0.001 0.000 0.286 228 I C -1.009 175.204 176.117 0.159 0.000 1.002 228 I CA -1.046 60.352 61.300 0.164 0.000 1.135 228 I CB 0.700 38.841 38.000 0.236 0.000 1.288 228 I HN -0.043 nan 8.210 nan 0.000 0.448 229 L N 5.997 127.278 121.223 0.096 0.000 2.262 229 L HA 0.291 4.631 4.340 -0.001 0.000 0.288 229 L C 0.809 177.712 176.870 0.055 0.000 1.035 229 L CA -0.273 54.603 54.840 0.060 0.000 0.820 229 L CB 1.025 43.092 42.059 0.014 0.000 1.204 229 L HN 0.565 nan 8.230 nan 0.000 0.424 230 T N 0.183 114.773 114.554 0.059 0.000 3.688 230 T HA 0.318 4.668 4.350 -0.001 0.000 0.307 230 T C -0.055 174.665 174.700 0.033 0.000 1.382 230 T CA -0.635 61.496 62.100 0.052 0.000 1.136 230 T CB -0.452 68.452 68.868 0.059 0.000 1.207 230 T HN 0.511 nan 8.240 nan 0.000 0.854 231 E N 1.303 121.518 120.200 0.024 0.000 3.117 231 E HA -0.137 4.212 4.350 -0.001 0.000 0.156 231 E C -0.565 176.037 176.600 0.004 0.000 1.699 231 E CA 0.259 56.666 56.400 0.013 0.000 0.728 231 E CB -1.447 28.261 29.700 0.014 0.000 1.091 231 E HN 0.793 nan 8.360 nan 0.000 0.369 232 L N 2.338 123.558 121.223 -0.005 0.000 2.956 232 L HA 0.115 4.455 4.340 -0.001 0.000 0.232 232 L C 2.022 178.880 176.870 -0.021 0.000 1.291 232 L CA -0.270 54.560 54.840 -0.016 0.000 1.122 232 L CB 0.053 42.095 42.059 -0.027 0.000 1.461 232 L HN 0.347 nan 8.230 nan 0.000 0.470 233 E N -0.584 119.606 120.200 -0.016 0.000 2.204 233 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 233 E C 0.628 177.213 176.600 -0.024 0.000 0.990 233 E CA 0.798 57.187 56.400 -0.018 0.000 0.821 233 E CB 0.122 29.814 29.700 -0.013 0.000 0.750 233 E HN 0.340 nan 8.360 nan 0.000 0.477 234 Q N 1.295 121.079 119.800 -0.027 0.000 2.963 234 Q HA 0.340 4.679 4.340 -0.001 0.000 0.262 234 Q C -1.439 174.539 176.000 -0.037 0.000 1.318 234 Q CA -0.273 55.510 55.803 -0.034 0.000 1.089 234 Q CB 0.722 29.435 28.738 -0.041 0.000 1.424 234 Q HN 0.200 nan 8.270 nan 0.000 0.560 235 S N -0.483 115.196 115.700 -0.035 0.000 2.758 235 S HA 0.510 4.980 4.470 -0.001 0.000 0.278 235 S C -1.922 172.654 174.600 -0.039 0.000 0.905 235 S CA -0.307 57.870 58.200 -0.038 0.000 0.960 235 S CB -0.446 62.728 63.200 -0.043 0.000 1.211 235 S HN 0.349 nan 8.310 nan 0.000 0.462 236 A N 3.018 125.813 122.820 -0.042 0.000 2.280 236 A HA 0.708 5.027 4.320 -0.001 0.000 0.320 236 A C 0.453 178.002 177.584 -0.058 0.000 1.366 236 A CA 0.180 52.191 52.037 -0.044 0.000 0.938 236 A CB 0.070 19.049 19.000 -0.036 0.000 1.157 236 A HN 1.423 nan 8.150 nan 0.000 0.536 237 T N -0.660 113.854 114.554 -0.067 0.000 2.922 237 T HA 0.651 5.001 4.350 -0.001 0.000 0.285 237 T C -0.449 174.197 174.700 -0.090 0.000 1.005 237 T CA -0.601 61.442 62.100 -0.096 0.000 1.061 237 T CB 1.283 70.085 68.868 -0.110 0.000 1.007 237 T HN 0.709 nan 8.240 nan 0.000 0.502 238 V N 4.586 124.432 119.914 -0.113 0.000 2.614 238 V HA 0.311 4.431 4.120 -0.001 0.000 0.281 238 V C 0.136 176.162 176.094 -0.113 0.000 1.031 238 V CA -0.769 61.477 62.300 -0.091 0.000 0.899 238 V CB 0.823 32.606 31.823 -0.067 0.000 1.037 238 V HN 1.133 nan 8.190 nan 0.000 0.456 239 M N 2.268 121.809 119.600 -0.099 0.000 2.323 239 M HA 0.643 5.123 4.480 -0.001 0.000 0.217 239 M C 0.677 176.969 176.300 -0.014 0.000 0.710 239 M CA -0.397 54.850 55.300 -0.089 0.000 1.815 239 M CB 0.214 32.765 32.600 -0.081 0.000 1.133 239 M HN 0.199 nan 8.290 nan 0.000 0.892 240 K N -0.639 119.784 120.400 0.038 0.000 3.104 240 K HA -0.173 4.147 4.320 -0.001 0.000 0.285 240 K C 0.837 177.460 176.600 0.039 0.000 1.136 240 K CA 0.782 57.093 56.287 0.039 0.000 0.842 240 K CB -1.881 30.626 32.500 0.011 0.000 1.217 240 K HN 0.663 nan 8.250 nan 0.000 0.467 241 S N -0.115 115.615 115.700 0.049 0.000 2.701 241 S HA 0.200 4.670 4.470 -0.001 0.000 0.220 241 S C 0.493 175.131 174.600 0.063 0.000 0.954 241 S CA 0.344 58.568 58.200 0.040 0.000 0.936 241 S CB 0.295 63.508 63.200 0.023 0.000 0.777 241 S HN 0.538 nan 8.310 nan 0.000 0.518 242 G N -1.621 107.227 108.800 0.080 0.000 2.684 242 G HA2 0.575 4.534 3.960 -0.001 0.000 0.290 242 G HA3 0.575 4.534 3.960 -0.001 0.000 0.290 242 G C 0.116 175.047 174.900 0.052 0.000 1.425 242 G CA -0.147 44.997 45.100 0.073 0.000 0.822 242 G HN 0.255 nan 8.290 nan 0.000 0.482 243 G N -1.266 107.555 108.800 0.036 0.000 2.992 243 G HA2 0.414 4.374 3.960 -0.001 0.000 0.201 243 G HA3 0.414 4.374 3.960 -0.001 0.000 0.201 243 G C 0.564 175.472 174.900 0.013 0.000 2.057 243 G CA 0.149 45.262 45.100 0.022 0.000 0.800 243 G HN 0.460 nan 8.290 nan 0.000 0.700 244 L N 1.133 122.361 121.223 0.009 0.000 2.730 244 L HA 0.199 4.538 4.340 -0.001 0.000 0.236 244 L C -0.128 176.739 176.870 -0.004 0.000 1.061 244 L CA 0.460 55.300 54.840 -0.000 0.000 0.898 244 L CB -1.062 40.998 42.059 0.002 0.000 1.270 244 L HN 0.265 nan 8.230 nan 0.000 0.500 245 P HA -0.030 nan 4.420 nan 0.000 0.217 245 P C 0.222 177.524 177.300 0.004 0.000 1.150 245 P CA 0.911 64.012 63.100 0.002 0.000 0.832 245 P CB 0.513 32.218 31.700 0.008 0.000 0.787 246 S N -0.731 114.979 115.700 0.016 0.000 2.540 246 S HA 0.542 5.012 4.470 -0.001 0.000 0.275 246 S C -1.039 173.598 174.600 0.062 0.000 1.123 246 S CA -0.518 57.704 58.200 0.036 0.000 0.907 246 S CB 1.662 64.894 63.200 0.053 0.000 1.081 246 S HN -0.144 nan 8.310 nan 0.000 0.476 247 L N 2.335 123.619 121.223 0.102 0.000 2.316 247 L HA 0.601 4.941 4.340 -0.001 0.000 0.280 247 L C 0.701 177.877 176.870 0.510 0.000 1.006 247 L CA -0.094 54.884 54.840 0.231 0.000 0.836 247 L CB 1.089 43.160 42.059 0.019 0.000 1.221 247 L HN 0.828 nan 8.230 nan 0.000 0.418 248 G N 4.059 113.060 108.800 0.334 0.000 2.390 248 G HA2 0.539 4.499 3.960 -0.001 0.000 0.270 248 G HA3 0.539 4.499 3.960 -0.001 0.000 0.270 248 G C -1.079 173.849 174.900 0.046 0.000 1.211 248 G CA -0.198 45.021 45.100 0.199 0.000 0.842 248 G HN 0.436 nan 8.290 nan 0.000 0.519 249 L N 1.758 122.847 121.223 -0.223 0.000 2.455 249 L HA 0.740 5.079 4.340 -0.001 0.000 0.264 249 L C -0.964 175.695 176.870 -0.352 0.000 0.968 249 L CA -0.403 54.108 54.840 -0.549 0.000 0.827 249 L CB 2.068 43.241 42.059 -1.477 0.000 1.317 249 L HN 0.532 nan 8.230 nan 0.000 0.407 250 T N 5.723 120.120 114.554 -0.263 0.000 2.921 250 T HA 0.560 4.909 4.350 -0.001 0.000 0.297 250 T C -0.538 174.072 174.700 -0.150 0.000 1.013 250 T CA -0.379 61.620 62.100 -0.168 0.000 0.990 250 T CB 1.805 70.611 68.868 -0.104 0.000 1.023 250 T HN 0.451 nan 8.240 nan 0.000 0.447 251 L N 2.757 123.906 121.223 -0.122 0.000 2.276 251 L HA 0.753 5.093 4.340 -0.001 0.000 0.286 251 L C 0.311 177.143 176.870 -0.064 0.000 1.024 251 L CA -0.879 53.904 54.840 -0.095 0.000 0.826 251 L CB 1.078 43.082 42.059 -0.090 0.000 1.211 251 L HN 0.712 nan 8.230 nan 0.000 0.422 252 A N 2.846 125.633 122.820 -0.055 0.000 2.312 252 A HA 0.493 4.813 4.320 -0.001 0.000 0.328 252 A C 0.315 177.880 177.584 -0.032 0.000 1.158 252 A CA -0.499 51.514 52.037 -0.040 0.000 0.821 252 A CB 0.308 19.285 19.000 -0.038 0.000 1.170 252 A HN 0.930 nan 8.150 nan 0.000 0.490 253 N N -0.186 118.500 118.700 -0.023 0.000 2.708 253 N HA -0.129 4.611 4.740 -0.001 0.000 0.255 253 N C -0.520 174.977 175.510 -0.021 0.000 1.046 253 N CA 0.144 53.183 53.050 -0.018 0.000 0.715 253 N CB -1.001 37.475 38.487 -0.019 0.000 0.895 253 N HN 0.449 nan 8.380 nan 0.000 0.545 254 V N 1.151 121.055 119.914 -0.018 0.000 2.529 254 V HA 0.048 4.168 4.120 -0.001 0.000 0.292 254 V C 1.503 177.585 176.094 -0.021 0.000 1.028 254 V CA 0.327 62.615 62.300 -0.020 0.000 1.074 254 V CB 0.836 32.653 31.823 -0.012 0.000 0.958 254 V HN 0.415 nan 8.190 nan 0.000 0.481 255 T N 1.848 116.382 114.554 -0.034 0.000 2.771 255 T HA 0.154 4.503 4.350 -0.001 0.000 0.290 255 T C 1.372 176.034 174.700 -0.064 0.000 1.005 255 T CA 0.177 62.247 62.100 -0.050 0.000 0.944 255 T CB 1.035 69.866 68.868 -0.061 0.000 1.147 255 T HN 0.595 nan 8.240 nan 0.000 0.534 256 S N -0.666 114.964 115.700 -0.116 0.000 2.446 256 S HA -0.058 4.411 4.470 -0.001 0.000 0.225 256 S C 1.113 175.611 174.600 -0.170 0.000 1.016 256 S CA 0.408 58.502 58.200 -0.176 0.000 0.943 256 S CB -0.884 62.068 63.200 -0.413 0.000 0.786 256 S HN 0.639 nan 8.310 nan 0.000 0.508 257 D N 1.753 122.067 120.400 -0.142 0.000 2.370 257 D HA -0.011 4.628 4.640 -0.001 0.000 0.256 257 D C 0.952 177.215 176.300 -0.062 0.000 1.197 257 D CA 0.139 54.076 54.000 -0.105 0.000 0.922 257 D CB 0.210 40.961 40.800 -0.083 0.000 0.911 257 D HN 0.356 nan 8.370 nan 0.000 0.517 258 L N -0.016 121.176 121.223 -0.052 0.000 2.585 258 L HA 0.146 4.486 4.340 -0.001 0.000 0.226 258 L C 0.450 177.316 176.870 -0.007 0.000 1.113 258 L CA 0.238 55.063 54.840 -0.025 0.000 0.876 258 L CB -0.118 41.929 42.059 -0.020 0.000 1.072 258 L HN -0.183 nan 8.230 nan 0.000 0.468 259 N N 1.100 119.793 118.700 -0.011 0.000 2.482 259 N HA 0.037 4.776 4.740 -0.001 0.000 0.260 259 N C 0.126 175.651 175.510 0.025 0.000 1.236 259 N CA -0.077 52.986 53.050 0.022 0.000 0.938 259 N CB 0.674 39.185 38.487 0.039 0.000 1.128 259 N HN 0.021 nan 8.380 nan 0.000 0.448 260 R N 0.094 120.619 120.500 0.042 0.000 3.333 260 R HA -0.210 4.130 4.340 -0.001 0.000 0.256 260 R C -1.054 175.266 176.300 0.035 0.000 1.010 260 R CA 0.953 57.078 56.100 0.042 0.000 0.680 260 R CB -1.109 29.218 30.300 0.045 0.000 1.102 260 R HN 0.501 nan 8.270 nan 0.000 0.440 261 K N 0.657 121.077 120.400 0.033 0.000 2.640 261 K HA 0.265 4.585 4.320 -0.001 0.000 0.245 261 K C -0.820 175.806 176.600 0.043 0.000 0.962 261 K CA -0.982 55.324 56.287 0.033 0.000 0.896 261 K CB 1.137 33.649 32.500 0.019 0.000 1.147 261 K HN 0.077 nan 8.250 nan 0.000 0.445 262 N N 1.730 120.462 118.700 0.053 0.000 2.359 262 N HA -0.013 4.727 4.740 -0.001 0.000 0.261 262 N C -0.700 174.860 175.510 0.083 0.000 1.267 262 N CA 0.368 53.460 53.050 0.070 0.000 0.864 262 N CB 0.794 39.325 38.487 0.074 0.000 1.063 262 N HN 0.171 nan 8.380 nan 0.000 0.474 263 V N 3.079 123.055 119.914 0.103 0.000 2.304 263 V HA 0.249 4.368 4.120 -0.001 0.000 0.278 263 V C 0.206 176.439 176.094 0.233 0.000 1.018 263 V CA -0.609 61.774 62.300 0.138 0.000 0.814 263 V CB 1.298 33.173 31.823 0.086 0.000 1.021 263 V HN 0.544 nan 8.190 nan 0.000 0.440 264 T N 3.942 118.654 114.554 0.264 0.000 2.895 264 T HA 0.557 4.906 4.350 -0.001 0.000 0.283 264 T C -0.088 174.796 174.700 0.307 0.000 1.014 264 T CA -0.407 61.845 62.100 0.254 0.000 1.037 264 T CB 1.435 70.424 68.868 0.202 0.000 1.006 264 T HN 0.908 nan 8.240 nan 0.000 0.468 265 c N 1.086 119.757 118.600 0.118 0.000 2.561 265 c HA 0.852 5.421 4.570 -0.001 0.000 0.319 265 c C -0.212 173.905 174.090 0.046 0.000 1.198 265 c CA -1.281 54.967 56.329 -0.135 0.000 1.665 265 c CB -0.047 41.956 42.510 -0.845 0.000 2.258 265 c HN 0.830 nan 8.230 nan 0.000 0.493 266 W N 1.542 122.705 121.300 -0.229 0.000 1.833 266 W HA 0.601 5.261 4.660 -0.001 0.000 0.390 266 W C 0.501 176.933 176.519 -0.146 0.000 1.680 266 W CA 0.760 58.023 57.345 -0.136 0.000 1.828 266 W CB 0.312 29.712 29.460 -0.101 0.000 1.357 266 W HN 1.301 nan 8.180 nan 0.000 0.720 267 A N 0.842 123.732 122.820 0.118 0.000 2.272 267 A HA 0.385 4.705 4.320 -0.001 0.000 0.286 267 A C -1.494 176.039 177.584 -0.086 0.000 0.977 267 A CA -0.866 51.179 52.037 0.012 0.000 0.822 267 A CB 0.074 19.048 19.000 -0.042 0.000 0.955 267 A HN 0.511 nan 8.150 nan 0.000 0.349 268 E N 2.263 122.427 120.200 -0.060 0.000 2.260 268 E HA 0.375 4.724 4.350 -0.001 0.000 0.266 268 E C -0.498 176.033 176.600 -0.116 0.000 0.887 268 E CA -0.976 55.336 56.400 -0.146 0.000 0.777 268 E CB 2.038 31.706 29.700 -0.052 0.000 1.205 268 E HN 0.800 nan 8.360 nan 0.000 0.414 269 N N 1.696 120.282 118.700 -0.190 0.000 2.604 269 N HA 0.051 4.791 4.740 -0.001 0.000 0.297 269 N C 0.323 175.757 175.510 -0.127 0.000 1.266 269 N CA -0.429 52.546 53.050 -0.125 0.000 0.961 269 N CB 0.579 38.993 38.487 -0.121 0.000 1.166 269 N HN 0.385 nan 8.380 nan 0.000 0.601 270 D N -1.432 118.931 120.400 -0.062 0.000 2.368 270 D HA -0.039 4.601 4.640 -0.001 0.000 0.250 270 D C 0.088 176.370 176.300 -0.029 0.000 1.142 270 D CA 0.177 54.170 54.000 -0.012 0.000 0.925 270 D CB -0.497 40.315 40.800 0.019 0.000 0.896 270 D HN 0.217 nan 8.370 nan 0.000 0.525 271 V N -1.118 118.686 119.914 -0.184 0.000 3.921 271 V HA 0.530 4.650 4.120 -0.001 0.000 0.276 271 V C -0.209 175.491 176.094 -0.656 0.000 0.894 271 V CA 0.506 62.642 62.300 -0.274 0.000 1.302 271 V CB 0.420 32.232 31.823 -0.018 0.000 0.764 271 V HN 0.697 nan 8.190 nan 0.000 0.489 272 G N 3.940 111.804 108.800 -1.562 0.000 2.384 272 G HA2 0.254 4.213 3.960 -0.001 0.000 0.668 272 G HA3 0.254 4.213 3.960 -0.001 0.000 0.668 272 G C -1.069 173.106 174.900 -1.208 0.000 1.280 272 G CA -0.217 43.964 45.100 -1.533 0.000 0.992 272 G HN 1.306 nan 8.290 nan 0.000 0.512 273 R N -0.550 119.560 120.500 -0.651 0.000 2.626 273 R HA 0.729 5.068 4.340 -0.001 0.000 0.274 273 R C -0.886 175.284 176.300 -0.216 0.000 1.031 273 R CA -0.070 55.800 56.100 -0.383 0.000 0.898 273 R CB 1.634 31.769 30.300 -0.274 0.000 1.222 273 R HN 2.007 nan 8.270 nan 0.000 0.455 274 A N 3.357 126.075 122.820 -0.170 0.000 2.343 274 A HA 0.468 4.788 4.320 -0.001 0.000 0.308 274 A C -1.228 176.307 177.584 -0.082 0.000 1.092 274 A CA -0.726 51.248 52.037 -0.106 0.000 0.751 274 A CB 1.279 20.227 19.000 -0.086 0.000 1.203 274 A HN 0.812 nan 8.150 nan 0.000 0.452 275 E N 1.343 121.512 120.200 -0.052 0.000 2.234 275 E HA 0.664 5.013 4.350 -0.001 0.000 0.266 275 E C -1.698 174.911 176.600 0.015 0.000 0.877 275 E CA -0.834 55.563 56.400 -0.005 0.000 0.758 275 E CB 2.173 31.877 29.700 0.007 0.000 1.170 275 E HN 0.520 nan 8.360 nan 0.000 0.415 276 V N 2.379 122.308 119.914 0.026 0.000 2.735 276 V HA 0.683 4.802 4.120 -0.001 0.000 0.310 276 V C -1.299 174.839 176.094 0.074 0.000 1.061 276 V CA -0.274 62.048 62.300 0.037 0.000 0.913 276 V CB 2.151 33.986 31.823 0.020 0.000 1.005 276 V HN 0.891 nan 8.190 nan 0.000 0.428 277 S N 5.657 121.407 115.700 0.084 0.000 2.557 277 S HA 0.824 5.293 4.470 -0.001 0.000 0.291 277 S C -0.674 173.986 174.600 0.100 0.000 1.116 277 S CA -0.397 57.872 58.200 0.114 0.000 0.992 277 S CB 1.253 64.519 63.200 0.110 0.000 1.028 277 S HN 1.534 nan 8.310 nan 0.000 0.484 278 V N 0.611 120.597 119.914 0.120 0.000 3.193 278 V HA 0.734 4.853 4.120 -0.001 0.000 0.320 278 V C -0.574 175.570 176.094 0.083 0.000 1.112 278 V CA -0.850 61.508 62.300 0.097 0.000 1.026 278 V CB 1.236 33.125 31.823 0.110 0.000 1.128 278 V HN 0.985 nan 8.190 nan 0.000 0.452 279 Q N -0.691 119.148 119.800 0.065 0.000 2.484 279 Q HA 0.606 4.946 4.340 -0.001 0.000 0.285 279 Q C 0.128 176.155 176.000 0.045 0.000 1.097 279 Q CA -0.758 55.077 55.803 0.053 0.000 0.802 279 Q CB 2.597 31.365 28.738 0.050 0.000 1.444 279 Q HN 0.596 nan 8.270 nan 0.000 0.429 280 V N 0.024 119.961 119.914 0.038 0.000 2.436 280 V HA 0.004 4.124 4.120 -0.001 0.000 0.240 280 V C 0.065 176.185 176.094 0.043 0.000 1.040 280 V CA 0.351 62.671 62.300 0.032 0.000 1.052 280 V CB -0.299 31.535 31.823 0.019 0.000 0.707 280 V HN 0.874 nan 8.190 nan 0.000 0.469 281 N N 0.974 119.707 118.700 0.056 0.000 2.408 281 N HA -0.130 4.610 4.740 -0.001 0.000 0.293 281 N C -0.820 174.742 175.510 0.087 0.000 1.433 281 N CA 0.861 53.957 53.050 0.077 0.000 0.637 281 N CB -0.321 38.205 38.487 0.065 0.000 0.941 281 N HN 0.486 nan 8.380 nan 0.000 0.499 282 V N -0.114 119.869 119.914 0.115 0.000 2.769 282 V HA 0.902 5.022 4.120 -0.001 0.000 0.312 282 V C 0.491 176.721 176.094 0.227 0.000 1.061 282 V CA -0.735 61.642 62.300 0.129 0.000 0.931 282 V CB 2.250 34.123 31.823 0.083 0.000 1.010 282 V HN 0.632 nan 8.190 nan 0.000 0.433 283 S N 3.445 119.301 115.700 0.260 0.000 2.454 283 S HA 0.909 5.378 4.470 -0.001 0.000 0.306 283 S C -0.792 174.060 174.600 0.420 0.000 1.100 283 S CA -0.578 57.848 58.200 0.376 0.000 1.087 283 S CB 1.327 64.739 63.200 0.354 0.000 1.019 283 S HN 1.423 nan 8.310 nan 0.000 0.480 284 F N -0.331 119.635 119.950 0.028 0.000 2.620 284 F HA 0.879 5.405 4.527 -0.001 0.000 0.320 284 F C -3.126 172.387 175.800 -0.477 0.000 1.069 284 F CA -3.191 54.614 58.000 -0.325 0.000 0.953 284 F CB 0.466 39.358 39.000 -0.179 0.000 1.322 284 F HN 0.351 nan 8.300 nan 0.000 0.479 285 P HA 0.232 nan 4.420 nan 0.000 0.272 285 P C -0.576 176.547 177.300 -0.294 0.000 1.223 285 P CA -0.004 62.765 63.100 -0.551 0.000 0.784 285 P CB 1.069 32.485 31.700 -0.474 0.000 0.923 286 A N 2.920 125.648 122.820 -0.153 0.000 2.507 286 A HA 0.427 4.746 4.320 -0.001 0.000 0.235 286 A C 0.523 178.076 177.584 -0.051 0.000 1.070 286 A CA 0.399 52.369 52.037 -0.112 0.000 0.768 286 A CB -0.570 18.397 19.000 -0.054 0.000 1.011 286 A HN 0.678 nan 8.150 nan 0.000 0.502 287 S N -0.384 115.306 115.700 -0.017 0.000 2.541 287 S HA 0.742 5.212 4.470 -0.001 0.000 0.271 287 S C -1.010 173.603 174.600 0.023 0.000 1.133 287 S CA -0.572 57.640 58.200 0.020 0.000 0.876 287 S CB 1.466 64.706 63.200 0.067 0.000 1.105 287 S HN 1.278 nan 8.310 nan 0.000 0.470 288 V N 1.918 121.840 119.914 0.013 0.000 3.012 288 V HA 0.772 4.892 4.120 -0.001 0.000 0.307 288 V C -1.243 174.855 176.094 0.006 0.000 1.166 288 V CA -0.749 61.557 62.300 0.010 0.000 0.974 288 V CB 1.828 33.621 31.823 -0.051 0.000 1.040 288 V HN 1.154 nan 8.190 nan 0.000 0.428 289 Q N 2.763 122.578 119.800 0.026 0.000 2.391 289 Q HA 0.824 5.164 4.340 -0.001 0.000 0.279 289 Q C -2.459 173.528 176.000 -0.022 0.000 1.028 289 Q CA -0.864 54.924 55.803 -0.025 0.000 0.836 289 Q CB 2.607 31.312 28.738 -0.055 0.000 1.414 289 Q HN 0.453 nan 8.270 nan 0.000 0.397 290 L N 1.628 122.806 121.223 -0.076 0.000 2.319 290 L HA 0.609 4.949 4.340 -0.001 0.000 0.267 290 L C -0.583 176.183 176.870 -0.173 0.000 1.011 290 L CA -0.455 54.391 54.840 0.009 0.000 0.818 290 L CB 1.919 44.046 42.059 0.113 0.000 1.316 290 L HN 0.719 nan 8.230 nan 0.000 0.432 291 H N -0.785 118.379 119.070 0.158 0.000 2.731 291 H HA 0.401 4.957 4.556 -0.000 0.000 0.368 291 H C -0.574 174.832 175.328 0.131 0.000 1.168 291 H CA -0.674 55.444 56.048 0.117 0.000 1.181 291 H CB 1.848 31.663 29.762 0.089 0.000 1.743 291 H HN 0.589 nan 8.280 nan 0.000 0.547 292 T N -0.305 114.393 114.554 0.240 0.000 2.867 292 T HA 0.318 4.668 4.350 -0.001 0.000 0.297 292 T C 0.756 175.584 174.700 0.213 0.000 0.989 292 T CA -0.718 61.497 62.100 0.192 0.000 1.159 292 T CB 0.122 69.082 68.868 0.154 0.000 0.928 292 T HN 0.655 nan 8.240 nan 0.000 0.538 293 A N 3.072 126.034 122.820 0.237 0.000 2.587 293 A HA 0.446 4.766 4.320 -0.001 0.000 0.235 293 A C 0.555 178.381 177.584 0.405 0.000 1.044 293 A CA -0.245 51.986 52.037 0.325 0.000 0.754 293 A CB -0.228 19.000 19.000 0.381 0.000 0.968 293 A HN 1.671 nan 8.150 nan 0.000 0.509 294 V N 2.115 122.211 119.914 0.303 0.000 2.962 294 V HA 0.651 4.771 4.120 -0.001 0.000 0.313 294 V C -0.384 175.474 176.094 -0.393 0.000 1.099 294 V CA -0.693 61.619 62.300 0.021 0.000 0.971 294 V CB 1.953 33.753 31.823 -0.037 0.000 1.028 294 V HN 1.008 nan 8.190 nan 0.000 0.430 295 E N 5.600 125.223 120.200 -0.963 0.000 2.081 295 E HA 0.492 4.841 4.350 -0.001 0.000 0.276 295 E C -0.401 175.836 176.600 -0.605 0.000 0.950 295 E CA -0.419 55.185 56.400 -1.327 0.000 0.776 295 E CB 1.219 29.779 29.700 -1.901 0.000 1.094 295 E HN 0.813 nan 8.360 nan 0.000 0.402 296 M N 1.723 121.080 119.600 -0.404 0.000 2.318 296 M HA 0.135 4.615 4.480 -0.001 0.000 0.215 296 M C 1.424 177.641 176.300 -0.139 0.000 0.683 296 M CA -0.508 54.670 55.300 -0.203 0.000 1.862 296 M CB -0.352 32.174 32.600 -0.123 0.000 1.122 296 M HN 0.647 nan 8.290 nan 0.000 0.905 297 H N -0.185 118.805 119.070 -0.132 0.000 2.353 297 H HA 0.052 4.608 4.556 -0.001 0.000 0.300 297 H C -0.052 175.295 175.328 0.031 0.000 1.090 297 H CA 1.736 57.736 56.048 -0.081 0.000 1.327 297 H CB 0.057 29.742 29.762 -0.129 0.000 1.383 297 H HN 0.336 nan 8.280 nan 0.000 0.508 298 H N -2.474 116.419 119.070 -0.295 0.000 2.737 298 H HA 0.160 4.716 4.556 -0.001 0.000 0.358 298 H C -0.737 174.448 175.328 -0.239 0.000 1.187 298 H CA -1.284 54.587 56.048 -0.295 0.000 1.221 298 H CB 0.909 30.559 29.762 -0.187 0.000 1.799 298 H HN 0.193 nan 8.280 nan 0.000 0.568 299 W N 0.931 122.133 121.300 -0.163 0.000 2.237 299 W HA 0.367 5.027 4.660 0.000 0.000 0.335 299 W C -0.262 176.128 176.519 -0.216 0.000 1.230 299 W CA 0.065 57.281 57.345 -0.216 0.000 1.253 299 W CB 0.983 30.190 29.460 -0.421 0.000 1.129 299 W HN 0.311 nan 8.180 nan 0.000 0.590 300 c N 5.601 124.259 118.600 0.097 0.000 2.701 300 c HA 0.610 5.179 4.570 -0.001 0.000 0.336 300 c C -0.698 173.434 174.090 0.070 0.000 1.123 300 c CA -0.994 55.338 56.329 0.005 0.000 1.326 300 c CB -0.350 42.142 42.510 -0.030 0.000 1.833 300 c HN 0.561 nan 8.230 nan 0.000 0.473 301 I N 6.501 127.082 120.570 0.017 0.000 2.307 301 I HA 0.308 4.478 4.170 -0.001 0.000 0.287 301 I C -2.126 174.130 176.117 0.232 0.000 1.054 301 I CA -1.651 59.722 61.300 0.121 0.000 1.218 301 I CB 1.102 39.126 38.000 0.040 0.000 1.398 301 I HN 0.462 nan 8.210 nan 0.000 0.475 302 P HA 0.129 nan 4.420 nan 0.000 0.271 302 P C -0.882 176.650 177.300 0.385 0.000 1.216 302 P CA 0.099 63.320 63.100 0.201 0.000 0.771 302 P CB 0.344 32.110 31.700 0.110 0.000 0.864 303 F N -0.209 119.887 119.950 0.243 0.000 2.603 303 F HA 0.829 5.356 4.527 -0.000 0.000 0.317 303 F C -0.984 174.939 175.800 0.205 0.000 1.066 303 F CA -1.077 57.045 58.000 0.203 0.000 0.941 303 F CB 1.369 40.449 39.000 0.133 0.000 1.291 303 F HN 0.067 nan 8.300 nan 0.000 0.472 304 S N 1.836 117.783 115.700 0.411 0.000 2.571 304 S HA 0.713 5.183 4.470 -0.001 0.000 0.284 304 S C -1.601 173.179 174.600 0.300 0.000 1.128 304 S CA -0.736 57.662 58.200 0.331 0.000 0.970 304 S CB 1.692 65.115 63.200 0.371 0.000 1.039 304 S HN 0.873 nan 8.310 nan 0.000 0.485 305 V N 2.675 122.743 119.914 0.256 0.000 2.841 305 V HA 0.709 4.828 4.120 -0.001 0.000 0.310 305 V C -1.597 174.573 176.094 0.126 0.000 1.090 305 V CA -0.471 61.936 62.300 0.178 0.000 0.930 305 V CB 2.202 34.136 31.823 0.185 0.000 1.014 305 V HN 0.911 nan 8.190 nan 0.000 0.425 306 D N 2.183 122.640 120.400 0.095 0.000 2.614 306 D HA 0.893 5.533 4.640 -0.001 0.000 0.264 306 D C -0.256 176.009 176.300 -0.057 0.000 1.092 306 D CA 0.794 54.858 54.000 0.108 0.000 1.071 306 D CB 2.409 43.353 40.800 0.239 0.000 1.443 306 D HN 1.279 nan 8.370 nan 0.000 0.528 307 G N 0.369 108.981 108.800 -0.314 0.000 2.335 307 G HA2 0.404 4.364 3.960 -0.001 0.000 0.592 307 G HA3 0.404 4.364 3.960 -0.001 0.000 0.592 307 G C -1.841 172.612 174.900 -0.745 0.000 1.442 307 G CA -0.566 43.997 45.100 -0.894 0.000 0.976 307 G HN 0.566 nan 8.290 nan 0.000 0.652 308 Q N 0.614 119.941 119.800 -0.788 0.000 2.331 308 Q HA 0.601 4.941 4.340 -0.001 0.000 0.249 308 Q C -2.950 173.043 176.000 -0.012 0.000 0.913 308 Q CA -1.255 54.425 55.803 -0.204 0.000 0.874 308 Q CB 2.519 31.323 28.738 0.110 0.000 1.384 308 Q HN 0.488 nan 8.270 nan 0.000 0.427 309 P HA 0.120 nan 4.420 nan 0.000 0.267 309 P C -0.892 176.377 177.300 -0.052 0.000 1.201 309 P CA 0.260 63.352 63.100 -0.014 0.000 0.775 309 P CB 0.561 32.249 31.700 -0.019 0.000 0.854 310 A N 4.545 127.345 122.820 -0.033 0.000 2.520 310 A HA 0.287 4.606 4.320 -0.001 0.000 0.245 310 A C -1.768 175.803 177.584 -0.021 0.000 1.072 310 A CA -0.806 51.214 52.037 -0.029 0.000 0.761 310 A CB -1.123 17.869 19.000 -0.014 0.000 1.004 310 A HN 0.420 nan 8.150 nan 0.000 0.499 311 P HA 0.167 nan 4.420 nan 0.000 0.272 311 P C -0.459 176.853 177.300 0.019 0.000 1.230 311 P CA -0.179 62.916 63.100 -0.007 0.000 0.788 311 P CB 0.757 32.446 31.700 -0.019 0.000 0.949 312 S N 1.106 116.809 115.700 0.005 0.000 2.525 312 S HA 0.396 4.866 4.470 -0.001 0.000 0.278 312 S C 0.366 174.966 174.600 -0.000 0.000 1.234 312 S CA -0.667 57.546 58.200 0.021 0.000 1.058 312 S CB 0.294 63.500 63.200 0.009 0.000 0.983 312 S HN 0.272 nan 8.310 nan 0.000 0.495 313 L N 3.032 124.270 121.223 0.025 0.000 2.379 313 L HA 0.655 4.994 4.340 -0.001 0.000 0.269 313 L C 0.378 177.213 176.870 -0.058 0.000 1.084 313 L CA -0.536 54.252 54.840 -0.085 0.000 0.802 313 L CB 0.983 42.967 42.059 -0.126 0.000 1.175 313 L HN 0.557 nan 8.230 nan 0.000 0.448 314 R N 1.341 121.737 120.500 -0.174 0.000 2.536 314 R HA 0.344 4.684 4.340 -0.001 0.000 0.269 314 R C -2.136 174.072 176.300 -0.154 0.000 1.113 314 R CA -0.572 55.496 56.100 -0.053 0.000 0.948 314 R CB 1.649 31.933 30.300 -0.028 0.000 1.237 314 R HN 0.469 nan 8.270 nan 0.000 0.441 315 W N 4.261 125.571 121.300 0.018 0.000 2.647 315 W HA 0.631 5.290 4.660 -0.001 0.000 0.353 315 W C -0.566 175.992 176.519 0.065 0.000 1.080 315 W CA -0.558 56.818 57.345 0.050 0.000 1.208 315 W CB 1.403 30.917 29.460 0.090 0.000 1.396 315 W HN 0.206 nan 8.180 nan 0.000 0.573 316 L N 2.568 123.995 121.223 0.340 0.000 2.401 316 L HA 0.492 4.831 4.340 -0.001 0.000 0.266 316 L C -1.335 175.675 176.870 0.234 0.000 0.991 316 L CA -1.087 53.879 54.840 0.209 0.000 0.818 316 L CB 1.897 44.014 42.059 0.097 0.000 1.321 316 L HN 0.186 nan 8.230 nan 0.000 0.413 317 F N 3.919 123.827 119.950 -0.071 0.000 2.427 317 F HA 0.449 4.976 4.527 -0.001 0.000 0.348 317 F C 0.565 176.245 175.800 -0.198 0.000 1.125 317 F CA -0.996 56.824 58.000 -0.300 0.000 0.989 317 F CB 0.678 39.486 39.000 -0.320 0.000 1.165 317 F HN 0.578 nan 8.300 nan 0.000 0.442 318 N N 4.264 122.702 118.700 -0.436 0.000 2.735 318 N HA -0.199 4.541 4.740 -0.001 0.000 0.248 318 N C 1.062 176.441 175.510 -0.219 0.000 1.083 318 N CA 1.418 54.209 53.050 -0.431 0.000 0.703 318 N CB -1.211 36.851 38.487 -0.709 0.000 1.005 318 N HN 1.360 nan 8.380 nan 0.000 0.550 319 G N -1.935 106.799 108.800 -0.111 0.000 2.199 319 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.254 319 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.254 319 G C 0.003 174.881 174.900 -0.037 0.000 0.982 319 G CA 0.763 45.827 45.100 -0.061 0.000 0.632 319 G HN 0.928 nan 8.290 nan 0.000 0.529 320 S N -0.515 115.164 115.700 -0.036 0.000 2.532 320 S HA 0.662 5.132 4.470 -0.001 0.000 0.301 320 S C 0.636 175.268 174.600 0.054 0.000 1.083 320 S CA 0.213 58.413 58.200 -0.000 0.000 1.025 320 S CB 1.608 64.797 63.200 -0.019 0.000 1.056 320 S HN 1.833 nan 8.310 nan 0.000 0.494 321 V N 4.321 124.273 119.914 0.063 0.000 2.681 321 V HA 0.271 4.391 4.120 -0.001 0.000 0.306 321 V C -0.281 175.892 176.094 0.132 0.000 1.077 321 V CA 0.011 62.370 62.300 0.098 0.000 1.224 321 V CB 0.048 31.917 31.823 0.076 0.000 0.879 321 V HN 0.728 nan 8.190 nan 0.000 0.494 322 L N 6.158 127.489 121.223 0.180 0.000 2.265 322 L HA 0.567 4.907 4.340 -0.001 0.000 0.289 322 L C -0.019 176.940 176.870 0.149 0.000 1.033 322 L CA -0.136 54.813 54.840 0.181 0.000 0.814 322 L CB 0.813 43.009 42.059 0.229 0.000 1.203 322 L HN 0.822 nan 8.230 nan 0.000 0.423 323 N N 4.507 123.275 118.700 0.113 0.000 2.422 323 N HA 0.159 4.899 4.740 -0.001 0.000 0.264 323 N C -0.554 175.010 175.510 0.090 0.000 1.063 323 N CA -0.212 52.896 53.050 0.097 0.000 0.959 323 N CB 0.973 39.506 38.487 0.077 0.000 1.087 323 N HN 0.662 nan 8.380 nan 0.000 0.483 324 E N 0.570 120.830 120.200 0.100 0.000 2.383 324 E HA 0.167 4.517 4.350 -0.001 0.000 0.264 324 E C 0.496 177.146 176.600 0.082 0.000 1.050 324 E CA 0.033 56.495 56.400 0.104 0.000 0.896 324 E CB 0.824 30.609 29.700 0.142 0.000 0.982 324 E HN 0.624 nan 8.360 nan 0.000 0.424 325 T N -2.341 112.265 114.554 0.087 0.000 2.669 325 T HA 0.194 4.543 4.350 -0.001 0.000 0.283 325 T C 0.946 175.616 174.700 -0.049 0.000 1.019 325 T CA -0.277 61.836 62.100 0.022 0.000 1.039 325 T CB 0.924 69.831 68.868 0.064 0.000 1.374 325 T HN 0.340 nan 8.240 nan 0.000 0.523 326 S N -0.505 115.040 115.700 -0.258 0.000 2.515 326 S HA 0.073 4.543 4.470 -0.001 0.000 0.231 326 S C 1.005 175.340 174.600 -0.441 0.000 0.987 326 S CA 0.333 58.228 58.200 -0.508 0.000 0.936 326 S CB -0.812 61.979 63.200 -0.682 0.000 0.766 326 S HN 0.562 nan 8.310 nan 0.000 0.528 327 F N 1.055 121.066 119.950 0.102 0.000 2.678 327 F HA 0.527 5.054 4.527 -0.001 0.000 0.291 327 F C 0.711 176.558 175.800 0.079 0.000 1.123 327 F CA -0.699 57.352 58.000 0.085 0.000 1.395 327 F CB 0.290 39.270 39.000 -0.034 0.000 1.121 327 F HN 0.110 nan 8.300 nan 0.000 0.592 328 I N 1.537 122.270 120.570 0.271 0.000 2.493 328 I HA 0.273 4.443 4.170 -0.001 0.000 0.279 328 I C -1.298 174.902 176.117 0.139 0.000 1.045 328 I CA -0.670 60.650 61.300 0.033 0.000 1.106 328 I CB 1.096 39.064 38.000 -0.054 0.000 1.216 328 I HN -0.162 nan 8.210 nan 0.000 0.459 329 F N 2.020 121.904 119.950 -0.110 0.000 2.645 329 F HA 0.655 5.181 4.527 -0.000 0.000 0.310 329 F C -0.403 175.366 175.800 -0.051 0.000 1.102 329 F CA -1.113 56.851 58.000 -0.059 0.000 0.952 329 F CB 0.855 39.851 39.000 -0.008 0.000 1.326 329 F HN 0.004 nan 8.300 nan 0.000 0.456 330 T N 1.284 115.919 114.554 0.134 0.000 2.897 330 T HA 0.419 4.769 4.350 -0.001 0.000 0.294 330 T C -0.936 173.927 174.700 0.271 0.000 1.004 330 T CA -0.226 61.961 62.100 0.144 0.000 1.106 330 T CB 0.917 69.955 68.868 0.283 0.000 0.949 330 T HN 0.754 nan 8.240 nan 0.000 0.520 331 E N 1.959 122.288 120.200 0.216 0.000 2.278 331 E HA 0.445 4.795 4.350 -0.001 0.000 0.272 331 E C -1.476 175.243 176.600 0.199 0.000 0.890 331 E CA -0.617 55.948 56.400 0.275 0.000 0.770 331 E CB 0.889 30.713 29.700 0.206 0.000 1.212 331 E HN 0.392 nan 8.360 nan 0.000 0.415 332 F N 3.243 123.340 119.950 0.244 0.000 2.397 332 F HA 0.405 4.932 4.527 -0.001 0.000 0.331 332 F C 0.299 176.155 175.800 0.092 0.000 1.090 332 F CA -0.545 57.562 58.000 0.178 0.000 1.065 332 F CB 0.891 40.009 39.000 0.196 0.000 1.184 332 F HN 0.335 nan 8.300 nan 0.000 0.499 333 L N 0.988 122.345 121.223 0.224 0.000 2.454 333 L HA 0.306 4.645 4.340 -0.001 0.000 0.256 333 L C 0.171 177.143 176.870 0.170 0.000 1.136 333 L CA -0.889 54.040 54.840 0.148 0.000 0.804 333 L CB 0.564 42.680 42.059 0.095 0.000 1.181 333 L HN 0.507 nan 8.230 nan 0.000 0.469 334 E N 2.431 122.701 120.200 0.116 0.000 2.442 334 E HA 0.039 4.388 4.350 -0.001 0.000 0.262 334 E C -2.208 174.452 176.600 0.099 0.000 1.004 334 E CA -0.891 55.565 56.400 0.094 0.000 0.928 334 E CB 0.286 30.025 29.700 0.066 0.000 0.937 334 E HN 0.153 nan 8.360 nan 0.000 0.446 335 P HA 0.160 nan 4.420 nan 0.000 0.275 335 P C -1.238 176.104 177.300 0.070 0.000 1.227 335 P CA -0.380 62.764 63.100 0.074 0.000 0.781 335 P CB 1.267 32.995 31.700 0.047 0.000 0.906 336 A N 2.964 125.833 122.820 0.081 0.000 2.322 336 A HA 0.566 4.886 4.320 -0.001 0.000 0.269 336 A C 0.529 178.149 177.584 0.060 0.000 1.094 336 A CA -0.408 51.675 52.037 0.076 0.000 0.807 336 A CB 0.058 19.117 19.000 0.098 0.000 1.047 336 A HN 0.687 nan 8.150 nan 0.000 0.487 337 A N 1.515 124.366 122.820 0.052 0.000 2.445 337 A HA 0.444 4.763 4.320 -0.001 0.000 0.242 337 A C 0.698 178.310 177.584 0.047 0.000 1.075 337 A CA 0.187 52.252 52.037 0.046 0.000 0.777 337 A CB -0.705 18.319 19.000 0.040 0.000 1.013 337 A HN 1.761 nan 8.150 nan 0.000 0.493 338 N N -0.999 117.727 118.700 0.044 0.000 2.725 338 N HA -0.228 4.512 4.740 -0.001 0.000 0.249 338 N C -0.417 175.119 175.510 0.044 0.000 1.103 338 N CA 1.446 54.520 53.050 0.041 0.000 0.707 338 N CB -1.724 36.784 38.487 0.035 0.000 1.043 338 N HN 0.955 nan 8.380 nan 0.000 0.553 339 E N -2.960 117.273 120.200 0.054 0.000 2.372 339 E HA 0.477 4.826 4.350 -0.001 0.000 0.279 339 E C 0.072 176.718 176.600 0.077 0.000 0.946 339 E CA -0.544 55.894 56.400 0.062 0.000 0.769 339 E CB 1.256 30.998 29.700 0.070 0.000 1.230 339 E HN 0.112 nan 8.360 nan 0.000 0.442 340 T N -1.122 113.497 114.554 0.108 0.000 3.037 340 T HA 0.080 4.429 4.350 -0.001 0.000 0.252 340 T C 0.980 175.753 174.700 0.121 0.000 1.073 340 T CA 0.077 62.265 62.100 0.148 0.000 1.091 340 T CB 0.255 69.294 68.868 0.285 0.000 0.935 340 T HN 0.299 nan 8.240 nan 0.000 0.488 341 V N 3.068 123.038 119.914 0.093 0.000 2.673 341 V HA 0.300 4.419 4.120 -0.001 0.000 0.303 341 V C -0.281 175.725 176.094 -0.147 0.000 1.046 341 V CA -0.230 62.072 62.300 0.004 0.000 1.126 341 V CB 0.106 31.928 31.823 -0.002 0.000 0.934 341 V HN 0.365 nan 8.190 nan 0.000 0.487 342 R N 5.232 125.643 120.500 -0.148 0.000 2.637 342 R HA 0.564 4.903 4.340 -0.001 0.000 0.291 342 R C -0.968 175.131 176.300 -0.336 0.000 0.963 342 R CA -0.615 55.435 56.100 -0.082 0.000 0.901 342 R CB 1.740 32.253 30.300 0.355 0.000 1.160 342 R HN 0.825 nan 8.270 nan 0.000 0.457 343 H N -0.480 118.614 119.070 0.040 0.000 2.622 343 H HA 0.739 5.295 4.556 -0.000 0.000 0.363 343 H C 0.294 175.296 175.328 -0.544 0.000 1.151 343 H CA -0.735 55.160 56.048 -0.256 0.000 1.184 343 H CB 2.404 32.086 29.762 -0.133 0.000 1.643 343 H HN 0.863 nan 8.280 nan 0.000 0.531 344 G N -0.276 107.888 108.800 -1.060 0.000 2.427 344 G HA2 0.436 4.396 3.960 -0.001 0.000 0.306 344 G HA3 0.436 4.396 3.960 -0.001 0.000 0.306 344 G C -1.621 172.807 174.900 -0.786 0.000 1.280 344 G CA -0.328 44.175 45.100 -0.996 0.000 0.837 344 G HN 0.729 nan 8.290 nan 0.000 0.482 345 c N -0.855 117.661 118.600 -0.140 0.000 2.994 345 c HA 0.704 5.274 4.570 -0.001 0.000 0.305 345 c C -0.652 173.541 174.090 0.172 0.000 1.251 345 c CA -0.644 55.745 56.329 0.099 0.000 1.478 345 c CB 1.211 43.695 42.510 -0.043 0.000 1.922 345 c HN 0.906 nan 8.230 nan 0.000 0.472 346 L N 3.160 124.388 121.223 0.008 0.000 2.265 346 L HA 0.551 4.890 4.340 -0.001 0.000 0.288 346 L C 0.051 176.661 176.870 -0.433 0.000 1.058 346 L CA 0.396 54.954 54.840 -0.470 0.000 0.809 346 L CB 0.026 41.367 42.059 -1.196 0.000 1.179 346 L HN 0.592 nan 8.230 nan 0.000 0.429 347 R N 6.219 126.378 120.500 -0.568 0.000 2.229 347 R HA 0.545 4.884 4.340 -0.001 0.000 0.328 347 R C -1.310 174.643 176.300 -0.579 0.000 1.009 347 R CA -0.812 54.939 56.100 -0.581 0.000 0.864 347 R CB 1.043 30.845 30.300 -0.830 0.000 1.085 347 R HN 0.517 nan 8.270 nan 0.000 0.453 348 L N 3.465 124.436 121.223 -0.420 0.000 2.294 348 L HA 0.275 4.615 4.340 -0.001 0.000 0.283 348 L C -0.004 176.618 176.870 -0.413 0.000 1.015 348 L CA -0.634 53.943 54.840 -0.438 0.000 0.831 348 L CB 1.022 42.685 42.059 -0.660 0.000 1.217 348 L HN 0.532 nan 8.230 nan 0.000 0.420 349 N N 4.860 123.303 118.700 -0.428 0.000 2.482 349 N HA 0.071 4.811 4.740 -0.001 0.000 0.242 349 N C -0.198 175.133 175.510 -0.298 0.000 1.100 349 N CA 0.174 52.887 53.050 -0.562 0.000 0.946 349 N CB 0.354 38.686 38.487 -0.258 0.000 1.227 349 N HN 0.522 nan 8.380 nan 0.000 0.508 350 Q N 0.604 120.270 119.800 -0.224 0.000 2.448 350 Q HA -0.158 4.181 4.340 -0.001 0.000 0.357 350 Q C -2.166 173.705 176.000 -0.215 0.000 1.443 350 Q CA 0.189 55.908 55.803 -0.141 0.000 0.996 350 Q CB -1.011 27.648 28.738 -0.131 0.000 1.180 350 Q HN 0.561 nan 8.270 nan 0.000 0.338 351 P HA 0.262 nan 4.420 nan 0.000 0.278 351 P C -0.084 177.121 177.300 -0.160 0.000 1.266 351 P CA -0.172 62.713 63.100 -0.360 0.000 0.807 351 P CB 1.285 32.472 31.700 -0.856 0.000 1.094 352 T N -3.323 111.194 114.554 -0.062 0.000 2.762 352 T HA 0.257 4.607 4.350 -0.001 0.000 0.272 352 T C 1.560 176.296 174.700 0.059 0.000 0.982 352 T CA -0.407 61.705 62.100 0.019 0.000 1.013 352 T CB 0.055 68.906 68.868 -0.029 0.000 1.309 352 T HN 0.579 nan 8.240 nan 0.000 0.572 353 H N 0.423 119.515 119.070 0.037 0.000 2.489 353 H HA -0.070 4.485 4.556 -0.001 0.000 0.295 353 H C 1.862 177.221 175.328 0.052 0.000 1.082 353 H CA 1.764 57.823 56.048 0.018 0.000 1.295 353 H CB -1.149 28.615 29.762 0.003 0.000 1.380 353 H HN 0.465 nan 8.280 nan 0.000 0.548 354 V N -0.687 118.872 119.914 -0.591 0.000 3.305 354 V HA -0.058 4.061 4.120 -0.001 0.000 0.269 354 V C 0.668 176.764 176.094 0.003 0.000 1.157 354 V CA 1.517 63.630 62.300 -0.313 0.000 1.157 354 V CB -0.841 30.773 31.823 -0.349 0.000 0.772 354 V HN 0.224 nan 8.190 nan 0.000 0.498 355 N N 0.231 118.960 118.700 0.050 0.000 2.205 355 N HA 0.164 4.904 4.740 -0.001 0.000 0.201 355 N C -0.089 175.534 175.510 0.189 0.000 1.128 355 N CA -0.210 52.906 53.050 0.110 0.000 0.867 355 N CB -0.045 38.567 38.487 0.209 0.000 0.996 355 N HN 0.442 nan 8.380 nan 0.000 0.503 356 N N 0.945 119.682 118.700 0.061 0.000 2.492 356 N HA 0.456 5.195 4.740 -0.001 0.000 0.262 356 N C 0.532 176.201 175.510 0.265 0.000 1.202 356 N CA 0.588 53.576 53.050 -0.103 0.000 0.926 356 N CB 1.023 39.452 38.487 -0.098 0.000 1.078 356 N HN 0.290 nan 8.380 nan 0.000 0.454 357 G N 0.735 109.689 108.800 0.256 0.000 2.343 357 G HA2 0.048 4.008 3.960 -0.001 0.000 0.289 357 G HA3 0.048 4.008 3.960 -0.001 0.000 0.289 357 G C -1.507 173.549 174.900 0.260 0.000 1.295 357 G CA -0.982 44.283 45.100 0.274 0.000 0.869 357 G HN 0.597 nan 8.290 nan 0.000 0.522 358 N N -0.295 118.445 118.700 0.068 0.000 2.414 358 N HA 0.567 5.306 4.740 -0.001 0.000 0.256 358 N C -1.390 174.186 175.510 0.109 0.000 1.029 358 N CA -0.308 52.807 53.050 0.109 0.000 0.948 358 N CB 0.313 38.809 38.487 0.014 0.000 1.102 358 N HN 0.392 nan 8.380 nan 0.000 0.496 359 Y N 1.673 122.150 120.300 0.295 0.000 2.335 359 Y HA 0.325 4.875 4.550 -0.000 0.000 0.339 359 Y C 0.396 176.497 175.900 0.335 0.000 0.987 359 Y CA -0.514 57.828 58.100 0.405 0.000 1.140 359 Y CB 1.544 40.265 38.460 0.435 0.000 1.173 359 Y HN 0.319 nan 8.280 nan 0.000 0.486 360 T N 5.410 120.180 114.554 0.360 0.000 2.779 360 T HA 0.421 4.770 4.350 -0.001 0.000 0.280 360 T C -1.157 173.452 174.700 -0.151 0.000 0.987 360 T CA -0.568 61.592 62.100 0.101 0.000 0.966 360 T CB 0.844 69.735 68.868 0.038 0.000 0.933 360 T HN 0.345 nan 8.240 nan 0.000 0.442 361 L N 5.117 126.055 121.223 -0.474 0.000 2.296 361 L HA 0.586 4.925 4.340 -0.001 0.000 0.286 361 L C -1.435 175.134 176.870 -0.502 0.000 1.023 361 L CA -0.713 53.547 54.840 -0.967 0.000 0.812 361 L CB 0.638 41.967 42.059 -1.217 0.000 1.223 361 L HN 0.390 nan 8.230 nan 0.000 0.421 362 L N 5.589 126.552 121.223 -0.432 0.000 2.305 362 L HA 0.723 5.063 4.340 -0.001 0.000 0.284 362 L C -0.031 176.706 176.870 -0.222 0.000 1.013 362 L CA -0.537 54.160 54.840 -0.239 0.000 0.819 362 L CB 0.902 42.872 42.059 -0.147 0.000 1.227 362 L HN 0.830 nan 8.230 nan 0.000 0.417 363 A N 3.273 125.998 122.820 -0.159 0.000 2.291 363 A HA 0.864 5.183 4.320 -0.001 0.000 0.311 363 A C -0.272 177.273 177.584 -0.064 0.000 1.224 363 A CA -0.393 51.576 52.037 -0.113 0.000 0.821 363 A CB 1.166 20.106 19.000 -0.101 0.000 1.172 363 A HN 0.781 nan 8.150 nan 0.000 0.494 364 A N 3.599 126.392 122.820 -0.046 0.000 2.355 364 A HA 0.852 5.172 4.320 -0.001 0.000 0.317 364 A C -0.474 177.100 177.584 -0.016 0.000 1.094 364 A CA -0.662 51.359 52.037 -0.026 0.000 0.764 364 A CB 1.073 20.057 19.000 -0.026 0.000 1.230 364 A HN 1.169 nan 8.150 nan 0.000 0.448 365 N N 1.310 120.009 118.700 -0.002 0.000 2.972 365 N HA 0.445 5.185 4.740 -0.001 0.000 0.262 365 N C -2.878 172.613 175.510 -0.031 0.000 1.478 365 N CA -1.647 51.398 53.050 -0.009 0.000 0.841 365 N CB 0.473 38.971 38.487 0.018 0.000 1.512 365 N HN 0.048 nan 8.380 nan 0.000 0.548 366 P HA 0.022 nan 4.420 nan 0.000 0.224 366 P C 0.351 177.470 177.300 -0.302 0.000 1.142 366 P CA 1.176 64.128 63.100 -0.246 0.000 0.778 366 P CB -0.142 31.338 31.700 -0.367 0.000 0.764 367 F N -1.950 117.975 119.950 -0.042 0.000 2.698 367 F HA 0.320 4.847 4.527 -0.000 0.000 0.295 367 F C 1.783 177.566 175.800 -0.028 0.000 1.124 367 F CA 0.785 58.766 58.000 -0.031 0.000 1.426 367 F CB 0.053 39.032 39.000 -0.035 0.000 1.120 367 F HN -0.023 nan 8.300 nan 0.000 0.583 368 G N -0.102 108.772 108.800 0.123 0.000 2.292 368 G HA2 0.149 4.109 3.960 -0.001 0.000 0.194 368 G HA3 0.149 4.109 3.960 -0.001 0.000 0.194 368 G C -1.665 173.257 174.900 0.036 0.000 1.329 368 G CA -0.675 44.463 45.100 0.063 0.000 1.100 368 G HN 0.132 nan 8.290 nan 0.000 0.470 369 Q N -0.245 119.565 119.800 0.017 0.000 2.345 369 Q HA 0.697 5.037 4.340 -0.001 0.000 0.275 369 Q C -0.949 175.040 176.000 -0.018 0.000 1.063 369 Q CA -0.348 55.450 55.803 -0.008 0.000 0.819 369 Q CB 2.035 30.762 28.738 -0.019 0.000 1.356 369 Q HN 1.730 nan 8.270 nan 0.000 0.418 370 A N 1.881 124.680 122.820 -0.035 0.000 2.340 370 A HA 0.820 5.140 4.320 -0.001 0.000 0.331 370 A C -1.007 176.538 177.584 -0.066 0.000 1.140 370 A CA -0.440 51.573 52.037 -0.040 0.000 0.801 370 A CB 2.065 21.043 19.000 -0.037 0.000 1.234 370 A HN 0.568 nan 8.150 nan 0.000 0.469 371 S N -0.393 115.271 115.700 -0.060 0.000 2.546 371 S HA 0.797 5.266 4.470 -0.001 0.000 0.274 371 S C -0.964 173.595 174.600 -0.069 0.000 1.121 371 S CA 0.198 58.350 58.200 -0.080 0.000 0.887 371 S CB 1.540 64.703 63.200 -0.061 0.000 1.094 371 S HN 2.156 nan 8.310 nan 0.000 0.474 372 A N 2.494 125.259 122.820 -0.091 0.000 2.488 372 A HA 0.823 5.143 4.320 -0.001 0.000 0.298 372 A C -0.785 176.780 177.584 -0.032 0.000 1.044 372 A CA -0.546 51.457 52.037 -0.057 0.000 0.693 372 A CB 1.841 20.804 19.000 -0.062 0.000 1.272 372 A HN 0.689 nan 8.150 nan 0.000 0.402 373 S N 0.191 115.903 115.700 0.021 0.000 2.599 373 S HA 0.862 5.332 4.470 -0.001 0.000 0.294 373 S C -1.108 173.564 174.600 0.118 0.000 1.094 373 S CA -0.392 57.856 58.200 0.081 0.000 0.931 373 S CB 1.622 64.859 63.200 0.061 0.000 1.093 373 S HN 1.247 nan 8.310 nan 0.000 0.488 374 I N 1.577 122.264 120.570 0.195 0.000 2.841 374 I HA 0.483 4.653 4.170 -0.001 0.000 0.298 374 I C -1.720 174.531 176.117 0.223 0.000 1.304 374 I CA -0.762 60.650 61.300 0.187 0.000 1.019 374 I CB 1.771 39.891 38.000 0.200 0.000 1.282 374 I HN 0.528 nan 8.210 nan 0.000 0.432 375 M N 5.623 125.311 119.600 0.148 0.000 2.216 375 M HA 0.709 5.189 4.480 -0.001 0.000 0.356 375 M C -0.332 176.019 176.300 0.084 0.000 1.205 375 M CA -0.375 54.998 55.300 0.122 0.000 1.122 375 M CB 0.733 33.367 32.600 0.056 0.000 1.571 375 M HN 0.758 nan 8.290 nan 0.000 0.464 376 A N 2.775 125.614 122.820 0.033 0.000 2.393 376 A HA 0.905 5.225 4.320 -0.001 0.000 0.306 376 A C -1.077 176.137 177.584 -0.616 0.000 1.050 376 A CA -0.666 51.230 52.037 -0.234 0.000 0.724 376 A CB 1.413 20.274 19.000 -0.232 0.000 1.248 376 A HN 0.850 nan 8.150 nan 0.000 0.424 377 A N 1.439 123.848 122.820 -0.685 0.000 2.340 377 A HA 0.694 5.014 4.320 -0.001 0.000 0.297 377 A C -0.545 176.572 177.584 -0.778 0.000 1.195 377 A CA -0.440 51.191 52.037 -0.675 0.000 0.769 377 A CB 0.025 18.859 19.000 -0.277 0.000 1.163 377 A HN 0.847 nan 8.150 nan 0.000 0.472 378 F N 0.757 120.432 119.950 -0.458 0.000 2.714 378 F HA 0.510 5.036 4.527 -0.001 0.000 0.294 378 F C 0.570 176.192 175.800 -0.296 0.000 1.120 378 F CA 0.092 57.647 58.000 -0.742 0.000 1.398 378 F CB 0.162 38.584 39.000 -0.964 0.000 1.120 378 F HN 0.476 nan 8.300 nan 0.000 0.589 379 M N -0.425 119.152 119.600 -0.038 0.000 2.490 379 M HA 0.219 4.699 4.480 -0.001 0.000 0.286 379 M C -1.602 174.720 176.300 0.035 0.000 1.185 379 M CA -0.668 54.660 55.300 0.045 0.000 0.912 379 M CB 1.768 34.435 32.600 0.111 0.000 1.744 379 M HN -0.243 nan 8.290 nan 0.000 0.494 380 D N 2.001 122.412 120.400 0.018 0.000 2.393 380 D HA 0.291 4.931 4.640 -0.001 0.000 0.246 380 D C -0.481 175.784 176.300 -0.058 0.000 1.275 380 D CA 0.220 54.213 54.000 -0.012 0.000 0.979 380 D CB 0.478 41.266 40.800 -0.020 0.000 1.101 380 D HN 0.736 nan 8.370 nan 0.000 0.505 381 N N -0.727 117.902 118.700 -0.119 0.000 2.785 381 N HA 0.203 4.943 4.740 -0.001 0.000 0.224 381 N C -2.321 173.044 175.510 -0.242 0.000 1.448 381 N CA -0.901 51.956 53.050 -0.322 0.000 0.748 381 N CB 0.754 39.087 38.487 -0.257 0.000 1.385 381 N HN 0.163 nan 8.380 nan 0.000 0.538 382 P HA 0.000 nan 4.420 nan 0.000 0.216 382 P CA 0.000 63.031 63.100 -0.115 0.000 0.800 382 P CB 0.000 31.649 31.700 -0.086 0.000 0.726