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 1sks_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGIFKK DATA SEQUENCE PKNXXXXXXR EPCELDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVEXXXXX XXXXXXKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.376 176.300 0.127 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.560 32.600 -0.067 0.000 1.302 2 I N 1.725 122.324 120.570 0.050 0.000 2.785 2 I HA 0.900 5.068 4.170 -0.002 0.000 0.302 2 I C -1.505 174.619 176.117 0.012 0.000 1.069 2 I CA -1.014 60.299 61.300 0.022 0.000 1.045 2 I CB 2.350 40.309 38.000 -0.069 0.000 1.236 2 I HN 0.432 nan 8.210 nan 0.000 0.429 3 V N 3.243 123.173 119.914 0.026 0.000 2.495 3 V HA 0.668 4.787 4.120 -0.002 0.000 0.298 3 V C -0.081 175.979 176.094 -0.057 0.000 1.031 3 V CA -0.218 62.079 62.300 -0.005 0.000 0.871 3 V CB 1.429 33.292 31.823 0.066 0.000 0.988 3 V HN 0.900 nan 8.190 nan 0.000 0.432 4 S N 2.475 118.062 115.700 -0.189 0.000 2.651 4 S HA 0.775 5.243 4.470 -0.002 0.000 0.279 4 S C -1.988 172.694 174.600 0.137 0.000 1.148 4 S CA -0.505 57.650 58.200 -0.074 0.000 0.837 4 S CB 2.127 65.203 63.200 -0.208 0.000 1.138 4 S HN 0.979 nan 8.310 nan 0.000 0.478 5 D N 0.200 120.836 120.400 0.394 0.000 2.706 5 D HA 0.561 5.199 4.640 -0.002 0.000 0.225 5 D C -1.210 175.321 176.300 0.386 0.000 1.241 5 D CA -0.498 53.791 54.000 0.481 0.000 0.784 5 D CB 1.267 42.260 40.800 0.322 0.000 1.521 5 D HN 0.694 nan 8.370 nan 0.000 0.461 6 I N -1.233 119.527 120.570 0.316 0.000 2.934 6 I HA 0.754 4.922 4.170 -0.002 0.000 0.306 6 I C -1.170 174.986 176.117 0.066 0.000 1.110 6 I CA -0.731 60.641 61.300 0.120 0.000 1.019 6 I CB 2.396 40.475 38.000 0.132 0.000 1.227 6 I HN 0.085 nan 8.210 nan 0.000 0.434 7 E N 3.262 123.416 120.200 -0.077 0.000 2.199 7 E HA 0.756 5.105 4.350 -0.002 0.000 0.265 7 E C -0.898 175.652 176.600 -0.083 0.000 0.882 7 E CA -0.671 55.744 56.400 0.025 0.000 0.759 7 E CB 2.210 31.995 29.700 0.142 0.000 1.148 7 E HN 0.873 nan 8.360 nan 0.000 0.412 8 A N 2.381 125.186 122.820 -0.024 0.000 2.437 8 A HA 0.429 4.748 4.320 -0.002 0.000 0.288 8 A C 0.578 178.102 177.584 -0.101 0.000 1.201 8 A CA -0.649 51.271 52.037 -0.194 0.000 0.795 8 A CB 0.765 19.701 19.000 -0.106 0.000 1.359 8 A HN 0.581 nan 8.150 nan 0.000 0.435 9 N N -0.292 118.256 118.700 -0.253 0.000 2.461 9 N HA 0.376 5.114 4.740 -0.002 0.000 0.188 9 N C 0.089 175.651 175.510 0.086 0.000 1.134 9 N CA 1.030 54.125 53.050 0.075 0.000 0.878 9 N CB 0.186 38.700 38.487 0.045 0.000 0.972 9 N HN 1.166 nan 8.380 nan 0.000 0.456 10 A N -0.484 122.309 122.820 -0.046 0.000 2.467 10 A HA 0.514 4.833 4.320 -0.002 0.000 0.301 10 A C -1.218 176.322 177.584 -0.073 0.000 1.126 10 A CA -0.847 51.146 52.037 -0.074 0.000 0.632 10 A CB 0.015 19.011 19.000 -0.007 0.000 1.331 10 A HN 0.074 nan 8.150 nan 0.000 0.482 11 L N 0.751 121.928 121.223 -0.076 0.000 2.466 11 L HA 0.182 4.521 4.340 -0.002 0.000 0.257 11 L C 1.861 178.802 176.870 0.118 0.000 1.189 11 L CA -0.488 54.346 54.840 -0.011 0.000 0.813 11 L CB 0.303 42.314 42.059 -0.079 0.000 1.118 11 L HN 0.898 nan 8.230 nan 0.000 0.471 12 L N 1.560 122.918 121.223 0.225 0.000 2.010 12 L HA -0.294 4.045 4.340 -0.002 0.000 0.219 12 L C 2.292 179.137 176.870 -0.042 0.000 1.077 12 L CA 2.079 56.942 54.840 0.038 0.000 0.773 12 L CB -0.583 41.478 42.059 0.003 0.000 0.892 12 L HN 0.666 nan 8.230 nan 0.000 0.436 13 E N -0.285 119.883 120.200 -0.052 0.000 2.136 13 E HA -0.214 4.135 4.350 -0.002 0.000 0.202 13 E C 1.778 178.340 176.600 -0.064 0.000 1.019 13 E CA 1.926 58.275 56.400 -0.085 0.000 0.819 13 E CB -0.414 29.233 29.700 -0.089 0.000 0.739 13 E HN 0.752 nan 8.360 nan 0.000 0.458 14 S N -0.946 114.728 115.700 -0.044 0.000 2.819 14 S HA 0.234 4.703 4.470 -0.002 0.000 0.249 14 S C 0.337 174.914 174.600 -0.037 0.000 1.030 14 S CA -0.575 57.602 58.200 -0.039 0.000 1.052 14 S CB 0.269 63.451 63.200 -0.029 0.000 1.017 14 S HN 0.089 nan 8.310 nan 0.000 0.576 15 V N 3.600 123.490 119.914 -0.041 0.000 2.788 15 V HA 0.308 4.426 4.120 -0.002 0.000 0.307 15 V C 1.151 177.204 176.094 -0.070 0.000 1.069 15 V CA 1.630 63.898 62.300 -0.054 0.000 1.173 15 V CB 1.218 33.002 31.823 -0.065 0.000 0.925 15 V HN 0.745 nan 8.190 nan 0.000 0.492 16 T N 2.153 116.659 114.554 -0.079 0.000 3.092 16 T HA 0.329 4.678 4.350 -0.002 0.000 0.273 16 T C 0.250 174.891 174.700 -0.098 0.000 0.898 16 T CA -0.205 61.851 62.100 -0.073 0.000 0.868 16 T CB 0.058 68.896 68.868 -0.050 0.000 1.228 16 T HN 0.551 nan 8.240 nan 0.000 0.555 17 K N 0.636 120.941 120.400 -0.160 0.000 2.468 17 K HA 0.576 4.895 4.320 -0.002 0.000 0.252 17 K C -1.975 174.403 176.600 -0.370 0.000 0.932 17 K CA -1.017 55.139 56.287 -0.218 0.000 0.794 17 K CB 2.290 34.685 32.500 -0.175 0.000 1.241 17 K HN 0.156 nan 8.250 nan 0.000 0.428 18 F N 4.404 124.024 119.950 -0.550 0.000 2.424 18 F HA 0.238 4.764 4.527 -0.002 0.000 0.356 18 F C 0.771 176.329 175.800 -0.404 0.000 1.110 18 F CA 0.111 57.717 58.000 -0.657 0.000 1.161 18 F CB 0.572 38.812 39.000 -1.267 0.000 1.115 18 F HN 0.688 nan 8.300 nan 0.000 0.507 19 H N 4.909 123.538 119.070 -0.735 0.000 2.337 19 H HA 0.194 4.749 4.556 -0.002 0.000 0.311 19 H C 0.486 175.293 175.328 -0.868 0.000 1.054 19 H CA 1.222 56.980 56.048 -0.484 0.000 1.385 19 H CB 0.022 29.737 29.762 -0.078 0.000 1.437 19 H HN 0.660 nan 8.280 nan 0.000 0.553 20 C N -1.763 116.937 119.300 -1.000 0.000 3.306 20 C HA 0.847 5.306 4.460 -0.002 0.000 0.335 20 C C 0.230 174.833 174.990 -0.645 0.000 1.382 20 C CA -0.405 58.147 59.018 -0.776 0.000 1.254 20 C CB 1.572 29.207 27.740 -0.175 0.000 1.555 20 C HN 0.588 nan 8.230 nan 0.000 0.463 21 G N -0.406 108.330 108.800 -0.107 0.000 2.704 21 G HA2 0.757 4.715 3.960 -0.002 0.000 0.293 21 G HA3 0.757 4.715 3.960 -0.002 0.000 0.293 21 G C -2.014 173.080 174.900 0.323 0.000 1.421 21 G CA -0.582 44.517 45.100 -0.002 0.000 0.870 21 G HN 1.442 nan 8.290 nan 0.000 0.492 22 V N 0.918 121.068 119.914 0.392 0.000 2.760 22 V HA 0.586 4.705 4.120 -0.002 0.000 0.309 22 V C -0.579 175.776 176.094 0.435 0.000 1.077 22 V CA -0.578 61.988 62.300 0.443 0.000 0.910 22 V CB 1.835 33.859 31.823 0.335 0.000 1.008 22 V HN 0.682 nan 8.190 nan 0.000 0.424 23 I N 3.880 124.701 120.570 0.418 0.000 2.545 23 I HA 0.459 4.627 4.170 -0.002 0.000 0.292 23 I C -1.574 174.602 176.117 0.100 0.000 1.040 23 I CA -0.833 60.609 61.300 0.237 0.000 1.068 23 I CB 2.222 40.345 38.000 0.204 0.000 1.251 23 I HN 0.676 nan 8.210 nan 0.000 0.424 24 Y N 5.549 125.743 120.300 -0.177 0.000 2.328 24 Y HA 0.386 4.935 4.550 -0.002 0.000 0.336 24 Y C -0.799 174.906 175.900 -0.326 0.000 0.960 24 Y CA -0.648 57.180 58.100 -0.454 0.000 1.134 24 Y CB 1.130 39.146 38.460 -0.740 0.000 1.166 24 Y HN 0.445 nan 8.280 nan 0.000 0.464 25 D N 4.924 124.765 120.400 -0.931 0.000 2.329 25 D HA 0.075 4.714 4.640 -0.002 0.000 0.232 25 D C 0.137 175.944 176.300 -0.823 0.000 1.088 25 D CA -0.078 53.556 54.000 -0.610 0.000 0.835 25 D CB 0.859 41.458 40.800 -0.336 0.000 1.078 25 D HN 0.737 nan 8.370 nan 0.000 0.495 26 Y N 1.570 121.618 120.300 -0.420 0.000 2.274 26 Y HA -0.213 4.336 4.550 -0.002 0.000 0.290 26 Y C 2.620 178.416 175.900 -0.173 0.000 1.145 26 Y CA 1.510 59.476 58.100 -0.225 0.000 1.203 26 Y CB 0.048 38.483 38.460 -0.042 0.000 0.984 26 Y HN 0.439 nan 8.280 nan 0.000 0.533 27 S N -1.893 113.792 115.700 -0.025 0.000 2.515 27 S HA -0.101 4.367 4.470 -0.002 0.000 0.231 27 S C 1.623 176.182 174.600 -0.070 0.000 0.987 27 S CA 1.199 59.381 58.200 -0.029 0.000 0.936 27 S CB -0.644 62.538 63.200 -0.030 0.000 0.766 27 S HN 0.516 nan 8.310 nan 0.000 0.528 28 T N -3.757 110.708 114.554 -0.149 0.000 3.016 28 T HA 0.628 4.977 4.350 -0.002 0.000 0.271 28 T C 0.954 175.553 174.700 -0.169 0.000 0.968 28 T CA 0.617 62.637 62.100 -0.133 0.000 0.891 28 T CB -0.074 68.718 68.868 -0.128 0.000 1.149 28 T HN 1.273 nan 8.240 nan 0.000 0.524 29 A N 0.605 123.241 122.820 -0.307 0.000 2.799 29 A HA -0.162 4.157 4.320 -0.002 0.000 0.287 29 A C 0.021 177.502 177.584 -0.171 0.000 1.484 29 A CA 1.394 53.270 52.037 -0.268 0.000 0.813 29 A CB -2.437 16.564 19.000 0.003 0.000 1.009 29 A HN 0.786 nan 8.150 nan 0.000 0.545 30 E N -1.801 118.193 120.200 -0.344 0.000 2.256 30 E HA 0.629 4.978 4.350 -0.002 0.000 0.267 30 E C -1.079 175.463 176.600 -0.097 0.000 0.892 30 E CA -0.834 55.520 56.400 -0.076 0.000 0.775 30 E CB 1.127 30.805 29.700 -0.037 0.000 1.207 30 E HN 0.372 nan 8.360 nan 0.000 0.420 31 Y N 0.594 120.944 120.300 0.083 0.000 2.326 31 Y HA 0.362 4.910 4.550 -0.002 0.000 0.337 31 Y C -0.213 175.727 175.900 0.066 0.000 1.023 31 Y CA -0.636 57.540 58.100 0.126 0.000 1.143 31 Y CB 1.203 39.746 38.460 0.139 0.000 1.183 31 Y HN 0.159 nan 8.280 nan 0.000 0.485 32 V N 3.110 123.151 119.914 0.211 0.000 2.540 32 V HA 0.451 4.570 4.120 -0.002 0.000 0.302 32 V C -0.351 175.825 176.094 0.137 0.000 1.035 32 V CA -0.870 61.484 62.300 0.091 0.000 0.873 32 V CB 1.800 33.630 31.823 0.012 0.000 0.992 32 V HN 0.782 nan 8.190 nan 0.000 0.428 33 S N 3.360 119.067 115.700 0.013 0.000 2.565 33 S HA 0.775 5.244 4.470 -0.002 0.000 0.290 33 S C -1.287 173.269 174.600 -0.074 0.000 1.150 33 S CA -0.386 57.879 58.200 0.108 0.000 1.058 33 S CB 0.990 64.254 63.200 0.106 0.000 1.032 33 S HN 0.558 nan 8.310 nan 0.000 0.510 34 Y N 1.021 121.424 120.300 0.171 0.000 2.329 34 Y HA 0.441 4.989 4.550 -0.002 0.000 0.328 34 Y C 0.580 176.534 175.900 0.091 0.000 0.992 34 Y CA -0.799 57.411 58.100 0.184 0.000 1.151 34 Y CB 1.103 39.761 38.460 0.329 0.000 1.150 34 Y HN 0.471 nan 8.280 nan 0.000 0.450 35 R N 3.840 124.403 120.500 0.106 0.000 2.531 35 R HA 0.302 4.641 4.340 -0.002 0.000 0.260 35 R C -1.513 174.751 176.300 -0.059 0.000 1.144 35 R CA -1.787 54.191 56.100 -0.203 0.000 1.171 35 R CB 0.215 30.354 30.300 -0.268 0.000 1.199 35 R HN 0.318 nan 8.270 nan 0.000 0.594 36 P HA -0.246 nan 4.420 nan 0.000 0.218 36 P C 0.783 178.174 177.300 0.151 0.000 1.154 36 P CA 1.845 64.956 63.100 0.018 0.000 0.872 36 P CB -0.067 31.584 31.700 -0.081 0.000 0.790 37 S N -1.785 113.963 115.700 0.080 0.000 2.603 37 S HA -0.026 4.443 4.470 -0.002 0.000 0.229 37 S C 1.035 175.717 174.600 0.137 0.000 0.972 37 S CA 0.413 58.675 58.200 0.102 0.000 0.935 37 S CB -0.753 62.486 63.200 0.065 0.000 0.769 37 S HN 0.125 nan 8.310 nan 0.000 0.536 38 D N 0.103 120.628 120.400 0.208 0.000 2.431 38 D HA 0.202 4.841 4.640 -0.002 0.000 0.213 38 D C 0.866 177.341 176.300 0.291 0.000 1.130 38 D CA -0.244 53.918 54.000 0.270 0.000 0.834 38 D CB -0.143 40.872 40.800 0.359 0.000 0.985 38 D HN 0.305 nan 8.370 nan 0.000 0.504 39 F N 2.867 122.798 119.950 -0.032 0.000 2.063 39 F HA -0.177 4.349 4.527 -0.002 0.000 0.298 39 F C 2.242 177.862 175.800 -0.301 0.000 1.109 39 F CA 1.887 59.617 58.000 -0.449 0.000 1.212 39 F CB -0.785 37.898 39.000 -0.529 0.000 0.973 39 F HN 0.035 nan 8.300 nan 0.000 0.480 40 G N -0.667 107.987 108.800 -0.244 0.000 2.440 40 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.218 40 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.218 40 G C 1.837 176.615 174.900 -0.203 0.000 1.154 40 G CA 1.152 46.062 45.100 -0.316 0.000 0.767 40 G HN 0.661 nan 8.290 nan 0.000 0.552 41 A N -0.253 122.552 122.820 -0.025 0.000 1.930 41 A HA 0.040 4.359 4.320 -0.002 0.000 0.217 41 A C 2.159 179.723 177.584 -0.033 0.000 1.175 41 A CA 1.592 53.675 52.037 0.077 0.000 0.627 41 A CB -0.604 18.560 19.000 0.273 0.000 0.815 41 A HN 0.466 nan 8.150 nan 0.000 0.443 42 Y N 0.780 120.877 120.300 -0.337 0.000 2.097 42 Y HA -0.218 4.331 4.550 -0.002 0.000 0.282 42 Y C 1.956 177.556 175.900 -0.501 0.000 1.152 42 Y CA 2.032 59.661 58.100 -0.785 0.000 1.136 42 Y CB -0.393 37.696 38.460 -0.619 0.000 0.975 42 Y HN 0.219 nan 8.280 nan 0.000 0.498 43 L N -0.144 120.743 121.223 -0.560 0.000 2.042 43 L HA -0.252 4.087 4.340 -0.002 0.000 0.210 43 L C 2.109 178.794 176.870 -0.308 0.000 1.076 43 L CA 1.594 56.037 54.840 -0.661 0.000 0.749 43 L CB -0.673 40.833 42.059 -0.922 0.000 0.893 43 L HN 0.237 nan 8.230 nan 0.000 0.432 44 D N 0.240 120.497 120.400 -0.237 0.000 2.144 44 D HA -0.141 4.498 4.640 -0.002 0.000 0.199 44 D C 2.237 178.476 176.300 -0.102 0.000 0.984 44 D CA 1.448 55.382 54.000 -0.110 0.000 0.834 44 D CB 0.004 40.759 40.800 -0.075 0.000 0.955 44 D HN 0.326 nan 8.370 nan 0.000 0.465 45 A N 0.718 123.436 122.820 -0.169 0.000 1.933 45 A HA -0.101 4.217 4.320 -0.002 0.000 0.218 45 A C 2.376 179.863 177.584 -0.161 0.000 1.175 45 A CA 0.802 52.753 52.037 -0.143 0.000 0.628 45 A CB -0.596 18.307 19.000 -0.162 0.000 0.814 45 A HN 0.188 nan 8.150 nan 0.000 0.444 46 L N -0.961 120.130 121.223 -0.220 0.000 2.044 46 L HA -0.143 4.196 4.340 -0.002 0.000 0.205 46 L C 2.490 179.361 176.870 0.002 0.000 1.075 46 L CA 1.454 56.237 54.840 -0.094 0.000 0.747 46 L CB -0.718 41.350 42.059 0.016 0.000 0.903 46 L HN 0.437 nan 8.230 nan 0.000 0.435 47 E N 0.392 120.625 120.200 0.055 0.000 2.204 47 E HA -0.187 4.162 4.350 -0.002 0.000 0.195 47 E C 2.245 178.835 176.600 -0.017 0.000 0.990 47 E CA 0.970 57.382 56.400 0.020 0.000 0.821 47 E CB -0.078 29.656 29.700 0.055 0.000 0.750 47 E HN 0.487 nan 8.360 nan 0.000 0.477 48 A N 1.433 124.239 122.820 -0.024 0.000 1.873 48 A HA -0.226 4.093 4.320 -0.002 0.000 0.215 48 A C 2.085 179.654 177.584 -0.025 0.000 1.186 48 A CA 1.583 53.605 52.037 -0.025 0.000 0.616 48 A CB -0.364 18.620 19.000 -0.027 0.000 0.823 48 A HN 0.128 nan 8.150 nan 0.000 0.442 49 E N 0.034 120.214 120.200 -0.033 0.000 2.160 49 E HA -0.130 4.219 4.350 -0.002 0.000 0.195 49 E C 1.700 178.289 176.600 -0.018 0.000 0.991 49 E CA 1.570 57.952 56.400 -0.029 0.000 0.810 49 E CB -0.373 29.301 29.700 -0.043 0.000 0.742 49 E HN 0.269 nan 8.360 nan 0.000 0.466 50 V N 0.378 120.275 119.914 -0.029 0.000 2.548 50 V HA -0.136 3.983 4.120 -0.002 0.000 0.249 50 V C 2.266 178.350 176.094 -0.016 0.000 1.055 50 V CA 1.463 63.739 62.300 -0.039 0.000 1.065 50 V CB -0.682 31.092 31.823 -0.081 0.000 0.681 50 V HN 0.428 nan 8.190 nan 0.000 0.462 51 A N 0.370 123.181 122.820 -0.014 0.000 1.969 51 A HA -0.155 4.164 4.320 -0.002 0.000 0.218 51 A C 2.258 179.848 177.584 0.011 0.000 1.169 51 A CA 1.251 53.285 52.037 -0.005 0.000 0.635 51 A CB -0.371 18.622 19.000 -0.011 0.000 0.810 51 A HN 0.544 nan 8.150 nan 0.000 0.445 52 R N -1.060 119.448 120.500 0.012 0.000 2.313 52 R HA 0.208 4.547 4.340 -0.002 0.000 0.199 52 R C 1.088 177.416 176.300 0.046 0.000 0.958 52 R CA 0.443 56.552 56.100 0.016 0.000 1.047 52 R CB -0.154 30.147 30.300 0.002 0.000 0.955 52 R HN 0.622 nan 8.270 nan 0.000 0.481 53 G N 0.915 109.771 108.800 0.093 0.000 2.221 53 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.265 53 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.265 53 G C 0.352 175.385 174.900 0.223 0.000 1.041 53 G CA 0.056 45.294 45.100 0.230 0.000 0.807 53 G HN 0.543 nan 8.290 nan 0.000 0.502 54 G N -1.354 107.510 108.800 0.106 0.000 2.543 54 G HA2 0.748 4.707 3.960 -0.002 0.000 0.267 54 G HA3 0.748 4.707 3.960 -0.002 0.000 0.267 54 G C -0.161 174.755 174.900 0.027 0.000 1.406 54 G CA -0.958 44.170 45.100 0.047 0.000 1.048 54 G HN 0.728 nan 8.290 nan 0.000 0.548 55 L N -0.751 120.443 121.223 -0.048 0.000 2.381 55 L HA 0.518 4.857 4.340 -0.002 0.000 0.268 55 L C -1.177 175.638 176.870 -0.090 0.000 0.997 55 L CA -0.693 54.082 54.840 -0.109 0.000 0.818 55 L CB 2.424 44.319 42.059 -0.274 0.000 1.310 55 L HN 0.234 nan 8.230 nan 0.000 0.416 56 I N 2.490 123.021 120.570 -0.065 0.000 2.406 56 I HA 0.406 4.575 4.170 -0.002 0.000 0.290 56 I C -0.435 175.641 176.117 -0.068 0.000 0.999 56 I CA -0.461 60.787 61.300 -0.086 0.000 1.124 56 I CB 1.954 39.928 38.000 -0.043 0.000 1.289 56 I HN 0.079 nan 8.210 nan 0.000 0.441 57 V N 6.549 126.382 119.914 -0.135 0.000 2.398 57 V HA 0.501 4.619 4.120 -0.002 0.000 0.286 57 V C -0.528 175.500 176.094 -0.109 0.000 1.026 57 V CA -0.492 61.791 62.300 -0.027 0.000 0.868 57 V CB 0.953 32.789 31.823 0.022 0.000 0.982 57 V HN 0.385 nan 8.190 nan 0.000 0.443 58 F N 1.946 122.031 119.950 0.225 0.000 2.593 58 F HA 0.531 5.056 4.527 -0.002 0.000 0.320 58 F C -0.088 175.873 175.800 0.269 0.000 1.060 58 F CA -0.916 57.233 58.000 0.250 0.000 0.940 58 F CB 1.856 41.016 39.000 0.265 0.000 1.268 58 F HN 0.537 nan 8.300 nan 0.000 0.475 59 H N 1.739 121.040 119.070 0.386 0.000 2.556 59 H HA 0.287 4.842 4.556 -0.002 0.000 0.310 59 H C 0.218 175.687 175.328 0.235 0.000 1.057 59 H CA -0.392 55.808 56.048 0.252 0.000 1.264 59 H CB 0.509 30.384 29.762 0.189 0.000 1.404 59 H HN 0.574 nan 8.280 nan 0.000 0.462 60 N N 2.465 121.112 118.700 -0.089 0.000 2.754 60 N HA -0.156 4.583 4.740 -0.002 0.000 0.248 60 N C 0.999 176.579 175.510 0.117 0.000 1.093 60 N CA 1.049 54.078 53.050 -0.034 0.000 0.699 60 N CB -1.113 37.334 38.487 -0.067 0.000 1.016 60 N HN 0.870 nan 8.380 nan 0.000 0.552 61 G N -1.571 107.357 108.800 0.215 0.000 2.551 61 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.216 61 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.216 61 G C 1.090 176.074 174.900 0.140 0.000 1.137 61 G CA 0.710 45.881 45.100 0.118 0.000 0.798 61 G HN 0.558 nan 8.290 nan 0.000 0.536 62 H N 0.609 119.713 119.070 0.056 0.000 2.389 62 H HA 0.107 4.661 4.556 -0.002 0.000 0.299 62 H C 2.350 177.581 175.328 -0.161 0.000 1.081 62 H CA 1.151 57.186 56.048 -0.023 0.000 1.345 62 H CB 0.202 30.027 29.762 0.105 0.000 1.393 62 H HN 0.320 nan 8.280 nan 0.000 0.520 63 K N -1.649 118.781 120.400 0.051 0.000 2.323 63 K HA 0.004 4.323 4.320 -0.002 0.000 0.197 63 K C 0.943 177.551 176.600 0.013 0.000 1.043 63 K CA 0.466 56.751 56.287 -0.004 0.000 0.997 63 K CB 0.584 33.106 32.500 0.036 0.000 0.807 63 K HN 0.218 nan 8.250 nan 0.000 0.497 64 Y N 0.983 121.211 120.300 -0.121 0.000 3.059 64 Y HA 0.029 4.577 4.550 -0.002 0.000 0.212 64 Y C 0.901 176.689 175.900 -0.188 0.000 0.947 64 Y CA 0.536 58.551 58.100 -0.143 0.000 1.571 64 Y CB 0.104 38.492 38.460 -0.119 0.000 1.432 64 Y HN -0.118 nan 8.280 nan 0.000 0.450 65 D N 0.393 120.625 120.400 -0.280 0.000 2.126 65 D HA -0.222 4.417 4.640 -0.002 0.000 0.190 65 D C 2.198 178.193 176.300 -0.508 0.000 1.001 65 D CA 2.470 56.162 54.000 -0.512 0.000 0.841 65 D CB -0.488 39.821 40.800 -0.819 0.000 0.949 65 D HN 0.242 nan 8.370 nan 0.000 0.446 66 V N 0.925 120.574 119.914 -0.441 0.000 2.261 66 V HA -0.160 3.959 4.120 -0.002 0.000 0.246 66 V C -0.753 175.209 176.094 -0.221 0.000 1.047 66 V CA 1.791 63.946 62.300 -0.242 0.000 1.015 66 V CB -1.342 30.375 31.823 -0.177 0.000 0.642 66 V HN 0.194 nan 8.190 nan 0.000 0.446 67 P HA -0.084 nan 4.420 nan 0.000 0.217 67 P C 1.619 178.763 177.300 -0.260 0.000 1.150 67 P CA 1.788 64.720 63.100 -0.279 0.000 0.832 67 P CB -0.127 31.393 31.700 -0.300 0.000 0.787 68 A N -0.525 122.065 122.820 -0.384 0.000 1.930 68 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 68 A C 2.195 179.657 177.584 -0.202 0.000 1.175 68 A CA 1.290 53.084 52.037 -0.406 0.000 0.627 68 A CB -1.620 16.897 19.000 -0.805 0.000 0.815 68 A HN 0.109 nan 8.150 nan 0.000 0.443 69 L N -0.820 120.332 121.223 -0.119 0.000 2.056 69 L HA -0.155 4.183 4.340 -0.002 0.000 0.207 69 L C 2.807 179.712 176.870 0.058 0.000 1.078 69 L CA 1.703 56.564 54.840 0.036 0.000 0.749 69 L CB -0.855 41.277 42.059 0.122 0.000 0.901 69 L HN 0.344 nan 8.230 nan 0.000 0.433 70 T N -0.474 114.103 114.554 0.039 0.000 2.652 70 T HA -0.275 4.074 4.350 -0.002 0.000 0.267 70 T C 1.911 176.574 174.700 -0.061 0.000 1.039 70 T CA 1.752 63.824 62.100 -0.048 0.000 1.153 70 T CB -0.123 68.649 68.868 -0.160 0.000 0.863 70 T HN 0.248 nan 8.240 nan 0.000 0.428 71 K N 0.645 121.003 120.400 -0.069 0.000 2.026 71 K HA -0.023 4.296 4.320 -0.002 0.000 0.208 71 K C 2.268 178.854 176.600 -0.023 0.000 1.048 71 K CA 1.203 57.455 56.287 -0.058 0.000 0.929 71 K CB -0.313 32.132 32.500 -0.091 0.000 0.713 71 K HN 0.276 nan 8.250 nan 0.000 0.439 72 L N 0.393 121.613 121.223 -0.005 0.000 2.141 72 L HA -0.115 4.224 4.340 -0.002 0.000 0.209 72 L C 2.601 179.599 176.870 0.212 0.000 1.094 72 L CA 1.007 55.881 54.840 0.058 0.000 0.763 72 L CB -0.483 41.560 42.059 -0.027 0.000 0.908 72 L HN 0.309 nan 8.230 nan 0.000 0.437 73 A N 0.084 122.989 122.820 0.141 0.000 1.930 73 A HA -0.220 4.098 4.320 -0.002 0.000 0.217 73 A C 2.315 179.892 177.584 -0.013 0.000 1.175 73 A CA 1.767 53.789 52.037 -0.026 0.000 0.627 73 A CB -0.298 18.587 19.000 -0.192 0.000 0.815 73 A HN 0.193 nan 8.150 nan 0.000 0.443 74 K N 0.118 120.516 120.400 -0.003 0.000 2.062 74 K HA 0.068 4.386 4.320 -0.002 0.000 0.205 74 K C 1.752 178.358 176.600 0.010 0.000 1.051 74 K CA 1.298 57.583 56.287 -0.003 0.000 0.941 74 K CB -0.544 31.953 32.500 -0.004 0.000 0.719 74 K HN 0.457 nan 8.250 nan 0.000 0.440 75 L N 0.231 121.464 121.223 0.018 0.000 2.027 75 L HA -0.160 4.179 4.340 -0.002 0.000 0.206 75 L C 2.473 179.362 176.870 0.032 0.000 1.074 75 L CA 1.472 56.322 54.840 0.016 0.000 0.745 75 L CB -0.369 41.691 42.059 0.002 0.000 0.898 75 L HN 0.284 nan 8.230 nan 0.000 0.433 76 Q N -0.570 119.273 119.800 0.070 0.000 2.302 76 Q HA 0.045 4.384 4.340 -0.002 0.000 0.202 76 Q C 1.630 177.675 176.000 0.074 0.000 0.936 76 Q CA 0.798 56.656 55.803 0.091 0.000 0.886 76 Q CB 0.433 29.269 28.738 0.165 0.000 0.986 76 Q HN 0.514 nan 8.270 nan 0.000 0.487 77 L N -0.404 120.843 121.223 0.040 0.000 2.966 77 L HA 0.246 4.585 4.340 -0.002 0.000 0.262 77 L C 0.065 176.918 176.870 -0.028 0.000 1.165 77 L CA -0.358 54.471 54.840 -0.019 0.000 0.978 77 L CB 0.242 42.234 42.059 -0.111 0.000 1.337 77 L HN 0.140 nan 8.230 nan 0.000 0.563 78 N N 2.169 120.862 118.700 -0.012 0.000 2.727 78 N HA -0.248 4.491 4.740 -0.002 0.000 0.249 78 N C 0.005 175.502 175.510 -0.021 0.000 1.048 78 N CA 0.590 53.634 53.050 -0.010 0.000 0.714 78 N CB -0.499 37.984 38.487 -0.005 0.000 0.959 78 N HN 0.412 nan 8.380 nan 0.000 0.544 79 R N 0.344 120.821 120.500 -0.038 0.000 2.637 79 R HA 0.290 4.628 4.340 -0.002 0.000 0.291 79 R C -0.894 175.396 176.300 -0.016 0.000 0.963 79 R CA -0.603 55.473 56.100 -0.041 0.000 0.901 79 R CB 0.845 31.087 30.300 -0.097 0.000 1.160 79 R HN 0.113 nan 8.270 nan 0.000 0.457 80 E N 3.669 123.879 120.200 0.016 0.000 2.130 80 E HA 0.146 4.495 4.350 -0.002 0.000 0.284 80 E C -1.301 175.333 176.600 0.056 0.000 1.018 80 E CA -0.087 56.338 56.400 0.042 0.000 0.817 80 E CB 0.855 30.616 29.700 0.101 0.000 1.078 80 E HN 0.340 nan 8.360 nan 0.000 0.396 81 F N 4.016 123.793 119.950 -0.289 0.000 2.539 81 F HA 0.264 4.790 4.527 -0.002 0.000 0.328 81 F C -0.881 174.618 175.800 -0.502 0.000 1.148 81 F CA -0.544 57.288 58.000 -0.281 0.000 0.940 81 F CB 0.961 39.813 39.000 -0.247 0.000 1.194 81 F HN 0.324 nan 8.300 nan 0.000 0.438 82 H N 7.779 126.561 119.070 -0.480 0.000 3.092 82 H HA 0.305 4.860 4.556 -0.002 0.000 0.308 82 H C -0.756 174.312 175.328 -0.432 0.000 1.047 82 H CA -0.565 55.282 56.048 -0.335 0.000 1.466 82 H CB 1.896 31.560 29.762 -0.164 0.000 1.597 82 H HN 0.537 nan 8.280 nan 0.000 0.512 83 L N 5.147 126.173 121.223 -0.328 0.000 2.410 83 L HA 0.172 4.511 4.340 -0.002 0.000 0.273 83 L C -1.861 174.996 176.870 -0.021 0.000 1.144 83 L CA -1.553 53.169 54.840 -0.197 0.000 0.863 83 L CB 0.445 42.493 42.059 -0.018 0.000 1.140 83 L HN 0.263 nan 8.230 nan 0.000 0.463 84 P HA 0.077 nan 4.420 nan 0.000 0.271 84 P C 0.304 177.317 177.300 -0.478 0.000 1.216 84 P CA -0.422 62.523 63.100 -0.257 0.000 0.776 84 P CB 0.623 32.151 31.700 -0.288 0.000 0.881 85 R N 3.629 123.567 120.500 -0.936 0.000 2.103 85 R HA -0.194 4.145 4.340 -0.002 0.000 0.242 85 R C 1.611 177.464 176.300 -0.744 0.000 1.142 85 R CA 1.866 57.011 56.100 -1.592 0.000 0.960 85 R CB -0.288 28.843 30.300 -1.947 0.000 0.858 85 R HN 0.603 nan 8.270 nan 0.000 0.439 86 E N -0.069 119.802 120.200 -0.548 0.000 2.333 86 E HA -0.183 4.165 4.350 -0.002 0.000 0.198 86 E C 0.415 176.993 176.600 -0.036 0.000 1.007 86 E CA 1.421 57.651 56.400 -0.284 0.000 0.845 86 E CB -0.408 29.061 29.700 -0.385 0.000 0.766 86 E HN 0.490 nan 8.360 nan 0.000 0.507 87 N N -0.345 118.228 118.700 -0.212 0.000 2.280 87 N HA 0.105 4.844 4.740 -0.002 0.000 0.192 87 N C -0.814 174.716 175.510 0.033 0.000 1.109 87 N CA -0.043 52.940 53.050 -0.112 0.000 0.855 87 N CB 0.574 38.958 38.487 -0.172 0.000 0.974 87 N HN 0.091 nan 8.380 nan 0.000 0.482 88 C N 0.888 120.271 119.300 0.138 0.000 2.417 88 C HA 0.570 5.029 4.460 -0.002 0.000 0.324 88 C C 0.084 175.327 174.990 0.423 0.000 1.240 88 C CA -1.184 58.015 59.018 0.301 0.000 1.632 88 C CB 0.188 28.186 27.740 0.431 0.000 2.241 88 C HN 0.242 nan 8.230 nan 0.000 0.499 89 I N 2.421 123.172 120.570 0.301 0.000 2.530 89 I HA 0.399 4.567 4.170 -0.002 0.000 0.297 89 I C -0.774 175.604 176.117 0.433 0.000 1.011 89 I CA 0.037 61.482 61.300 0.242 0.000 1.107 89 I CB 1.738 39.682 38.000 -0.093 0.000 1.285 89 I HN 0.567 nan 8.210 nan 0.000 0.436 90 D N 3.289 124.013 120.400 0.540 0.000 2.549 90 D HA 0.163 4.802 4.640 -0.002 0.000 0.251 90 D C 0.885 177.335 176.300 0.250 0.000 1.153 90 D CA -0.326 53.849 54.000 0.292 0.000 0.861 90 D CB 1.861 42.629 40.800 -0.053 0.000 1.207 90 D HN 0.686 nan 8.370 nan 0.000 0.543 91 T N 1.289 116.004 114.554 0.269 0.000 2.962 91 T HA -0.153 4.196 4.350 -0.002 0.000 0.270 91 T C 1.816 176.648 174.700 0.221 0.000 1.088 91 T CA 0.367 62.644 62.100 0.294 0.000 1.127 91 T CB 0.063 69.162 68.868 0.385 0.000 0.883 91 T HN 0.295 nan 8.240 nan 0.000 0.493 92 L N 1.211 122.415 121.223 -0.031 0.000 2.072 92 L HA 0.198 4.537 4.340 -0.002 0.000 0.205 92 L C 2.542 179.384 176.870 -0.046 0.000 1.079 92 L CA 1.172 55.919 54.840 -0.156 0.000 0.752 92 L CB -0.779 41.004 42.059 -0.460 0.000 0.906 92 L HN 0.135 nan 8.230 nan 0.000 0.436 93 V N -0.358 119.496 119.914 -0.100 0.000 2.343 93 V HA -0.290 3.829 4.120 -0.002 0.000 0.247 93 V C 2.604 178.645 176.094 -0.088 0.000 1.051 93 V CA 1.905 64.107 62.300 -0.163 0.000 1.036 93 V CB -0.466 31.101 31.823 -0.427 0.000 0.654 93 V HN 0.416 nan 8.190 nan 0.000 0.451 94 L N -0.493 120.740 121.223 0.017 0.000 2.056 94 L HA -0.152 4.187 4.340 -0.002 0.000 0.207 94 L C 2.628 179.530 176.870 0.054 0.000 1.078 94 L CA 1.619 56.521 54.840 0.102 0.000 0.749 94 L CB -0.440 41.768 42.059 0.248 0.000 0.901 94 L HN 0.344 nan 8.230 nan 0.000 0.433 95 S N -0.415 115.358 115.700 0.121 0.000 2.368 95 S HA -0.177 4.292 4.470 -0.002 0.000 0.225 95 S C 1.959 176.635 174.600 0.126 0.000 1.030 95 S CA 1.168 59.483 58.200 0.191 0.000 0.999 95 S CB -0.201 63.158 63.200 0.264 0.000 0.844 95 S HN 0.365 nan 8.310 nan 0.000 0.459 96 R N 0.222 120.766 120.500 0.072 0.000 2.189 96 R HA 0.032 4.371 4.340 -0.002 0.000 0.223 96 R C 2.172 178.481 176.300 0.015 0.000 1.092 96 R CA 0.711 56.843 56.100 0.054 0.000 0.989 96 R CB -0.254 30.068 30.300 0.037 0.000 0.876 96 R HN 0.292 nan 8.270 nan 0.000 0.457 97 L N 0.285 121.485 121.223 -0.039 0.000 2.084 97 L HA 0.038 4.376 4.340 -0.002 0.000 0.202 97 L C 1.788 178.524 176.870 -0.224 0.000 1.074 97 L CA 1.571 56.355 54.840 -0.092 0.000 0.757 97 L CB -0.054 41.934 42.059 -0.118 0.000 0.918 97 L HN 0.034 nan 8.230 nan 0.000 0.444 98 I N -0.724 119.618 120.570 -0.380 0.000 2.617 98 I HA -0.130 4.039 4.170 -0.002 0.000 0.256 98 I C 0.648 176.472 176.117 -0.489 0.000 1.167 98 I CA 0.559 61.513 61.300 -0.577 0.000 1.469 98 I CB -0.250 37.349 38.000 -0.669 0.000 1.098 98 I HN 0.286 nan 8.210 nan 0.000 0.436 99 H N 0.168 119.210 119.070 -0.047 0.000 2.505 99 H HA 0.242 4.797 4.556 -0.002 0.000 0.260 99 H C 1.576 176.898 175.328 -0.010 0.000 1.232 99 H CA 0.060 56.098 56.048 -0.017 0.000 0.991 99 H CB 0.371 30.140 29.762 0.012 0.000 1.729 99 H HN 0.209 nan 8.280 nan 0.000 0.561 100 S N 0.402 116.133 115.700 0.051 0.000 2.469 100 S HA -0.168 4.301 4.470 -0.002 0.000 0.238 100 S C 1.601 176.228 174.600 0.044 0.000 0.998 100 S CA 0.807 59.039 58.200 0.053 0.000 0.957 100 S CB -0.084 63.148 63.200 0.052 0.000 0.764 100 S HN 0.545 nan 8.310 nan 0.000 0.514 101 N N 1.493 120.200 118.700 0.012 0.000 2.461 101 N HA 0.092 4.831 4.740 -0.002 0.000 0.188 101 N C 0.188 175.670 175.510 -0.046 0.000 1.134 101 N CA 0.090 53.100 53.050 -0.065 0.000 0.878 101 N CB -0.208 38.123 38.487 -0.260 0.000 0.972 101 N HN 0.434 nan 8.380 nan 0.000 0.456 102 L N 0.136 121.366 121.223 0.011 0.000 2.319 102 L HA 0.454 4.793 4.340 -0.002 0.000 0.267 102 L C 0.317 177.208 176.870 0.036 0.000 1.011 102 L CA -1.062 53.786 54.840 0.013 0.000 0.818 102 L CB 1.650 43.717 42.059 0.012 0.000 1.316 102 L HN -0.179 nan 8.230 nan 0.000 0.432 103 K N 1.025 121.445 120.400 0.034 0.000 2.177 103 K HA 0.533 4.852 4.320 -0.002 0.000 0.238 103 K C -1.196 175.445 176.600 0.068 0.000 1.015 103 K CA -0.633 55.684 56.287 0.050 0.000 0.922 103 K CB 1.413 33.940 32.500 0.045 0.000 1.127 103 K HN 0.678 nan 8.250 nan 0.000 0.469 104 D N -2.881 117.569 120.400 0.083 0.000 2.583 104 D HA 0.097 4.736 4.640 -0.002 0.000 0.248 104 D C 0.405 176.772 176.300 0.112 0.000 1.209 104 D CA -0.719 53.346 54.000 0.108 0.000 0.848 104 D CB 0.635 41.501 40.800 0.111 0.000 1.431 104 D HN 0.415 nan 8.370 nan 0.000 0.436 105 T N -3.092 111.537 114.554 0.125 0.000 3.113 105 T HA 0.028 4.377 4.350 -0.002 0.000 0.263 105 T C 0.465 175.223 174.700 0.097 0.000 1.143 105 T CA 0.703 62.869 62.100 0.110 0.000 1.090 105 T CB -0.702 68.219 68.868 0.087 0.000 0.922 105 T HN 0.746 nan 8.240 nan 0.000 0.521 106 D N 0.881 121.338 120.400 0.096 0.000 2.746 106 D HA -0.215 4.424 4.640 -0.002 0.000 0.241 106 D C 0.128 176.459 176.300 0.052 0.000 1.140 106 D CA 0.559 54.611 54.000 0.086 0.000 0.707 106 D CB -1.679 39.199 40.800 0.129 0.000 1.034 106 D HN 0.338 nan 8.370 nan 0.000 0.423 107 M N -0.649 118.978 119.600 0.045 0.000 2.427 107 M HA -0.132 4.346 4.480 -0.002 0.000 0.204 107 M C 1.397 177.681 176.300 -0.027 0.000 0.413 107 M CA 1.641 56.948 55.300 0.011 0.000 0.507 107 M CB -2.406 30.182 32.600 -0.020 0.000 1.823 107 M HN 1.352 nan 8.290 nan 0.000 0.859 108 G N -0.595 108.195 108.800 -0.017 0.000 2.160 108 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.251 108 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.251 108 G C 0.707 175.590 174.900 -0.029 0.000 1.008 108 G CA 0.458 45.539 45.100 -0.032 0.000 0.724 108 G HN 0.574 nan 8.290 nan 0.000 0.514 109 L N -1.192 120.022 121.223 -0.014 0.000 2.375 109 L HA 0.372 4.710 4.340 -0.002 0.000 0.215 109 L C 1.400 178.298 176.870 0.048 0.000 1.108 109 L CA 0.483 55.289 54.840 -0.056 0.000 0.830 109 L CB -0.020 41.965 42.059 -0.124 0.000 0.959 109 L HN 0.216 nan 8.230 nan 0.000 0.457 110 L N -0.116 121.173 121.223 0.110 0.000 2.331 110 L HA 0.392 4.731 4.340 -0.002 0.000 0.275 110 L C 0.011 176.942 176.870 0.101 0.000 1.022 110 L CA -0.673 54.254 54.840 0.146 0.000 0.812 110 L CB 1.686 43.844 42.059 0.165 0.000 1.257 110 L HN -0.022 nan 8.230 nan 0.000 0.435 111 R N 1.095 121.654 120.500 0.097 0.000 2.316 111 R HA 0.139 4.477 4.340 -0.002 0.000 0.314 111 R C 1.041 177.400 176.300 0.098 0.000 1.069 111 R CA -0.243 55.908 56.100 0.085 0.000 0.959 111 R CB 0.901 31.243 30.300 0.071 0.000 0.987 111 R HN 0.691 nan 8.270 nan 0.000 0.446 112 S N 2.530 118.308 115.700 0.129 0.000 2.378 112 S HA -0.251 4.218 4.470 -0.002 0.000 0.229 112 S C 2.100 176.753 174.600 0.088 0.000 1.052 112 S CA 1.777 60.069 58.200 0.155 0.000 1.084 112 S CB -0.399 62.956 63.200 0.258 0.000 0.950 112 S HN 0.957 nan 8.310 nan 0.000 0.440 113 G N 1.468 110.311 108.800 0.071 0.000 2.485 113 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.221 113 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.221 113 G C 1.506 176.429 174.900 0.038 0.000 1.115 113 G CA 1.687 46.813 45.100 0.043 0.000 0.751 113 G HN 0.706 nan 8.290 nan 0.000 0.567 114 K N 0.168 120.598 120.400 0.049 0.000 2.186 114 K HA 0.445 4.763 4.320 -0.002 0.000 0.202 114 K C 1.229 177.854 176.600 0.041 0.000 1.052 114 K CA 0.336 56.650 56.287 0.044 0.000 0.965 114 K CB -0.448 32.083 32.500 0.052 0.000 0.746 114 K HN 0.355 nan 8.250 nan 0.000 0.457 115 L N 2.468 123.721 121.223 0.049 0.000 2.490 115 L HA 0.165 4.504 4.340 -0.002 0.000 0.274 115 L C -1.815 175.071 176.870 0.027 0.000 1.201 115 L CA -1.857 53.009 54.840 0.044 0.000 0.869 115 L CB 0.618 42.712 42.059 0.058 0.000 1.123 115 L HN 0.330 nan 8.230 nan 0.000 0.484 116 P HA 0.329 nan 4.420 nan 0.000 0.278 116 P C 0.103 177.405 177.300 0.002 0.000 1.266 116 P CA 0.072 63.179 63.100 0.012 0.000 0.807 116 P CB 1.086 32.795 31.700 0.015 0.000 1.094 125 L N 0.812 121.985 121.223 -0.082 0.000 2.381 125 L HA 0.528 4.866 4.340 -0.002 0.000 0.268 125 L C 0.166 176.990 176.870 -0.075 0.000 0.997 125 L CA -0.863 53.950 54.840 -0.046 0.000 0.818 125 L CB 1.886 43.946 42.059 0.002 0.000 1.310 125 L HN 0.847 nan 8.230 nan 0.000 0.416 126 E N 1.597 121.759 120.200 -0.064 0.000 2.415 126 E HA 0.045 4.394 4.350 -0.002 0.000 0.260 126 E C 0.629 177.208 176.600 -0.035 0.000 1.016 126 E CA 0.360 56.689 56.400 -0.119 0.000 0.924 126 E CB 1.691 31.292 29.700 -0.165 0.000 0.961 126 E HN 0.731 nan 8.360 nan 0.000 0.459 127 A N 5.643 128.379 122.820 -0.140 0.000 1.873 127 A HA -0.219 4.099 4.320 -0.002 0.000 0.218 127 A C 1.932 179.501 177.584 -0.026 0.000 1.193 127 A CA 1.716 53.651 52.037 -0.171 0.000 0.629 127 A CB -0.968 17.772 19.000 -0.433 0.000 0.826 127 A HN 0.896 nan 8.150 nan 0.000 0.447 128 W N -0.660 120.667 121.300 0.044 0.000 2.355 128 W HA -0.039 4.619 4.660 -0.002 0.000 0.309 128 W C 2.587 179.117 176.519 0.019 0.000 1.206 128 W CA 0.532 57.895 57.345 0.029 0.000 1.284 128 W CB -0.504 28.964 29.460 0.013 0.000 1.145 128 W HN 0.439 nan 8.180 nan 0.000 0.502 129 G N -0.724 108.247 108.800 0.285 0.000 2.422 129 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.218 129 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.218 129 G C 1.118 176.136 174.900 0.198 0.000 1.146 129 G CA 1.071 46.301 45.100 0.217 0.000 0.769 129 G HN 0.345 nan 8.290 nan 0.000 0.547 130 Y N 1.304 121.655 120.300 0.086 0.000 2.200 130 Y HA -0.005 4.544 4.550 -0.002 0.000 0.290 130 Y C 2.939 178.887 175.900 0.079 0.000 1.137 130 Y CA 1.508 59.645 58.100 0.063 0.000 1.163 130 Y CB -0.042 38.429 38.460 0.017 0.000 0.988 130 Y HN -0.018 nan 8.280 nan 0.000 0.518 131 R N 0.220 120.806 120.500 0.144 0.000 2.081 131 R HA -0.157 4.182 4.340 -0.002 0.000 0.235 131 R C 2.259 178.572 176.300 0.021 0.000 1.131 131 R CA 1.722 57.877 56.100 0.092 0.000 0.960 131 R CB -0.863 29.584 30.300 0.245 0.000 0.856 131 R HN 0.438 nan 8.270 nan 0.000 0.436 132 L N -0.882 120.357 121.223 0.028 0.000 2.093 132 L HA -0.070 4.269 4.340 -0.002 0.000 0.208 132 L C 2.454 179.331 176.870 0.012 0.000 1.085 132 L CA 1.403 56.240 54.840 -0.005 0.000 0.755 132 L CB -0.678 41.272 42.059 -0.183 0.000 0.904 132 L HN 0.294 nan 8.230 nan 0.000 0.435 133 G N -0.934 107.855 108.800 -0.017 0.000 2.484 133 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.218 133 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.218 133 G C 1.353 176.169 174.900 -0.140 0.000 1.130 133 G CA 0.171 45.243 45.100 -0.046 0.000 0.784 133 G HN 0.259 nan 8.290 nan 0.000 0.543 134 E N 0.129 120.185 120.200 -0.240 0.000 2.474 134 E HA 0.153 4.502 4.350 -0.002 0.000 0.195 134 E C 2.241 178.782 176.600 -0.098 0.000 1.039 134 E CA -0.258 55.998 56.400 -0.239 0.000 0.881 134 E CB 0.063 29.492 29.700 -0.451 0.000 0.970 134 E HN 0.294 nan 8.360 nan 0.000 0.486 135 M N 0.814 120.387 119.600 -0.044 0.000 2.080 135 M HA -0.168 4.311 4.480 -0.002 0.000 0.260 135 M C 1.938 178.208 176.300 -0.049 0.000 1.068 135 M CA 1.585 56.878 55.300 -0.012 0.000 1.109 135 M CB -0.808 31.822 32.600 0.050 0.000 1.342 135 M HN 0.039 nan 8.290 nan 0.000 0.405 136 K N -0.259 120.164 120.400 0.039 0.000 2.009 136 K HA -0.127 4.192 4.320 -0.002 0.000 0.210 136 K C 2.092 178.755 176.600 0.105 0.000 1.049 136 K CA 1.554 57.960 56.287 0.198 0.000 0.929 136 K CB -0.710 31.887 32.500 0.163 0.000 0.714 136 K HN 0.492 nan 8.250 nan 0.000 0.440 137 G N 1.043 109.853 108.800 0.017 0.000 2.470 137 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.220 137 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.220 137 G C 1.341 176.204 174.900 -0.063 0.000 1.121 137 G CA 0.698 45.784 45.100 -0.023 0.000 0.766 137 G HN 0.400 nan 8.290 nan 0.000 0.553 138 E N -0.789 119.369 120.200 -0.071 0.000 2.060 138 E HA -0.097 4.252 4.350 -0.002 0.000 0.189 138 E C 2.025 178.534 176.600 -0.153 0.000 0.974 138 E CA 0.261 56.625 56.400 -0.060 0.000 0.808 138 E CB -0.280 29.434 29.700 0.023 0.000 0.768 138 E HN 0.416 nan 8.360 nan 0.000 0.453 139 Y N 1.953 121.917 120.300 -0.560 0.000 2.207 139 Y HA -0.197 4.351 4.550 -0.002 0.000 0.287 139 Y C 2.030 177.717 175.900 -0.354 0.000 1.156 139 Y CA 1.988 59.633 58.100 -0.759 0.000 1.182 139 Y CB -0.151 37.708 38.460 -1.003 0.000 0.979 139 Y HN -0.096 nan 8.280 nan 0.000 0.521 140 K N -0.124 119.992 120.400 -0.473 0.000 2.097 140 K HA -0.163 4.156 4.320 -0.002 0.000 0.205 140 K C 1.378 177.765 176.600 -0.354 0.000 1.050 140 K CA 1.782 57.781 56.287 -0.481 0.000 0.938 140 K CB -0.178 32.178 32.500 -0.239 0.000 0.718 140 K HN 0.326 nan 8.250 nan 0.000 0.442 141 D N 0.900 121.157 120.400 -0.240 0.000 2.194 141 D HA -0.092 4.547 4.640 -0.002 0.000 0.204 141 D C 1.243 177.452 176.300 -0.152 0.000 0.964 141 D CA 1.017 54.905 54.000 -0.187 0.000 0.846 141 D CB -0.086 40.647 40.800 -0.113 0.000 0.962 141 D HN 0.287 nan 8.370 nan 0.000 0.490 142 D N 0.008 120.343 120.400 -0.109 0.000 2.117 142 D HA -0.108 4.531 4.640 -0.002 0.000 0.198 142 D C 1.673 177.909 176.300 -0.106 0.000 0.982 142 D CA 0.434 54.407 54.000 -0.044 0.000 0.828 142 D CB -0.322 40.545 40.800 0.113 0.000 0.967 142 D HN 0.095 nan 8.370 nan 0.000 0.464 143 F N 1.748 121.471 119.950 -0.378 0.000 2.095 143 F HA -0.167 4.359 4.527 -0.002 0.000 0.298 143 F C 1.927 177.544 175.800 -0.305 0.000 1.104 143 F CA 1.455 59.212 58.000 -0.406 0.000 1.232 143 F CB 0.047 38.644 39.000 -0.672 0.000 0.987 143 F HN -0.193 nan 8.300 nan 0.000 0.475 144 K N 0.197 120.477 120.400 -0.200 0.000 2.009 144 K HA -0.257 4.062 4.320 -0.002 0.000 0.210 144 K C 2.216 178.672 176.600 -0.241 0.000 1.049 144 K CA 2.060 58.172 56.287 -0.293 0.000 0.929 144 K CB -0.492 31.742 32.500 -0.443 0.000 0.714 144 K HN 0.382 nan 8.250 nan 0.000 0.440 145 R N 0.889 121.268 120.500 -0.201 0.000 2.105 145 R HA -0.123 4.216 4.340 -0.002 0.000 0.239 145 R C 2.218 178.412 176.300 -0.176 0.000 1.135 145 R CA 1.575 57.581 56.100 -0.157 0.000 0.967 145 R CB -0.384 29.845 30.300 -0.117 0.000 0.861 145 R HN 0.074 nan 8.270 nan 0.000 0.442 146 M N 1.150 120.611 119.600 -0.232 0.000 2.073 146 M HA -0.152 4.326 4.480 -0.002 0.000 0.258 146 M C 2.420 178.555 176.300 -0.275 0.000 1.070 146 M CA 1.723 56.863 55.300 -0.266 0.000 1.103 146 M CB -0.729 31.642 32.600 -0.383 0.000 1.321 146 M HN 0.278 nan 8.290 nan 0.000 0.405 147 L N -0.638 120.380 121.223 -0.342 0.000 2.044 147 L HA -0.161 4.177 4.340 -0.002 0.000 0.205 147 L C 2.389 179.169 176.870 -0.150 0.000 1.075 147 L CA 0.865 55.553 54.840 -0.254 0.000 0.747 147 L CB -0.928 40.981 42.059 -0.249 0.000 0.903 147 L HN 0.275 nan 8.230 nan 0.000 0.435 148 E N 0.689 120.809 120.200 -0.134 0.000 2.219 148 E HA -0.250 4.098 4.350 -0.002 0.000 0.198 148 E C 1.879 178.429 176.600 -0.084 0.000 0.998 148 E CA 1.283 57.628 56.400 -0.092 0.000 0.818 148 E CB -0.171 29.471 29.700 -0.096 0.000 0.741 148 E HN 0.623 nan 8.360 nan 0.000 0.477 149 E N 0.307 120.447 120.200 -0.101 0.000 2.122 149 E HA -0.060 4.289 4.350 -0.002 0.000 0.190 149 E C 1.240 177.794 176.600 -0.077 0.000 0.977 149 E CA 0.342 56.691 56.400 -0.084 0.000 0.820 149 E CB 0.157 29.803 29.700 -0.090 0.000 0.770 149 E HN 0.080 nan 8.360 nan 0.000 0.462 150 Q N 0.029 119.774 119.800 -0.092 0.000 2.239 150 Q HA 0.098 4.437 4.340 -0.002 0.000 0.219 150 Q C 0.604 176.567 176.000 -0.062 0.000 0.901 150 Q CA 0.373 56.129 55.803 -0.079 0.000 0.949 150 Q CB 0.392 29.071 28.738 -0.097 0.000 1.038 150 Q HN 0.398 nan 8.270 nan 0.000 0.458 151 G N 1.229 109.997 108.800 -0.054 0.000 2.296 151 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.282 151 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.282 151 G C -0.007 174.872 174.900 -0.035 0.000 1.014 151 G CA 0.760 45.836 45.100 -0.039 0.000 0.812 151 G HN 0.427 nan 8.290 nan 0.000 0.508 152 E N -0.529 119.643 120.200 -0.046 0.000 2.267 152 E HA 0.593 4.942 4.350 -0.002 0.000 0.258 152 E C 0.141 176.732 176.600 -0.014 0.000 1.074 152 E CA -0.718 55.661 56.400 -0.035 0.000 0.915 152 E CB 1.065 30.730 29.700 -0.057 0.000 1.186 152 E HN 0.444 nan 8.360 nan 0.000 0.439 153 E N 0.384 120.586 120.200 0.003 0.000 2.195 153 E HA 0.193 4.542 4.350 -0.002 0.000 0.271 153 E C -1.467 175.166 176.600 0.054 0.000 0.923 153 E CA -0.594 55.824 56.400 0.030 0.000 0.790 153 E CB 1.412 31.124 29.700 0.021 0.000 1.155 153 E HN 0.336 nan 8.360 nan 0.000 0.402 154 Y N 2.194 122.468 120.300 -0.043 0.000 2.335 154 Y HA 0.439 4.987 4.550 -0.002 0.000 0.323 154 Y C -0.828 175.050 175.900 -0.038 0.000 1.224 154 Y CA -0.346 57.723 58.100 -0.051 0.000 1.241 154 Y CB 0.833 39.258 38.460 -0.058 0.000 1.235 154 Y HN 0.232 nan 8.280 nan 0.000 0.492 155 V N 4.711 124.008 119.914 -1.028 0.000 3.078 155 V HA 0.230 4.348 4.120 -0.002 0.000 0.311 155 V C 0.077 175.612 176.094 -0.931 0.000 1.138 155 V CA -0.873 61.030 62.300 -0.662 0.000 1.007 155 V CB 1.812 33.490 31.823 -0.241 0.000 1.045 155 V HN 0.961 nan 8.190 nan 0.000 0.432 156 D N 2.478 122.673 120.400 -0.342 0.000 2.052 156 D HA -0.257 4.381 4.640 -0.002 0.000 0.623 156 D C 1.154 177.316 176.300 -0.229 0.000 0.591 156 D CA 2.642 56.557 54.000 -0.143 0.000 1.639 156 D CB -0.519 40.334 40.800 0.089 0.000 0.220 156 D HN 1.007 nan 8.370 nan 0.000 0.184 157 G N -0.522 108.146 108.800 -0.220 0.000 4.885 157 G HA2 0.385 4.344 3.960 -0.002 0.000 0.263 157 G HA3 0.385 4.344 3.960 -0.002 0.000 0.263 157 G C 1.068 175.519 174.900 -0.748 0.000 1.168 157 G CA 0.419 45.396 45.100 -0.205 0.000 0.906 157 G HN 0.379 nan 8.290 nan 0.000 0.575 158 M N -0.130 118.596 119.600 -1.456 0.000 2.530 158 M HA -0.027 4.451 4.480 -0.002 0.000 0.261 158 M C 1.898 177.393 176.300 -1.341 0.000 1.067 158 M CA 1.601 55.460 55.300 -2.401 0.000 1.071 158 M CB -0.287 31.154 32.600 -1.932 0.000 1.405 158 M HN 0.279 nan 8.290 nan 0.000 0.478 159 E N 0.609 120.096 120.200 -1.188 0.000 2.265 159 E HA -0.202 4.147 4.350 -0.002 0.000 0.196 159 E C 0.816 176.746 176.600 -1.116 0.000 0.996 159 E CA 1.318 56.697 56.400 -1.702 0.000 0.832 159 E CB -0.645 28.061 29.700 -1.657 0.000 0.756 159 E HN 0.875 nan 8.360 nan 0.000 0.491 160 W N -0.744 120.341 121.300 -0.359 0.000 3.220 160 W HA 0.224 4.883 4.660 -0.002 0.000 0.328 160 W C 1.232 177.895 176.519 0.241 0.000 1.205 160 W CA -1.017 56.323 57.345 -0.009 0.000 1.773 160 W CB 0.100 29.602 29.460 0.069 0.000 1.086 160 W HN -0.006 nan 8.180 nan 0.000 0.622 161 W N 0.721 122.094 121.300 0.122 0.000 2.418 161 W HA 0.033 4.691 4.660 -0.002 0.000 0.292 161 W C 0.434 177.038 176.519 0.142 0.000 1.213 161 W CA 0.601 58.031 57.345 0.142 0.000 1.283 161 W CB -1.110 28.382 29.460 0.054 0.000 1.119 161 W HN -0.265 nan 8.180 nan 0.000 0.542 162 N N -0.715 118.091 118.700 0.176 0.000 2.262 162 N HA 0.138 4.876 4.740 -0.002 0.000 0.295 162 N C -1.354 173.982 175.510 -0.291 0.000 1.161 162 N CA -0.764 52.306 53.050 0.034 0.000 0.767 162 N CB 2.128 40.684 38.487 0.115 0.000 1.499 162 N HN -0.272 nan 8.380 nan 0.000 0.476 163 F N 2.294 122.026 119.950 -0.363 0.000 2.429 163 F HA 0.310 4.835 4.527 -0.002 0.000 0.348 163 F C 0.030 175.755 175.800 -0.125 0.000 1.109 163 F CA -0.183 57.616 58.000 -0.335 0.000 1.232 163 F CB 0.278 39.204 39.000 -0.122 0.000 1.157 163 F HN 0.626 nan 8.300 nan 0.000 0.564 164 N N 2.082 120.082 118.700 -1.167 0.000 2.934 164 N HA 0.235 4.973 4.740 -0.002 0.000 0.253 164 N C -0.282 174.664 175.510 -0.940 0.000 1.466 164 N CA -0.694 51.843 53.050 -0.855 0.000 0.858 164 N CB 0.658 38.981 38.487 -0.273 0.000 1.459 164 N HN 0.364 nan 8.380 nan 0.000 0.532 165 E N -0.550 119.360 120.200 -0.484 0.000 2.150 165 E HA -0.119 4.230 4.350 -0.002 0.000 0.193 165 E C 1.730 178.249 176.600 -0.136 0.000 0.985 165 E CA 1.796 58.037 56.400 -0.266 0.000 0.814 165 E CB -0.637 28.984 29.700 -0.132 0.000 0.752 165 E HN 0.823 nan 8.360 nan 0.000 0.466 166 E N 1.255 121.420 120.200 -0.058 0.000 2.072 166 E HA -0.095 4.254 4.350 -0.002 0.000 0.191 166 E C 1.821 178.485 176.600 0.107 0.000 0.985 166 E CA 1.379 57.831 56.400 0.087 0.000 0.801 166 E CB -0.572 29.287 29.700 0.264 0.000 0.750 166 E HN 0.265 nan 8.360 nan 0.000 0.452 167 M N -1.084 118.474 119.600 -0.070 0.000 2.080 167 M HA -0.127 4.352 4.480 -0.002 0.000 0.260 167 M C 2.565 178.813 176.300 -0.086 0.000 1.068 167 M CA 2.512 57.612 55.300 -0.335 0.000 1.109 167 M CB -0.124 32.214 32.600 -0.437 0.000 1.342 167 M HN 0.457 nan 8.290 nan 0.000 0.405 168 M N 0.902 120.488 119.600 -0.023 0.000 2.108 168 M HA -0.238 4.241 4.480 -0.002 0.000 0.261 168 M C 1.281 177.614 176.300 0.055 0.000 1.066 168 M CA 2.030 57.398 55.300 0.113 0.000 1.107 168 M CB -0.520 32.194 32.600 0.189 0.000 1.356 168 M HN 0.251 nan 8.290 nan 0.000 0.406 169 D N -1.061 119.333 120.400 -0.010 0.000 2.149 169 D HA -0.189 4.450 4.640 -0.002 0.000 0.198 169 D C 1.850 178.086 176.300 -0.106 0.000 0.990 169 D CA 1.536 55.487 54.000 -0.080 0.000 0.839 169 D CB -0.458 40.249 40.800 -0.156 0.000 0.948 169 D HN 0.465 nan 8.370 nan 0.000 0.460 170 Y N 1.130 121.406 120.300 -0.040 0.000 2.263 170 Y HA -0.080 4.469 4.550 -0.002 0.000 0.292 170 Y C 2.228 178.130 175.900 0.003 0.000 1.130 170 Y CA 0.872 58.956 58.100 -0.026 0.000 1.179 170 Y CB -0.459 37.952 38.460 -0.082 0.000 0.998 170 Y HN 0.020 nan 8.280 nan 0.000 0.532 171 N N -0.286 118.507 118.700 0.156 0.000 2.120 171 N HA -0.175 4.563 4.740 -0.002 0.000 0.188 171 N C 1.714 177.309 175.510 0.141 0.000 1.024 171 N CA 1.293 54.430 53.050 0.145 0.000 0.852 171 N CB -0.084 38.482 38.487 0.132 0.000 1.003 171 N HN 0.085 nan 8.380 nan 0.000 0.424 172 V N 0.776 120.750 119.914 0.101 0.000 2.407 172 V HA -0.181 3.937 4.120 -0.002 0.000 0.248 172 V C 2.375 178.492 176.094 0.037 0.000 1.055 172 V CA 1.499 63.845 62.300 0.077 0.000 1.049 172 V CB -0.580 31.239 31.823 -0.007 0.000 0.662 172 V HN 0.360 nan 8.190 nan 0.000 0.455 173 Q N 0.185 119.996 119.800 0.017 0.000 2.119 173 Q HA -0.177 4.162 4.340 -0.002 0.000 0.201 173 Q C 1.849 177.881 176.000 0.053 0.000 0.972 173 Q CA 1.682 57.490 55.803 0.008 0.000 0.847 173 Q CB -0.419 28.319 28.738 0.000 0.000 0.903 173 Q HN 0.616 nan 8.270 nan 0.000 0.433 174 D N -1.057 119.404 120.400 0.102 0.000 2.144 174 D HA -0.111 4.528 4.640 -0.002 0.000 0.199 174 D C 1.734 178.080 176.300 0.076 0.000 0.984 174 D CA 1.088 55.146 54.000 0.097 0.000 0.834 174 D CB 0.103 40.986 40.800 0.138 0.000 0.955 174 D HN 0.153 nan 8.370 nan 0.000 0.465 175 V N 1.245 121.229 119.914 0.116 0.000 2.453 175 V HA -0.162 3.957 4.120 -0.002 0.000 0.247 175 V C 2.712 178.842 176.094 0.060 0.000 1.048 175 V CA 1.355 63.730 62.300 0.125 0.000 1.049 175 V CB -0.357 31.605 31.823 0.232 0.000 0.672 175 V HN 0.164 nan 8.190 nan 0.000 0.457 176 V N -1.625 118.323 119.914 0.057 0.000 2.548 176 V HA -0.112 4.007 4.120 -0.002 0.000 0.249 176 V C 2.132 178.097 176.094 -0.215 0.000 1.055 176 V CA 1.951 64.222 62.300 -0.048 0.000 1.065 176 V CB -0.454 31.314 31.823 -0.090 0.000 0.681 176 V HN 0.275 nan 8.190 nan 0.000 0.462 177 V N 1.049 120.841 119.914 -0.202 0.000 2.379 177 V HA -0.178 3.941 4.120 -0.002 0.000 0.245 177 V C 2.821 178.700 176.094 -0.359 0.000 1.044 177 V CA 2.559 64.638 62.300 -0.368 0.000 1.036 177 V CB -1.129 30.619 31.823 -0.126 0.000 0.664 177 V HN 0.632 nan 8.190 nan 0.000 0.453 178 T N -0.243 114.204 114.554 -0.178 0.000 2.759 178 T HA -0.262 4.086 4.350 -0.002 0.000 0.269 178 T C 1.938 176.571 174.700 -0.111 0.000 1.042 178 T CA 1.933 63.969 62.100 -0.107 0.000 1.140 178 T CB -0.198 68.681 68.868 0.019 0.000 0.864 178 T HN 0.469 nan 8.240 nan 0.000 0.455 179 K N 0.877 121.185 120.400 -0.153 0.000 2.097 179 K HA 0.048 4.367 4.320 -0.002 0.000 0.205 179 K C 2.451 178.931 176.600 -0.200 0.000 1.050 179 K CA 1.048 57.246 56.287 -0.148 0.000 0.938 179 K CB -0.240 32.087 32.500 -0.289 0.000 0.718 179 K HN 0.277 nan 8.250 nan 0.000 0.442 180 A N 1.500 124.082 122.820 -0.396 0.000 1.898 180 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 180 A C 2.103 179.410 177.584 -0.461 0.000 1.181 180 A CA 0.980 52.684 52.037 -0.554 0.000 0.620 180 A CB -0.591 17.694 19.000 -1.191 0.000 0.819 180 A HN 0.384 nan 8.150 nan 0.000 0.442 181 L N -0.929 120.022 121.223 -0.453 0.000 2.017 181 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 181 L C 2.551 179.432 176.870 0.019 0.000 1.073 181 L CA 1.714 56.491 54.840 -0.106 0.000 0.745 181 L CB -0.322 41.736 42.059 -0.002 0.000 0.894 181 L HN 0.499 nan 8.230 nan 0.000 0.432 182 L N 0.260 121.481 121.223 -0.004 0.000 1.971 182 L HA -0.302 4.036 4.340 -0.002 0.000 0.215 182 L C 2.335 179.205 176.870 -0.000 0.000 1.072 182 L CA 2.032 56.888 54.840 0.028 0.000 0.758 182 L CB -0.596 41.489 42.059 0.043 0.000 0.889 182 L HN 0.255 nan 8.230 nan 0.000 0.433 183 E N -0.741 119.459 120.200 -0.000 0.000 2.153 183 E HA -0.285 4.064 4.350 -0.002 0.000 0.194 183 E C 2.170 178.794 176.600 0.039 0.000 0.988 183 E CA 1.360 57.766 56.400 0.009 0.000 0.811 183 E CB -0.152 29.567 29.700 0.031 0.000 0.746 183 E HN 0.488 nan 8.360 nan 0.000 0.466 184 K N 0.877 121.325 120.400 0.079 0.000 2.057 184 K HA -0.117 4.202 4.320 -0.002 0.000 0.206 184 K C 2.055 178.743 176.600 0.147 0.000 1.050 184 K CA 0.750 57.130 56.287 0.154 0.000 0.935 184 K CB 0.056 32.713 32.500 0.262 0.000 0.715 184 K HN 0.068 nan 8.250 nan 0.000 0.439 185 L N 0.826 122.123 121.223 0.123 0.000 2.056 185 L HA -0.131 4.208 4.340 -0.002 0.000 0.207 185 L C 2.176 179.076 176.870 0.050 0.000 1.078 185 L CA 0.857 55.765 54.840 0.114 0.000 0.749 185 L CB -0.259 41.875 42.059 0.126 0.000 0.901 185 L HN 0.185 nan 8.230 nan 0.000 0.433 186 L N -0.320 120.822 121.223 -0.135 0.000 2.465 186 L HA -0.082 4.257 4.340 -0.002 0.000 0.224 186 L C 2.394 179.216 176.870 -0.080 0.000 1.145 186 L CA 0.769 55.366 54.840 -0.405 0.000 0.834 186 L CB -0.426 41.358 42.059 -0.458 0.000 0.944 186 L HN 0.356 nan 8.230 nan 0.000 0.451 187 S N -2.504 113.220 115.700 0.040 0.000 2.603 187 S HA -0.054 4.415 4.470 -0.002 0.000 0.220 187 S C 0.719 175.404 174.600 0.143 0.000 0.967 187 S CA -0.325 57.931 58.200 0.093 0.000 0.920 187 S CB -0.305 62.953 63.200 0.097 0.000 0.773 187 S HN 0.271 nan 8.310 nan 0.000 0.529 188 D N 2.015 122.534 120.400 0.199 0.000 2.393 188 D HA 0.344 4.983 4.640 -0.002 0.000 0.232 188 D C 1.260 177.709 176.300 0.249 0.000 1.192 188 D CA 0.131 54.270 54.000 0.232 0.000 0.882 188 D CB 1.315 42.276 40.800 0.268 0.000 1.038 188 D HN 0.353 nan 8.370 nan 0.000 0.499 189 K N 3.185 123.690 120.400 0.174 0.000 2.152 189 K HA -0.242 4.077 4.320 -0.002 0.000 0.206 189 K C 1.818 178.454 176.600 0.061 0.000 1.048 189 K CA 2.015 58.379 56.287 0.127 0.000 0.933 189 K CB -1.058 31.507 32.500 0.109 0.000 0.721 189 K HN 0.703 nan 8.250 nan 0.000 0.447 190 H N -1.356 117.683 119.070 -0.053 0.000 2.387 190 H HA -0.071 4.483 4.556 -0.002 0.000 0.299 190 H C 1.616 176.674 175.328 -0.451 0.000 1.090 190 H CA 2.417 58.300 56.048 -0.274 0.000 1.332 190 H CB -0.032 29.451 29.762 -0.464 0.000 1.386 190 H HN 0.626 nan 8.280 nan 0.000 0.516 191 Y N -2.007 118.153 120.300 -0.233 0.000 2.503 191 Y HA 0.196 4.745 4.550 -0.002 0.000 0.277 191 Y C -0.103 175.260 175.900 -0.894 0.000 1.102 191 Y CA -0.097 57.660 58.100 -0.571 0.000 1.261 191 Y CB 0.594 38.678 38.460 -0.627 0.000 1.096 191 Y HN 0.003 nan 8.280 nan 0.000 0.546 192 F N 0.814 120.684 119.950 -0.133 0.000 2.610 192 F HA 0.441 4.967 4.527 -0.002 0.000 0.355 192 F C -2.582 173.176 175.800 -0.070 0.000 1.140 192 F CA -3.430 54.353 58.000 -0.361 0.000 1.037 192 F CB 0.938 39.528 39.000 -0.684 0.000 1.287 192 F HN -0.283 nan 8.300 nan 0.000 0.457 193 P HA -0.056 nan 4.420 nan 0.000 0.261 193 P C -1.983 175.471 177.300 0.257 0.000 1.165 193 P CA -0.462 62.754 63.100 0.194 0.000 0.759 193 P CB 0.441 32.252 31.700 0.185 0.000 0.772 194 P HA -0.165 nan 4.420 nan 0.000 0.218 194 P C 0.711 178.080 177.300 0.115 0.000 1.149 194 P CA 1.339 64.525 63.100 0.143 0.000 0.817 194 P CB -0.048 31.713 31.700 0.102 0.000 0.785 195 E N -0.900 119.353 120.200 0.088 0.000 2.478 195 E HA 0.009 4.358 4.350 -0.002 0.000 0.198 195 E C 0.514 177.120 176.600 0.009 0.000 1.046 195 E CA 0.471 56.897 56.400 0.043 0.000 0.870 195 E CB -0.535 29.181 29.700 0.026 0.000 0.818 195 E HN 0.317 nan 8.360 nan 0.000 0.527 196 I N 1.387 121.973 120.570 0.026 0.000 2.404 196 I HA 0.156 4.324 4.170 -0.002 0.000 0.293 196 I C -0.392 175.652 176.117 -0.122 0.000 0.992 196 I CA -1.044 60.165 61.300 -0.151 0.000 1.149 196 I CB 1.459 39.210 38.000 -0.415 0.000 1.315 196 I HN -0.141 nan 8.210 nan 0.000 0.446 197 D N 5.942 126.234 120.400 -0.181 0.000 2.380 197 D HA 0.157 4.796 4.640 -0.002 0.000 0.230 197 D C 0.389 176.567 176.300 -0.203 0.000 1.154 197 D CA -0.149 53.794 54.000 -0.094 0.000 0.859 197 D CB 0.595 41.346 40.800 -0.082 0.000 1.045 197 D HN 0.265 nan 8.370 nan 0.000 0.495 198 F N 1.264 121.147 119.950 -0.112 0.000 2.802 198 F HA -0.025 4.501 4.527 -0.002 0.000 0.300 198 F C 2.418 178.152 175.800 -0.111 0.000 1.168 198 F CA 0.635 58.582 58.000 -0.088 0.000 1.433 198 F CB -0.035 38.866 39.000 -0.165 0.000 1.115 198 F HN 0.376 nan 8.300 nan 0.000 0.582 199 T N -4.668 109.811 114.554 -0.124 0.000 3.086 199 T HA 0.050 4.398 4.350 -0.002 0.000 0.250 199 T C 0.681 175.219 174.700 -0.269 0.000 1.074 199 T CA 0.312 62.188 62.100 -0.373 0.000 0.988 199 T CB -0.097 68.306 68.868 -0.774 0.000 0.988 199 T HN 0.106 nan 8.240 nan 0.000 0.530 200 D N 1.303 121.605 120.400 -0.164 0.000 2.819 200 D HA 0.296 4.934 4.640 -0.002 0.000 0.326 200 D C -0.203 176.026 176.300 -0.118 0.000 1.408 200 D CA -0.434 53.494 54.000 -0.119 0.000 0.811 200 D CB 0.759 41.502 40.800 -0.095 0.000 1.148 200 D HN 0.387 nan 8.370 nan 0.000 0.457 201 V N -2.754 117.091 119.914 -0.115 0.000 3.040 201 V HA 0.990 5.108 4.120 -0.002 0.000 0.312 201 V C 0.803 176.851 176.094 -0.076 0.000 1.115 201 V CA -0.755 61.476 62.300 -0.116 0.000 0.998 201 V CB 1.326 33.043 31.823 -0.175 0.000 1.042 201 V HN 0.015 nan 8.190 nan 0.000 0.433 202 G N 0.366 109.113 108.800 -0.088 0.000 2.599 202 G HA2 0.338 4.297 3.960 -0.002 0.000 0.264 202 G HA3 0.338 4.297 3.960 -0.002 0.000 0.264 202 G C 0.177 175.025 174.900 -0.085 0.000 1.200 202 G CA 0.198 45.248 45.100 -0.083 0.000 0.896 202 G HN 1.347 nan 8.290 nan 0.000 0.536 203 Y N -0.933 119.335 120.300 -0.055 0.000 2.165 203 Y HA -0.175 4.373 4.550 -0.002 0.000 0.286 203 Y C 2.702 178.624 175.900 0.036 0.000 1.155 203 Y CA 2.119 60.170 58.100 -0.082 0.000 1.164 203 Y CB -1.305 37.167 38.460 0.019 0.000 0.978 203 Y HN 0.467 nan 8.280 nan 0.000 0.513 204 T N -2.843 111.324 114.554 -0.644 0.000 2.788 204 T HA -0.190 4.158 4.350 -0.002 0.000 0.268 204 T C 1.690 176.372 174.700 -0.030 0.000 1.044 204 T CA 1.861 63.807 62.100 -0.256 0.000 1.139 204 T CB -1.258 67.369 68.868 -0.402 0.000 0.867 204 T HN 0.484 nan 8.240 nan 0.000 0.454 205 T N 1.377 115.879 114.554 -0.086 0.000 2.777 205 T HA 0.045 4.394 4.350 -0.002 0.000 0.266 205 T C 1.347 176.062 174.700 0.026 0.000 1.040 205 T CA 1.145 63.217 62.100 -0.046 0.000 1.141 205 T CB -0.630 68.169 68.868 -0.114 0.000 0.868 205 T HN 0.396 nan 8.240 nan 0.000 0.444 206 F N 0.477 120.349 119.950 -0.130 0.000 2.095 206 F HA -0.128 4.398 4.527 -0.002 0.000 0.298 206 F C 1.806 177.597 175.800 -0.015 0.000 1.104 206 F CA 1.289 59.239 58.000 -0.083 0.000 1.232 206 F CB -0.458 38.314 39.000 -0.380 0.000 0.987 206 F HN 0.253 nan 8.300 nan 0.000 0.475 207 W N -0.024 121.535 121.300 0.432 0.000 2.436 207 W HA -0.085 4.574 4.660 -0.002 0.000 0.284 207 W C 2.849 179.462 176.519 0.156 0.000 1.225 207 W CA 0.882 58.404 57.345 0.294 0.000 1.271 207 W CB -0.696 28.930 29.460 0.276 0.000 1.114 207 W HN 0.124 nan 8.180 nan 0.000 0.559 208 S N -0.356 115.528 115.700 0.308 0.000 2.425 208 S HA -0.069 4.400 4.470 -0.002 0.000 0.225 208 S C 1.418 176.101 174.600 0.138 0.000 1.024 208 S CA 0.798 59.115 58.200 0.195 0.000 0.951 208 S CB -0.278 63.001 63.200 0.132 0.000 0.796 208 S HN 0.151 nan 8.310 nan 0.000 0.498 209 E N 2.112 122.390 120.200 0.131 0.000 2.474 209 E HA 0.151 4.499 4.350 -0.002 0.000 0.194 209 E C 0.803 177.520 176.600 0.194 0.000 1.041 209 E CA 0.321 56.802 56.400 0.136 0.000 0.874 209 E CB 0.317 30.062 29.700 0.075 0.000 0.914 209 E HN 0.732 nan 8.360 nan 0.000 0.498 210 S N 0.403 116.176 115.700 0.122 0.000 2.693 210 S HA 0.363 4.831 4.470 -0.002 0.000 0.276 210 S C 0.232 174.771 174.600 -0.103 0.000 1.192 210 S CA -0.927 57.204 58.200 -0.115 0.000 0.994 210 S CB 1.492 64.462 63.200 -0.382 0.000 1.012 210 S HN 0.047 nan 8.310 nan 0.000 0.550 211 L N 1.553 122.634 121.223 -0.237 0.000 2.514 211 L HA 0.142 4.481 4.340 -0.002 0.000 0.280 211 L C 1.846 178.726 176.870 0.018 0.000 1.223 211 L CA 0.535 55.289 54.840 -0.143 0.000 0.864 211 L CB -0.089 41.811 42.059 -0.264 0.000 1.118 211 L HN 1.033 nan 8.230 nan 0.000 0.494 212 E N 3.109 123.364 120.200 0.092 0.000 2.171 212 E HA -0.274 4.075 4.350 -0.002 0.000 0.197 212 E C 1.645 178.385 176.600 0.233 0.000 0.997 212 E CA 1.414 57.933 56.400 0.198 0.000 0.810 212 E CB 0.078 29.941 29.700 0.273 0.000 0.738 212 E HN 0.889 nan 8.360 nan 0.000 0.467 213 A N 0.360 123.307 122.820 0.210 0.000 2.019 213 A HA -0.120 4.199 4.320 -0.002 0.000 0.219 213 A C 2.335 180.068 177.584 0.249 0.000 1.164 213 A CA 1.301 53.483 52.037 0.242 0.000 0.644 213 A CB -0.435 18.716 19.000 0.252 0.000 0.805 213 A HN 0.236 nan 8.150 nan 0.000 0.449 214 V N 0.429 120.492 119.914 0.248 0.000 2.295 214 V HA -0.244 3.875 4.120 -0.002 0.000 0.246 214 V C 2.391 178.815 176.094 0.549 0.000 1.049 214 V CA 2.453 64.973 62.300 0.367 0.000 1.024 214 V CB -0.689 31.289 31.823 0.258 0.000 0.648 214 V HN 0.725 nan 8.190 nan 0.000 0.447 215 D N -0.039 120.618 120.400 0.429 0.000 2.117 215 D HA -0.131 4.507 4.640 -0.002 0.000 0.198 215 D C 1.976 178.339 176.300 0.104 0.000 0.982 215 D CA 1.369 55.503 54.000 0.223 0.000 0.828 215 D CB -0.160 40.761 40.800 0.202 0.000 0.967 215 D HN 0.425 nan 8.370 nan 0.000 0.464 216 I N 0.398 121.068 120.570 0.166 0.000 2.179 216 I HA -0.183 3.986 4.170 -0.002 0.000 0.242 216 I C 2.292 178.488 176.117 0.132 0.000 1.088 216 I CA 0.926 62.309 61.300 0.138 0.000 1.357 216 I CB -0.213 37.917 38.000 0.216 0.000 1.051 216 I HN 0.023 nan 8.210 nan 0.000 0.409 217 E N 0.152 120.448 120.200 0.161 0.000 2.110 217 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 217 E C 2.100 178.724 176.600 0.040 0.000 0.988 217 E CA 1.452 57.909 56.400 0.096 0.000 0.804 217 E CB -0.381 29.356 29.700 0.061 0.000 0.745 217 E HN 0.599 nan 8.360 nan 0.000 0.458 218 H N 0.020 119.159 119.070 0.115 0.000 2.389 218 H HA 0.069 4.623 4.556 -0.002 0.000 0.299 218 H C 2.216 177.627 175.328 0.137 0.000 1.081 218 H CA 1.360 57.487 56.048 0.131 0.000 1.345 218 H CB 0.183 30.013 29.762 0.113 0.000 1.393 218 H HN -0.005 nan 8.280 nan 0.000 0.520 219 R N -0.105 120.450 120.500 0.092 0.000 2.090 219 R HA 0.000 4.339 4.340 -0.002 0.000 0.228 219 R C 2.471 178.818 176.300 0.078 0.000 1.110 219 R CA 0.885 56.992 56.100 0.011 0.000 0.973 219 R CB -0.113 30.125 30.300 -0.103 0.000 0.869 219 R HN 0.273 nan 8.270 nan 0.000 0.440 220 A N 1.319 124.179 122.820 0.067 0.000 1.902 220 A HA -0.102 4.217 4.320 -0.002 0.000 0.217 220 A C 2.364 180.016 177.584 0.114 0.000 1.181 220 A CA 1.652 53.717 52.037 0.046 0.000 0.623 220 A CB -0.616 18.417 19.000 0.055 0.000 0.818 220 A HN 0.383 nan 8.150 nan 0.000 0.443 221 A N -1.335 121.584 122.820 0.166 0.000 1.902 221 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 221 A C 2.119 179.887 177.584 0.307 0.000 1.181 221 A CA 1.400 53.558 52.037 0.201 0.000 0.623 221 A CB -0.879 18.193 19.000 0.121 0.000 0.818 221 A HN 0.840 nan 8.150 nan 0.000 0.443 222 W N 0.264 121.690 121.300 0.211 0.000 2.355 222 W HA -0.166 4.493 4.660 -0.002 0.000 0.309 222 W C 1.777 178.253 176.519 -0.072 0.000 1.206 222 W CA 1.879 59.237 57.345 0.023 0.000 1.284 222 W CB -0.392 29.010 29.460 -0.097 0.000 1.145 222 W HN 0.359 nan 8.180 nan 0.000 0.502 223 L N 1.034 122.365 121.223 0.180 0.000 2.093 223 L HA -0.123 4.216 4.340 -0.002 0.000 0.208 223 L C 2.363 179.210 176.870 -0.038 0.000 1.085 223 L CA 1.794 56.636 54.840 0.004 0.000 0.755 223 L CB -1.084 40.931 42.059 -0.073 0.000 0.904 223 L HN -0.089 nan 8.230 nan 0.000 0.435 224 L N -0.820 120.419 121.223 0.027 0.000 2.217 224 L HA -0.078 4.261 4.340 -0.002 0.000 0.211 224 L C 2.578 179.459 176.870 0.018 0.000 1.107 224 L CA 0.850 55.730 54.840 0.066 0.000 0.783 224 L CB -0.718 41.422 42.059 0.135 0.000 0.919 224 L HN 0.357 nan 8.230 nan 0.000 0.442 225 A N 0.143 122.940 122.820 -0.039 0.000 1.930 225 A HA -0.221 4.097 4.320 -0.002 0.000 0.217 225 A C 2.284 179.770 177.584 -0.163 0.000 1.175 225 A CA 1.733 53.712 52.037 -0.097 0.000 0.627 225 A CB -0.290 18.607 19.000 -0.172 0.000 0.815 225 A HN 0.212 nan 8.150 nan 0.000 0.443 226 K N 0.274 120.527 120.400 -0.245 0.000 2.097 226 K HA -0.153 4.166 4.320 -0.002 0.000 0.205 226 K C 2.129 178.599 176.600 -0.217 0.000 1.050 226 K CA 1.975 58.071 56.287 -0.318 0.000 0.938 226 K CB -0.433 31.791 32.500 -0.462 0.000 0.718 226 K HN 0.594 nan 8.250 nan 0.000 0.442 227 Q N 0.385 120.126 119.800 -0.100 0.000 2.084 227 Q HA -0.173 4.165 4.340 -0.002 0.000 0.202 227 Q C 1.740 177.766 176.000 0.043 0.000 0.978 227 Q CA 1.756 57.562 55.803 0.004 0.000 0.844 227 Q CB -0.054 28.751 28.738 0.111 0.000 0.898 227 Q HN 0.472 nan 8.270 nan 0.000 0.426 228 E N -0.051 120.186 120.200 0.062 0.000 2.110 228 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 228 E C 2.170 178.910 176.600 0.232 0.000 0.988 228 E CA 0.852 57.330 56.400 0.131 0.000 0.804 228 E CB 0.031 29.791 29.700 0.099 0.000 0.745 228 E HN 0.268 nan 8.360 nan 0.000 0.458 229 R N 0.429 120.996 120.500 0.111 0.000 2.092 229 R HA -0.075 4.264 4.340 -0.002 0.000 0.231 229 R C 2.031 178.487 176.300 0.260 0.000 1.119 229 R CA 1.029 57.204 56.100 0.125 0.000 0.970 229 R CB 0.018 30.285 30.300 -0.055 0.000 0.864 229 R HN 0.133 nan 8.270 nan 0.000 0.440 230 N N -0.188 118.581 118.700 0.115 0.000 2.084 230 N HA -0.067 4.671 4.740 -0.002 0.000 0.190 230 N C 0.979 176.720 175.510 0.384 0.000 1.030 230 N CA 1.440 54.597 53.050 0.179 0.000 0.849 230 N CB -0.333 38.030 38.487 -0.206 0.000 1.012 230 N HN 0.342 nan 8.380 nan 0.000 0.423 231 G N 0.190 109.058 108.800 0.114 0.000 2.829 231 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.628 231 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.628 231 G C -1.193 173.782 174.900 0.124 0.000 1.412 231 G CA -0.524 44.476 45.100 -0.167 0.000 0.864 231 G HN 0.202 nan 8.290 nan 0.000 0.544 232 F N 2.020 121.956 119.950 -0.023 0.000 2.402 232 F HA 0.625 5.151 4.527 -0.002 0.000 0.355 232 F C -1.925 173.930 175.800 0.091 0.000 1.123 232 F CA -2.826 55.239 58.000 0.108 0.000 1.021 232 F CB 1.877 40.976 39.000 0.165 0.000 1.160 232 F HN 0.254 nan 8.300 nan 0.000 0.451 233 P HA 0.002 nan 4.420 nan 0.000 0.262 233 P C -1.218 176.258 177.300 0.294 0.000 1.182 233 P CA 0.606 63.847 63.100 0.235 0.000 0.761 233 P CB 0.164 31.963 31.700 0.166 0.000 0.795 234 F N 2.792 122.668 119.950 -0.123 0.000 2.540 234 F HA 0.320 4.845 4.527 -0.002 0.000 0.317 234 F C -0.279 175.247 175.800 -0.458 0.000 1.104 234 F CA -1.068 56.681 58.000 -0.419 0.000 0.913 234 F CB 1.550 40.266 39.000 -0.474 0.000 1.170 234 F HN 0.106 nan 8.300 nan 0.000 0.450 235 D N 4.118 123.704 120.400 -1.356 0.000 2.483 235 D HA 0.148 4.787 4.640 -0.002 0.000 0.220 235 D C 1.012 176.724 176.300 -0.980 0.000 1.173 235 D CA 0.259 53.590 54.000 -1.115 0.000 0.964 235 D CB 0.914 40.991 40.800 -1.206 0.000 1.046 235 D HN 0.676 nan 8.370 nan 0.000 0.517 236 T N 2.410 116.618 114.554 -0.578 0.000 2.635 236 T HA -0.182 4.167 4.350 -0.002 0.000 0.267 236 T C 1.818 176.395 174.700 -0.204 0.000 1.040 236 T CA 0.898 62.835 62.100 -0.272 0.000 1.156 236 T CB 0.145 68.993 68.868 -0.034 0.000 0.863 236 T HN 0.283 nan 8.240 nan 0.000 0.430 237 K N 1.168 121.462 120.400 -0.177 0.000 2.063 237 K HA 0.008 4.327 4.320 -0.002 0.000 0.208 237 K C 2.587 179.118 176.600 -0.116 0.000 1.048 237 K CA 1.451 57.672 56.287 -0.110 0.000 0.928 237 K CB -0.824 31.622 32.500 -0.089 0.000 0.713 237 K HN 0.389 nan 8.250 nan 0.000 0.442 238 A N 1.273 123.976 122.820 -0.196 0.000 1.933 238 A HA -0.144 4.174 4.320 -0.002 0.000 0.218 238 A C 2.065 179.588 177.584 -0.101 0.000 1.175 238 A CA 1.237 53.183 52.037 -0.151 0.000 0.628 238 A CB -0.334 18.539 19.000 -0.211 0.000 0.814 238 A HN 0.150 nan 8.150 nan 0.000 0.444 239 I N 0.061 120.538 120.570 -0.154 0.000 2.439 239 I HA -0.136 4.033 4.170 -0.002 0.000 0.251 239 I C 2.175 178.343 176.117 0.084 0.000 1.139 239 I CA 1.134 62.439 61.300 0.008 0.000 1.438 239 I CB -1.479 36.582 38.000 0.101 0.000 1.085 239 I HN 0.473 nan 8.210 nan 0.000 0.427 240 E N 0.769 121.004 120.200 0.058 0.000 2.106 240 E HA -0.198 4.151 4.350 -0.002 0.000 0.192 240 E C 1.885 178.544 176.600 0.098 0.000 0.984 240 E CA 0.972 57.445 56.400 0.121 0.000 0.806 240 E CB -0.020 29.727 29.700 0.078 0.000 0.750 240 E HN 0.564 nan 8.360 nan 0.000 0.458 241 E N 0.585 120.808 120.200 0.039 0.000 2.208 241 E HA -0.154 4.194 4.350 -0.002 0.000 0.193 241 E C 2.034 178.652 176.600 0.031 0.000 0.988 241 E CA 0.401 56.813 56.400 0.020 0.000 0.828 241 E CB 0.017 29.719 29.700 0.003 0.000 0.763 241 E HN 0.100 nan 8.360 nan 0.000 0.478 242 L N 0.488 121.743 121.223 0.054 0.000 2.109 242 L HA -0.139 4.199 4.340 -0.002 0.000 0.207 242 L C 2.163 179.068 176.870 0.060 0.000 1.086 242 L CA 1.546 56.416 54.840 0.049 0.000 0.760 242 L CB -0.646 41.456 42.059 0.072 0.000 0.910 242 L HN 0.077 nan 8.230 nan 0.000 0.437 243 Y N -0.107 120.162 120.300 -0.052 0.000 2.114 243 Y HA -0.208 4.341 4.550 -0.002 0.000 0.284 243 Y C 2.426 178.283 175.900 -0.071 0.000 1.143 243 Y CA 1.945 60.003 58.100 -0.070 0.000 1.135 243 Y CB -0.982 37.455 38.460 -0.039 0.000 0.980 243 Y HN 0.011 nan 8.280 nan 0.000 0.499 244 V N 1.123 120.940 119.914 -0.161 0.000 2.250 244 V HA -0.390 3.728 4.120 -0.002 0.000 0.250 244 V C 2.486 178.484 176.094 -0.161 0.000 1.060 244 V CA 2.484 64.640 62.300 -0.239 0.000 1.030 244 V CB -0.888 30.859 31.823 -0.127 0.000 0.643 244 V HN 0.539 nan 8.190 nan 0.000 0.445 245 E N -0.148 120.001 120.200 -0.085 0.000 2.058 245 E HA -0.244 4.104 4.350 -0.002 0.000 0.194 245 E C 2.234 178.779 176.600 -0.091 0.000 0.997 245 E CA 1.768 58.132 56.400 -0.059 0.000 0.801 245 E CB -0.190 29.501 29.700 -0.017 0.000 0.746 245 E HN 0.591 nan 8.360 nan 0.000 0.450 246 L N 0.355 121.496 121.223 -0.136 0.000 2.083 246 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 246 L C 2.716 179.509 176.870 -0.129 0.000 1.083 246 L CA 1.013 55.743 54.840 -0.183 0.000 0.752 246 L CB -0.465 41.465 42.059 -0.215 0.000 0.899 246 L HN 0.238 nan 8.230 nan 0.000 0.433 247 A N -0.008 122.724 122.820 -0.146 0.000 1.933 247 A HA -0.151 4.167 4.320 -0.002 0.000 0.218 247 A C 2.518 180.035 177.584 -0.112 0.000 1.175 247 A CA 1.702 53.641 52.037 -0.164 0.000 0.628 247 A CB -0.602 18.188 19.000 -0.350 0.000 0.814 247 A HN 0.404 nan 8.150 nan 0.000 0.444 248 A N -0.311 122.448 122.820 -0.101 0.000 1.898 248 A HA -0.093 4.226 4.320 -0.002 0.000 0.216 248 A C 2.173 179.745 177.584 -0.020 0.000 1.181 248 A CA 1.950 53.954 52.037 -0.055 0.000 0.620 248 A CB -0.416 18.555 19.000 -0.048 0.000 0.819 248 A HN 0.419 nan 8.150 nan 0.000 0.442 249 R N 0.331 120.819 120.500 -0.020 0.000 2.096 249 R HA -0.096 4.243 4.340 -0.002 0.000 0.235 249 R C 2.224 178.538 176.300 0.025 0.000 1.127 249 R CA 1.972 58.080 56.100 0.014 0.000 0.968 249 R CB -0.666 29.649 30.300 0.025 0.000 0.861 249 R HN 0.588 nan 8.270 nan 0.000 0.440 250 R N -0.437 120.049 120.500 -0.022 0.000 2.070 250 R HA -0.055 4.284 4.340 -0.002 0.000 0.233 250 R C 2.036 178.400 176.300 0.107 0.000 1.137 250 R CA 1.951 58.040 56.100 -0.017 0.000 0.945 250 R CB -0.393 29.831 30.300 -0.126 0.000 0.845 250 R HN 0.213 nan 8.270 nan 0.000 0.430 251 S N 0.610 116.342 115.700 0.054 0.000 2.365 251 S HA -0.201 4.268 4.470 -0.002 0.000 0.225 251 S C 1.700 176.349 174.600 0.082 0.000 1.039 251 S CA 1.752 59.991 58.200 0.065 0.000 1.033 251 S CB -0.326 62.885 63.200 0.020 0.000 0.887 251 S HN 0.397 nan 8.310 nan 0.000 0.447 252 E N 1.277 121.519 120.200 0.069 0.000 2.106 252 E HA 0.005 4.353 4.350 -0.002 0.000 0.192 252 E C 1.871 178.530 176.600 0.099 0.000 0.984 252 E CA 0.909 57.349 56.400 0.068 0.000 0.806 252 E CB -0.394 29.337 29.700 0.051 0.000 0.750 252 E HN 0.476 nan 8.360 nan 0.000 0.458 253 L N -0.167 121.145 121.223 0.149 0.000 2.093 253 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 253 L C 2.338 179.322 176.870 0.190 0.000 1.085 253 L CA 0.607 55.565 54.840 0.198 0.000 0.755 253 L CB -0.388 41.861 42.059 0.317 0.000 0.904 253 L HN 0.242 nan 8.230 nan 0.000 0.435 254 L N 0.009 121.360 121.223 0.212 0.000 2.056 254 L HA -0.183 4.155 4.340 -0.002 0.000 0.207 254 L C 2.709 179.640 176.870 0.103 0.000 1.078 254 L CA 1.629 56.549 54.840 0.133 0.000 0.749 254 L CB -0.605 41.555 42.059 0.169 0.000 0.901 254 L HN 0.110 nan 8.230 nan 0.000 0.433 255 R N -0.280 120.273 120.500 0.087 0.000 2.083 255 R HA -0.207 4.131 4.340 -0.002 0.000 0.237 255 R C 2.297 178.625 176.300 0.045 0.000 1.137 255 R CA 2.020 58.154 56.100 0.057 0.000 0.951 255 R CB -0.155 30.170 30.300 0.043 0.000 0.851 255 R HN 0.375 nan 8.270 nan 0.000 0.434 256 K N 0.125 120.553 120.400 0.046 0.000 2.097 256 K HA -0.110 4.208 4.320 -0.002 0.000 0.206 256 K C 2.101 178.699 176.600 -0.004 0.000 1.049 256 K CA 1.218 57.514 56.287 0.015 0.000 0.933 256 K CB -0.060 32.454 32.500 0.023 0.000 0.717 256 K HN 0.248 nan 8.250 nan 0.000 0.442 257 L N 0.718 121.984 121.223 0.070 0.000 2.240 257 L HA -0.094 4.244 4.340 -0.002 0.000 0.211 257 L C 2.485 179.448 176.870 0.155 0.000 1.106 257 L CA 1.146 56.068 54.840 0.138 0.000 0.793 257 L CB -0.537 41.722 42.059 0.334 0.000 0.927 257 L HN 0.339 nan 8.230 nan 0.000 0.446 258 T N -3.949 110.693 114.554 0.147 0.000 3.055 258 T HA -0.026 4.323 4.350 -0.002 0.000 0.265 258 T C 1.777 176.501 174.700 0.041 0.000 1.111 258 T CA 1.069 63.256 62.100 0.145 0.000 1.118 258 T CB -0.112 68.823 68.868 0.113 0.000 0.909 258 T HN 0.420 nan 8.240 nan 0.000 0.501 259 E N 1.273 121.461 120.200 -0.020 0.000 2.190 259 E HA 0.045 4.393 4.350 -0.002 0.000 0.191 259 E C 2.156 178.667 176.600 -0.148 0.000 0.978 259 E CA 1.186 57.551 56.400 -0.058 0.000 0.839 259 E CB -1.377 28.293 29.700 -0.051 0.000 0.787 259 E HN 0.648 nan 8.360 nan 0.000 0.473 260 T N -0.052 114.330 114.554 -0.287 0.000 2.942 260 T HA 0.205 4.554 4.350 -0.002 0.000 0.265 260 T C -0.319 173.924 174.700 -0.762 0.000 1.062 260 T CA 0.506 62.261 62.100 -0.575 0.000 1.139 260 T CB -0.178 68.178 68.868 -0.854 0.000 0.883 260 T HN 0.298 nan 8.240 nan 0.000 0.468 261 F N 1.011 120.821 119.950 -0.234 0.000 2.477 261 F HA 0.635 5.161 4.527 -0.002 0.000 0.335 261 F C 0.700 176.438 175.800 -0.102 0.000 1.130 261 F CA -1.786 56.024 58.000 -0.317 0.000 0.948 261 F CB 1.166 39.621 39.000 -0.909 0.000 1.154 261 F HN -0.060 nan 8.300 nan 0.000 0.439 262 G N 0.890 109.787 108.800 0.162 0.000 2.451 262 G HA2 0.490 4.449 3.960 -0.002 0.000 0.303 262 G HA3 0.490 4.449 3.960 -0.002 0.000 0.303 262 G C -0.336 174.747 174.900 0.304 0.000 1.166 262 G CA -0.700 44.506 45.100 0.178 0.000 0.884 262 G HN 0.710 nan 8.290 nan 0.000 0.514 263 S N -0.646 115.145 115.700 0.152 0.000 2.589 263 S HA 0.584 5.053 4.470 -0.002 0.000 0.265 263 S C -0.325 174.396 174.600 0.203 0.000 1.342 263 S CA -0.098 58.076 58.200 -0.044 0.000 1.005 263 S CB 0.546 63.469 63.200 -0.462 0.000 0.909 263 S HN 1.022 nan 8.310 nan 0.000 0.555 264 W N -0.986 120.273 121.300 -0.069 0.000 3.098 264 W HA 0.753 5.411 4.660 -0.002 0.000 0.367 264 W C -2.166 174.307 176.519 -0.078 0.000 1.163 264 W CA -1.579 55.773 57.345 0.012 0.000 1.113 264 W CB 0.432 29.908 29.460 0.027 0.000 1.501 264 W HN 0.535 nan 8.180 nan 0.000 0.598 265 Y N 1.681 122.197 120.300 0.360 0.000 2.409 265 Y HA 0.482 5.031 4.550 -0.002 0.000 0.339 265 Y C 0.219 176.290 175.900 0.287 0.000 1.033 265 Y CA -0.784 57.442 58.100 0.210 0.000 1.094 265 Y CB 2.146 40.696 38.460 0.149 0.000 1.210 265 Y HN 0.278 nan 8.280 nan 0.000 0.456 266 Q N 4.730 124.712 119.800 0.303 0.000 2.375 266 Q HA 0.392 4.730 4.340 -0.002 0.000 0.271 266 Q C -2.744 173.377 176.000 0.201 0.000 1.074 266 Q CA -2.487 53.474 55.803 0.264 0.000 0.808 266 Q CB 2.736 31.603 28.738 0.216 0.000 1.327 266 Q HN 0.329 nan 8.270 nan 0.000 0.441 267 P HA 0.131 nan 4.420 nan 0.000 0.276 267 P C -1.011 176.349 177.300 0.100 0.000 1.230 267 P CA -0.173 62.999 63.100 0.119 0.000 0.776 267 P CB 0.890 32.644 31.700 0.091 0.000 0.888 268 K N 1.937 122.390 120.400 0.087 0.000 2.561 268 K HA 0.523 4.842 4.320 -0.002 0.000 0.254 268 K C 0.125 176.758 176.600 0.054 0.000 0.942 268 K CA 0.144 56.473 56.287 0.070 0.000 0.818 268 K CB 0.720 33.266 32.500 0.076 0.000 1.306 268 K HN 0.587 nan 8.250 nan 0.000 0.435 269 G N 1.479 110.300 108.800 0.035 0.000 2.131 269 G HA2 -0.116 3.842 3.960 -0.002 0.000 0.223 269 G HA3 -0.116 3.842 3.960 -0.002 0.000 0.223 269 G C 0.342 175.234 174.900 -0.013 0.000 0.990 269 G CA -0.128 44.984 45.100 0.020 0.000 0.671 269 G HN 0.963 nan 8.290 nan 0.000 0.521 270 G N -0.460 108.329 108.800 -0.018 0.000 2.395 270 G HA2 0.633 4.591 3.960 -0.002 0.000 0.283 270 G HA3 0.633 4.591 3.960 -0.002 0.000 0.283 270 G C 0.880 175.762 174.900 -0.029 0.000 1.178 270 G CA 0.978 46.047 45.100 -0.050 0.000 0.837 270 G HN 1.028 nan 8.290 nan 0.000 0.518 271 T N -0.228 114.300 114.554 -0.044 0.000 3.205 271 T HA 0.202 4.551 4.350 -0.002 0.000 0.238 271 T C 0.721 175.414 174.700 -0.013 0.000 0.974 271 T CA -0.014 62.072 62.100 -0.023 0.000 1.246 271 T CB -0.199 68.652 68.868 -0.029 0.000 1.007 271 T HN 0.502 nan 8.240 nan 0.000 0.414 272 E N 1.620 121.806 120.200 -0.023 0.000 2.404 272 E HA 0.373 4.722 4.350 -0.002 0.000 0.261 272 E C -0.382 176.231 176.600 0.023 0.000 1.074 272 E CA -0.380 56.017 56.400 -0.005 0.000 0.917 272 E CB 0.519 30.211 29.700 -0.015 0.000 0.965 272 E HN 0.464 nan 8.360 nan 0.000 0.433 273 M N 2.807 122.428 119.600 0.034 0.000 2.274 273 M HA 0.274 4.753 4.480 -0.002 0.000 0.344 273 M C -0.975 175.386 176.300 0.100 0.000 1.161 273 M CA -0.460 54.882 55.300 0.069 0.000 1.126 273 M CB 0.554 33.181 32.600 0.045 0.000 1.522 273 M HN 0.482 nan 8.290 nan 0.000 0.461 274 F N 5.096 125.042 119.950 -0.008 0.000 2.438 274 F HA 0.481 5.006 4.527 -0.002 0.000 0.356 274 F C -1.121 174.658 175.800 -0.036 0.000 1.099 274 F CA -0.722 57.252 58.000 -0.043 0.000 1.185 274 F CB 0.325 39.278 39.000 -0.077 0.000 1.115 274 F HN 0.626 nan 8.300 nan 0.000 0.526 275 C N 5.766 124.581 119.300 -0.808 0.000 2.507 275 C HA 0.273 4.731 4.460 -0.002 0.000 0.319 275 C C -0.104 174.369 174.990 -0.861 0.000 1.208 275 C CA -0.971 57.672 59.018 -0.626 0.000 1.619 275 C CB 0.787 28.357 27.740 -0.284 0.000 2.230 275 C HN 0.888 nan 8.230 nan 0.000 0.492 276 H N 2.899 121.597 119.070 -0.619 0.000 3.138 276 H HA 0.047 4.601 4.556 -0.002 0.000 0.275 276 H C -1.549 173.608 175.328 -0.284 0.000 0.997 276 H CA -0.880 54.909 56.048 -0.432 0.000 1.460 276 H CB 0.797 30.435 29.762 -0.207 0.000 1.524 276 H HN 0.430 nan 8.280 nan 0.000 0.532 277 P HA -0.193 nan 4.420 nan 0.000 0.218 277 P C 1.469 178.764 177.300 -0.009 0.000 1.148 277 P CA 1.119 64.237 63.100 0.031 0.000 0.822 277 P CB 0.136 31.883 31.700 0.079 0.000 0.784 278 R N -0.754 119.724 120.500 -0.038 0.000 2.107 278 R HA -0.087 4.252 4.340 -0.002 0.000 0.223 278 R C 1.791 177.910 176.300 -0.301 0.000 1.138 278 R CA 2.420 58.369 56.100 -0.251 0.000 0.900 278 R CB -0.995 29.026 30.300 -0.466 0.000 0.814 278 R HN 0.077 nan 8.270 nan 0.000 0.437 279 T N -1.948 112.310 114.554 -0.493 0.000 2.697 279 T HA 0.152 4.501 4.350 -0.002 0.000 0.244 279 T C 1.164 175.754 174.700 -0.183 0.000 1.090 279 T CA 1.144 63.075 62.100 -0.281 0.000 1.255 279 T CB -0.187 68.519 68.868 -0.269 0.000 0.931 279 T HN 0.641 nan 8.240 nan 0.000 0.406 280 G N 0.221 108.924 108.800 -0.163 0.000 4.106 280 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.220 280 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.220 280 G C 0.034 174.882 174.900 -0.087 0.000 0.853 280 G CA -0.431 44.602 45.100 -0.111 0.000 0.920 280 G HN 0.447 nan 8.290 nan 0.000 0.715 281 K N 1.944 122.304 120.400 -0.067 0.000 2.402 281 K HA 0.255 4.573 4.320 -0.002 0.000 0.279 281 K C -2.242 174.340 176.600 -0.030 0.000 1.082 281 K CA -0.895 55.377 56.287 -0.024 0.000 1.080 281 K CB 0.379 32.890 32.500 0.018 0.000 0.899 281 K HN 0.028 nan 8.250 nan 0.000 0.469 282 P HA -0.038 nan 4.420 nan 0.000 0.269 282 P C -0.920 176.392 177.300 0.021 0.000 1.209 282 P CA 0.199 63.279 63.100 -0.033 0.000 0.776 282 P CB 0.484 32.178 31.700 -0.010 0.000 0.876 283 L N 5.151 126.407 121.223 0.054 0.000 2.506 283 L HA 0.287 4.625 4.340 -0.002 0.000 0.247 283 L C -1.680 175.329 176.870 0.232 0.000 1.141 283 L CA -1.548 53.410 54.840 0.197 0.000 0.973 283 L CB 1.368 43.633 42.059 0.343 0.000 1.319 283 L HN 0.247 nan 8.230 nan 0.000 0.455 284 P HA -0.220 nan 4.420 nan 0.000 0.218 284 P C 1.688 179.058 177.300 0.115 0.000 1.146 284 P CA 1.381 64.548 63.100 0.112 0.000 0.813 284 P CB 0.273 32.016 31.700 0.070 0.000 0.778 285 K N -1.287 119.184 120.400 0.119 0.000 2.103 285 K HA -0.092 4.227 4.320 -0.002 0.000 0.204 285 K C 0.880 177.498 176.600 0.031 0.000 1.052 285 K CA 0.919 57.231 56.287 0.042 0.000 0.945 285 K CB -1.711 30.774 32.500 -0.025 0.000 0.722 285 K HN 0.139 nan 8.250 nan 0.000 0.443 286 Y N 1.025 121.377 120.300 0.087 0.000 2.550 286 Y HA 0.207 4.756 4.550 -0.002 0.000 0.343 286 Y C -1.830 174.102 175.900 0.054 0.000 1.245 286 Y CA -2.182 55.962 58.100 0.073 0.000 1.462 286 Y CB 0.409 38.962 38.460 0.156 0.000 1.340 286 Y HN 0.115 nan 8.280 nan 0.000 0.604 287 P HA 0.051 nan 4.420 nan 0.000 0.269 287 P C -0.672 176.687 177.300 0.098 0.000 1.209 287 P CA -0.224 62.937 63.100 0.102 0.000 0.776 287 P CB 0.543 32.285 31.700 0.069 0.000 0.876 288 R N 2.327 122.867 120.500 0.067 0.000 2.679 288 R HA 0.216 4.555 4.340 -0.002 0.000 0.268 288 R C 0.756 177.050 176.300 -0.010 0.000 1.044 288 R CA 0.084 56.211 56.100 0.046 0.000 1.105 288 R CB -0.445 29.870 30.300 0.024 0.000 0.989 288 R HN 0.580 nan 8.270 nan 0.000 0.447 289 I N -2.060 118.494 120.570 -0.026 0.000 3.709 289 I HA 0.615 4.784 4.170 -0.002 0.000 0.274 289 I C -0.299 175.687 176.117 -0.217 0.000 1.240 289 I CA -1.076 60.144 61.300 -0.133 0.000 1.076 289 I CB 1.628 39.593 38.000 -0.058 0.000 1.389 289 I HN 0.268 nan 8.210 nan 0.000 0.529 290 K N 0.082 120.251 120.400 -0.385 0.000 2.543 290 K HA 0.477 4.796 4.320 -0.002 0.000 0.255 290 K C -1.722 174.689 176.600 -0.315 0.000 0.934 290 K CA -0.419 55.632 56.287 -0.394 0.000 0.810 290 K CB 2.372 34.507 32.500 -0.608 0.000 1.315 290 K HN 0.793 nan 8.250 nan 0.000 0.433 291 T N 5.447 119.919 114.554 -0.136 0.000 2.864 291 T HA 0.346 4.695 4.350 -0.002 0.000 0.310 291 T C -2.485 172.207 174.700 -0.013 0.000 1.040 291 T CA -1.186 60.893 62.100 -0.034 0.000 0.977 291 T CB 1.173 70.037 68.868 -0.005 0.000 0.976 291 T HN 0.441 nan 8.240 nan 0.000 0.459 292 P HA 0.311 nan 4.420 nan 0.000 0.269 292 P C 0.389 177.708 177.300 0.032 0.000 1.215 292 P CA -0.279 62.823 63.100 0.003 0.000 0.780 292 P CB 0.896 32.602 31.700 0.010 0.000 0.898 293 K N 0.930 121.347 120.400 0.029 0.000 2.367 293 K HA 0.284 4.603 4.320 -0.002 0.000 0.195 293 K C 1.006 177.633 176.600 0.045 0.000 1.060 293 K CA 0.869 57.176 56.287 0.033 0.000 1.022 293 K CB -0.338 32.175 32.500 0.022 0.000 0.894 293 K HN 0.544 nan 8.250 nan 0.000 0.540 294 V N -3.454 116.495 119.914 0.058 0.000 2.994 294 V HA 0.941 5.060 4.120 -0.002 0.000 0.318 294 V C 0.438 176.586 176.094 0.089 0.000 1.085 294 V CA -0.333 62.006 62.300 0.066 0.000 0.998 294 V CB 0.775 32.637 31.823 0.064 0.000 1.063 294 V HN 1.370 nan 8.190 nan 0.000 0.447 295 G N -0.107 108.739 108.800 0.076 0.000 2.675 295 G HA2 0.506 4.465 3.960 -0.002 0.000 0.686 295 G HA3 0.506 4.465 3.960 -0.002 0.000 0.686 295 G C -0.210 174.729 174.900 0.064 0.000 1.215 295 G CA -0.099 45.045 45.100 0.073 0.000 0.777 295 G HN 2.454 nan 8.290 nan 0.000 0.638 296 G N -1.589 107.239 108.800 0.047 0.000 2.600 296 G HA2 0.694 4.653 3.960 -0.002 0.000 0.293 296 G HA3 0.694 4.653 3.960 -0.002 0.000 0.293 296 G C 0.832 175.734 174.900 0.003 0.000 1.408 296 G CA 0.510 45.640 45.100 0.050 0.000 0.782 296 G HN 1.536 nan 8.290 nan 0.000 0.482 297 I N -0.532 120.033 120.570 -0.008 0.000 2.252 297 I HA 0.177 4.346 4.170 -0.002 0.000 0.245 297 I C 0.662 176.563 176.117 -0.361 0.000 1.102 297 I CA 1.044 62.223 61.300 -0.202 0.000 1.385 297 I CB -1.289 36.578 38.000 -0.223 0.000 1.064 297 I HN 0.307 nan 8.210 nan 0.000 0.414 298 F N 0.077 120.027 119.950 0.001 0.000 2.492 298 F HA 0.622 5.148 4.527 -0.002 0.000 0.327 298 F C 0.605 176.407 175.800 0.003 0.000 1.079 298 F CA -1.136 56.864 58.000 0.000 0.000 0.967 298 F CB 0.593 39.594 39.000 0.001 0.000 1.169 298 F HN -0.058 nan 8.300 nan 0.000 0.472 299 K N 0.951 121.462 120.400 0.184 0.000 2.326 299 K HA 0.579 4.898 4.320 -0.002 0.000 0.275 299 K C 0.203 176.867 176.600 0.107 0.000 1.018 299 K CA -0.274 56.076 56.287 0.106 0.000 0.962 299 K CB -0.592 31.952 32.500 0.073 0.000 0.953 299 K HN 0.909 nan 8.250 nan 0.000 0.475 300 K N 3.755 124.199 120.400 0.073 0.000 2.550 300 K HA 0.172 4.490 4.320 -0.002 0.000 0.280 300 K C -1.198 175.426 176.600 0.040 0.000 0.987 300 K CA -0.144 56.175 56.287 0.054 0.000 1.048 300 K CB -1.007 31.516 32.500 0.040 0.000 0.879 300 K HN 0.842 nan 8.250 nan 0.000 0.491 301 P HA 0.329 nan 4.420 nan 0.000 0.269 301 P C -0.095 177.211 177.300 0.009 0.000 1.215 301 P CA 0.176 63.281 63.100 0.007 0.000 0.780 301 P CB 0.849 32.542 31.700 -0.012 0.000 0.898 302 K N -1.522 118.882 120.400 0.006 0.000 2.932 302 K HA 0.506 4.825 4.320 -0.002 0.000 0.194 302 K C 0.206 176.807 176.600 0.003 0.000 1.132 302 K CA 0.363 56.654 56.287 0.007 0.000 1.071 302 K CB -0.589 31.918 32.500 0.011 0.000 0.727 302 K HN 1.045 nan 8.250 nan 0.000 0.441 311 E N 2.881 123.057 120.200 -0.041 0.000 2.259 311 E HA 0.591 4.939 4.350 -0.002 0.000 0.281 311 E C -2.200 174.365 176.600 -0.058 0.000 1.037 311 E CA -1.232 55.146 56.400 -0.037 0.000 0.854 311 E CB 0.028 29.714 29.700 -0.024 0.000 1.051 311 E HN 0.548 nan 8.360 nan 0.000 0.409 312 P HA 0.195 nan 4.420 nan 0.000 0.268 312 P C -0.413 176.861 177.300 -0.043 0.000 1.204 312 P CA -0.539 62.513 63.100 -0.081 0.000 0.768 312 P CB 0.477 32.165 31.700 -0.020 0.000 0.842 313 C N 1.155 120.401 119.300 -0.090 0.000 2.640 313 C HA 0.480 4.938 4.460 -0.002 0.000 0.330 313 C C 1.134 176.234 174.990 0.184 0.000 1.416 313 C CA -0.345 58.693 59.018 0.034 0.000 2.396 313 C CB -0.436 27.313 27.740 0.015 0.000 2.330 313 C HN 0.697 nan 8.230 nan 0.000 0.704 314 E N 0.617 120.914 120.200 0.162 0.000 2.130 314 E HA 0.481 4.830 4.350 -0.002 0.000 0.284 314 E C -0.348 176.343 176.600 0.152 0.000 1.018 314 E CA -0.343 56.138 56.400 0.135 0.000 0.817 314 E CB 0.235 29.978 29.700 0.072 0.000 1.078 314 E HN 0.610 nan 8.360 nan 0.000 0.396 315 L N 1.918 123.201 121.223 0.101 0.000 2.554 315 L HA 0.007 4.345 4.340 -0.002 0.000 0.293 315 L C 0.435 177.278 176.870 -0.046 0.000 1.252 315 L CA 0.159 54.959 54.840 -0.065 0.000 0.862 315 L CB 0.704 42.671 42.059 -0.154 0.000 1.113 315 L HN 0.688 nan 8.230 nan 0.000 0.510 316 D N 1.156 121.505 120.400 -0.086 0.000 2.359 316 D HA 0.077 4.716 4.640 -0.002 0.000 0.230 316 D C 0.737 176.988 176.300 -0.082 0.000 1.118 316 D CA -0.393 53.576 54.000 -0.051 0.000 0.844 316 D CB 1.179 41.962 40.800 -0.028 0.000 1.059 316 D HN 0.530 nan 8.370 nan 0.000 0.493 317 T N 0.306 114.820 114.554 -0.066 0.000 3.434 317 T HA 0.242 4.590 4.350 -0.002 0.000 0.249 317 T C 0.992 175.636 174.700 -0.094 0.000 1.050 317 T CA -0.382 61.669 62.100 -0.081 0.000 0.952 317 T CB -0.625 68.206 68.868 -0.063 0.000 1.046 317 T HN 0.386 nan 8.240 nan 0.000 0.590 318 R N 1.478 121.923 120.500 -0.091 0.000 2.459 318 R HA 0.440 4.779 4.340 -0.002 0.000 0.281 318 R C 1.147 177.334 176.300 -0.188 0.000 1.050 318 R CA -0.226 55.808 56.100 -0.110 0.000 1.055 318 R CB -0.146 30.127 30.300 -0.046 0.000 1.045 318 R HN 0.797 nan 8.270 nan 0.000 0.495 319 E N 0.013 120.007 120.200 -0.343 0.000 2.371 319 E HA -0.019 4.330 4.350 -0.002 0.000 0.194 319 E C -0.575 175.690 176.600 -0.558 0.000 1.012 319 E CA 0.416 56.510 56.400 -0.509 0.000 0.860 319 E CB -0.014 29.256 29.700 -0.716 0.000 0.811 319 E HN 0.663 nan 8.360 nan 0.000 0.502 320 Y N 0.510 120.752 120.300 -0.097 0.000 2.453 320 Y HA 0.482 5.031 4.550 -0.002 0.000 0.326 320 Y C -0.048 175.832 175.900 -0.033 0.000 1.186 320 Y CA -1.418 56.633 58.100 -0.081 0.000 1.200 320 Y CB 1.799 40.228 38.460 -0.052 0.000 1.247 320 Y HN -0.260 nan 8.280 nan 0.000 0.482 321 V N 1.868 121.891 119.914 0.182 0.000 2.482 321 V HA 0.570 4.688 4.120 -0.002 0.000 0.295 321 V C -0.229 175.932 176.094 0.113 0.000 1.026 321 V CA -1.563 60.802 62.300 0.108 0.000 0.856 321 V CB 1.193 33.057 31.823 0.068 0.000 1.001 321 V HN 0.965 nan 8.190 nan 0.000 0.424 322 A N 3.656 126.532 122.820 0.093 0.000 2.584 322 A HA 0.440 4.758 4.320 -0.002 0.000 0.239 322 A C 1.648 179.274 177.584 0.070 0.000 1.043 322 A CA 1.183 53.266 52.037 0.076 0.000 0.756 322 A CB -0.499 18.537 19.000 0.061 0.000 0.963 322 A HN 2.365 nan 8.150 nan 0.000 0.511 323 G N 1.067 109.906 108.800 0.066 0.000 2.234 323 G HA2 0.103 4.062 3.960 -0.002 0.000 0.260 323 G HA3 0.103 4.062 3.960 -0.002 0.000 0.260 323 G C 0.572 175.518 174.900 0.077 0.000 0.987 323 G CA 0.558 45.694 45.100 0.060 0.000 0.625 323 G HN 2.348 nan 8.290 nan 0.000 0.532 324 A N 2.198 125.077 122.820 0.099 0.000 2.478 324 A HA 0.703 5.022 4.320 -0.002 0.000 0.327 324 A C -1.178 176.511 177.584 0.175 0.000 1.431 324 A CA -0.810 51.299 52.037 0.119 0.000 1.014 324 A CB 0.545 19.611 19.000 0.111 0.000 1.143 324 A HN 0.320 nan 8.150 nan 0.000 0.532 325 P HA 0.383 nan 4.420 nan 0.000 0.272 325 P C -1.147 176.283 177.300 0.216 0.000 1.223 325 P CA 0.313 63.500 63.100 0.145 0.000 0.784 325 P CB 0.594 32.356 31.700 0.103 0.000 0.923 326 Y N -2.753 117.549 120.300 0.003 0.000 2.670 326 Y HA 0.602 5.150 4.550 -0.002 0.000 0.334 326 Y C -1.061 174.827 175.900 -0.020 0.000 1.185 326 Y CA -1.183 56.913 58.100 -0.005 0.000 1.053 326 Y CB 0.268 38.753 38.460 0.042 0.000 1.298 326 Y HN 0.152 nan 8.280 nan 0.000 0.459 327 T N 3.835 118.409 114.554 0.034 0.000 2.743 327 T HA 0.462 4.810 4.350 -0.002 0.000 0.292 327 T C -2.770 171.976 174.700 0.076 0.000 0.972 327 T CA -1.274 60.796 62.100 -0.050 0.000 0.967 327 T CB 0.887 69.745 68.868 -0.018 0.000 0.926 327 T HN 0.362 nan 8.240 nan 0.000 0.459 328 P HA 0.329 nan 4.420 nan 0.000 0.271 328 P C -0.760 176.617 177.300 0.129 0.000 1.216 328 P CA -0.426 62.753 63.100 0.133 0.000 0.771 328 P CB 0.593 32.318 31.700 0.042 0.000 0.864 329 V N -0.289 119.727 119.914 0.170 0.000 3.114 329 V HA 0.763 4.881 4.120 -0.002 0.000 0.308 329 V C -0.782 175.450 176.094 0.231 0.000 1.168 329 V CA -1.143 61.275 62.300 0.197 0.000 1.015 329 V CB 2.316 34.273 31.823 0.224 0.000 1.050 329 V HN 0.637 nan 8.190 nan 0.000 0.433 330 E N 0.927 121.262 120.200 0.225 0.000 2.312 330 E HA 0.495 4.844 4.350 -0.002 0.000 0.267 330 E C -1.227 175.414 176.600 0.068 0.000 0.894 330 E CA -0.839 55.653 56.400 0.153 0.000 0.773 330 E CB 2.375 32.117 29.700 0.071 0.000 1.241 330 E HN 0.938 nan 8.360 nan 0.000 0.432 331 H N 1.381 120.329 119.070 -0.203 0.000 2.620 331 H HA 0.359 4.914 4.556 -0.002 0.000 0.313 331 H C -1.203 173.843 175.328 -0.470 0.000 1.075 331 H CA -0.873 54.846 56.048 -0.549 0.000 1.397 331 H CB 1.645 31.141 29.762 -0.445 0.000 1.446 331 H HN 0.298 nan 8.280 nan 0.000 0.493 332 V N 7.150 126.612 119.914 -0.753 0.000 2.443 332 V HA 0.265 4.384 4.120 -0.002 0.000 0.293 332 V C -0.936 174.497 176.094 -1.101 0.000 1.021 332 V CA -0.560 61.212 62.300 -0.880 0.000 0.848 332 V CB 1.279 32.518 31.823 -0.974 0.000 0.998 332 V HN 0.508 nan 8.190 nan 0.000 0.424 333 V N 7.300 126.803 119.914 -0.685 0.000 2.649 333 V HA 0.298 4.417 4.120 -0.002 0.000 0.292 333 V C 0.258 176.201 176.094 -0.251 0.000 1.055 333 V CA -0.441 61.592 62.300 -0.445 0.000 1.023 333 V CB 1.346 33.009 31.823 -0.266 0.000 0.992 333 V HN 0.841 nan 8.190 nan 0.000 0.480 334 F N 5.237 125.095 119.950 -0.154 0.000 2.590 334 F HA 0.112 4.637 4.527 -0.002 0.000 0.389 334 F C 0.548 176.420 175.800 0.121 0.000 1.049 334 F CA 0.203 58.282 58.000 0.131 0.000 1.199 334 F CB 0.058 39.201 39.000 0.239 0.000 1.058 334 F HN 0.582 nan 8.300 nan 0.000 0.556 335 N N 8.424 126.941 118.700 -0.306 0.000 2.511 335 N HA 0.341 5.079 4.740 -0.002 0.000 0.249 335 N C -2.258 172.738 175.510 -0.856 0.000 0.971 335 N CA -2.474 50.301 53.050 -0.458 0.000 0.938 335 N CB 1.641 39.934 38.487 -0.323 0.000 1.131 335 N HN 0.238 nan 8.380 nan 0.000 0.505 336 P HA -0.012 nan 4.420 nan 0.000 0.223 336 P C 0.621 177.698 177.300 -0.372 0.000 1.144 336 P CA 0.936 63.546 63.100 -0.817 0.000 0.783 336 P CB 0.451 31.457 31.700 -1.156 0.000 0.771 337 S N -1.753 113.813 115.700 -0.223 0.000 2.528 337 S HA 0.031 4.500 4.470 -0.002 0.000 0.219 337 S C 1.015 175.522 174.600 -0.155 0.000 0.985 337 S CA 0.130 58.300 58.200 -0.051 0.000 0.914 337 S CB -0.379 62.842 63.200 0.036 0.000 0.776 337 S HN 0.095 nan 8.310 nan 0.000 0.526 338 S N 1.938 117.457 115.700 -0.301 0.000 2.439 338 S HA 0.228 4.697 4.470 -0.002 0.000 0.282 338 S C 1.235 175.725 174.600 -0.182 0.000 1.170 338 S CA -0.782 57.226 58.200 -0.319 0.000 1.054 338 S CB 0.262 63.034 63.200 -0.714 0.000 0.956 338 S HN 0.197 nan 8.310 nan 0.000 0.490 339 R N 3.440 123.881 120.500 -0.097 0.000 2.152 339 R HA -0.076 4.263 4.340 -0.002 0.000 0.232 339 R C 1.310 177.615 176.300 0.008 0.000 1.117 339 R CA 1.282 57.358 56.100 -0.039 0.000 0.981 339 R CB -0.707 29.581 30.300 -0.019 0.000 0.870 339 R HN 0.714 nan 8.270 nan 0.000 0.451 340 D N 0.003 120.416 120.400 0.021 0.000 2.103 340 D HA -0.108 4.530 4.640 -0.002 0.000 0.199 340 D C 1.773 178.192 176.300 0.198 0.000 0.978 340 D CA 1.169 55.232 54.000 0.106 0.000 0.829 340 D CB 0.005 40.886 40.800 0.136 0.000 0.981 340 D HN 0.392 nan 8.370 nan 0.000 0.464 341 H N -0.359 118.737 119.070 0.044 0.000 2.352 341 H HA -0.078 4.477 4.556 -0.002 0.000 0.299 341 H C 2.267 177.644 175.328 0.083 0.000 1.097 341 H CA 0.893 57.005 56.048 0.108 0.000 1.311 341 H CB 0.122 29.933 29.762 0.081 0.000 1.377 341 H HN 0.228 nan 8.280 nan 0.000 0.504 342 I N 0.826 121.483 120.570 0.144 0.000 2.226 342 I HA -0.269 3.900 4.170 -0.002 0.000 0.245 342 I C 2.859 178.972 176.117 -0.008 0.000 1.100 342 I CA 0.997 62.324 61.300 0.045 0.000 1.374 342 I CB -0.249 37.732 38.000 -0.032 0.000 1.057 342 I HN 0.328 nan 8.210 nan 0.000 0.413 343 Q N 1.963 121.796 119.800 0.055 0.000 2.084 343 Q HA -0.266 4.073 4.340 -0.002 0.000 0.202 343 Q C 2.095 178.162 176.000 0.112 0.000 0.978 343 Q CA 1.811 57.705 55.803 0.153 0.000 0.844 343 Q CB -0.162 28.665 28.738 0.148 0.000 0.898 343 Q HN 0.447 nan 8.270 nan 0.000 0.426 344 K N -0.031 120.380 120.400 0.018 0.000 2.026 344 K HA -0.139 4.180 4.320 -0.002 0.000 0.208 344 K C 2.111 178.626 176.600 -0.141 0.000 1.048 344 K CA 1.299 57.529 56.287 -0.094 0.000 0.929 344 K CB 0.094 32.456 32.500 -0.230 0.000 0.713 344 K HN 0.004 nan 8.250 nan 0.000 0.439 345 K N 0.673 120.965 120.400 -0.181 0.000 2.103 345 K HA -0.059 4.259 4.320 -0.002 0.000 0.204 345 K C 2.121 178.662 176.600 -0.099 0.000 1.052 345 K CA 0.920 57.067 56.287 -0.233 0.000 0.945 345 K CB -0.132 32.042 32.500 -0.543 0.000 0.722 345 K HN 0.269 nan 8.250 nan 0.000 0.443 346 L N 1.114 122.311 121.223 -0.045 0.000 2.217 346 L HA -0.131 4.208 4.340 -0.002 0.000 0.211 346 L C 2.491 179.514 176.870 0.255 0.000 1.107 346 L CA 0.898 55.772 54.840 0.058 0.000 0.783 346 L CB -0.343 41.643 42.059 -0.121 0.000 0.919 346 L HN 0.207 nan 8.230 nan 0.000 0.442 347 Q N 0.375 120.329 119.800 0.257 0.000 2.049 347 Q HA -0.170 4.168 4.340 -0.002 0.000 0.198 347 Q C 1.331 177.382 176.000 0.085 0.000 0.971 347 Q CA 1.069 56.981 55.803 0.182 0.000 0.833 347 Q CB -0.113 28.673 28.738 0.079 0.000 0.896 347 Q HN 0.536 nan 8.270 nan 0.000 0.434 348 E N 0.061 120.281 120.200 0.033 0.000 2.482 348 E HA -0.026 4.323 4.350 -0.002 0.000 0.200 348 E C 0.672 177.290 176.600 0.031 0.000 1.147 348 E CA 0.216 56.618 56.400 0.003 0.000 0.912 348 E CB 0.124 29.794 29.700 -0.049 0.000 0.938 348 E HN 0.278 nan 8.360 nan 0.000 0.519 349 A N -0.889 121.972 122.820 0.068 0.000 2.548 349 A HA 0.464 4.783 4.320 -0.002 0.000 0.236 349 A C 1.383 179.019 177.584 0.087 0.000 1.246 349 A CA 0.307 52.389 52.037 0.074 0.000 0.993 349 A CB 0.697 19.752 19.000 0.091 0.000 1.209 349 A HN 0.264 nan 8.150 nan 0.000 0.570 350 G N -1.938 106.925 108.800 0.105 0.000 2.205 350 G HA2 -0.209 3.749 3.960 -0.002 0.000 0.180 350 G HA3 -0.209 3.749 3.960 -0.002 0.000 0.180 350 G C -0.216 174.781 174.900 0.162 0.000 1.004 350 G CA -0.083 45.077 45.100 0.101 0.000 0.670 350 G HN 0.828 nan 8.290 nan 0.000 0.496 351 W N 2.009 123.304 121.300 -0.009 0.000 2.287 351 W HA 0.586 5.244 4.660 -0.002 0.000 0.313 351 W C -0.159 176.354 176.519 -0.010 0.000 1.267 351 W CA -0.783 56.556 57.345 -0.011 0.000 1.201 351 W CB 1.139 30.587 29.460 -0.020 0.000 1.196 351 W HN 0.214 nan 8.180 nan 0.000 0.536 352 V N 9.886 129.525 119.914 -0.458 0.000 2.311 352 V HA 0.240 4.359 4.120 -0.002 0.000 0.275 352 V C -1.769 173.761 176.094 -0.941 0.000 1.022 352 V CA -1.955 60.021 62.300 -0.541 0.000 0.830 352 V CB 0.850 32.544 31.823 -0.215 0.000 1.012 352 V HN 0.465 nan 8.190 nan 0.000 0.452 353 P HA 0.200 nan 4.420 nan 0.000 0.266 353 P C 0.591 177.679 177.300 -0.354 0.000 1.195 353 P CA 0.302 62.737 63.100 -1.109 0.000 0.768 353 P CB 0.876 31.885 31.700 -1.152 0.000 0.838 354 T N 0.894 115.348 114.554 -0.168 0.000 3.234 354 T HA 0.059 4.407 4.350 -0.002 0.000 0.235 354 T C 0.358 175.153 174.700 0.158 0.000 0.971 354 T CA 0.319 62.442 62.100 0.038 0.000 1.292 354 T CB -0.019 68.882 68.868 0.055 0.000 0.994 354 T HN 0.433 nan 8.240 nan 0.000 0.412 355 K N 1.188 121.644 120.400 0.093 0.000 2.172 355 K HA 0.490 4.809 4.320 -0.002 0.000 0.276 355 K C -1.560 175.094 176.600 0.090 0.000 1.013 355 K CA -0.494 55.882 56.287 0.148 0.000 0.913 355 K CB 0.882 33.440 32.500 0.096 0.000 1.055 355 K HN 0.184 nan 8.250 nan 0.000 0.461 356 Y N 0.196 120.503 120.300 0.011 0.000 2.598 356 Y HA 0.210 4.758 4.550 -0.002 0.000 0.340 356 Y C 0.457 176.370 175.900 0.022 0.000 1.038 356 Y CA -1.000 57.108 58.100 0.013 0.000 1.100 356 Y CB 1.911 40.366 38.460 -0.008 0.000 1.281 356 Y HN 0.736 nan 8.280 nan 0.000 0.488 357 T N -2.062 112.594 114.554 0.170 0.000 2.913 357 T HA 0.056 4.405 4.350 -0.002 0.000 0.297 357 T C 0.241 175.004 174.700 0.105 0.000 1.029 357 T CA -0.789 61.376 62.100 0.108 0.000 1.104 357 T CB 0.684 69.598 68.868 0.077 0.000 0.964 357 T HN 0.583 nan 8.240 nan 0.000 0.532 358 D N 1.389 121.832 120.400 0.072 0.000 2.911 358 D HA 0.035 4.673 4.640 -0.002 0.000 0.233 358 D C 0.365 176.692 176.300 0.046 0.000 1.134 358 D CA 0.411 54.443 54.000 0.053 0.000 1.011 358 D CB -0.505 40.320 40.800 0.041 0.000 1.174 358 D HN 0.684 nan 8.370 nan 0.000 0.440 359 K N 0.008 120.442 120.400 0.056 0.000 3.409 359 K HA 0.152 4.471 4.320 -0.002 0.000 0.141 359 K C -0.115 176.521 176.600 0.060 0.000 0.943 359 K CA 0.147 56.462 56.287 0.047 0.000 0.969 359 K CB -0.094 32.431 32.500 0.042 0.000 0.637 359 K HN 0.189 nan 8.250 nan 0.000 0.386 360 G N 1.268 110.112 108.800 0.073 0.000 2.402 360 G HA2 0.067 4.026 3.960 -0.002 0.000 0.241 360 G HA3 0.067 4.026 3.960 -0.002 0.000 0.241 360 G C -0.337 174.643 174.900 0.135 0.000 0.871 360 G CA 0.342 45.499 45.100 0.095 0.000 1.232 360 G HN 0.777 nan 8.290 nan 0.000 0.369 361 A N 3.786 126.739 122.820 0.223 0.000 2.449 361 A HA 0.663 4.981 4.320 -0.002 0.000 0.304 361 A C -2.724 174.901 177.584 0.070 0.000 1.004 361 A CA -0.280 51.845 52.037 0.148 0.000 0.871 361 A CB 1.313 20.364 19.000 0.085 0.000 1.092 361 A HN 0.826 nan 8.150 nan 0.000 0.364 362 P HA 0.283 nan 4.420 nan 0.000 0.271 362 P C 0.167 177.397 177.300 -0.118 0.000 1.220 362 P CA 0.276 63.095 63.100 -0.468 0.000 0.768 362 P CB 0.975 32.351 31.700 -0.540 0.000 0.848 363 V N 4.806 124.667 119.914 -0.088 0.000 2.585 363 V HA -0.013 4.105 4.120 -0.002 0.000 0.296 363 V C 0.975 177.122 176.094 0.088 0.000 1.035 363 V CA 0.558 62.873 62.300 0.024 0.000 1.084 363 V CB 0.872 32.718 31.823 0.038 0.000 0.953 363 V HN 0.317 nan 8.190 nan 0.000 0.483 364 V N 4.773 124.717 119.914 0.051 0.000 2.464 364 V HA 0.250 4.369 4.120 -0.002 0.000 0.255 364 V C -0.350 175.735 176.094 -0.015 0.000 0.946 364 V CA -0.841 61.466 62.300 0.011 0.000 0.988 364 V CB 0.644 32.460 31.823 -0.011 0.000 1.210 364 V HN 1.052 nan 8.190 nan 0.000 0.523 365 D N -1.124 119.275 120.400 -0.002 0.000 2.487 365 D HA 0.256 4.894 4.640 -0.002 0.000 0.262 365 D C 0.956 177.247 176.300 -0.016 0.000 1.130 365 D CA -0.682 53.316 54.000 -0.004 0.000 1.038 365 D CB 1.095 41.902 40.800 0.011 0.000 1.142 365 D HN 0.085 nan 8.370 nan 0.000 0.575 366 D N -1.019 119.377 120.400 -0.008 0.000 2.182 366 D HA -0.182 4.456 4.640 -0.002 0.000 0.201 366 D C 1.405 177.701 176.300 -0.007 0.000 0.986 366 D CA 1.315 55.309 54.000 -0.009 0.000 0.847 366 D CB 0.195 40.996 40.800 0.001 0.000 0.942 366 D HN 0.522 nan 8.370 nan 0.000 0.467 367 E N -0.328 119.875 120.200 0.005 0.000 2.058 367 E HA -0.199 4.150 4.350 -0.002 0.000 0.194 367 E C 2.407 179.016 176.600 0.015 0.000 0.997 367 E CA 1.737 58.146 56.400 0.015 0.000 0.801 367 E CB -0.154 29.562 29.700 0.026 0.000 0.746 367 E HN 0.425 nan 8.360 nan 0.000 0.450 368 V N -0.764 119.159 119.914 0.015 0.000 2.488 368 V HA -0.101 4.017 4.120 -0.002 0.000 0.246 368 V C 2.187 178.253 176.094 -0.046 0.000 1.046 368 V CA 1.014 63.330 62.300 0.025 0.000 1.053 368 V CB -0.678 31.192 31.823 0.078 0.000 0.679 368 V HN 0.167 nan 8.190 nan 0.000 0.458 369 L N 0.456 121.622 121.223 -0.095 0.000 2.187 369 L HA -0.141 4.197 4.340 -0.002 0.000 0.213 369 L C 2.734 179.543 176.870 -0.101 0.000 1.100 369 L CA 2.045 56.790 54.840 -0.158 0.000 0.765 369 L CB -0.580 41.404 42.059 -0.124 0.000 0.904 369 L HN 0.465 nan 8.230 nan 0.000 0.437 370 E N 0.599 120.770 120.200 -0.048 0.000 2.274 370 E HA -0.107 4.241 4.350 -0.002 0.000 0.194 370 E C 1.809 178.400 176.600 -0.015 0.000 0.996 370 E CA 1.125 57.510 56.400 -0.024 0.000 0.840 370 E CB -0.026 29.670 29.700 -0.006 0.000 0.772 370 E HN 0.282 nan 8.360 nan 0.000 0.491 371 G N -0.392 108.403 108.800 -0.009 0.000 3.277 371 G HA2 0.156 4.115 3.960 -0.002 0.000 0.243 371 G HA3 0.156 4.115 3.960 -0.002 0.000 0.243 371 G C -0.158 174.757 174.900 0.025 0.000 1.107 371 G CA -0.193 44.919 45.100 0.021 0.000 0.771 371 G HN 0.069 nan 8.290 nan 0.000 0.544 372 V N 2.154 122.035 119.914 -0.054 0.000 2.508 372 V HA 0.360 4.478 4.120 -0.002 0.000 0.281 372 V C -0.164 175.909 176.094 -0.036 0.000 1.041 372 V CA -0.236 61.996 62.300 -0.113 0.000 1.016 372 V CB 0.907 32.466 31.823 -0.440 0.000 0.984 372 V HN 0.175 nan 8.190 nan 0.000 0.478 373 R N 4.060 124.591 120.500 0.051 0.000 2.476 373 R HA 0.624 4.963 4.340 -0.002 0.000 0.305 373 R C -0.829 175.517 176.300 0.077 0.000 0.965 373 R CA -0.416 55.715 56.100 0.053 0.000 0.867 373 R CB 1.801 32.139 30.300 0.063 0.000 1.176 373 R HN 0.610 nan 8.270 nan 0.000 0.447 374 V N -1.205 118.739 119.914 0.049 0.000 3.046 374 V HA 0.479 4.598 4.120 -0.002 0.000 0.316 374 V C 0.583 176.701 176.094 0.039 0.000 1.104 374 V CA -0.786 61.550 62.300 0.060 0.000 1.006 374 V CB 2.373 34.230 31.823 0.056 0.000 1.058 374 V HN 0.484 nan 8.190 nan 0.000 0.440 375 D N 0.416 120.838 120.400 0.037 0.000 2.137 375 D HA -0.038 4.601 4.640 -0.002 0.000 0.202 375 D C 0.551 176.858 176.300 0.012 0.000 0.970 375 D CA 1.566 55.580 54.000 0.023 0.000 0.837 375 D CB 0.067 40.880 40.800 0.022 0.000 0.981 375 D HN 0.903 nan 8.370 nan 0.000 0.475 376 D N 1.629 122.035 120.400 0.010 0.000 2.434 376 D HA -0.035 4.604 4.640 -0.002 0.000 0.252 376 D C -1.235 175.058 176.300 -0.012 0.000 1.185 376 D CA -1.160 52.836 54.000 -0.006 0.000 0.886 376 D CB 1.473 42.265 40.800 -0.013 0.000 1.148 376 D HN -0.047 nan 8.370 nan 0.000 0.483 377 P HA -0.209 nan 4.420 nan 0.000 0.215 377 P C 1.148 178.427 177.300 -0.034 0.000 1.157 377 P CA 1.199 64.287 63.100 -0.020 0.000 0.868 377 P CB 0.201 31.890 31.700 -0.019 0.000 0.788 378 E N 0.026 120.193 120.200 -0.055 0.000 2.110 378 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 378 E C 2.040 178.573 176.600 -0.111 0.000 0.988 378 E CA 1.111 57.459 56.400 -0.086 0.000 0.804 378 E CB -0.092 29.539 29.700 -0.115 0.000 0.745 378 E HN -0.056 nan 8.360 nan 0.000 0.458 379 K N 0.491 120.835 120.400 -0.094 0.000 2.097 379 K HA -0.165 4.153 4.320 -0.002 0.000 0.205 379 K C 2.050 178.660 176.600 0.018 0.000 1.050 379 K CA 1.389 57.644 56.287 -0.053 0.000 0.938 379 K CB -0.169 32.337 32.500 0.011 0.000 0.718 379 K HN 0.025 nan 8.250 nan 0.000 0.442 380 Q N -0.112 119.689 119.800 0.001 0.000 2.119 380 Q HA 0.014 4.353 4.340 -0.002 0.000 0.201 380 Q C 1.662 177.664 176.000 0.003 0.000 0.972 380 Q CA 1.791 57.596 55.803 0.004 0.000 0.847 380 Q CB -0.247 28.491 28.738 0.000 0.000 0.903 380 Q HN 0.277 nan 8.270 nan 0.000 0.433 381 A N -0.138 122.678 122.820 -0.007 0.000 2.016 381 A HA 0.164 4.482 4.320 -0.002 0.000 0.217 381 A C 2.193 179.784 177.584 0.012 0.000 1.162 381 A CA 1.189 53.224 52.037 -0.003 0.000 0.662 381 A CB -0.790 18.201 19.000 -0.016 0.000 0.812 381 A HN 0.473 nan 8.150 nan 0.000 0.450 382 A N 0.144 122.973 122.820 0.014 0.000 2.015 382 A HA -0.035 4.283 4.320 -0.002 0.000 0.219 382 A C 1.988 179.651 177.584 0.130 0.000 1.163 382 A CA 1.246 53.323 52.037 0.066 0.000 0.646 382 A CB -0.583 18.438 19.000 0.035 0.000 0.806 382 A HN 0.508 nan 8.150 nan 0.000 0.448 383 I N -0.098 120.525 120.570 0.088 0.000 2.208 383 I HA -0.255 3.913 4.170 -0.002 0.000 0.245 383 I C 1.740 177.885 176.117 0.045 0.000 1.097 383 I CA 1.540 62.869 61.300 0.048 0.000 1.363 383 I CB -0.441 37.549 38.000 -0.017 0.000 1.051 383 I HN 0.294 nan 8.210 nan 0.000 0.413 384 D N 0.736 121.160 120.400 0.040 0.000 2.178 384 D HA -0.109 4.530 4.640 -0.002 0.000 0.202 384 D C 2.332 178.674 176.300 0.071 0.000 0.974 384 D CA 1.141 55.166 54.000 0.042 0.000 0.841 384 D CB 0.003 40.821 40.800 0.030 0.000 0.953 384 D HN 0.363 nan 8.370 nan 0.000 0.478 385 L N 0.374 121.651 121.223 0.090 0.000 2.156 385 L HA -0.038 4.300 4.340 -0.002 0.000 0.208 385 L C 2.491 179.464 176.870 0.172 0.000 1.095 385 L CA 0.410 55.325 54.840 0.125 0.000 0.770 385 L CB -0.112 42.020 42.059 0.122 0.000 0.914 385 L HN -0.013 nan 8.230 nan 0.000 0.439 386 I N -0.122 120.543 120.570 0.158 0.000 2.286 386 I HA -0.248 3.920 4.170 -0.002 0.000 0.245 386 I C 2.462 178.668 176.117 0.148 0.000 1.104 386 I CA 1.245 62.642 61.300 0.162 0.000 1.397 386 I CB -0.134 37.941 38.000 0.124 0.000 1.072 386 I HN 0.198 nan 8.210 nan 0.000 0.417 387 K N 0.483 120.941 120.400 0.096 0.000 2.097 387 K HA -0.248 4.071 4.320 -0.002 0.000 0.206 387 K C 2.008 178.665 176.600 0.094 0.000 1.049 387 K CA 1.537 57.868 56.287 0.073 0.000 0.933 387 K CB -0.174 32.349 32.500 0.039 0.000 0.717 387 K HN 0.335 nan 8.250 nan 0.000 0.442 388 E N 0.307 120.575 120.200 0.113 0.000 2.072 388 E HA -0.227 4.122 4.350 -0.002 0.000 0.191 388 E C 1.917 178.596 176.600 0.132 0.000 0.985 388 E CA 0.915 57.384 56.400 0.115 0.000 0.801 388 E CB -0.144 29.626 29.700 0.116 0.000 0.750 388 E HN 0.316 nan 8.360 nan 0.000 0.452 389 Y N 1.132 121.464 120.300 0.054 0.000 2.165 389 Y HA -0.222 4.327 4.550 -0.002 0.000 0.286 389 Y C 1.950 177.861 175.900 0.018 0.000 1.155 389 Y CA 1.827 59.952 58.100 0.042 0.000 1.164 389 Y CB -0.126 38.365 38.460 0.052 0.000 0.978 389 Y HN 0.048 nan 8.280 nan 0.000 0.513 390 L N -0.492 120.844 121.223 0.188 0.000 2.046 390 L HA -0.281 4.057 4.340 -0.002 0.000 0.208 390 L C 2.719 179.586 176.870 -0.004 0.000 1.077 390 L CA 1.647 56.539 54.840 0.086 0.000 0.747 390 L CB -0.602 41.506 42.059 0.082 0.000 0.896 390 L HN 0.366 nan 8.230 nan 0.000 0.432 391 M N -0.145 119.464 119.600 0.015 0.000 2.159 391 M HA -0.200 4.279 4.480 -0.002 0.000 0.263 391 M C 2.290 178.578 176.300 -0.020 0.000 1.063 391 M CA 1.870 57.178 55.300 0.014 0.000 1.110 391 M CB -0.194 32.438 32.600 0.054 0.000 1.374 391 M HN 0.170 nan 8.290 nan 0.000 0.411 392 I N 0.536 121.068 120.570 -0.062 0.000 2.286 392 I HA -0.275 3.894 4.170 -0.002 0.000 0.248 392 I C 2.401 178.395 176.117 -0.205 0.000 1.115 392 I CA 1.211 62.427 61.300 -0.141 0.000 1.392 392 I CB -1.212 36.673 38.000 -0.191 0.000 1.065 392 I HN 0.415 nan 8.210 nan 0.000 0.418 393 Q N 0.612 120.263 119.800 -0.247 0.000 2.119 393 Q HA -0.225 4.114 4.340 -0.002 0.000 0.201 393 Q C 2.159 178.072 176.000 -0.146 0.000 0.972 393 Q CA 1.303 56.975 55.803 -0.219 0.000 0.847 393 Q CB -0.217 28.400 28.738 -0.202 0.000 0.903 393 Q HN 0.366 nan 8.270 nan 0.000 0.433 394 K N 0.696 121.029 120.400 -0.112 0.000 2.009 394 K HA -0.133 4.186 4.320 -0.002 0.000 0.210 394 K C 1.999 178.520 176.600 -0.132 0.000 1.049 394 K CA 1.225 57.454 56.287 -0.096 0.000 0.929 394 K CB 0.042 32.509 32.500 -0.056 0.000 0.714 394 K HN -0.034 nan 8.250 nan 0.000 0.440 395 R N 0.342 120.767 120.500 -0.125 0.000 2.081 395 R HA -0.055 4.283 4.340 -0.002 0.000 0.235 395 R C 2.451 178.611 176.300 -0.233 0.000 1.131 395 R CA 1.566 57.570 56.100 -0.160 0.000 0.960 395 R CB -0.768 29.457 30.300 -0.125 0.000 0.856 395 R HN 0.366 nan 8.270 nan 0.000 0.436 396 I N 0.094 120.545 120.570 -0.198 0.000 2.315 396 I HA -0.167 4.001 4.170 -0.002 0.000 0.248 396 I C 2.475 178.441 176.117 -0.251 0.000 1.117 396 I CA 1.453 62.640 61.300 -0.188 0.000 1.404 396 I CB -0.647 37.293 38.000 -0.101 0.000 1.071 396 I HN 0.242 nan 8.210 nan 0.000 0.419 397 G N -0.126 108.544 108.800 -0.215 0.000 2.433 397 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.216 397 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.216 397 G C 1.550 176.277 174.900 -0.288 0.000 1.186 397 G CA 0.693 45.668 45.100 -0.207 0.000 0.779 397 G HN 0.394 nan 8.290 nan 0.000 0.543 398 Q N 0.604 120.187 119.800 -0.361 0.000 2.119 398 Q HA -0.111 4.228 4.340 -0.002 0.000 0.201 398 Q C 2.635 178.019 176.000 -1.026 0.000 0.972 398 Q CA 2.013 57.482 55.803 -0.557 0.000 0.847 398 Q CB -0.109 28.330 28.738 -0.497 0.000 0.903 398 Q HN 0.605 nan 8.270 nan 0.000 0.433 399 S N -1.801 113.348 115.700 -0.918 0.000 2.470 399 S HA 0.284 4.753 4.470 -0.002 0.000 0.222 399 S C 1.399 175.755 174.600 -0.407 0.000 1.024 399 S CA 0.279 57.963 58.200 -0.860 0.000 0.931 399 S CB 0.826 63.723 63.200 -0.505 0.000 0.791 399 S HN 0.399 nan 8.310 nan 0.000 0.513 400 A N 0.889 123.437 122.820 -0.453 0.000 2.010 400 A HA 0.436 4.755 4.320 -0.002 0.000 0.193 400 A C 1.603 178.940 177.584 -0.411 0.000 1.659 400 A CA 0.140 51.868 52.037 -0.514 0.000 1.175 400 A CB 0.131 18.462 19.000 -1.115 0.000 1.301 400 A HN 0.359 nan 8.150 nan 0.000 0.448 401 E N 0.437 120.437 120.200 -0.333 0.000 2.389 401 E HA 0.183 4.532 4.350 -0.002 0.000 0.199 401 E C 1.156 177.679 176.600 -0.129 0.000 0.978 401 E CA 0.159 56.443 56.400 -0.193 0.000 0.912 401 E CB 0.295 29.918 29.700 -0.128 0.000 0.907 401 E HN 0.469 nan 8.360 nan 0.000 0.494 402 G N 1.320 110.034 108.800 -0.142 0.000 2.664 402 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.242 402 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.242 402 G C -0.115 174.758 174.900 -0.044 0.000 1.225 402 G CA -0.223 44.825 45.100 -0.088 0.000 0.849 402 G HN -0.096 nan 8.290 nan 0.000 0.581 403 D N -0.395 120.004 120.400 -0.002 0.000 2.218 403 D HA -0.036 4.602 4.640 -0.002 0.000 0.204 403 D C 1.685 178.046 176.300 0.102 0.000 0.976 403 D CA 0.998 55.016 54.000 0.030 0.000 0.853 403 D CB 0.282 41.113 40.800 0.053 0.000 0.939 403 D HN 0.231 nan 8.370 nan 0.000 0.481 404 K N 0.405 120.900 120.400 0.159 0.000 2.576 404 K HA 0.405 4.723 4.320 -0.002 0.000 0.209 404 K C -0.051 176.710 176.600 0.268 0.000 1.049 404 K CA -0.258 56.251 56.287 0.371 0.000 1.140 404 K CB 0.745 33.408 32.500 0.272 0.000 0.871 404 K HN 0.004 nan 8.250 nan 0.000 0.479 405 A N 0.613 123.487 122.820 0.090 0.000 2.466 405 A HA 0.041 4.360 4.320 -0.002 0.000 0.238 405 A C 0.749 178.416 177.584 0.139 0.000 1.074 405 A CA -0.217 51.780 52.037 -0.067 0.000 0.774 405 A CB 0.062 18.968 19.000 -0.157 0.000 1.015 405 A HN 0.319 nan 8.150 nan 0.000 0.498 406 W N 1.060 122.387 121.300 0.046 0.000 2.358 406 W HA -0.132 4.526 4.660 -0.002 0.000 0.303 406 W C 1.724 178.189 176.519 -0.089 0.000 1.208 406 W CA 0.774 58.075 57.345 -0.075 0.000 1.274 406 W CB -1.271 28.072 29.460 -0.195 0.000 1.138 406 W HN 0.624 nan 8.180 nan 0.000 0.515 407 L N 0.066 121.413 121.223 0.207 0.000 2.362 407 L HA -0.125 4.214 4.340 -0.002 0.000 0.219 407 L C 2.434 179.343 176.870 0.064 0.000 1.134 407 L CA 1.071 56.002 54.840 0.152 0.000 0.807 407 L CB -0.568 41.541 42.059 0.083 0.000 0.927 407 L HN -0.042 nan 8.230 nan 0.000 0.447 408 R N -1.816 118.700 120.500 0.028 0.000 2.210 408 R HA -0.040 4.298 4.340 -0.002 0.000 0.203 408 R C 1.541 177.740 176.300 -0.168 0.000 1.010 408 R CA 0.680 56.726 56.100 -0.090 0.000 1.008 408 R CB 0.112 30.314 30.300 -0.163 0.000 0.923 408 R HN 0.267 nan 8.270 nan 0.000 0.469 409 Y N 0.433 120.756 120.300 0.039 0.000 2.497 409 Y HA 0.048 4.597 4.550 -0.002 0.000 0.265 409 Y C 0.914 176.833 175.900 0.032 0.000 1.111 409 Y CA -0.522 57.607 58.100 0.048 0.000 1.288 409 Y CB 0.474 38.981 38.460 0.079 0.000 1.082 409 Y HN -0.207 nan 8.280 nan 0.000 0.536 410 V N 0.446 120.435 119.914 0.124 0.000 2.617 410 V HA 0.414 4.533 4.120 -0.002 0.000 0.304 410 V C 0.374 176.540 176.094 0.121 0.000 1.040 410 V CA -0.893 61.465 62.300 0.097 0.000 1.149 410 V CB -0.072 31.835 31.823 0.139 0.000 0.914 410 V HN 0.169 nan 8.190 nan 0.000 0.487 411 A N 3.814 126.724 122.820 0.150 0.000 2.242 411 A HA 0.581 4.900 4.320 -0.002 0.000 0.304 411 A C 1.079 178.716 177.584 0.089 0.000 1.100 411 A CA -0.470 51.648 52.037 0.135 0.000 0.860 411 A CB 0.514 19.643 19.000 0.215 0.000 1.168 411 A HN 0.884 nan 8.150 nan 0.000 0.503 412 E N 0.312 120.547 120.200 0.058 0.000 2.265 412 E HA -0.165 4.183 4.350 -0.002 0.000 0.196 412 E C 0.681 177.296 176.600 0.025 0.000 0.996 412 E CA 1.473 57.892 56.400 0.032 0.000 0.832 412 E CB -0.209 29.500 29.700 0.014 0.000 0.756 412 E HN 0.761 nan 8.360 nan 0.000 0.491 413 D N -0.911 119.515 120.400 0.044 0.000 2.336 413 D HA 0.053 4.692 4.640 -0.002 0.000 0.229 413 D C 1.094 177.388 176.300 -0.010 0.000 1.061 413 D CA 0.660 54.667 54.000 0.012 0.000 0.875 413 D CB -0.302 40.515 40.800 0.029 0.000 0.904 413 D HN 0.101 nan 8.370 nan 0.000 0.525 414 G N -0.020 108.793 108.800 0.023 0.000 2.176 414 G HA2 -0.303 3.655 3.960 -0.002 0.000 0.252 414 G HA3 -0.303 3.655 3.960 -0.002 0.000 0.252 414 G C -0.091 174.832 174.900 0.038 0.000 1.024 414 G CA 0.259 45.373 45.100 0.024 0.000 0.755 414 G HN 0.508 nan 8.290 nan 0.000 0.507 415 K N -0.890 119.535 120.400 0.041 0.000 2.443 415 K HA 0.718 5.036 4.320 -0.002 0.000 0.251 415 K C -0.281 176.299 176.600 -0.032 0.000 0.972 415 K CA -1.086 55.190 56.287 -0.018 0.000 0.833 415 K CB 2.190 34.592 32.500 -0.162 0.000 1.317 415 K HN 0.103 nan 8.250 nan 0.000 0.441 416 I N 2.588 123.114 120.570 -0.073 0.000 2.336 416 I HA 0.172 4.341 4.170 -0.002 0.000 0.292 416 I C -0.154 175.915 176.117 -0.080 0.000 0.991 416 I CA -0.621 60.657 61.300 -0.037 0.000 1.227 416 I CB 0.808 38.743 38.000 -0.109 0.000 1.366 416 I HN 0.428 nan 8.210 nan 0.000 0.466 417 H N 5.877 125.020 119.070 0.121 0.000 2.702 417 H HA 0.231 4.785 4.556 -0.002 0.000 0.252 417 H C 0.484 175.865 175.328 0.088 0.000 1.493 417 H CA -0.328 55.791 56.048 0.118 0.000 1.273 417 H CB 0.780 30.605 29.762 0.104 0.000 1.537 417 H HN 0.762 nan 8.280 nan 0.000 0.547 418 G N 1.327 110.210 108.800 0.138 0.000 2.442 418 G HA2 0.085 4.043 3.960 -0.002 0.000 0.249 418 G HA3 0.085 4.043 3.960 -0.002 0.000 0.249 418 G C 0.290 175.268 174.900 0.130 0.000 1.263 418 G CA -0.346 44.810 45.100 0.093 0.000 0.846 418 G HN 0.429 nan 8.290 nan 0.000 0.555 419 S N -0.443 115.335 115.700 0.131 0.000 2.601 419 S HA 0.531 4.999 4.470 -0.002 0.000 0.271 419 S C -0.189 174.451 174.600 0.067 0.000 1.305 419 S CA -0.472 57.812 58.200 0.139 0.000 1.022 419 S CB 0.872 64.225 63.200 0.256 0.000 0.940 419 S HN 0.535 nan 8.310 nan 0.000 0.525 420 V N 4.893 124.825 119.914 0.029 0.000 2.668 420 V HA 0.373 4.491 4.120 -0.002 0.000 0.304 420 V C -0.579 175.489 176.094 -0.043 0.000 1.071 420 V CA -1.073 61.174 62.300 -0.088 0.000 0.894 420 V CB 1.978 33.750 31.823 -0.084 0.000 1.008 420 V HN 0.900 nan 8.190 nan 0.000 0.425 421 N N 6.224 124.876 118.700 -0.079 0.000 2.500 421 N HA 0.334 5.072 4.740 -0.002 0.000 0.236 421 N C -1.816 173.691 175.510 -0.006 0.000 1.022 421 N CA -2.059 50.982 53.050 -0.015 0.000 0.935 421 N CB 2.102 40.585 38.487 -0.006 0.000 1.147 421 N HN 0.237 nan 8.380 nan 0.000 0.512 422 P HA -0.115 nan 4.420 nan 0.000 0.217 422 P C -0.115 177.279 177.300 0.157 0.000 1.148 422 P CA 1.387 64.584 63.100 0.161 0.000 0.834 422 P CB 0.286 32.076 31.700 0.151 0.000 0.783 423 N N -2.016 116.740 118.700 0.094 0.000 2.642 423 N HA 0.238 4.977 4.740 -0.002 0.000 0.308 423 N C 1.050 176.601 175.510 0.067 0.000 1.914 423 N CA -0.128 52.980 53.050 0.096 0.000 0.893 423 N CB -0.393 38.146 38.487 0.087 0.000 1.322 423 N HN -0.159 nan 8.380 nan 0.000 0.490 424 G N -0.895 107.933 108.800 0.047 0.000 2.650 424 G HA2 0.269 4.228 3.960 -0.002 0.000 0.214 424 G HA3 0.269 4.228 3.960 -0.002 0.000 0.214 424 G C 0.396 175.326 174.900 0.049 0.000 1.136 424 G CA 0.389 45.512 45.100 0.038 0.000 0.789 424 G HN 0.452 nan 8.290 nan 0.000 0.536 425 A N -0.574 122.284 122.820 0.063 0.000 2.355 425 A HA 0.604 4.923 4.320 -0.002 0.000 0.324 425 A C 1.324 178.956 177.584 0.080 0.000 1.117 425 A CA -0.278 51.799 52.037 0.067 0.000 0.785 425 A CB 1.595 20.636 19.000 0.067 0.000 1.254 425 A HN 0.302 nan 8.150 nan 0.000 0.453 426 V N 1.061 121.024 119.914 0.081 0.000 2.317 426 V HA -0.274 3.844 4.120 -0.002 0.000 0.251 426 V C 2.536 178.693 176.094 0.105 0.000 1.065 426 V CA 2.867 65.226 62.300 0.097 0.000 1.049 426 V CB -1.943 29.951 31.823 0.119 0.000 0.651 426 V HN 1.074 nan 8.190 nan 0.000 0.450 427 T N -2.203 112.410 114.554 0.099 0.000 3.051 427 T HA 0.248 4.597 4.350 -0.002 0.000 0.269 427 T C 1.593 176.369 174.700 0.127 0.000 1.127 427 T CA 1.190 63.353 62.100 0.105 0.000 1.107 427 T CB 0.168 69.091 68.868 0.091 0.000 0.898 427 T HN 1.319 nan 8.240 nan 0.000 0.517 428 G N 0.919 109.798 108.800 0.131 0.000 2.179 428 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.220 428 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.220 428 G C 0.162 175.176 174.900 0.191 0.000 0.990 428 G CA -0.258 44.940 45.100 0.163 0.000 0.646 428 G HN 0.650 nan 8.290 nan 0.000 0.517 429 R N 0.653 121.246 120.500 0.155 0.000 2.641 429 R HA 0.604 4.943 4.340 -0.002 0.000 0.269 429 R C 0.826 177.183 176.300 0.095 0.000 1.074 429 R CA 0.470 56.661 56.100 0.153 0.000 1.133 429 R CB 0.692 31.069 30.300 0.128 0.000 1.029 429 R HN 0.487 nan 8.270 nan 0.000 0.488 430 A N 1.190 123.994 122.820 -0.027 0.000 2.302 430 A HA 0.402 4.721 4.320 -0.002 0.000 0.285 430 A C -0.156 177.342 177.584 -0.144 0.000 1.105 430 A CA -0.463 51.486 52.037 -0.146 0.000 0.816 430 A CB 0.885 19.648 19.000 -0.395 0.000 1.067 430 A HN 0.747 nan 8.150 nan 0.000 0.489 431 T N -0.596 113.849 114.554 -0.182 0.000 2.885 431 T HA 0.696 5.044 4.350 -0.002 0.000 0.285 431 T C -0.737 173.795 174.700 -0.280 0.000 1.019 431 T CA -0.567 61.477 62.100 -0.094 0.000 1.010 431 T CB 1.000 69.850 68.868 -0.030 0.000 1.022 431 T HN 0.639 nan 8.240 nan 0.000 0.466 432 H N 0.194 119.210 119.070 -0.091 0.000 2.572 432 H HA 0.866 5.421 4.556 -0.002 0.000 0.359 432 H C -0.093 175.145 175.328 -0.149 0.000 1.134 432 H CA -0.367 55.624 56.048 -0.095 0.000 1.187 432 H CB 1.876 31.581 29.762 -0.096 0.000 1.597 432 H HN 1.156 nan 8.280 nan 0.000 0.524 433 A N 0.955 123.725 122.820 -0.084 0.000 2.601 433 A HA 0.533 4.852 4.320 -0.002 0.000 0.291 433 A C -1.506 175.902 177.584 -0.293 0.000 1.075 433 A CA -0.939 50.881 52.037 -0.362 0.000 0.671 433 A CB 0.409 18.959 19.000 -0.750 0.000 1.277 433 A HN 0.609 nan 8.150 nan 0.000 0.417 434 F N -1.813 118.071 119.950 -0.111 0.000 2.983 434 F HA -0.128 4.398 4.527 -0.002 0.000 0.288 434 F C -2.165 173.193 175.800 -0.737 0.000 0.980 434 F CA 0.844 58.645 58.000 -0.332 0.000 0.965 434 F CB -2.151 36.771 39.000 -0.130 0.000 0.967 434 F HN 0.434 nan 8.300 nan 0.000 0.800 435 P HA 0.208 nan 4.420 nan 0.000 0.285 435 P C -0.269 176.986 177.300 -0.074 0.000 1.285 435 P CA -0.572 62.411 63.100 -0.194 0.000 0.854 435 P CB 1.134 32.838 31.700 0.006 0.000 1.180 436 N N 1.142 119.822 118.700 -0.033 0.000 2.448 436 N HA 0.065 4.804 4.740 -0.002 0.000 0.250 436 N C 0.933 176.446 175.510 0.004 0.000 1.136 436 N CA 0.041 53.084 53.050 -0.013 0.000 0.953 436 N CB -0.720 37.748 38.487 -0.033 0.000 1.251 436 N HN 0.314 nan 8.380 nan 0.000 0.502 437 L N 1.707 122.919 121.223 -0.018 0.000 2.622 437 L HA 0.008 4.346 4.340 -0.002 0.000 0.233 437 L C 1.633 178.428 176.870 -0.125 0.000 1.156 437 L CA 0.413 55.203 54.840 -0.083 0.000 0.866 437 L CB -0.228 41.823 42.059 -0.013 0.000 0.980 437 L HN 0.502 nan 8.230 nan 0.000 0.448 438 A N 0.049 122.725 122.820 -0.241 0.000 2.275 438 A HA -0.022 4.297 4.320 -0.002 0.000 0.212 438 A C 1.495 178.987 177.584 -0.152 0.000 1.201 438 A CA 0.040 51.890 52.037 -0.312 0.000 0.843 438 A CB -0.117 18.532 19.000 -0.584 0.000 0.873 438 A HN 0.594 nan 8.150 nan 0.000 0.492 439 Q N -0.024 119.715 119.800 -0.101 0.000 2.115 439 Q HA 0.338 4.677 4.340 -0.002 0.000 0.249 439 Q C -0.603 175.379 176.000 -0.029 0.000 0.830 439 Q CA -0.548 55.221 55.803 -0.057 0.000 1.104 439 Q CB 0.136 28.861 28.738 -0.022 0.000 1.207 439 Q HN 0.273 nan 8.270 nan 0.000 0.464 440 I N 2.773 123.272 120.570 -0.117 0.000 2.588 440 I HA 0.229 4.398 4.170 -0.002 0.000 0.283 440 I C -1.975 174.079 176.117 -0.107 0.000 1.119 440 I CA -2.297 58.954 61.300 -0.081 0.000 1.419 440 I CB -0.062 37.651 38.000 -0.480 0.000 1.394 440 I HN 0.086 nan 8.210 nan 0.000 0.562 441 P HA 0.047 nan 4.420 nan 0.000 0.264 441 P C 0.318 177.565 177.300 -0.088 0.000 1.183 441 P CA 0.071 63.170 63.100 -0.001 0.000 0.763 441 P CB 0.425 32.178 31.700 0.089 0.000 0.807 442 G N 1.425 110.164 108.800 -0.102 0.000 2.539 442 G HA2 0.248 4.207 3.960 -0.002 0.000 0.258 442 G HA3 0.248 4.207 3.960 -0.002 0.000 0.258 442 G C 1.302 176.135 174.900 -0.112 0.000 1.202 442 G CA -0.437 44.575 45.100 -0.148 0.000 0.851 442 G HN 0.436 nan 8.290 nan 0.000 0.556 443 V N -0.335 119.494 119.914 -0.142 0.000 2.568 443 V HA -0.141 3.977 4.120 -0.002 0.000 0.253 443 V C 2.204 178.255 176.094 -0.071 0.000 1.072 443 V CA 1.653 63.899 62.300 -0.090 0.000 1.084 443 V CB -0.599 31.168 31.823 -0.094 0.000 0.676 443 V HN 0.669 nan 8.190 nan 0.000 0.469 444 R N 1.669 122.119 120.500 -0.082 0.000 2.307 444 R HA 0.154 4.493 4.340 -0.002 0.000 0.199 444 R C 1.152 177.421 176.300 -0.051 0.000 1.000 444 R CA 0.745 56.808 56.100 -0.063 0.000 1.023 444 R CB -0.081 30.182 30.300 -0.061 0.000 0.908 444 R HN 0.791 nan 8.270 nan 0.000 0.473 445 S N 0.599 116.272 115.700 -0.045 0.000 2.690 445 S HA 0.443 4.912 4.470 -0.002 0.000 0.291 445 S C -2.680 171.898 174.600 -0.035 0.000 1.138 445 S CA -1.836 56.345 58.200 -0.031 0.000 1.013 445 S CB 1.985 65.177 63.200 -0.013 0.000 1.053 445 S HN -0.223 nan 8.310 nan 0.000 0.539 446 P HA 0.133 nan 4.420 nan 0.000 0.261 446 P C -0.673 176.625 177.300 -0.002 0.000 1.183 446 P CA 0.633 63.651 63.100 -0.136 0.000 0.761 446 P CB -0.412 31.238 31.700 -0.084 0.000 0.785 447 Y N 1.018 121.331 120.300 0.022 0.000 4.916 447 Y HA -0.265 4.284 4.550 -0.002 0.000 0.247 447 Y C 1.970 177.905 175.900 0.058 0.000 0.962 447 Y CA 1.334 59.459 58.100 0.042 0.000 1.933 447 Y CB -2.513 35.975 38.460 0.046 0.000 1.451 447 Y HN 0.523 nan 8.280 nan 0.000 0.539 448 G N -0.037 108.837 108.800 0.122 0.000 2.422 448 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.218 448 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.218 448 G C 1.416 176.359 174.900 0.072 0.000 1.146 448 G CA 1.112 46.261 45.100 0.083 0.000 0.769 448 G HN 0.568 nan 8.290 nan 0.000 0.547 449 E N 0.104 120.337 120.200 0.056 0.000 2.077 449 E HA -0.154 4.194 4.350 -0.002 0.000 0.193 449 E C 2.657 179.319 176.600 0.103 0.000 0.989 449 E CA 1.021 57.457 56.400 0.059 0.000 0.800 449 E CB -0.102 29.622 29.700 0.039 0.000 0.746 449 E HN 0.554 nan 8.360 nan 0.000 0.452 450 Q N -0.274 119.607 119.800 0.135 0.000 2.119 450 Q HA -0.128 4.210 4.340 -0.002 0.000 0.201 450 Q C 2.421 178.527 176.000 0.175 0.000 0.972 450 Q CA 1.227 57.120 55.803 0.149 0.000 0.847 450 Q CB -0.046 28.799 28.738 0.179 0.000 0.903 450 Q HN 0.330 nan 8.270 nan 0.000 0.433 451 C N -0.055 119.387 119.300 0.235 0.000 2.462 451 C HA -0.081 4.377 4.460 -0.002 0.000 0.278 451 C C 2.593 177.744 174.990 0.268 0.000 1.253 451 C CA 0.579 59.797 59.018 0.334 0.000 1.713 451 C CB -0.751 27.253 27.740 0.439 0.000 2.049 451 C HN 0.426 nan 8.230 nan 0.000 0.477 452 R N 1.231 121.831 120.500 0.167 0.000 2.096 452 R HA -0.040 4.299 4.340 -0.002 0.000 0.235 452 R C 2.152 178.623 176.300 0.285 0.000 1.127 452 R CA 1.629 57.812 56.100 0.138 0.000 0.968 452 R CB -0.580 29.714 30.300 -0.011 0.000 0.861 452 R HN 0.526 nan 8.270 nan 0.000 0.440 453 A N -0.327 122.622 122.820 0.216 0.000 2.067 453 A HA 0.024 4.342 4.320 -0.002 0.000 0.219 453 A C 2.101 179.843 177.584 0.263 0.000 1.158 453 A CA 1.388 53.561 52.037 0.226 0.000 0.661 453 A CB -0.544 18.549 19.000 0.156 0.000 0.801 453 A HN 0.397 nan 8.150 nan 0.000 0.452 454 A N -1.371 121.518 122.820 0.115 0.000 2.119 454 A HA 0.341 4.660 4.320 -0.002 0.000 0.216 454 A C 0.310 177.712 177.584 -0.304 0.000 1.152 454 A CA 0.195 52.081 52.037 -0.252 0.000 0.708 454 A CB -0.306 18.389 19.000 -0.508 0.000 0.805 454 A HN 0.343 nan 8.150 nan 0.000 0.460 455 F N -0.285 119.709 119.950 0.074 0.000 2.415 455 F HA 0.589 5.114 4.527 -0.002 0.000 0.348 455 F C 0.734 176.715 175.800 0.301 0.000 1.119 455 F CA 0.251 58.250 58.000 -0.003 0.000 1.069 455 F CB 1.825 40.551 39.000 -0.456 0.000 1.124 455 F HN 0.188 nan 8.300 nan 0.000 0.472 456 G N 0.870 110.071 108.800 0.669 0.000 2.384 456 G HA2 0.420 4.378 3.960 -0.002 0.000 0.300 456 G HA3 0.420 4.378 3.960 -0.002 0.000 0.300 456 G C -0.075 175.014 174.900 0.314 0.000 1.582 456 G CA -0.277 45.127 45.100 0.507 0.000 0.875 456 G HN 0.767 nan 8.290 nan 0.000 0.628 457 A N 0.206 123.185 122.820 0.264 0.000 2.076 457 A HA 0.013 4.331 4.320 -0.002 0.000 0.220 457 A C 1.989 179.687 177.584 0.190 0.000 1.160 457 A CA 2.237 54.439 52.037 0.276 0.000 0.653 457 A CB -0.502 18.721 19.000 0.370 0.000 0.801 457 A HN 1.106 nan 8.150 nan 0.000 0.455 458 E N -0.859 119.345 120.200 0.006 0.000 2.265 458 E HA -0.234 4.115 4.350 -0.002 0.000 0.196 458 E C 1.152 177.678 176.600 -0.123 0.000 0.996 458 E CA 1.284 57.636 56.400 -0.080 0.000 0.832 458 E CB -0.527 29.054 29.700 -0.198 0.000 0.756 458 E HN 0.730 nan 8.360 nan 0.000 0.491 459 H N -0.514 118.602 119.070 0.076 0.000 2.547 459 H HA 0.081 4.635 4.556 -0.002 0.000 0.266 459 H C -0.157 175.141 175.328 -0.051 0.000 0.988 459 H CA 0.679 56.724 56.048 -0.005 0.000 1.147 459 H CB -0.352 29.392 29.762 -0.031 0.000 1.365 459 H HN 0.340 nan 8.280 nan 0.000 0.589 460 H N 0.621 119.638 119.070 -0.088 0.000 2.504 460 H HA 0.373 4.927 4.556 -0.002 0.000 0.322 460 H C -0.677 174.533 175.328 -0.197 0.000 1.055 460 H CA -0.542 55.319 56.048 -0.313 0.000 1.231 460 H CB 0.333 29.669 29.762 -0.709 0.000 1.417 460 H HN -0.032 nan 8.280 nan 0.000 0.472 461 L N 4.374 125.163 121.223 -0.724 0.000 2.289 461 L HA 0.216 4.554 4.340 -0.002 0.000 0.285 461 L C 0.267 176.801 176.870 -0.561 0.000 1.049 461 L CA -0.926 53.666 54.840 -0.414 0.000 0.804 461 L CB 1.099 43.018 42.059 -0.234 0.000 1.195 461 L HN 0.734 nan 8.230 nan 0.000 0.428 462 D N 2.062 122.423 120.400 -0.065 0.000 2.525 462 D HA 0.002 4.640 4.640 -0.002 0.000 0.235 462 D C 1.319 177.643 176.300 0.040 0.000 1.137 462 D CA 0.857 54.972 54.000 0.192 0.000 0.868 462 D CB 1.509 42.558 40.800 0.416 0.000 1.180 462 D HN 0.655 nan 8.370 nan 0.000 0.465 463 G N 3.530 112.389 108.800 0.099 0.000 2.432 463 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.219 463 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.219 463 G C 1.278 176.216 174.900 0.064 0.000 1.135 463 G CA 0.550 45.684 45.100 0.056 0.000 0.767 463 G HN 0.545 nan 8.290 nan 0.000 0.550 464 I N 1.148 121.779 120.570 0.103 0.000 2.512 464 I HA -0.002 4.167 4.170 -0.002 0.000 0.247 464 I C 2.896 179.048 176.117 0.059 0.000 1.094 464 I CA 1.899 63.245 61.300 0.076 0.000 1.427 464 I CB -1.366 36.686 38.000 0.086 0.000 1.149 464 I HN 0.307 nan 8.210 nan 0.000 0.438 465 T N -1.832 112.767 114.554 0.076 0.000 3.065 465 T HA 0.243 4.591 4.350 -0.002 0.000 0.252 465 T C 1.605 176.330 174.700 0.043 0.000 1.099 465 T CA 0.671 62.804 62.100 0.055 0.000 1.063 465 T CB 0.202 69.106 68.868 0.061 0.000 0.948 465 T HN 0.506 nan 8.240 nan 0.000 0.506 466 G N 1.741 110.563 108.800 0.037 0.000 2.168 466 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.263 466 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.263 466 G C 0.020 174.934 174.900 0.023 0.000 0.977 466 G CA 0.169 45.271 45.100 0.004 0.000 0.659 466 G HN 0.595 nan 8.290 nan 0.000 0.533 467 K N 1.376 121.817 120.400 0.069 0.000 2.205 467 K HA 0.412 4.730 4.320 -0.002 0.000 0.279 467 K C -1.984 174.709 176.600 0.155 0.000 1.027 467 K CA -2.184 54.154 56.287 0.086 0.000 0.932 467 K CB 1.226 33.774 32.500 0.080 0.000 1.032 467 K HN 0.184 nan 8.250 nan 0.000 0.466 468 P HA 0.013 nan 4.420 nan 0.000 0.269 468 P C -0.438 177.074 177.300 0.354 0.000 1.217 468 P CA -0.128 63.081 63.100 0.182 0.000 0.783 468 P CB 0.471 32.228 31.700 0.095 0.000 0.898 469 W N 0.581 121.943 121.300 0.104 0.000 2.298 469 W HA 0.393 5.052 4.660 -0.002 0.000 0.358 469 W C -0.192 176.386 176.519 0.098 0.000 1.241 469 W CA -0.225 57.213 57.345 0.155 0.000 1.385 469 W CB 0.399 30.039 29.460 0.301 0.000 1.225 469 W HN 0.024 nan 8.180 nan 0.000 0.654 470 V N 0.785 120.847 119.914 0.247 0.000 2.881 470 V HA 0.392 4.511 4.120 -0.002 0.000 0.316 470 V C -0.536 175.653 176.094 0.158 0.000 1.070 470 V CA -1.156 61.227 62.300 0.139 0.000 0.976 470 V CB 1.589 33.437 31.823 0.041 0.000 1.038 470 V HN 0.428 nan 8.190 nan 0.000 0.446 471 Q N 1.435 121.303 119.800 0.113 0.000 2.312 471 Q HA 0.760 5.099 4.340 -0.002 0.000 0.263 471 Q C -0.909 175.115 176.000 0.040 0.000 0.995 471 Q CA -0.686 55.170 55.803 0.088 0.000 0.853 471 Q CB 1.946 30.747 28.738 0.105 0.000 1.300 471 Q HN 0.942 nan 8.270 nan 0.000 0.448 472 A N 2.475 125.292 122.820 -0.007 0.000 2.291 472 A HA 0.713 5.032 4.320 -0.002 0.000 0.311 472 A C -0.264 177.295 177.584 -0.041 0.000 1.224 472 A CA -0.296 51.727 52.037 -0.024 0.000 0.821 472 A CB 1.095 20.058 19.000 -0.062 0.000 1.172 472 A HN 0.735 nan 8.150 nan 0.000 0.494 473 G N 1.844 110.657 108.800 0.020 0.000 2.319 473 G HA2 0.566 4.525 3.960 -0.002 0.000 0.308 473 G HA3 0.566 4.525 3.960 -0.002 0.000 0.308 473 G C -0.589 174.353 174.900 0.071 0.000 1.117 473 G CA -0.327 44.801 45.100 0.046 0.000 0.903 473 G HN 0.664 nan 8.290 nan 0.000 0.436 474 I N 1.953 122.567 120.570 0.075 0.000 2.436 474 I HA 0.331 4.499 4.170 -0.002 0.000 0.289 474 I C -1.158 175.140 176.117 0.302 0.000 1.010 474 I CA -0.775 60.630 61.300 0.176 0.000 1.098 474 I CB 2.445 40.546 38.000 0.168 0.000 1.266 474 I HN 0.264 nan 8.210 nan 0.000 0.434 475 D N 4.338 124.885 120.400 0.246 0.000 2.481 475 D HA 0.635 5.274 4.640 -0.002 0.000 0.244 475 D C -0.631 175.689 176.300 0.034 0.000 1.057 475 D CA -0.273 53.842 54.000 0.191 0.000 0.848 475 D CB 2.303 43.192 40.800 0.147 0.000 1.388 475 D HN 0.605 nan 8.370 nan 0.000 0.475 476 A N 1.946 124.707 122.820 -0.099 0.000 2.366 476 A HA 0.482 4.801 4.320 -0.002 0.000 0.272 476 A C 0.065 177.603 177.584 -0.077 0.000 1.135 476 A CA -0.322 51.546 52.037 -0.282 0.000 0.804 476 A CB 0.230 19.003 19.000 -0.380 0.000 1.064 476 A HN 0.444 nan 8.150 nan 0.000 0.499 477 S N 1.539 117.202 115.700 -0.062 0.000 2.505 477 S HA 0.432 4.901 4.470 -0.002 0.000 0.276 477 S C 1.206 175.828 174.600 0.037 0.000 1.274 477 S CA 0.350 58.556 58.200 0.010 0.000 1.053 477 S CB 0.846 64.054 63.200 0.013 0.000 0.919 477 S HN 1.956 nan 8.310 nan 0.000 0.490 478 G N 2.428 111.272 108.800 0.074 0.000 2.424 478 G HA2 -0.255 3.703 3.960 -0.002 0.000 0.290 478 G HA3 -0.255 3.703 3.960 -0.002 0.000 0.290 478 G C 0.675 175.640 174.900 0.109 0.000 0.912 478 G CA 0.337 45.499 45.100 0.104 0.000 1.142 478 G HN 0.693 nan 8.290 nan 0.000 0.501 479 L N -0.119 121.160 121.223 0.094 0.000 2.012 479 L HA -0.075 4.264 4.340 -0.002 0.000 0.210 479 L C 2.596 179.569 176.870 0.171 0.000 1.073 479 L CA 2.753 57.657 54.840 0.106 0.000 0.748 479 L CB -0.211 41.894 42.059 0.077 0.000 0.891 479 L HN 0.437 nan 8.230 nan 0.000 0.431 480 E N -0.451 119.853 120.200 0.172 0.000 2.077 480 E HA -0.221 4.128 4.350 -0.002 0.000 0.193 480 E C 2.386 179.127 176.600 0.235 0.000 0.989 480 E CA 1.380 57.901 56.400 0.202 0.000 0.800 480 E CB -0.465 29.340 29.700 0.175 0.000 0.746 480 E HN 0.518 nan 8.360 nan 0.000 0.452 481 L N 0.593 121.950 121.223 0.223 0.000 2.083 481 L HA -0.157 4.182 4.340 -0.002 0.000 0.209 481 L C 2.633 179.664 176.870 0.268 0.000 1.083 481 L CA 1.057 56.051 54.840 0.257 0.000 0.752 481 L CB -0.192 41.996 42.059 0.215 0.000 0.899 481 L HN 0.079 nan 8.230 nan 0.000 0.433 482 R N -1.255 119.384 120.500 0.232 0.000 2.092 482 R HA -0.124 4.214 4.340 -0.002 0.000 0.231 482 R C 2.323 178.795 176.300 0.288 0.000 1.119 482 R CA 1.437 57.681 56.100 0.241 0.000 0.970 482 R CB -0.619 29.818 30.300 0.228 0.000 0.864 482 R HN 0.418 nan 8.270 nan 0.000 0.440 483 C N 0.771 120.281 119.300 0.351 0.000 2.446 483 C HA -0.048 4.410 4.460 -0.002 0.000 0.277 483 C C 2.568 177.783 174.990 0.375 0.000 1.275 483 C CA 0.133 59.393 59.018 0.403 0.000 1.727 483 C CB -0.858 27.176 27.740 0.489 0.000 2.010 483 C HN 0.419 nan 8.230 nan 0.000 0.486 484 L N 2.127 123.564 121.223 0.356 0.000 2.046 484 L HA -0.031 4.307 4.340 -0.002 0.000 0.208 484 L C 2.568 179.584 176.870 0.243 0.000 1.077 484 L CA 2.374 57.409 54.840 0.325 0.000 0.747 484 L CB -1.043 41.184 42.059 0.279 0.000 0.896 484 L HN 0.260 nan 8.230 nan 0.000 0.432 485 A N -1.179 121.801 122.820 0.266 0.000 1.908 485 A HA -0.322 3.997 4.320 -0.002 0.000 0.218 485 A C 2.290 179.918 177.584 0.073 0.000 1.181 485 A CA 1.873 54.066 52.037 0.261 0.000 0.627 485 A CB -1.133 18.046 19.000 0.298 0.000 0.818 485 A HN 0.767 nan 8.150 nan 0.000 0.445 486 H N -1.343 117.617 119.070 -0.183 0.000 2.290 486 H HA -0.156 4.399 4.556 -0.002 0.000 0.298 486 H C 1.541 176.624 175.328 -0.407 0.000 1.087 486 H CA 2.307 58.038 56.048 -0.529 0.000 1.291 486 H CB -0.452 28.524 29.762 -1.310 0.000 1.369 486 H HN 0.415 nan 8.280 nan 0.000 0.492 487 F N 0.637 120.443 119.950 -0.239 0.000 2.293 487 F HA -0.119 4.406 4.527 -0.003 0.000 0.300 487 F C 2.456 178.223 175.800 -0.056 0.000 1.086 487 F CA 1.288 59.170 58.000 -0.195 0.000 1.375 487 F CB -0.356 38.647 39.000 0.005 0.000 1.045 487 F HN 0.372 nan 8.300 nan 0.000 0.516 488 M N -1.628 118.062 119.600 0.150 0.000 2.556 488 M HA 0.351 4.830 4.480 -0.002 0.000 0.245 488 M C 1.959 178.332 176.300 0.122 0.000 1.128 488 M CA 0.943 56.375 55.300 0.220 0.000 1.069 488 M CB -0.798 31.847 32.600 0.074 0.000 1.469 488 M HN -0.009 nan 8.290 nan 0.000 0.494 489 A N 2.940 125.733 122.820 -0.045 0.000 2.024 489 A HA -0.178 4.141 4.320 -0.002 0.000 0.220 489 A C 2.317 179.806 177.584 -0.159 0.000 1.164 489 A CA 1.787 53.767 52.037 -0.095 0.000 0.643 489 A CB -0.724 18.174 19.000 -0.170 0.000 0.806 489 A HN 0.791 nan 8.150 nan 0.000 0.451 490 R N -2.299 118.017 120.500 -0.306 0.000 2.307 490 R HA 0.141 4.480 4.340 -0.002 0.000 0.199 490 R C 0.803 176.762 176.300 -0.569 0.000 1.000 490 R CA 1.175 56.991 56.100 -0.474 0.000 1.023 490 R CB -0.370 29.542 30.300 -0.647 0.000 0.908 490 R HN 0.448 nan 8.270 nan 0.000 0.473 491 F N 0.850 120.769 119.950 -0.051 0.000 2.680 491 F HA 0.153 4.678 4.527 -0.003 0.000 0.290 491 F C 1.135 176.914 175.800 -0.036 0.000 1.114 491 F CA -0.029 57.946 58.000 -0.042 0.000 1.333 491 F CB 0.399 39.371 39.000 -0.045 0.000 1.091 491 F HN 0.106 nan 8.300 nan 0.000 0.606 492 D N -2.201 118.272 120.400 0.121 0.000 2.503 492 D HA 0.036 4.674 4.640 -0.002 0.000 0.218 492 D C -0.054 176.266 176.300 0.034 0.000 1.183 492 D CA 0.083 54.129 54.000 0.077 0.000 0.827 492 D CB -0.689 40.168 40.800 0.096 0.000 1.034 492 D HN 0.035 nan 8.370 nan 0.000 0.510 493 N N 0.682 119.380 118.700 -0.003 0.000 2.741 493 N HA -0.173 4.566 4.740 -0.002 0.000 0.250 493 N C 1.154 176.659 175.510 -0.008 0.000 1.115 493 N CA 1.307 54.342 53.050 -0.024 0.000 0.724 493 N CB -1.638 36.835 38.487 -0.024 0.000 1.090 493 N HN 0.676 nan 8.380 nan 0.000 0.558 494 G N -2.079 106.731 108.800 0.017 0.000 2.157 494 G HA2 -0.342 3.616 3.960 -0.002 0.000 0.239 494 G HA3 -0.342 3.616 3.960 -0.002 0.000 0.239 494 G C 0.914 175.874 174.900 0.101 0.000 0.982 494 G CA 1.456 46.585 45.100 0.048 0.000 0.650 494 G HN 0.870 nan 8.290 nan 0.000 0.527 495 E N -0.547 119.713 120.200 0.100 0.000 2.077 495 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 495 E C 1.955 178.662 176.600 0.177 0.000 0.989 495 E CA 1.775 58.250 56.400 0.124 0.000 0.800 495 E CB -0.614 29.142 29.700 0.094 0.000 0.746 495 E HN 0.922 nan 8.360 nan 0.000 0.452 496 Y N 0.711 121.046 120.300 0.058 0.000 2.181 496 Y HA 0.024 4.573 4.550 -0.003 0.000 0.288 496 Y C 2.865 178.798 175.900 0.056 0.000 1.146 496 Y CA 1.575 59.707 58.100 0.053 0.000 1.164 496 Y CB -0.516 37.975 38.460 0.052 0.000 0.982 496 Y HN 0.319 nan 8.280 nan 0.000 0.515 497 A N -1.042 121.884 122.820 0.177 0.000 1.902 497 A HA -0.267 4.052 4.320 -0.002 0.000 0.217 497 A C 2.013 179.627 177.584 0.051 0.000 1.181 497 A CA 1.946 54.043 52.037 0.100 0.000 0.623 497 A CB -1.246 17.815 19.000 0.101 0.000 0.818 497 A HN 0.689 nan 8.150 nan 0.000 0.443 498 H N -0.472 118.597 119.070 -0.002 0.000 2.387 498 H HA -0.137 4.418 4.556 -0.002 0.000 0.299 498 H C 1.944 177.243 175.328 -0.048 0.000 1.099 498 H CA 2.074 58.113 56.048 -0.016 0.000 1.315 498 H CB -0.038 29.720 29.762 -0.007 0.000 1.380 498 H HN 0.506 nan 8.280 nan 0.000 0.513 499 E N 0.110 120.245 120.200 -0.109 0.000 2.107 499 E HA -0.061 4.288 4.350 -0.002 0.000 0.191 499 E C 2.219 178.675 176.600 -0.241 0.000 0.982 499 E CA 1.207 57.487 56.400 -0.200 0.000 0.809 499 E CB -0.205 29.382 29.700 -0.188 0.000 0.756 499 E HN 0.630 nan 8.360 nan 0.000 0.459 500 I N 0.223 120.651 120.570 -0.237 0.000 2.163 500 I HA -0.261 3.908 4.170 -0.002 0.000 0.243 500 I C 1.637 177.672 176.117 -0.137 0.000 1.085 500 I CA 1.050 62.232 61.300 -0.197 0.000 1.347 500 I CB -0.339 37.583 38.000 -0.130 0.000 1.044 500 I HN 0.197 nan 8.210 nan 0.000 0.408 501 L N -2.045 119.103 121.223 -0.125 0.000 2.611 501 L HA 0.289 4.627 4.340 -0.002 0.000 0.229 501 L C 1.173 177.957 176.870 -0.143 0.000 1.137 501 L CA 0.726 55.505 54.840 -0.100 0.000 0.901 501 L CB -0.629 41.397 42.059 -0.054 0.000 1.098 501 L HN 0.108 nan 8.230 nan 0.000 0.456 502 N N 0.105 118.668 118.700 -0.228 0.000 2.631 502 N HA 0.214 4.952 4.740 -0.002 0.000 0.255 502 N C 1.076 176.479 175.510 -0.179 0.000 1.037 502 N CA 0.864 53.765 53.050 -0.248 0.000 0.919 502 N CB 0.200 38.389 38.487 -0.498 0.000 1.708 502 N HN 0.345 nan 8.380 nan 0.000 0.530 503 G N 0.239 108.921 108.800 -0.196 0.000 2.829 503 G HA2 0.201 4.160 3.960 -0.002 0.000 0.173 503 G HA3 0.201 4.160 3.960 -0.002 0.000 0.173 503 G C -1.045 173.797 174.900 -0.096 0.000 1.476 503 G CA 0.229 45.260 45.100 -0.115 0.000 1.072 503 G HN 0.138 nan 8.290 nan 0.000 0.577 504 D N -1.242 119.109 120.400 -0.081 0.000 2.420 504 D HA 0.272 4.911 4.640 -0.002 0.000 0.255 504 D C 0.921 177.155 176.300 -0.110 0.000 1.185 504 D CA -0.660 53.300 54.000 -0.066 0.000 0.904 504 D CB 1.080 41.878 40.800 -0.004 0.000 1.102 504 D HN 0.061 nan 8.370 nan 0.000 0.534 505 I N 3.574 124.005 120.570 -0.231 0.000 2.335 505 I HA -0.218 3.950 4.170 -0.002 0.000 0.251 505 I C 1.617 177.606 176.117 -0.214 0.000 1.129 505 I CA 1.669 62.779 61.300 -0.316 0.000 1.402 505 I CB -0.100 37.620 38.000 -0.465 0.000 1.069 505 I HN 0.529 nan 8.210 nan 0.000 0.424 506 H N -0.339 118.742 119.070 0.018 0.000 2.357 506 H HA -0.066 4.489 4.556 -0.002 0.000 0.301 506 H C 2.323 177.684 175.328 0.056 0.000 1.082 506 H CA 2.067 58.148 56.048 0.054 0.000 1.342 506 H CB -1.026 28.764 29.762 0.047 0.000 1.389 506 H HN 0.463 nan 8.280 nan 0.000 0.511 507 T N -0.921 113.714 114.554 0.136 0.000 2.904 507 T HA -0.076 4.272 4.350 -0.002 0.000 0.267 507 T C 1.978 176.722 174.700 0.073 0.000 1.059 507 T CA 1.062 63.215 62.100 0.090 0.000 1.137 507 T CB 0.159 69.062 68.868 0.058 0.000 0.879 507 T HN 0.241 nan 8.240 nan 0.000 0.467 508 K N 1.292 121.723 120.400 0.052 0.000 2.063 508 K HA -0.159 4.160 4.320 -0.002 0.000 0.208 508 K C 1.977 178.646 176.600 0.115 0.000 1.048 508 K CA 1.685 58.000 56.287 0.048 0.000 0.928 508 K CB -0.205 32.290 32.500 -0.008 0.000 0.713 508 K HN 0.272 nan 8.250 nan 0.000 0.442 509 N N 0.736 119.547 118.700 0.186 0.000 2.354 509 N HA -0.140 4.599 4.740 -0.002 0.000 0.179 509 N C 1.704 177.353 175.510 0.232 0.000 1.021 509 N CA 0.729 53.990 53.050 0.351 0.000 0.887 509 N CB -0.064 38.706 38.487 0.472 0.000 0.974 509 N HN 0.392 nan 8.380 nan 0.000 0.437 510 Q N 0.727 120.610 119.800 0.139 0.000 2.135 510 Q HA -0.032 4.307 4.340 -0.002 0.000 0.204 510 Q C 1.823 177.845 176.000 0.036 0.000 0.981 510 Q CA 1.046 56.886 55.803 0.062 0.000 0.856 510 Q CB 0.044 28.817 28.738 0.058 0.000 0.902 510 Q HN 0.355 nan 8.270 nan 0.000 0.425 511 I N 0.094 120.695 120.570 0.052 0.000 2.500 511 I HA -0.149 4.019 4.170 -0.002 0.000 0.252 511 I C 2.354 178.487 176.117 0.027 0.000 1.142 511 I CA 0.612 61.929 61.300 0.028 0.000 1.451 511 I CB -0.352 37.663 38.000 0.025 0.000 1.093 511 I HN 0.224 nan 8.210 nan 0.000 0.430 512 A N 1.102 123.962 122.820 0.065 0.000 1.902 512 A HA 0.062 4.380 4.320 -0.002 0.000 0.217 512 A C 1.580 179.209 177.584 0.074 0.000 1.181 512 A CA 1.529 53.589 52.037 0.037 0.000 0.623 512 A CB -0.556 18.458 19.000 0.023 0.000 0.818 512 A HN 0.374 nan 8.150 nan 0.000 0.443 513 A N -0.810 122.074 122.820 0.107 0.000 2.248 513 A HA 0.587 4.905 4.320 -0.002 0.000 0.316 513 A C -0.152 177.381 177.584 -0.084 0.000 1.101 513 A CA -0.500 51.499 52.037 -0.062 0.000 0.875 513 A CB 0.465 19.206 19.000 -0.431 0.000 1.207 513 A HN 0.173 nan 8.150 nan 0.000 0.504 514 E N 1.035 121.168 120.200 -0.113 0.000 2.427 514 E HA 0.279 4.628 4.350 -0.002 0.000 0.259 514 E C -1.038 175.513 176.600 -0.083 0.000 1.267 514 E CA 0.137 56.493 56.400 -0.072 0.000 1.425 514 E CB -0.021 29.649 29.700 -0.051 0.000 1.482 514 E HN 0.444 nan 8.360 nan 0.000 0.460 515 L N 2.238 123.406 121.223 -0.092 0.000 2.307 515 L HA 0.275 4.614 4.340 -0.002 0.000 0.282 515 L C -0.874 175.975 176.870 -0.034 0.000 1.051 515 L CA -1.564 53.231 54.840 -0.075 0.000 0.804 515 L CB 1.289 43.289 42.059 -0.098 0.000 1.197 515 L HN -0.013 nan 8.230 nan 0.000 0.431 516 P HA -0.025 nan 4.420 nan 0.000 0.224 516 P C 0.329 177.628 177.300 -0.002 0.000 1.157 516 P CA 0.690 63.785 63.100 -0.010 0.000 0.799 516 P CB 0.214 31.909 31.700 -0.007 0.000 0.809 517 T N -3.900 110.654 114.554 -0.001 0.000 2.876 517 T HA 0.421 4.770 4.350 -0.002 0.000 0.289 517 T C 0.962 175.669 174.700 0.011 0.000 1.014 517 T CA -0.912 61.191 62.100 0.005 0.000 0.986 517 T CB 2.716 71.588 68.868 0.005 0.000 1.021 517 T HN -0.155 nan 8.240 nan 0.000 0.458 518 R N 1.045 121.555 120.500 0.016 0.000 2.091 518 R HA -0.138 4.201 4.340 -0.002 0.000 0.238 518 R C 1.083 177.388 176.300 0.008 0.000 1.136 518 R CA 2.196 58.312 56.100 0.028 0.000 0.959 518 R CB -0.512 29.806 30.300 0.031 0.000 0.856 518 R HN 0.731 nan 8.270 nan 0.000 0.437 519 D N 0.153 120.547 120.400 -0.010 0.000 2.182 519 D HA -0.144 4.495 4.640 -0.002 0.000 0.201 519 D C 1.409 177.710 176.300 0.001 0.000 0.986 519 D CA 1.104 55.088 54.000 -0.026 0.000 0.847 519 D CB -0.451 40.339 40.800 -0.018 0.000 0.942 519 D HN 0.288 nan 8.370 nan 0.000 0.467 520 N N 0.182 118.893 118.700 0.018 0.000 2.223 520 N HA -0.088 4.651 4.740 -0.002 0.000 0.185 520 N C 1.586 177.144 175.510 0.081 0.000 1.016 520 N CA 1.271 54.344 53.050 0.039 0.000 0.863 520 N CB -0.174 38.324 38.487 0.018 0.000 0.983 520 N HN 0.164 nan 8.380 nan 0.000 0.429 521 A N 0.824 123.689 122.820 0.075 0.000 1.872 521 A HA -0.086 4.232 4.320 -0.002 0.000 0.214 521 A C 1.983 179.669 177.584 0.170 0.000 1.187 521 A CA 1.167 53.294 52.037 0.149 0.000 0.614 521 A CB -0.338 18.755 19.000 0.156 0.000 0.826 521 A HN 0.170 nan 8.150 nan 0.000 0.442 522 K N -0.831 119.587 120.400 0.029 0.000 2.160 522 K HA -0.129 4.190 4.320 -0.002 0.000 0.206 522 K C 1.934 178.557 176.600 0.039 0.000 1.047 522 K CA 1.809 58.054 56.287 -0.070 0.000 0.930 522 K CB -0.274 32.071 32.500 -0.258 0.000 0.720 522 K HN 0.496 nan 8.250 nan 0.000 0.450 523 T N 0.415 115.008 114.554 0.064 0.000 2.937 523 T HA -0.059 4.289 4.350 -0.002 0.000 0.260 523 T C 1.339 176.100 174.700 0.101 0.000 1.051 523 T CA 0.554 62.703 62.100 0.081 0.000 1.141 523 T CB -0.201 68.712 68.868 0.076 0.000 0.879 523 T HN 0.195 nan 8.240 nan 0.000 0.459 524 F N 1.999 121.939 119.950 -0.016 0.000 2.075 524 F HA -0.070 4.455 4.527 -0.002 0.000 0.297 524 F C 1.982 177.744 175.800 -0.064 0.000 1.113 524 F CA 0.814 58.775 58.000 -0.065 0.000 1.218 524 F CB -0.634 38.281 39.000 -0.142 0.000 0.984 524 F HN 0.024 nan 8.300 nan 0.000 0.472 525 I N 0.412 120.871 120.570 -0.185 0.000 2.163 525 I HA -0.243 3.926 4.170 -0.002 0.000 0.243 525 I C 2.946 179.025 176.117 -0.063 0.000 1.085 525 I CA 2.420 63.591 61.300 -0.214 0.000 1.347 525 I CB -1.556 36.502 38.000 0.097 0.000 1.044 525 I HN 0.358 nan 8.210 nan 0.000 0.408 526 Y N -0.193 120.129 120.300 0.037 0.000 2.193 526 Y HA -0.128 4.420 4.550 -0.002 0.000 0.285 526 Y C 2.501 178.467 175.900 0.111 0.000 1.166 526 Y CA 1.892 60.059 58.100 0.112 0.000 1.181 526 Y CB -1.893 36.647 38.460 0.133 0.000 0.976 526 Y HN 0.344 nan 8.280 nan 0.000 0.520 527 G N -1.628 107.149 108.800 -0.039 0.000 2.421 527 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.217 527 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.217 527 G C 1.706 176.266 174.900 -0.568 0.000 1.143 527 G CA 0.966 45.902 45.100 -0.273 0.000 0.784 527 G HN 0.712 nan 8.290 nan 0.000 0.541 528 F N 1.208 120.802 119.950 -0.594 0.000 2.186 528 F HA 0.110 4.636 4.527 -0.002 0.000 0.299 528 F C 2.342 177.937 175.800 -0.341 0.000 1.090 528 F CA 0.938 58.602 58.000 -0.561 0.000 1.307 528 F CB -0.075 38.468 39.000 -0.761 0.000 1.019 528 F HN 0.018 nan 8.300 nan 0.000 0.489 529 L N -0.426 120.703 121.223 -0.157 0.000 2.083 529 L HA -0.224 4.114 4.340 -0.002 0.000 0.209 529 L C 2.115 178.918 176.870 -0.111 0.000 1.083 529 L CA 1.667 56.453 54.840 -0.089 0.000 0.752 529 L CB -0.990 41.132 42.059 0.105 0.000 0.899 529 L HN 0.436 nan 8.230 nan 0.000 0.433 530 Y N -1.271 118.955 120.300 -0.124 0.000 2.468 530 Y HA 0.477 5.026 4.550 -0.002 0.000 0.268 530 Y C 1.106 176.925 175.900 -0.135 0.000 1.177 530 Y CA -0.142 57.894 58.100 -0.107 0.000 1.265 530 Y CB -0.364 38.056 38.460 -0.067 0.000 1.103 530 Y HN 0.048 nan 8.280 nan 0.000 0.522 531 G N 1.001 109.457 108.800 -0.573 0.000 2.289 531 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.280 531 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.280 531 G C 0.320 174.929 174.900 -0.485 0.000 1.089 531 G CA -0.117 44.694 45.100 -0.483 0.000 0.939 531 G HN 1.008 nan 8.290 nan 0.000 0.499 532 A N -0.253 122.063 122.820 -0.840 0.000 2.448 532 A HA 0.700 5.018 4.320 -0.002 0.000 0.239 532 A C 1.392 178.878 177.584 -0.164 0.000 1.080 532 A CA 0.834 52.562 52.037 -0.515 0.000 0.779 532 A CB 0.415 19.108 19.000 -0.512 0.000 1.026 532 A HN 1.983 nan 8.150 nan 0.000 0.499 533 G N -0.960 107.821 108.800 -0.031 0.000 2.527 533 G HA2 0.401 4.360 3.960 -0.002 0.000 0.248 533 G HA3 0.401 4.360 3.960 -0.002 0.000 0.248 533 G C 0.847 175.761 174.900 0.023 0.000 1.231 533 G CA 0.578 45.686 45.100 0.013 0.000 0.838 533 G HN 1.034 nan 8.290 nan 0.000 0.570 534 D N 0.153 120.574 120.400 0.035 0.000 2.172 534 D HA -0.108 4.530 4.640 -0.002 0.000 0.196 534 D C 2.263 178.595 176.300 0.054 0.000 0.999 534 D CA 2.906 56.937 54.000 0.052 0.000 0.856 534 D CB -0.791 40.034 40.800 0.042 0.000 0.934 534 D HN 0.806 nan 8.370 nan 0.000 0.453 535 E N 0.031 120.258 120.200 0.046 0.000 2.012 535 E HA -0.095 4.253 4.350 -0.002 0.000 0.197 535 E C 2.596 179.230 176.600 0.056 0.000 1.007 535 E CA 2.860 59.289 56.400 0.049 0.000 0.816 535 E CB -1.479 28.249 29.700 0.046 0.000 0.762 535 E HN 0.964 nan 8.360 nan 0.000 0.451 536 K N -0.092 120.343 120.400 0.059 0.000 2.160 536 K HA 0.064 4.383 4.320 -0.002 0.000 0.206 536 K C 2.570 179.215 176.600 0.076 0.000 1.047 536 K CA 2.859 59.187 56.287 0.068 0.000 0.930 536 K CB -1.754 30.794 32.500 0.081 0.000 0.720 536 K HN 1.223 nan 8.250 nan 0.000 0.450 537 I N 0.480 121.098 120.570 0.080 0.000 2.315 537 I HA 0.179 4.348 4.170 -0.002 0.000 0.248 537 I C 2.844 179.027 176.117 0.111 0.000 1.117 537 I CA 2.051 63.426 61.300 0.125 0.000 1.404 537 I CB -1.571 36.524 38.000 0.158 0.000 1.071 537 I HN 0.486 nan 8.210 nan 0.000 0.419 538 G N -0.555 108.293 108.800 0.080 0.000 2.403 538 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.216 538 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.216 538 G C 1.650 176.582 174.900 0.053 0.000 1.154 538 G CA 1.344 46.480 45.100 0.060 0.000 0.784 538 G HN 1.042 nan 8.290 nan 0.000 0.538 539 Q N -0.295 119.539 119.800 0.056 0.000 2.561 539 Q HA 0.371 4.710 4.340 -0.002 0.000 0.217 539 Q C 2.394 178.424 176.000 0.050 0.000 0.980 539 Q CA 1.556 57.389 55.803 0.050 0.000 0.927 539 Q CB -1.082 27.687 28.738 0.052 0.000 0.980 539 Q HN 0.955 nan 8.270 nan 0.000 0.525 540 I N -1.950 118.655 120.570 0.058 0.000 3.265 540 I HA 0.578 4.747 4.170 -0.002 0.000 0.282 540 I C 2.474 178.613 176.117 0.037 0.000 1.207 540 I CA 1.275 62.608 61.300 0.055 0.000 1.449 540 I CB -0.479 37.570 38.000 0.082 0.000 1.121 540 I HN 0.553 nan 8.210 nan 0.000 0.442 541 V N -0.067 119.866 119.914 0.031 0.000 3.649 541 V HA 0.506 4.624 4.120 -0.002 0.000 0.275 541 V C 2.025 178.129 176.094 0.017 0.000 1.281 541 V CA 1.641 63.950 62.300 0.015 0.000 1.143 541 V CB -0.655 31.171 31.823 0.005 0.000 0.892 541 V HN 1.601 nan 8.190 nan 0.000 0.441 542 G N -0.831 107.984 108.800 0.024 0.000 2.399 542 G HA2 0.040 3.999 3.960 -0.002 0.000 0.216 542 G HA3 0.040 3.999 3.960 -0.002 0.000 0.216 542 G C 0.961 175.876 174.900 0.026 0.000 1.096 542 G CA 0.633 45.747 45.100 0.023 0.000 0.650 542 G HN 1.914 nan 8.290 nan 0.000 0.512 543 A N 0.284 123.119 122.820 0.024 0.000 2.394 543 A HA 0.699 5.017 4.320 -0.002 0.000 0.256 543 A C 1.210 178.813 177.584 0.032 0.000 1.700 543 A CA 1.417 53.469 52.037 0.026 0.000 0.887 543 A CB -0.274 18.739 19.000 0.023 0.000 1.487 543 A HN 2.405 nan 8.150 nan 0.000 0.641 544 G N -4.571 104.249 108.800 0.033 0.000 2.405 544 G HA2 0.610 4.568 3.960 -0.002 0.000 0.312 544 G HA3 0.610 4.568 3.960 -0.002 0.000 0.312 544 G C 0.228 175.150 174.900 0.036 0.000 1.579 544 G CA 0.780 45.903 45.100 0.038 0.000 0.933 544 G HN 2.031 nan 8.290 nan 0.000 0.628 545 K N 0.020 120.444 120.400 0.040 0.000 3.557 545 K HA -0.335 3.984 4.320 -0.002 0.000 0.292 545 K C 1.635 178.255 176.600 0.033 0.000 1.167 545 K CA 3.439 59.748 56.287 0.036 0.000 1.048 545 K CB -1.654 30.864 32.500 0.031 0.000 1.368 545 K HN 1.241 nan 8.250 nan 0.000 0.425 546 E N -1.085 119.133 120.200 0.031 0.000 2.134 546 E HA 0.298 4.646 4.350 -0.002 0.000 0.194 546 E C 2.467 179.084 176.600 0.029 0.000 0.937 546 E CA 2.116 58.532 56.400 0.026 0.000 0.874 546 E CB -0.216 29.497 29.700 0.021 0.000 0.853 546 E HN 0.802 nan 8.360 nan 0.000 0.471 547 R N 0.937 121.454 120.500 0.028 0.000 2.189 547 R HA 0.100 4.438 4.340 -0.002 0.000 0.223 547 R C 2.289 178.614 176.300 0.042 0.000 1.092 547 R CA 1.674 57.790 56.100 0.026 0.000 0.989 547 R CB -1.843 28.468 30.300 0.019 0.000 0.876 547 R HN 0.355 nan 8.270 nan 0.000 0.457 548 G N 0.664 109.497 108.800 0.054 0.000 2.604 548 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.216 548 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.216 548 G C 2.072 177.028 174.900 0.094 0.000 1.265 548 G CA 2.374 47.523 45.100 0.080 0.000 0.804 548 G HN 0.736 nan 8.290 nan 0.000 0.579 549 K N 0.364 120.808 120.400 0.073 0.000 2.113 549 K HA -0.046 4.273 4.320 -0.002 0.000 0.208 549 K C 2.503 179.149 176.600 0.077 0.000 1.047 549 K CA 2.611 58.943 56.287 0.075 0.000 0.928 549 K CB -1.506 31.022 32.500 0.047 0.000 0.716 549 K HN 0.691 nan 8.250 nan 0.000 0.446 550 E N 1.146 121.379 120.200 0.056 0.000 2.038 550 E HA -0.091 4.258 4.350 -0.002 0.000 0.195 550 E C 2.231 178.860 176.600 0.049 0.000 1.000 550 E CA 1.422 57.847 56.400 0.042 0.000 0.803 550 E CB -0.711 29.003 29.700 0.024 0.000 0.750 550 E HN 0.579 nan 8.360 nan 0.000 0.448 551 L N -0.006 121.242 121.223 0.042 0.000 1.990 551 L HA -0.252 4.086 4.340 -0.002 0.000 0.213 551 L C 2.932 179.864 176.870 0.104 0.000 1.072 551 L CA 2.213 57.055 54.840 0.003 0.000 0.755 551 L CB -0.429 41.594 42.059 -0.060 0.000 0.889 551 L HN 0.281 nan 8.230 nan 0.000 0.432 552 K N 0.288 120.825 120.400 0.228 0.000 2.160 552 K HA -0.239 4.080 4.320 -0.002 0.000 0.206 552 K C 2.469 179.228 176.600 0.266 0.000 1.047 552 K CA 1.978 58.471 56.287 0.344 0.000 0.930 552 K CB -0.306 32.383 32.500 0.315 0.000 0.720 552 K HN 0.380 nan 8.250 nan 0.000 0.450 553 K N 1.696 122.192 120.400 0.160 0.000 2.116 553 K HA -0.096 4.223 4.320 -0.002 0.000 0.203 553 K C 1.839 178.485 176.600 0.077 0.000 1.052 553 K CA 1.591 57.941 56.287 0.106 0.000 0.952 553 K CB -0.261 32.279 32.500 0.067 0.000 0.729 553 K HN 0.075 nan 8.250 nan 0.000 0.446 554 K N -0.228 120.213 120.400 0.069 0.000 2.097 554 K HA 0.016 4.334 4.320 -0.002 0.000 0.205 554 K C 1.768 178.394 176.600 0.044 0.000 1.050 554 K CA 1.372 57.678 56.287 0.032 0.000 0.938 554 K CB -0.546 31.958 32.500 0.007 0.000 0.718 554 K HN 0.320 nan 8.250 nan 0.000 0.442 555 F N 1.222 121.129 119.950 -0.072 0.000 2.102 555 F HA -0.068 4.458 4.527 -0.001 0.000 0.298 555 F C 1.504 177.271 175.800 -0.056 0.000 1.105 555 F CA 1.579 59.529 58.000 -0.083 0.000 1.239 555 F CB -0.232 38.742 39.000 -0.044 0.000 0.991 555 F HN -0.009 nan 8.300 nan 0.000 0.474 556 L N 0.241 121.431 121.223 -0.054 0.000 2.093 556 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 556 L C 2.823 179.593 176.870 -0.166 0.000 1.085 556 L CA 1.560 56.310 54.840 -0.149 0.000 0.755 556 L CB -1.822 40.253 42.059 0.025 0.000 0.904 556 L HN 0.299 nan 8.230 nan 0.000 0.435 557 E N 0.527 120.669 120.200 -0.096 0.000 2.204 557 E HA -0.196 4.153 4.350 -0.002 0.000 0.195 557 E C 1.584 178.115 176.600 -0.115 0.000 0.990 557 E CA 1.521 57.870 56.400 -0.084 0.000 0.821 557 E CB -0.613 29.059 29.700 -0.046 0.000 0.750 557 E HN 0.559 nan 8.360 nan 0.000 0.477 558 N N -0.381 118.219 118.700 -0.166 0.000 2.214 558 N HA 0.047 4.786 4.740 -0.002 0.000 0.214 558 N C -0.417 174.951 175.510 -0.236 0.000 1.132 558 N CA 0.350 53.302 53.050 -0.163 0.000 0.856 558 N CB 1.448 39.860 38.487 -0.125 0.000 1.020 558 N HN 0.237 nan 8.380 nan 0.000 0.509 559 T N 1.472 115.835 114.554 -0.319 0.000 3.734 559 T HA 0.154 4.503 4.350 -0.002 0.000 0.238 559 T C -1.799 172.743 174.700 -0.263 0.000 1.205 559 T CA -0.832 61.053 62.100 -0.358 0.000 1.606 559 T CB 1.973 70.418 68.868 -0.705 0.000 0.832 559 T HN 0.021 nan 8.240 nan 0.000 0.655 560 P HA -0.205 nan 4.420 nan 0.000 0.217 560 P C 1.635 178.831 177.300 -0.174 0.000 1.151 560 P CA 1.165 64.177 63.100 -0.147 0.000 0.849 560 P CB 0.198 31.839 31.700 -0.098 0.000 0.787 561 A N 0.020 122.749 122.820 -0.152 0.000 1.940 561 A HA -0.173 4.146 4.320 -0.002 0.000 0.219 561 A C 2.396 179.837 177.584 -0.238 0.000 1.176 561 A CA 1.596 53.545 52.037 -0.146 0.000 0.631 561 A CB -1.488 17.476 19.000 -0.059 0.000 0.814 561 A HN 0.183 nan 8.150 nan 0.000 0.446 562 I N -0.682 119.752 120.570 -0.227 0.000 2.353 562 I HA -0.199 3.969 4.170 -0.002 0.000 0.248 562 I C 2.883 178.902 176.117 -0.163 0.000 1.119 562 I CA 0.905 62.108 61.300 -0.163 0.000 1.417 562 I CB -0.342 37.597 38.000 -0.101 0.000 1.078 562 I HN 0.358 nan 8.210 nan 0.000 0.421 563 A N 0.830 123.542 122.820 -0.181 0.000 1.969 563 A HA -0.045 4.274 4.320 -0.002 0.000 0.218 563 A C 2.535 179.964 177.584 -0.258 0.000 1.169 563 A CA 1.562 53.502 52.037 -0.160 0.000 0.635 563 A CB -0.566 18.356 19.000 -0.129 0.000 0.810 563 A HN 0.403 nan 8.150 nan 0.000 0.445 564 A N -0.290 122.287 122.820 -0.406 0.000 1.898 564 A HA 0.021 4.339 4.320 -0.002 0.000 0.216 564 A C 2.099 179.156 177.584 -0.879 0.000 1.181 564 A CA 1.623 53.269 52.037 -0.651 0.000 0.620 564 A CB -0.639 17.835 19.000 -0.876 0.000 0.819 564 A HN 0.691 nan 8.150 nan 0.000 0.442 565 L N 0.210 120.905 121.223 -0.880 0.000 2.012 565 L HA -0.158 4.181 4.340 -0.002 0.000 0.210 565 L C 2.430 179.163 176.870 -0.228 0.000 1.073 565 L CA 2.641 57.199 54.840 -0.469 0.000 0.748 565 L CB -0.726 41.243 42.059 -0.149 0.000 0.891 565 L HN 0.487 nan 8.230 nan 0.000 0.431 566 R N -0.578 119.806 120.500 -0.193 0.000 2.096 566 R HA -0.165 4.174 4.340 -0.002 0.000 0.235 566 R C 2.130 178.353 176.300 -0.127 0.000 1.127 566 R CA 1.742 57.764 56.100 -0.131 0.000 0.968 566 R CB -0.201 30.046 30.300 -0.088 0.000 0.861 566 R HN 0.569 nan 8.270 nan 0.000 0.440 567 E N -0.170 119.936 120.200 -0.156 0.000 2.107 567 E HA -0.132 4.217 4.350 -0.002 0.000 0.191 567 E C 1.967 178.511 176.600 -0.093 0.000 0.982 567 E CA 1.485 57.811 56.400 -0.123 0.000 0.809 567 E CB 0.101 29.723 29.700 -0.130 0.000 0.756 567 E HN 0.481 nan 8.360 nan 0.000 0.459 568 S N 0.622 116.272 115.700 -0.084 0.000 2.414 568 S HA -0.054 4.415 4.470 -0.002 0.000 0.227 568 S C 2.046 176.637 174.600 -0.014 0.000 1.022 568 S CA 0.382 58.585 58.200 0.004 0.000 0.958 568 S CB -0.316 62.981 63.200 0.163 0.000 0.797 568 S HN 0.142 nan 8.310 nan 0.000 0.493 569 I N 1.401 121.945 120.570 -0.043 0.000 2.252 569 I HA -0.154 4.014 4.170 -0.002 0.000 0.245 569 I C 3.143 179.216 176.117 -0.075 0.000 1.102 569 I CA 1.329 62.590 61.300 -0.064 0.000 1.385 569 I CB -0.381 37.562 38.000 -0.095 0.000 1.064 569 I HN 0.367 nan 8.210 nan 0.000 0.414 570 Q N 0.535 120.284 119.800 -0.085 0.000 2.170 570 Q HA -0.264 4.075 4.340 -0.002 0.000 0.203 570 Q C 2.432 178.370 176.000 -0.104 0.000 0.976 570 Q CA 2.181 57.922 55.803 -0.103 0.000 0.858 570 Q CB -0.034 28.640 28.738 -0.106 0.000 0.907 570 Q HN 0.696 nan 8.270 nan 0.000 0.433 571 Q N -0.303 119.450 119.800 -0.080 0.000 2.167 571 Q HA -0.102 4.237 4.340 -0.002 0.000 0.202 571 Q C 1.915 177.872 176.000 -0.073 0.000 0.970 571 Q CA 1.728 57.489 55.803 -0.070 0.000 0.855 571 Q CB -1.056 27.655 28.738 -0.045 0.000 0.911 571 Q HN 0.396 nan 8.270 nan 0.000 0.438 572 T N 0.679 115.189 114.554 -0.073 0.000 2.821 572 T HA 0.029 4.378 4.350 -0.002 0.000 0.267 572 T C 1.889 176.524 174.700 -0.109 0.000 1.046 572 T CA 1.352 63.397 62.100 -0.092 0.000 1.139 572 T CB -0.132 68.679 68.868 -0.095 0.000 0.871 572 T HN 0.512 nan 8.240 nan 0.000 0.454 573 L N -0.009 121.164 121.223 -0.084 0.000 2.221 573 L HA 0.229 4.568 4.340 -0.002 0.000 0.202 573 L C 0.422 177.249 176.870 -0.072 0.000 1.074 573 L CA 0.246 55.072 54.840 -0.023 0.000 0.795 573 L CB 0.120 42.217 42.059 0.064 0.000 0.960 573 L HN 0.008 nan 8.230 nan 0.000 0.458 574 V N 0.585 120.388 119.914 -0.183 0.000 2.547 574 V HA 0.275 4.394 4.120 -0.002 0.000 0.299 574 V C -0.275 175.727 176.094 -0.154 0.000 1.040 574 V CA -0.711 61.437 62.300 -0.254 0.000 0.913 574 V CB 1.645 33.258 31.823 -0.350 0.000 0.992 574 V HN 0.271 nan 8.190 nan 0.000 0.449 588 W N 3.007 124.294 121.300 -0.023 0.000 2.512 588 W HA 0.505 5.164 4.660 -0.002 0.000 0.335 588 W C 1.405 177.892 176.519 -0.053 0.000 1.088 588 W CA -0.688 56.631 57.345 -0.044 0.000 1.236 588 W CB 1.191 30.627 29.460 -0.039 0.000 1.307 588 W HN 0.560 nan 8.180 nan 0.000 0.567 589 K N 0.669 121.153 120.400 0.141 0.000 2.308 589 K HA 0.157 4.475 4.320 -0.002 0.000 0.197 589 K C 0.208 176.811 176.600 0.004 0.000 1.049 589 K CA 0.534 56.843 56.287 0.038 0.000 0.991 589 K CB 0.471 32.955 32.500 -0.028 0.000 0.836 589 K HN 0.506 nan 8.250 nan 0.000 0.500 590 R N -0.379 120.127 120.500 0.010 0.000 2.736 590 R HA 0.129 4.468 4.340 -0.002 0.000 0.250 590 R C -1.236 174.991 176.300 -0.121 0.000 1.098 590 R CA -0.521 55.463 56.100 -0.192 0.000 0.978 590 R CB 0.864 30.834 30.300 -0.550 0.000 1.263 590 R HN -0.091 nan 8.270 nan 0.000 0.460 591 R N 4.281 124.683 120.500 -0.163 0.000 2.568 591 R HA 0.237 4.576 4.340 -0.002 0.000 0.288 591 R C -0.935 175.291 176.300 -0.124 0.000 1.077 591 R CA -0.132 55.805 56.100 -0.272 0.000 1.102 591 R CB 0.414 30.386 30.300 -0.547 0.000 1.278 591 R HN 0.532 nan 8.270 nan 0.000 0.560 592 W N -0.237 121.015 121.300 -0.081 0.000 3.118 592 W HA 0.443 5.102 4.660 -0.002 0.000 0.328 592 W C -1.522 174.978 176.519 -0.033 0.000 1.239 592 W CA -1.181 56.120 57.345 -0.075 0.000 1.176 592 W CB 0.456 29.884 29.460 -0.052 0.000 1.433 592 W HN -0.356 nan 8.180 nan 0.000 0.562 593 I N 2.269 123.030 120.570 0.318 0.000 2.562 593 I HA 0.296 4.465 4.170 -0.002 0.000 0.301 593 I C 0.133 176.497 176.117 0.411 0.000 1.003 593 I CA -1.353 60.075 61.300 0.212 0.000 1.127 593 I CB 1.853 39.898 38.000 0.076 0.000 1.304 593 I HN 0.427 nan 8.210 nan 0.000 0.446 594 K N 3.277 123.885 120.400 0.347 0.000 2.276 594 K HA 0.462 4.781 4.320 -0.002 0.000 0.285 594 K C 0.233 176.936 176.600 0.172 0.000 1.062 594 K CA -0.280 56.203 56.287 0.326 0.000 0.918 594 K CB 0.822 33.518 32.500 0.327 0.000 1.055 594 K HN 0.854 nan 8.250 nan 0.000 0.477 595 G N 2.964 111.840 108.800 0.127 0.000 2.616 595 G HA2 0.100 4.058 3.960 -0.002 0.000 0.268 595 G HA3 0.100 4.058 3.960 -0.002 0.000 0.268 595 G C 0.946 175.830 174.900 -0.026 0.000 1.213 595 G CA -0.690 44.450 45.100 0.067 0.000 0.926 595 G HN 0.735 nan 8.290 nan 0.000 0.523 596 L N -0.018 121.102 121.223 -0.173 0.000 2.187 596 L HA -0.082 4.257 4.340 -0.002 0.000 0.213 596 L C 2.043 178.544 176.870 -0.615 0.000 1.100 596 L CA 1.568 56.079 54.840 -0.549 0.000 0.765 596 L CB -0.270 41.130 42.059 -1.098 0.000 0.904 596 L HN 0.673 nan 8.230 nan 0.000 0.437 597 D N -1.168 119.067 120.400 -0.275 0.000 2.340 597 D HA 0.086 4.724 4.640 -0.002 0.000 0.217 597 D C 1.426 177.764 176.300 0.064 0.000 1.081 597 D CA 0.688 54.719 54.000 0.053 0.000 0.842 597 D CB 0.434 41.379 40.800 0.241 0.000 0.934 597 D HN 0.255 nan 8.370 nan 0.000 0.511 598 G N 1.313 110.123 108.800 0.016 0.000 2.217 598 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.246 598 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.246 598 G C 0.458 175.398 174.900 0.067 0.000 0.990 598 G CA 0.121 45.232 45.100 0.019 0.000 0.627 598 G HN 0.703 nan 8.290 nan 0.000 0.522 599 R N 0.936 121.487 120.500 0.085 0.000 2.738 599 R HA 0.443 4.782 4.340 -0.002 0.000 0.268 599 R C -0.296 175.996 176.300 -0.012 0.000 1.062 599 R CA -0.004 56.160 56.100 0.105 0.000 1.158 599 R CB 0.503 30.939 30.300 0.226 0.000 1.046 599 R HN 0.262 nan 8.270 nan 0.000 0.493 600 K N 1.507 121.768 120.400 -0.232 0.000 2.258 600 K HA 0.253 4.571 4.320 -0.002 0.000 0.284 600 K C -0.816 175.767 176.600 -0.027 0.000 1.051 600 K CA -0.627 55.411 56.287 -0.416 0.000 0.923 600 K CB 1.782 33.638 32.500 -1.073 0.000 1.046 600 K HN 0.302 nan 8.250 nan 0.000 0.474 601 V N 3.653 123.656 119.914 0.148 0.000 2.313 601 V HA 0.042 4.161 4.120 -0.002 0.000 0.278 601 V C -0.186 176.032 176.094 0.208 0.000 1.017 601 V CA -0.869 61.526 62.300 0.159 0.000 0.823 601 V CB 0.411 32.316 31.823 0.136 0.000 1.010 601 V HN 0.735 nan 8.190 nan 0.000 0.443 602 H N 4.276 123.409 119.070 0.105 0.000 3.001 602 H HA 0.255 4.809 4.556 -0.002 0.000 0.334 602 H C -0.536 174.832 175.328 0.066 0.000 1.034 602 H CA 0.534 56.636 56.048 0.091 0.000 1.420 602 H CB 0.812 30.596 29.762 0.037 0.000 1.405 602 H HN 0.398 nan 8.280 nan 0.000 0.593 603 V N 7.811 127.391 119.914 -0.558 0.000 2.378 603 V HA 0.201 4.319 4.120 -0.002 0.000 0.288 603 V C 1.029 176.836 176.094 -0.478 0.000 1.016 603 V CA -0.587 61.526 62.300 -0.311 0.000 0.840 603 V CB 1.373 33.147 31.823 -0.081 0.000 0.994 603 V HN 0.892 nan 8.190 nan 0.000 0.431 604 R N 1.970 122.367 120.500 -0.171 0.000 2.073 604 R HA 0.059 4.398 4.340 -0.002 0.000 0.229 604 R C 0.893 177.267 176.300 0.123 0.000 1.120 604 R CA 1.023 57.111 56.100 -0.020 0.000 0.967 604 R CB 0.099 30.459 30.300 0.101 0.000 0.862 604 R HN 0.591 nan 8.270 nan 0.000 0.436 605 S N -1.055 114.760 115.700 0.192 0.000 2.547 605 S HA 0.312 4.781 4.470 -0.002 0.000 0.281 605 S C -2.309 172.436 174.600 0.241 0.000 1.118 605 S CA -1.927 56.445 58.200 0.287 0.000 0.947 605 S CB 1.811 65.128 63.200 0.195 0.000 1.053 605 S HN -0.225 nan 8.310 nan 0.000 0.482 606 P HA -0.181 nan 4.420 nan 0.000 0.216 606 P C 1.297 178.607 177.300 0.016 0.000 1.153 606 P CA 1.159 64.258 63.100 -0.001 0.000 0.858 606 P CB -0.121 31.462 31.700 -0.195 0.000 0.789 607 H N -0.316 118.735 119.070 -0.031 0.000 2.491 607 H HA 0.048 4.602 4.556 -0.002 0.000 0.290 607 H C 1.280 176.579 175.328 -0.048 0.000 1.050 607 H CA 1.389 57.412 56.048 -0.042 0.000 1.309 607 H CB -0.006 29.737 29.762 -0.032 0.000 1.392 607 H HN 0.016 nan 8.280 nan 0.000 0.554 608 A N 0.176 122.940 122.820 -0.094 0.000 2.308 608 A HA 0.400 4.718 4.320 -0.002 0.000 0.217 608 A C 2.461 179.970 177.584 -0.125 0.000 1.216 608 A CA 0.611 52.562 52.037 -0.143 0.000 0.864 608 A CB -0.398 18.602 19.000 0.001 0.000 0.902 608 A HN 0.503 nan 8.150 nan 0.000 0.499 609 A N 0.372 123.131 122.820 -0.101 0.000 1.873 609 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 609 A C 2.087 179.590 177.584 -0.136 0.000 1.193 609 A CA 1.633 53.619 52.037 -0.086 0.000 0.629 609 A CB -0.681 18.279 19.000 -0.066 0.000 0.826 609 A HN 0.532 nan 8.150 nan 0.000 0.447 610 L N 0.042 121.155 121.223 -0.184 0.000 2.012 610 L HA -0.240 4.098 4.340 -0.002 0.000 0.210 610 L C 2.630 179.382 176.870 -0.195 0.000 1.073 610 L CA 2.062 56.781 54.840 -0.202 0.000 0.748 610 L CB -0.479 41.450 42.059 -0.217 0.000 0.891 610 L HN 0.688 nan 8.230 nan 0.000 0.431 611 N N -0.998 117.568 118.700 -0.224 0.000 2.104 611 N HA -0.205 4.534 4.740 -0.002 0.000 0.190 611 N C 1.520 176.979 175.510 -0.086 0.000 1.024 611 N CA 2.194 55.138 53.050 -0.176 0.000 0.853 611 N CB -0.014 38.352 38.487 -0.202 0.000 1.008 611 N HN 0.327 nan 8.380 nan 0.000 0.424 612 T N 1.934 116.444 114.554 -0.074 0.000 2.746 612 T HA -0.138 4.211 4.350 -0.002 0.000 0.267 612 T C 1.969 176.655 174.700 -0.024 0.000 1.039 612 T CA 1.040 63.125 62.100 -0.025 0.000 1.142 612 T CB -0.369 68.491 68.868 -0.014 0.000 0.866 612 T HN 0.193 nan 8.240 nan 0.000 0.444 613 L N 0.975 122.146 121.223 -0.085 0.000 1.989 613 L HA -0.027 4.312 4.340 -0.002 0.000 0.211 613 L C 2.192 179.020 176.870 -0.070 0.000 1.071 613 L CA 1.680 56.433 54.840 -0.146 0.000 0.749 613 L CB -0.665 41.188 42.059 -0.344 0.000 0.890 613 L HN 0.242 nan 8.230 nan 0.000 0.431 614 L N -0.870 120.330 121.223 -0.038 0.000 2.017 614 L HA -0.234 4.105 4.340 -0.002 0.000 0.208 614 L C 2.713 179.672 176.870 0.148 0.000 1.073 614 L CA 1.844 56.754 54.840 0.117 0.000 0.745 614 L CB -0.803 41.313 42.059 0.094 0.000 0.894 614 L HN 0.486 nan 8.230 nan 0.000 0.432 615 Q N -0.379 119.472 119.800 0.086 0.000 2.124 615 Q HA -0.240 4.098 4.340 -0.002 0.000 0.202 615 Q C 2.357 178.430 176.000 0.120 0.000 0.977 615 Q CA 2.030 57.889 55.803 0.093 0.000 0.850 615 Q CB -0.027 28.744 28.738 0.056 0.000 0.901 615 Q HN 0.361 nan 8.270 nan 0.000 0.429 616 S N -0.656 115.112 115.700 0.114 0.000 2.368 616 S HA -0.093 4.376 4.470 -0.002 0.000 0.224 616 S C 1.892 176.593 174.600 0.168 0.000 1.029 616 S CA 1.031 59.310 58.200 0.131 0.000 0.988 616 S CB -0.324 62.939 63.200 0.104 0.000 0.838 616 S HN 0.562 nan 8.310 nan 0.000 0.462 617 A N 0.994 123.946 122.820 0.220 0.000 1.877 617 A HA 0.112 4.430 4.320 -0.002 0.000 0.216 617 A C 2.370 180.091 177.584 0.229 0.000 1.186 617 A CA 1.852 54.052 52.037 0.272 0.000 0.620 617 A CB -1.728 17.583 19.000 0.518 0.000 0.822 617 A HN 0.619 nan 8.150 nan 0.000 0.443 618 G N -0.522 108.419 108.800 0.234 0.000 2.440 618 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.218 618 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.218 618 G C 1.764 176.812 174.900 0.246 0.000 1.154 618 G CA 1.635 46.861 45.100 0.210 0.000 0.767 618 G HN 0.832 nan 8.290 nan 0.000 0.552 619 A N 0.612 123.581 122.820 0.248 0.000 1.883 619 A HA 0.052 4.371 4.320 -0.002 0.000 0.217 619 A C 2.445 180.245 177.584 0.360 0.000 1.186 619 A CA 1.415 53.637 52.037 0.309 0.000 0.624 619 A CB -0.412 18.736 19.000 0.248 0.000 0.822 619 A HN 0.357 nan 8.150 nan 0.000 0.444 620 L N -0.925 120.474 121.223 0.294 0.000 2.109 620 L HA -0.109 4.230 4.340 -0.002 0.000 0.207 620 L C 2.485 179.630 176.870 0.457 0.000 1.086 620 L CA 0.993 56.033 54.840 0.335 0.000 0.760 620 L CB -0.563 41.612 42.059 0.193 0.000 0.910 620 L HN 0.362 nan 8.230 nan 0.000 0.437 621 I N -0.576 120.224 120.570 0.383 0.000 2.202 621 I HA -0.316 3.852 4.170 -0.002 0.000 0.242 621 I C 2.651 178.974 176.117 0.342 0.000 1.091 621 I CA 1.095 62.610 61.300 0.359 0.000 1.368 621 I CB -0.261 37.798 38.000 0.099 0.000 1.058 621 I HN 0.353 nan 8.210 nan 0.000 0.410 622 C N 0.468 119.998 119.300 0.383 0.000 2.425 622 C HA -0.175 4.284 4.460 -0.002 0.000 0.277 622 C C 2.812 178.061 174.990 0.431 0.000 1.280 622 C CA 0.946 60.291 59.018 0.544 0.000 1.744 622 C CB -0.912 27.241 27.740 0.687 0.000 1.989 622 C HN 0.436 nan 8.230 nan 0.000 0.491 623 K N 0.413 121.029 120.400 0.360 0.000 2.025 623 K HA -0.078 4.241 4.320 -0.002 0.000 0.207 623 K C 2.046 178.678 176.600 0.052 0.000 1.049 623 K CA 1.102 57.457 56.287 0.113 0.000 0.933 623 K CB -0.290 32.367 32.500 0.262 0.000 0.714 623 K HN 0.424 nan 8.250 nan 0.000 0.438 624 L N 0.155 121.486 121.223 0.179 0.000 2.093 624 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 624 L C 2.168 179.084 176.870 0.076 0.000 1.085 624 L CA 1.129 56.019 54.840 0.082 0.000 0.755 624 L CB -0.326 41.737 42.059 0.007 0.000 0.904 624 L HN 0.471 nan 8.230 nan 0.000 0.435 625 W N 1.709 122.983 121.300 -0.044 0.000 2.354 625 W HA -0.240 4.419 4.660 -0.002 0.000 0.315 625 W C 2.361 178.814 176.519 -0.110 0.000 1.206 625 W CA 2.318 59.627 57.345 -0.059 0.000 1.290 625 W CB -0.491 28.962 29.460 -0.012 0.000 1.152 625 W HN 0.260 nan 8.180 nan 0.000 0.489 626 I N -1.490 118.858 120.570 -0.369 0.000 2.394 626 I HA -0.182 3.987 4.170 -0.002 0.000 0.251 626 I C 2.193 178.115 176.117 -0.324 0.000 1.136 626 I CA 1.632 62.582 61.300 -0.583 0.000 1.425 626 I CB -0.895 36.717 38.000 -0.647 0.000 1.079 626 I HN 0.029 nan 8.210 nan 0.000 0.425 627 I N 1.427 121.837 120.570 -0.267 0.000 2.202 627 I HA -0.243 3.925 4.170 -0.002 0.000 0.242 627 I C 2.632 178.585 176.117 -0.274 0.000 1.091 627 I CA 1.487 62.644 61.300 -0.237 0.000 1.368 627 I CB -0.297 37.595 38.000 -0.180 0.000 1.058 627 I HN 0.186 nan 8.210 nan 0.000 0.410 628 K N 0.723 120.951 120.400 -0.288 0.000 2.148 628 K HA -0.112 4.207 4.320 -0.002 0.000 0.204 628 K C 1.953 178.345 176.600 -0.347 0.000 1.050 628 K CA 1.625 57.679 56.287 -0.389 0.000 0.942 628 K CB -0.432 31.800 32.500 -0.446 0.000 0.724 628 K HN 0.184 nan 8.250 nan 0.000 0.446 629 T N 0.761 115.122 114.554 -0.321 0.000 2.708 629 T HA -0.138 4.210 4.350 -0.002 0.000 0.266 629 T C 1.549 176.074 174.700 -0.293 0.000 1.037 629 T CA 1.445 63.355 62.100 -0.318 0.000 1.146 629 T CB -0.240 68.363 68.868 -0.442 0.000 0.865 629 T HN 0.360 nan 8.240 nan 0.000 0.435 630 E N 0.886 120.933 120.200 -0.255 0.000 2.077 630 E HA -0.198 4.151 4.350 -0.002 0.000 0.193 630 E C 2.243 178.713 176.600 -0.216 0.000 0.989 630 E CA 1.190 57.431 56.400 -0.264 0.000 0.800 630 E CB -0.087 29.376 29.700 -0.395 0.000 0.746 630 E HN 0.630 nan 8.360 nan 0.000 0.452 631 E N -0.130 119.922 120.200 -0.246 0.000 2.110 631 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 631 E C 2.125 178.585 176.600 -0.233 0.000 0.988 631 E CA 1.089 57.348 56.400 -0.235 0.000 0.804 631 E CB -0.010 29.516 29.700 -0.290 0.000 0.745 631 E HN 0.281 nan 8.360 nan 0.000 0.458 632 M N 0.068 119.508 119.600 -0.268 0.000 2.288 632 M HA -0.062 4.417 4.480 -0.002 0.000 0.266 632 M C 2.121 178.292 176.300 -0.214 0.000 1.072 632 M CA 0.832 55.986 55.300 -0.243 0.000 1.132 632 M CB 0.085 32.533 32.600 -0.254 0.000 1.386 632 M HN 0.200 nan 8.290 nan 0.000 0.432 633 L N -0.929 120.139 121.223 -0.259 0.000 2.072 633 L HA -0.135 4.204 4.340 -0.002 0.000 0.205 633 L C 2.300 179.093 176.870 -0.128 0.000 1.079 633 L CA 0.719 55.383 54.840 -0.295 0.000 0.752 633 L CB -0.591 41.076 42.059 -0.653 0.000 0.906 633 L HN 0.084 nan 8.230 nan 0.000 0.436 634 V N 0.701 120.576 119.914 -0.064 0.000 2.759 634 V HA -0.226 3.893 4.120 -0.002 0.000 0.256 634 V C 2.413 178.472 176.094 -0.058 0.000 1.080 634 V CA 1.855 64.150 62.300 -0.009 0.000 1.101 634 V CB -0.657 31.159 31.823 -0.012 0.000 0.698 634 V HN 0.635 nan 8.190 nan 0.000 0.477 635 E N 0.243 120.385 120.200 -0.097 0.000 2.371 635 E HA -0.142 4.207 4.350 -0.002 0.000 0.194 635 E C 1.809 178.360 176.600 -0.082 0.000 1.012 635 E CA 0.624 56.968 56.400 -0.095 0.000 0.860 635 E CB -0.137 29.491 29.700 -0.119 0.000 0.811 635 E HN 0.513 nan 8.360 nan 0.000 0.502 636 K N -0.064 120.284 120.400 -0.086 0.000 2.426 636 K HA 0.119 4.438 4.320 -0.002 0.000 0.193 636 K C 0.894 177.462 176.600 -0.054 0.000 1.028 636 K CA 0.502 56.743 56.287 -0.076 0.000 1.047 636 K CB 0.632 33.073 32.500 -0.098 0.000 0.821 636 K HN 0.351 nan 8.250 nan 0.000 0.513 637 G N 0.838 109.614 108.800 -0.040 0.000 2.184 637 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.206 637 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.206 637 G C -0.257 174.647 174.900 0.006 0.000 0.995 637 G CA -0.552 44.535 45.100 -0.022 0.000 0.651 637 G HN 0.019 nan 8.290 nan 0.000 0.511 638 L N 1.267 122.511 121.223 0.034 0.000 2.380 638 L HA 0.533 4.871 4.340 -0.002 0.000 0.273 638 L C 0.740 177.721 176.870 0.185 0.000 1.138 638 L CA 0.037 54.953 54.840 0.126 0.000 0.832 638 L CB 1.232 43.391 42.059 0.166 0.000 1.124 638 L HN 0.266 nan 8.230 nan 0.000 0.454 639 K N 2.382 122.842 120.400 0.101 0.000 2.183 639 K HA 0.233 4.552 4.320 -0.002 0.000 0.274 639 K C -0.685 175.774 176.600 -0.236 0.000 1.009 639 K CA -0.560 55.717 56.287 -0.017 0.000 0.888 639 K CB 0.543 33.024 32.500 -0.031 0.000 1.078 639 K HN 0.699 nan 8.250 nan 0.000 0.459 640 H N 2.471 121.226 119.070 -0.525 0.000 2.723 640 H HA 0.400 4.955 4.556 -0.002 0.000 0.294 640 H C -0.192 174.767 175.328 -0.614 0.000 1.079 640 H CA 0.137 55.599 56.048 -0.976 0.000 1.411 640 H CB 0.704 29.990 29.762 -0.793 0.000 1.439 640 H HN 0.925 nan 8.280 nan 0.000 0.474 641 G N 3.310 111.887 108.800 -0.372 0.000 2.353 641 G HA2 -0.161 3.797 3.960 -0.002 0.000 0.308 641 G HA3 -0.161 3.797 3.960 -0.002 0.000 0.308 641 G C -0.410 174.310 174.900 -0.301 0.000 1.418 641 G CA -0.714 44.132 45.100 -0.424 0.000 0.966 641 G HN 0.693 nan 8.290 nan 0.000 0.638 642 W N 0.098 121.300 121.300 -0.165 0.000 2.595 642 W HA 0.107 4.766 4.660 -0.002 0.000 0.257 642 W C 2.040 178.587 176.519 0.047 0.000 1.267 642 W CA 0.867 58.043 57.345 -0.281 0.000 1.300 642 W CB 0.318 29.508 29.460 -0.450 0.000 1.120 642 W HN 0.641 nan 8.180 nan 0.000 0.618 643 D N -1.248 119.284 120.400 0.220 0.000 2.328 643 D HA 0.127 4.766 4.640 -0.002 0.000 0.221 643 D C 1.212 177.615 176.300 0.173 0.000 1.072 643 D CA 0.475 54.591 54.000 0.193 0.000 0.850 643 D CB -0.468 40.394 40.800 0.103 0.000 0.922 643 D HN 0.121 nan 8.370 nan 0.000 0.516 644 G N 0.150 109.067 108.800 0.196 0.000 3.356 644 G HA2 0.174 4.132 3.960 -0.002 0.000 0.178 644 G HA3 0.174 4.132 3.960 -0.002 0.000 0.178 644 G C 0.225 175.226 174.900 0.169 0.000 1.175 644 G CA -0.201 44.973 45.100 0.123 0.000 0.840 644 G HN -0.024 nan 8.290 nan 0.000 0.658 645 D N -0.856 119.589 120.400 0.075 0.000 2.455 645 D HA 0.198 4.837 4.640 -0.002 0.000 0.228 645 D C -0.008 176.304 176.300 0.020 0.000 1.070 645 D CA 0.524 54.530 54.000 0.010 0.000 0.881 645 D CB 1.116 41.961 40.800 0.075 0.000 1.087 645 D HN 0.268 nan 8.370 nan 0.000 0.498 646 F N -0.031 119.919 119.950 -0.001 0.000 2.668 646 F HA 0.736 5.262 4.527 -0.002 0.000 0.309 646 F C -1.963 173.851 175.800 0.023 0.000 1.117 646 F CA -1.738 56.271 58.000 0.014 0.000 0.951 646 F CB 1.500 40.423 39.000 -0.128 0.000 1.323 646 F HN -0.178 nan 8.300 nan 0.000 0.451 647 A N 1.650 124.452 122.820 -0.031 0.000 2.437 647 A HA 0.636 4.954 4.320 -0.002 0.000 0.293 647 A C -2.244 175.292 177.584 -0.080 0.000 1.038 647 A CA -0.590 51.234 52.037 -0.354 0.000 0.708 647 A CB 0.478 18.667 19.000 -1.351 0.000 1.251 647 A HN 0.691 nan 8.150 nan 0.000 0.409 648 Y N 2.479 122.717 120.300 -0.105 0.000 2.544 648 Y HA 0.239 4.788 4.550 -0.002 0.000 0.330 648 Y C 1.421 177.193 175.900 -0.213 0.000 1.136 648 Y CA 0.098 58.123 58.100 -0.126 0.000 1.417 648 Y CB 0.815 39.260 38.460 -0.025 0.000 1.229 648 Y HN 0.727 nan 8.280 nan 0.000 0.532 649 M N 1.878 121.325 119.600 -0.255 0.000 2.564 649 M HA 0.416 4.895 4.480 -0.002 0.000 0.254 649 M C 0.225 176.293 176.300 -0.387 0.000 1.299 649 M CA 0.312 55.355 55.300 -0.428 0.000 1.143 649 M CB 0.744 32.786 32.600 -0.930 0.000 1.427 649 M HN 0.518 nan 8.290 nan 0.000 0.538 650 A N -0.049 122.555 122.820 -0.360 0.000 2.547 650 A HA 0.564 4.882 4.320 -0.002 0.000 0.297 650 A C -2.549 175.052 177.584 0.028 0.000 1.056 650 A CA -0.334 51.623 52.037 -0.134 0.000 0.688 650 A CB 1.045 19.899 19.000 -0.243 0.000 1.282 650 A HN 0.404 nan 8.150 nan 0.000 0.400 651 W N 3.116 124.404 121.300 -0.020 0.000 2.453 651 W HA 0.577 5.235 4.660 -0.003 0.000 0.310 651 W C -1.828 174.733 176.519 0.070 0.000 1.000 651 W CA -0.969 56.386 57.345 0.016 0.000 1.367 651 W CB 1.427 30.923 29.460 0.059 0.000 1.269 651 W HN 0.435 nan 8.180 nan 0.000 0.418 652 V N 9.270 129.098 119.914 -0.143 0.000 2.220 652 V HA 0.219 4.337 4.120 -0.002 0.000 0.265 652 V C 0.835 176.724 176.094 -0.341 0.000 1.078 652 V CA -0.080 61.976 62.300 -0.407 0.000 0.872 652 V CB -0.247 31.506 31.823 -0.116 0.000 1.121 652 V HN 0.772 nan 8.190 nan 0.000 0.460 653 H N 2.390 121.203 119.070 -0.429 0.000 1.551 653 H HA -0.251 4.304 4.556 -0.002 0.000 0.090 653 H C 1.478 176.914 175.328 0.181 0.000 0.602 653 H CA 2.273 58.211 56.048 -0.184 0.000 1.891 653 H CB -1.050 28.666 29.762 -0.075 0.000 2.242 653 H HN 0.796 nan 8.280 nan 0.000 0.959 654 D N 2.661 123.256 120.400 0.326 0.000 2.340 654 D HA 0.100 4.738 4.640 -0.002 0.000 0.217 654 D C 0.578 177.099 176.300 0.369 0.000 1.081 654 D CA 0.523 54.719 54.000 0.326 0.000 0.842 654 D CB 0.727 41.647 40.800 0.199 0.000 0.934 654 D HN 0.636 nan 8.370 nan 0.000 0.511 655 E N 0.825 121.248 120.200 0.372 0.000 2.356 655 E HA 0.482 4.830 4.350 -0.002 0.000 0.275 655 E C -1.126 175.652 176.600 0.298 0.000 0.904 655 E CA -0.971 55.620 56.400 0.320 0.000 0.757 655 E CB 2.326 32.102 29.700 0.126 0.000 1.232 655 E HN 0.188 nan 8.360 nan 0.000 0.442 656 I N -0.218 120.437 120.570 0.142 0.000 2.608 656 I HA 0.503 4.672 4.170 -0.002 0.000 0.295 656 I C -0.999 174.992 176.117 -0.210 0.000 1.049 656 I CA -1.039 60.215 61.300 -0.077 0.000 1.063 656 I CB 2.164 39.939 38.000 -0.374 0.000 1.248 656 I HN 0.274 nan 8.210 nan 0.000 0.424 657 Q N 4.510 124.105 119.800 -0.341 0.000 2.333 657 Q HA 0.589 4.927 4.340 -0.002 0.000 0.265 657 Q C -1.008 174.724 176.000 -0.447 0.000 0.989 657 Q CA -0.698 54.855 55.803 -0.415 0.000 0.842 657 Q CB 2.888 31.225 28.738 -0.669 0.000 1.262 657 Q HN 0.632 nan 8.270 nan 0.000 0.451 658 V N 1.298 121.017 119.914 -0.325 0.000 2.487 658 V HA 0.601 4.719 4.120 -0.002 0.000 0.298 658 V C 0.415 176.468 176.094 -0.069 0.000 1.028 658 V CA -0.923 61.227 62.300 -0.251 0.000 0.860 658 V CB 1.940 33.593 31.823 -0.283 0.000 0.991 658 V HN 0.826 nan 8.190 nan 0.000 0.427 659 G N 2.833 111.651 108.800 0.030 0.000 2.390 659 G HA2 0.466 4.425 3.960 -0.002 0.000 0.270 659 G HA3 0.466 4.425 3.960 -0.002 0.000 0.270 659 G C -0.479 174.677 174.900 0.426 0.000 1.211 659 G CA -0.116 45.175 45.100 0.319 0.000 0.842 659 G HN 0.790 nan 8.290 nan 0.000 0.519 660 C N 2.068 121.549 119.300 0.302 0.000 2.547 660 C HA 0.446 4.905 4.460 -0.002 0.000 0.313 660 C C 1.620 176.162 174.990 -0.748 0.000 1.191 660 C CA -0.782 58.146 59.018 -0.151 0.000 1.474 660 C CB 1.819 29.496 27.740 -0.104 0.000 2.081 660 C HN 1.056 nan 8.230 nan 0.000 0.476 661 R N 1.095 120.711 120.500 -1.474 0.000 2.152 661 R HA -0.059 4.279 4.340 -0.002 0.000 0.232 661 R C 0.816 176.701 176.300 -0.693 0.000 1.117 661 R CA 1.876 56.978 56.100 -1.663 0.000 0.981 661 R CB 0.139 29.816 30.300 -1.040 0.000 0.870 661 R HN 0.943 nan 8.270 nan 0.000 0.451 662 T N -4.810 109.497 114.554 -0.413 0.000 2.843 662 T HA 0.117 4.465 4.350 -0.002 0.000 0.302 662 T C 0.426 175.039 174.700 -0.145 0.000 1.232 662 T CA -0.899 61.072 62.100 -0.214 0.000 1.009 662 T CB 1.656 70.430 68.868 -0.156 0.000 1.254 662 T HN 0.136 nan 8.240 nan 0.000 0.504 663 E N 0.142 120.289 120.200 -0.089 0.000 2.150 663 E HA -0.173 4.175 4.350 -0.002 0.000 0.193 663 E C 1.651 178.213 176.600 -0.063 0.000 0.985 663 E CA 1.340 57.705 56.400 -0.059 0.000 0.814 663 E CB 0.024 29.703 29.700 -0.035 0.000 0.752 663 E HN 0.795 nan 8.360 nan 0.000 0.466 664 E N 0.368 120.526 120.200 -0.069 0.000 2.072 664 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 664 E C 2.092 178.643 176.600 -0.082 0.000 0.985 664 E CA 1.113 57.474 56.400 -0.065 0.000 0.801 664 E CB -0.052 29.611 29.700 -0.061 0.000 0.750 664 E HN 0.352 nan 8.360 nan 0.000 0.452 665 I N 0.859 121.367 120.570 -0.104 0.000 2.315 665 I HA -0.232 3.937 4.170 -0.002 0.000 0.248 665 I C 2.508 178.551 176.117 -0.123 0.000 1.117 665 I CA 0.914 62.142 61.300 -0.120 0.000 1.404 665 I CB -0.261 37.653 38.000 -0.142 0.000 1.071 665 I HN 0.188 nan 8.210 nan 0.000 0.419 666 A N 0.090 122.847 122.820 -0.105 0.000 1.972 666 A HA -0.250 4.069 4.320 -0.002 0.000 0.219 666 A C 2.226 179.763 177.584 -0.080 0.000 1.169 666 A CA 1.507 53.492 52.037 -0.086 0.000 0.635 666 A CB -0.503 18.465 19.000 -0.054 0.000 0.810 666 A HN 0.467 nan 8.150 nan 0.000 0.446 667 Q N -0.689 119.070 119.800 -0.069 0.000 2.172 667 Q HA -0.063 4.276 4.340 -0.002 0.000 0.200 667 Q C 2.043 178.001 176.000 -0.071 0.000 0.964 667 Q CA 1.411 57.181 55.803 -0.056 0.000 0.855 667 Q CB -0.196 28.516 28.738 -0.044 0.000 0.918 667 Q HN 0.503 nan 8.270 nan 0.000 0.444 668 V N -0.109 119.748 119.914 -0.095 0.000 2.453 668 V HA -0.195 3.923 4.120 -0.002 0.000 0.247 668 V C 2.139 178.143 176.094 -0.151 0.000 1.048 668 V CA 1.170 63.401 62.300 -0.114 0.000 1.049 668 V CB -0.313 31.435 31.823 -0.126 0.000 0.672 668 V HN 0.176 nan 8.190 nan 0.000 0.457 669 V N 0.041 119.843 119.914 -0.187 0.000 2.295 669 V HA -0.275 3.844 4.120 -0.002 0.000 0.246 669 V C 2.212 178.211 176.094 -0.158 0.000 1.049 669 V CA 2.282 64.438 62.300 -0.240 0.000 1.024 669 V CB -0.481 31.186 31.823 -0.260 0.000 0.648 669 V HN 0.432 nan 8.190 nan 0.000 0.447 670 I N -0.254 120.258 120.570 -0.098 0.000 2.226 670 I HA -0.267 3.902 4.170 -0.002 0.000 0.245 670 I C 2.562 178.671 176.117 -0.014 0.000 1.100 670 I CA 1.765 63.043 61.300 -0.037 0.000 1.374 670 I CB -0.370 37.620 38.000 -0.017 0.000 1.057 670 I HN 0.388 nan 8.210 nan 0.000 0.413 671 E N 0.079 120.258 120.200 -0.034 0.000 2.106 671 E HA -0.164 4.185 4.350 -0.002 0.000 0.192 671 E C 2.111 178.697 176.600 -0.024 0.000 0.984 671 E CA 1.716 58.103 56.400 -0.022 0.000 0.806 671 E CB -0.035 29.645 29.700 -0.034 0.000 0.750 671 E HN 0.439 nan 8.360 nan 0.000 0.458 672 T N 0.675 115.189 114.554 -0.066 0.000 2.821 672 T HA -0.101 4.247 4.350 -0.002 0.000 0.267 672 T C 1.958 176.636 174.700 -0.036 0.000 1.046 672 T CA 1.005 63.054 62.100 -0.085 0.000 1.139 672 T CB -0.148 68.619 68.868 -0.169 0.000 0.871 672 T HN 0.223 nan 8.240 nan 0.000 0.454 673 A N 1.386 124.201 122.820 -0.008 0.000 1.933 673 A HA -0.165 4.154 4.320 -0.002 0.000 0.218 673 A C 2.284 180.069 177.584 0.335 0.000 1.175 673 A CA 1.897 54.027 52.037 0.153 0.000 0.628 673 A CB -0.687 18.412 19.000 0.165 0.000 0.814 673 A HN 0.426 nan 8.150 nan 0.000 0.444 674 Q N 0.232 120.136 119.800 0.174 0.000 2.084 674 Q HA -0.172 4.167 4.340 -0.002 0.000 0.202 674 Q C 1.798 177.864 176.000 0.109 0.000 0.978 674 Q CA 2.281 58.157 55.803 0.122 0.000 0.844 674 Q CB -0.407 28.370 28.738 0.065 0.000 0.898 674 Q HN 0.749 nan 8.270 nan 0.000 0.426 675 E N -0.311 119.939 120.200 0.083 0.000 2.058 675 E HA -0.205 4.143 4.350 -0.002 0.000 0.194 675 E C 1.905 178.582 176.600 0.128 0.000 0.997 675 E CA 1.109 57.555 56.400 0.076 0.000 0.801 675 E CB -0.290 29.425 29.700 0.025 0.000 0.746 675 E HN 0.506 nan 8.360 nan 0.000 0.450 676 A N 0.992 123.891 122.820 0.133 0.000 1.933 676 A HA -0.204 4.114 4.320 -0.002 0.000 0.218 676 A C 2.112 179.895 177.584 0.331 0.000 1.175 676 A CA 1.558 53.703 52.037 0.180 0.000 0.628 676 A CB -0.410 18.645 19.000 0.091 0.000 0.814 676 A HN 0.198 nan 8.150 nan 0.000 0.444 677 M N -0.346 119.440 119.600 0.311 0.000 2.117 677 M HA -0.091 4.387 4.480 -0.002 0.000 0.262 677 M C 1.900 178.229 176.300 0.048 0.000 1.065 677 M CA 1.463 56.790 55.300 0.045 0.000 1.114 677 M CB -0.435 32.018 32.600 -0.244 0.000 1.361 677 M HN 0.261 nan 8.290 nan 0.000 0.408 678 R N -1.574 118.980 120.500 0.090 0.000 2.115 678 R HA -0.156 4.182 4.340 -0.002 0.000 0.230 678 R C 2.085 178.452 176.300 0.111 0.000 1.111 678 R CA 1.556 57.702 56.100 0.076 0.000 0.976 678 R CB -1.449 28.896 30.300 0.076 0.000 0.870 678 R HN 0.677 nan 8.270 nan 0.000 0.445 679 W N 1.148 122.434 121.300 -0.024 0.000 2.363 679 W HA -0.163 4.496 4.660 -0.002 0.000 0.296 679 W C 1.826 178.303 176.519 -0.070 0.000 1.212 679 W CA 1.019 58.338 57.345 -0.043 0.000 1.260 679 W CB -0.051 29.371 29.460 -0.064 0.000 1.131 679 W HN -0.227 nan 8.180 nan 0.000 0.530 680 V N 0.970 121.001 119.914 0.195 0.000 2.295 680 V HA -0.224 3.894 4.120 -0.002 0.000 0.246 680 V C 2.481 178.481 176.094 -0.157 0.000 1.049 680 V CA 2.154 64.429 62.300 -0.041 0.000 1.024 680 V CB -1.620 30.226 31.823 0.039 0.000 0.648 680 V HN 0.402 nan 8.190 nan 0.000 0.447 681 G N -0.327 108.412 108.800 -0.101 0.000 2.440 681 G HA2 -0.363 3.595 3.960 -0.002 0.000 0.218 681 G HA3 -0.363 3.595 3.960 -0.002 0.000 0.218 681 G C 1.308 176.204 174.900 -0.006 0.000 1.154 681 G CA 1.301 46.367 45.100 -0.056 0.000 0.767 681 G HN 0.619 nan 8.290 nan 0.000 0.552 682 D N -0.578 119.764 120.400 -0.096 0.000 2.117 682 D HA -0.159 4.480 4.640 -0.002 0.000 0.198 682 D C 2.092 178.259 176.300 -0.223 0.000 0.982 682 D CA 1.180 55.099 54.000 -0.135 0.000 0.828 682 D CB -0.309 40.385 40.800 -0.178 0.000 0.967 682 D HN 0.416 nan 8.370 nan 0.000 0.464 683 H N -1.303 117.425 119.070 -0.570 0.000 2.387 683 H HA -0.111 4.443 4.556 -0.002 0.000 0.299 683 H C 0.632 175.773 175.328 -0.312 0.000 1.099 683 H CA 1.661 57.285 56.048 -0.708 0.000 1.315 683 H CB -0.069 28.904 29.762 -1.314 0.000 1.380 683 H HN 0.271 nan 8.280 nan 0.000 0.513 684 W N 1.398 122.575 121.300 -0.204 0.000 3.067 684 W HA 0.295 4.953 4.660 -0.003 0.000 0.417 684 W C -0.114 176.392 176.519 -0.023 0.000 1.029 684 W CA -0.409 56.853 57.345 -0.139 0.000 1.992 684 W CB -0.608 28.828 29.460 -0.040 0.000 1.122 684 W HN 0.237 nan 8.180 nan 0.000 0.681 685 N N 0.622 119.406 118.700 0.140 0.000 2.699 685 N HA -0.276 4.462 4.740 -0.002 0.000 0.256 685 N C -0.440 175.196 175.510 0.210 0.000 0.993 685 N CA 0.950 54.074 53.050 0.123 0.000 0.759 685 N CB -1.886 36.651 38.487 0.084 0.000 0.906 685 N HN -0.008 nan 8.380 nan 0.000 0.541 686 F N 1.048 120.982 119.950 -0.026 0.000 2.538 686 F HA 0.070 4.596 4.527 -0.002 0.000 0.371 686 F C 1.990 177.836 175.800 0.076 0.000 1.087 686 F CA -0.313 57.611 58.000 -0.126 0.000 1.250 686 F CB 0.602 39.495 39.000 -0.178 0.000 1.110 686 F HN -0.031 nan 8.300 nan 0.000 0.570 687 R N 3.043 123.619 120.500 0.126 0.000 2.449 687 R HA 0.140 4.479 4.340 -0.002 0.000 0.262 687 R C -0.778 175.539 176.300 0.027 0.000 1.006 687 R CA 0.128 56.262 56.100 0.058 0.000 1.104 687 R CB -0.332 29.938 30.300 -0.051 0.000 1.206 687 R HN 0.424 nan 8.270 nan 0.000 0.538 688 C N 0.799 120.137 119.300 0.063 0.000 2.701 688 C HA 0.330 4.789 4.460 -0.002 0.000 0.336 688 C C -0.579 174.524 174.990 0.189 0.000 1.123 688 C CA -1.231 57.853 59.018 0.110 0.000 1.326 688 C CB 0.736 28.539 27.740 0.106 0.000 1.833 688 C HN 0.327 nan 8.230 nan 0.000 0.473 689 L N 5.436 126.733 121.223 0.124 0.000 2.490 689 L HA 0.418 4.756 4.340 -0.002 0.000 0.274 689 L C -0.221 176.708 176.870 0.099 0.000 1.201 689 L CA 0.781 55.682 54.840 0.102 0.000 0.869 689 L CB 0.423 42.519 42.059 0.060 0.000 1.123 689 L HN 0.583 nan 8.230 nan 0.000 0.484 690 L N 4.347 125.609 121.223 0.065 0.000 2.334 690 L HA 0.550 4.888 4.340 -0.002 0.000 0.275 690 L C -0.492 176.355 176.870 -0.037 0.000 1.036 690 L CA -0.678 54.163 54.840 0.002 0.000 0.807 690 L CB 1.549 43.562 42.059 -0.076 0.000 1.231 690 L HN 0.594 nan 8.230 nan 0.000 0.438 691 D N -0.155 120.203 120.400 -0.069 0.000 2.579 691 D HA 0.568 5.207 4.640 -0.002 0.000 0.257 691 D C -0.881 175.346 176.300 -0.121 0.000 1.176 691 D CA -0.169 53.791 54.000 -0.067 0.000 0.914 691 D CB 2.739 43.527 40.800 -0.020 0.000 1.431 691 D HN 0.582 nan 8.370 nan 0.000 0.454 692 T N -3.747 110.764 114.554 -0.073 0.000 2.883 692 T HA 0.782 5.131 4.350 -0.002 0.000 0.296 692 T C -0.656 174.057 174.700 0.021 0.000 1.117 692 T CA -0.700 61.367 62.100 -0.056 0.000 1.006 692 T CB 1.823 70.689 68.868 -0.003 0.000 1.191 692 T HN 0.523 nan 8.240 nan 0.000 0.508 693 E N -0.508 119.725 120.200 0.055 0.000 2.292 693 E HA 0.707 5.056 4.350 -0.002 0.000 0.272 693 E C -0.332 176.325 176.600 0.095 0.000 0.881 693 E CA -0.909 55.532 56.400 0.068 0.000 0.754 693 E CB 1.635 31.375 29.700 0.067 0.000 1.201 693 E HN 1.309 nan 8.360 nan 0.000 0.425 694 G N 1.160 110.008 108.800 0.080 0.000 2.482 694 G HA2 0.673 4.632 3.960 -0.002 0.000 0.317 694 G HA3 0.673 4.632 3.960 -0.002 0.000 0.317 694 G C -0.686 174.255 174.900 0.069 0.000 1.241 694 G CA -0.704 44.443 45.100 0.078 0.000 0.967 694 G HN 0.436 nan 8.290 nan 0.000 0.482 695 K N 1.213 121.659 120.400 0.076 0.000 2.468 695 K HA 0.473 4.792 4.320 -0.002 0.000 0.252 695 K C -0.655 175.985 176.600 0.067 0.000 0.932 695 K CA -0.637 55.696 56.287 0.076 0.000 0.794 695 K CB 2.846 35.409 32.500 0.105 0.000 1.241 695 K HN 0.416 nan 8.250 nan 0.000 0.428 696 M N 0.936 120.568 119.600 0.054 0.000 2.598 696 M HA 0.644 5.122 4.480 -0.002 0.000 0.317 696 M C 0.265 176.603 176.300 0.063 0.000 1.201 696 M CA -0.433 54.895 55.300 0.048 0.000 0.971 696 M CB 2.091 34.707 32.600 0.027 0.000 1.657 696 M HN 0.904 nan 8.290 nan 0.000 0.470 697 G N 0.742 109.583 108.800 0.068 0.000 2.320 697 G HA2 0.334 4.293 3.960 -0.002 0.000 0.296 697 G HA3 0.334 4.293 3.960 -0.002 0.000 0.296 697 G C -3.078 171.871 174.900 0.082 0.000 1.306 697 G CA -0.655 44.491 45.100 0.077 0.000 0.836 697 G HN 0.395 nan 8.290 nan 0.000 0.517 698 P HA 0.107 nan 4.420 nan 0.000 0.226 698 P C 0.213 177.553 177.300 0.066 0.000 1.161 698 P CA 0.940 64.073 63.100 0.056 0.000 0.804 698 P CB 0.266 31.979 31.700 0.021 0.000 0.829 699 N N -3.275 115.504 118.700 0.131 0.000 3.204 699 N HA 0.056 4.795 4.740 -0.002 0.000 0.285 699 N C 0.034 175.758 175.510 0.358 0.000 1.536 699 N CA -0.862 52.324 53.050 0.227 0.000 0.832 699 N CB -0.474 38.135 38.487 0.203 0.000 1.645 699 N HN -0.306 nan 8.380 nan 0.000 0.586 700 W N 0.289 121.740 121.300 0.253 0.000 2.425 700 W HA 0.246 4.905 4.660 -0.002 0.000 0.277 700 W C 1.865 178.493 176.519 0.181 0.000 1.231 700 W CA 1.637 59.127 57.345 0.242 0.000 1.248 700 W CB -1.151 28.443 29.460 0.223 0.000 1.117 700 W HN 0.772 nan 8.180 nan 0.000 0.568 701 A N -0.032 123.000 122.820 0.353 0.000 1.930 701 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 701 A C 2.071 179.754 177.584 0.166 0.000 1.175 701 A CA 1.819 53.964 52.037 0.180 0.000 0.627 701 A CB -0.785 18.299 19.000 0.139 0.000 0.815 701 A HN 0.242 nan 8.150 nan 0.000 0.443 702 I N -1.137 119.548 120.570 0.191 0.000 2.716 702 I HA -0.131 4.037 4.170 -0.002 0.000 0.259 702 I C 1.091 177.319 176.117 0.184 0.000 1.172 702 I CA 0.378 61.769 61.300 0.151 0.000 1.478 702 I CB -0.026 38.048 38.000 0.123 0.000 1.104 702 I HN 0.260 nan 8.210 nan 0.000 0.439 703 C N 0.423 119.884 119.300 0.268 0.000 2.559 703 C HA 0.249 4.708 4.460 -0.002 0.000 0.300 703 C C 0.589 175.828 174.990 0.416 0.000 1.288 703 C CA 0.014 59.203 59.018 0.285 0.000 1.699 703 C CB -2.257 25.634 27.740 0.252 0.000 1.819 703 C HN 0.536 nan 8.230 nan 0.000 0.600 704 H N 0.000 119.212 119.070 0.237 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 704 H CA 0.000 56.163 56.048 0.191 0.000 1.023 704 H CB 0.000 29.948 29.762 0.311 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496