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 1ayl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVNNGLTPQ ELEAYGISDV HDIVYNPSYD LLYQEELDPS LTGYERGVLT DATA SEQUENCE NLGAVAVDTG IFTGRSPKDK YIVRDDTTRD TFWWADKGKG KNDNKPLSPE DATA SEQUENCE TWQHLKGLVT RQLSGKRLFV VDAFCGANPD TRLSVRFITE VAWQAHFVKN DATA SEQUENCE MFIRPSDEEL AGFKPDFIVM NGAKCTNPQW KEQGLNSENF VAFNLTERMQ DATA SEQUENCE LIGGTWYGGE MKKGMFSMMN YLLPLKGIAS MHCSANVGEK GDVAVFFGLS DATA SEQUENCE GTGKTTLSTD PKRRLIGDDE HGWDDDGVFN FEGGCYAKTI KLSKEAEPEI DATA SEQUENCE YNAIRRDALL ENVTVREDGT IDFDDGSKTE NTRVSYPIYH IDNIVKPVSK DATA SEQUENCE AGHATKVIFL TADAFGVLPP VSRLTADQTQ YHFLSGFTAK LAXXXXXXXX DATA SEQUENCE PTPTFSACFG AAFLSLHPTQ YAEVLVKRMQ AAGAQAYLVN TGWNGTGKRI DATA SEQUENCE SIKDTRAIID AILNGSLDNA ETFTLPMFNL AIPTELPGVD TKILDPRNTY DATA SEQUENCE ASPEQWQEKA ETLAKLFIDN FDKYTDTPAG AALVAAGPKL 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 0.000 176.373 176.300 0.122 0.000 1.140 1 M CA 0.000 55.356 55.300 0.094 0.000 0.988 1 M CB 0.000 32.667 32.600 0.111 0.000 1.302 2 R N -1.695 118.859 120.500 0.091 0.000 3.650 2 R HA -0.313 nan 4.340 nan 0.000 0.550 2 R C -1.403 174.940 176.300 0.071 0.000 0.241 2 R CA 1.326 57.476 56.100 0.082 0.000 1.706 2 R CB -1.296 29.073 30.300 0.115 0.000 0.943 2 R HN -0.279 8.030 8.270 0.065 0.000 0.591 3 V N -0.309 119.648 119.914 0.072 0.000 5.444 3 V HA 0.176 nan 4.120 nan 0.000 0.274 3 V C -0.647 175.475 176.094 0.047 0.000 1.471 3 V CA -0.797 61.533 62.300 0.050 0.000 0.701 3 V CB 1.087 32.935 31.823 0.042 0.000 1.362 3 V HN 0.191 8.431 8.190 0.083 0.000 0.406 4 N N 1.559 120.281 118.700 0.037 0.000 2.605 4 N HA -0.049 nan 4.740 nan 0.000 0.282 4 N C -1.378 174.154 175.510 0.036 0.000 1.206 4 N CA 0.855 53.919 53.050 0.023 0.000 1.074 4 N CB -1.494 37.006 38.487 0.021 0.000 1.434 4 N HN 0.411 8.812 8.380 0.036 0.000 0.506 5 N N -0.928 117.782 118.700 0.017 0.000 1.874 5 N HA -0.071 nan 4.740 nan 0.000 0.244 5 N C 0.378 175.708 175.510 -0.300 0.000 1.422 5 N CA 0.049 53.111 53.050 0.021 0.000 0.727 5 N CB 0.462 39.083 38.487 0.223 0.000 1.128 5 N HN 0.195 8.548 8.380 -0.012 0.020 0.566 6 G N 0.987 109.602 108.800 -0.307 0.000 2.794 6 G HA2 -0.149 nan 3.960 nan 0.000 0.249 6 G HA3 -0.149 nan 3.960 nan 0.000 0.249 6 G C -0.993 173.522 174.900 -0.642 0.000 1.236 6 G CA 0.095 44.834 45.100 -0.601 0.000 0.880 6 G HN -0.635 7.593 8.290 -0.103 0.000 0.586 7 L N -2.382 118.512 121.223 -0.549 0.000 2.334 7 L HA 0.252 nan 4.340 nan 0.000 0.273 7 L C 0.253 177.016 176.870 -0.179 0.000 1.013 7 L CA -0.624 54.023 54.840 -0.321 0.000 0.816 7 L CB 2.559 44.477 42.059 -0.235 0.000 1.278 7 L HN -0.123 7.821 8.230 -0.476 0.000 0.431 8 T N -1.473 112.995 114.554 -0.143 0.000 2.907 8 T HA 0.482 nan 4.350 nan 0.000 0.284 8 T C -0.418 174.219 174.700 -0.106 0.000 1.004 8 T CA -3.124 58.909 62.100 -0.112 0.000 1.063 8 T CB -0.127 68.682 68.868 -0.099 0.000 0.992 8 T HN 0.381 8.533 8.240 -0.146 0.000 0.483 9 P HA -0.155 nan 4.420 nan 0.000 0.222 9 P C 1.217 178.460 177.300 -0.095 0.000 1.147 9 P CA 2.093 65.144 63.100 -0.082 0.000 0.790 9 P CB 0.152 31.812 31.700 -0.068 0.000 0.780 10 Q N -4.100 115.642 119.800 -0.098 0.000 2.224 10 Q HA -0.204 nan 4.340 nan 0.000 0.203 10 Q C 2.405 178.312 176.000 -0.154 0.000 0.970 10 Q CA 2.916 58.657 55.803 -0.104 0.000 0.865 10 Q CB -1.050 27.637 28.738 -0.084 0.000 0.922 10 Q HN 0.553 8.725 8.270 -0.091 0.044 0.445 11 E N 0.389 120.478 120.200 -0.184 0.000 2.112 11 E HA -0.212 nan 4.350 nan 0.000 0.190 11 E C 2.024 178.317 176.600 -0.511 0.000 0.979 11 E CA 2.303 58.531 56.400 -0.287 0.000 0.814 11 E CB -0.117 29.455 29.700 -0.214 0.000 0.762 11 E HN -0.457 7.661 8.360 -0.150 0.152 0.460 12 L N -2.076 118.949 121.223 -0.330 0.000 2.217 12 L HA -0.234 nan 4.340 nan 0.000 0.211 12 L C 1.713 178.456 176.870 -0.213 0.000 1.107 12 L CA 2.378 57.057 54.840 -0.268 0.000 0.783 12 L CB 0.006 42.035 42.059 -0.050 0.000 0.919 12 L HN -0.768 7.339 8.230 -0.207 0.000 0.442 13 E N -0.052 120.041 120.200 -0.178 0.000 2.204 13 E HA -0.299 nan 4.350 nan 0.000 0.195 13 E C 1.483 178.013 176.600 -0.117 0.000 0.990 13 E CA 2.810 59.144 56.400 -0.109 0.000 0.821 13 E CB -0.132 29.515 29.700 -0.088 0.000 0.750 13 E HN -0.451 7.681 8.360 -0.181 0.120 0.477 14 A N -1.401 121.286 122.820 -0.223 0.000 2.066 14 A HA -0.085 nan 4.320 nan 0.000 0.218 14 A C 1.247 178.805 177.584 -0.043 0.000 1.157 14 A CA 2.108 54.042 52.037 -0.172 0.000 0.670 14 A CB -0.429 18.422 19.000 -0.247 0.000 0.804 14 A HN -0.589 7.221 8.150 -0.325 0.145 0.453 15 Y N -4.702 115.591 120.300 -0.013 0.000 2.519 15 Y HA -0.129 nan 4.550 nan 0.000 0.287 15 Y C 0.502 176.389 175.900 -0.022 0.000 1.128 15 Y CA -1.301 56.791 58.100 -0.014 0.000 1.282 15 Y CB 0.097 38.547 38.460 -0.016 0.000 1.027 15 Y HN -0.696 7.252 8.280 -0.297 0.154 0.551 16 G N -2.757 106.101 108.800 0.096 0.000 2.154 16 G HA2 -0.367 nan 3.960 nan 0.000 0.186 16 G HA3 -0.367 nan 3.960 nan 0.000 0.186 16 G C -0.718 174.195 174.900 0.022 0.000 1.000 16 G CA -0.303 44.820 45.100 0.039 0.000 0.664 16 G HN -0.844 7.294 8.290 0.046 0.179 0.513 17 I N 0.954 121.545 120.570 0.034 0.000 2.331 17 I HA -0.003 nan 4.170 nan 0.000 0.292 17 I C -1.254 174.859 176.117 -0.007 0.000 0.998 17 I CA -0.076 61.234 61.300 0.018 0.000 1.267 17 I CB 0.735 38.763 38.000 0.047 0.000 1.386 17 I HN -0.435 7.807 8.210 0.052 0.000 0.476 18 S N 5.820 121.513 115.700 -0.011 0.000 2.648 18 S HA 0.292 nan 4.470 nan 0.000 0.305 18 S C -0.651 173.943 174.600 -0.010 0.000 1.094 18 S CA -1.302 56.889 58.200 -0.015 0.000 0.983 18 S CB 2.995 66.186 63.200 -0.015 0.000 1.101 18 S HN 0.378 8.682 8.310 -0.010 0.000 0.514 19 D N -1.754 118.642 120.400 -0.007 0.000 2.751 19 D HA -0.351 nan 4.640 nan 0.000 0.233 19 D C -1.626 174.685 176.300 0.019 0.000 1.149 19 D CA 1.445 55.449 54.000 0.006 0.000 0.682 19 D CB -0.411 40.390 40.800 0.001 0.000 1.068 19 D HN 0.326 8.690 8.370 -0.010 0.000 0.429 20 V N -1.460 118.458 119.914 0.008 0.000 2.405 20 V HA -0.040 nan 4.120 nan 0.000 0.264 20 V C 0.287 176.398 176.094 0.029 0.000 1.048 20 V CA 1.088 63.392 62.300 0.007 0.000 0.966 20 V CB -0.179 31.632 31.823 -0.020 0.000 1.015 20 V HN -0.290 7.875 8.190 -0.005 0.022 0.477 21 H N 7.191 126.233 119.070 -0.047 0.000 2.486 21 H HA 0.047 nan 4.556 nan 0.000 0.287 21 H C -0.284 175.014 175.328 -0.049 0.000 1.010 21 H CA 0.861 56.883 56.048 -0.043 0.000 1.324 21 H CB 1.360 31.100 29.762 -0.037 0.000 1.446 21 H HN 0.460 8.814 8.280 0.122 0.000 0.537 22 D N -0.119 120.258 120.400 -0.039 0.000 2.492 22 D HA 0.274 nan 4.640 nan 0.000 0.248 22 D C -1.968 174.262 176.300 -0.116 0.000 1.101 22 D CA -0.116 53.826 54.000 -0.097 0.000 0.840 22 D CB 1.915 42.693 40.800 -0.037 0.000 1.209 22 D HN -0.154 8.228 8.370 0.020 0.000 0.524 23 I N 1.310 121.813 120.570 -0.111 0.000 2.406 23 I HA 0.557 nan 4.170 nan 0.000 0.290 23 I C -0.525 175.556 176.117 -0.059 0.000 0.999 23 I CA -0.847 60.401 61.300 -0.087 0.000 1.124 23 I CB 1.956 39.925 38.000 -0.050 0.000 1.289 23 I HN 0.291 8.433 8.210 -0.113 0.000 0.441 24 V N 8.721 128.589 119.914 -0.078 0.000 2.257 24 V HA 0.279 nan 4.120 nan 0.000 0.269 24 V C -1.725 174.436 176.094 0.111 0.000 1.040 24 V CA -1.229 61.072 62.300 0.003 0.000 0.813 24 V CB -0.435 31.364 31.823 -0.040 0.000 1.065 24 V HN 0.854 8.958 8.190 -0.144 0.000 0.457 25 Y N 8.812 129.108 120.300 -0.007 0.000 2.308 25 Y HA -0.005 nan 4.550 nan 0.000 0.329 25 Y C -1.286 174.604 175.900 -0.016 0.000 1.111 25 Y CA -0.176 57.919 58.100 -0.010 0.000 1.179 25 Y CB 1.313 39.757 38.460 -0.028 0.000 1.201 25 Y HN -0.204 8.193 8.280 0.196 0.000 0.483 26 N N 4.808 123.083 118.700 -0.708 0.000 2.667 26 N HA -0.258 nan 4.740 nan 0.000 0.263 26 N C -2.403 172.959 175.510 -0.247 0.000 1.038 26 N CA 0.258 52.964 53.050 -0.574 0.000 0.749 26 N CB -0.579 37.498 38.487 -0.683 0.000 0.892 26 N HN 0.008 7.898 8.380 -0.816 0.000 0.546 27 P HA 0.025 nan 4.420 nan 0.000 0.268 27 P C -0.694 176.506 177.300 -0.167 0.000 1.204 27 P CA -0.115 62.934 63.100 -0.084 0.000 0.768 27 P CB 0.557 32.249 31.700 -0.013 0.000 0.842 28 S N 1.855 117.490 115.700 -0.108 0.000 2.645 28 S HA -0.049 nan 4.470 nan 0.000 0.266 28 S C 1.177 175.695 174.600 -0.136 0.000 1.258 28 S CA -0.610 57.518 58.200 -0.119 0.000 0.990 28 S CB 1.665 64.852 63.200 -0.021 0.000 0.967 28 S HN 0.091 8.372 8.310 -0.048 0.000 0.556 29 Y N 0.895 121.168 120.300 -0.044 0.000 2.274 29 Y HA -0.370 nan 4.550 nan 0.000 0.290 29 Y C 1.448 177.319 175.900 -0.048 0.000 1.145 29 Y CA 4.328 62.380 58.100 -0.080 0.000 1.203 29 Y CB -0.342 38.101 38.460 -0.029 0.000 0.984 29 Y HN 0.419 8.706 8.280 0.012 0.000 0.533 30 D N -1.060 119.414 120.400 0.123 0.000 2.117 30 D HA -0.245 nan 4.640 nan 0.000 0.198 30 D C 2.265 178.642 176.300 0.128 0.000 0.982 30 D CA 3.521 57.575 54.000 0.090 0.000 0.828 30 D CB -0.815 40.016 40.800 0.051 0.000 0.967 30 D HN 0.145 8.568 8.370 0.116 0.017 0.464 31 L N 0.084 121.358 121.223 0.084 0.000 2.056 31 L HA -0.265 nan 4.340 nan 0.000 0.207 31 L C 1.624 178.550 176.870 0.094 0.000 1.078 31 L CA 3.033 57.928 54.840 0.093 0.000 0.749 31 L CB 0.066 42.171 42.059 0.076 0.000 0.901 31 L HN -0.670 7.593 8.230 0.055 0.000 0.433 32 L N -1.761 119.479 121.223 0.028 0.000 2.042 32 L HA -0.408 nan 4.340 nan 0.000 0.210 32 L C 1.931 178.841 176.870 0.067 0.000 1.076 32 L CA 2.744 57.563 54.840 -0.035 0.000 0.749 32 L CB -1.467 40.463 42.059 -0.215 0.000 0.893 32 L HN -0.397 7.831 8.230 -0.004 0.000 0.432 33 Y N -0.772 119.520 120.300 -0.012 0.000 2.181 33 Y HA -0.601 nan 4.550 nan 0.000 0.288 33 Y C 1.992 177.927 175.900 0.057 0.000 1.146 33 Y CA 4.013 62.136 58.100 0.037 0.000 1.164 33 Y CB 0.036 38.523 38.460 0.044 0.000 0.982 33 Y HN -0.353 8.050 8.280 0.220 0.008 0.515 34 Q N -2.430 117.487 119.800 0.195 0.000 2.079 34 Q HA -0.384 nan 4.340 nan 0.000 0.200 34 Q C 2.382 178.423 176.000 0.067 0.000 0.974 34 Q CA 2.964 58.835 55.803 0.113 0.000 0.840 34 Q CB -0.088 28.735 28.738 0.142 0.000 0.898 34 Q HN -0.555 7.784 8.270 0.255 0.084 0.430 35 E N -1.452 118.806 120.200 0.096 0.000 2.058 35 E HA -0.268 nan 4.350 nan 0.000 0.194 35 E C 3.112 179.772 176.600 0.101 0.000 0.997 35 E CA 2.853 59.326 56.400 0.122 0.000 0.801 35 E CB -0.229 29.565 29.700 0.157 0.000 0.746 35 E HN -0.146 8.279 8.360 0.108 0.000 0.450 36 E N -0.473 119.772 120.200 0.075 0.000 2.150 36 E HA -0.241 nan 4.350 nan 0.000 0.193 36 E C 2.012 178.622 176.600 0.017 0.000 0.985 36 E CA 2.516 58.969 56.400 0.089 0.000 0.814 36 E CB -0.020 29.743 29.700 0.105 0.000 0.752 36 E HN -0.295 8.102 8.360 0.061 0.000 0.466 37 L N -3.883 117.301 121.223 -0.066 0.000 2.591 37 L HA 0.021 nan 4.340 nan 0.000 0.228 37 L C -0.026 176.826 176.870 -0.029 0.000 1.133 37 L CA -0.770 54.010 54.840 -0.100 0.000 0.880 37 L CB -0.412 41.497 42.059 -0.251 0.000 1.033 37 L HN -0.777 7.291 8.230 -0.083 0.112 0.450 38 D N 1.676 122.086 120.400 0.016 0.000 2.426 38 D HA -0.020 nan 4.640 nan 0.000 0.261 38 D C -0.084 176.233 176.300 0.029 0.000 1.245 38 D CA -1.067 52.954 54.000 0.035 0.000 0.917 38 D CB 0.704 41.542 40.800 0.063 0.000 1.123 38 D HN -0.666 7.552 8.370 0.031 0.170 0.508 39 P HA -0.080 nan 4.420 nan 0.000 0.228 39 P C -0.496 176.816 177.300 0.020 0.000 1.151 39 P CA 1.372 64.481 63.100 0.015 0.000 0.770 39 P CB -0.077 31.630 31.700 0.012 0.000 0.786 40 S N -1.789 113.928 115.700 0.029 0.000 2.556 40 S HA -0.020 nan 4.470 nan 0.000 0.216 40 S C 0.253 174.876 174.600 0.038 0.000 0.970 40 S CA 0.531 58.748 58.200 0.029 0.000 0.912 40 S CB 0.631 63.849 63.200 0.030 0.000 0.790 40 S HN -0.415 8.163 8.310 0.034 -0.247 0.504 41 L N 2.585 123.838 121.223 0.049 0.000 2.456 41 L HA -0.129 nan 4.340 nan 0.000 0.272 41 L C -0.823 176.076 176.870 0.048 0.000 1.189 41 L CA 0.787 55.668 54.840 0.068 0.000 0.846 41 L CB 0.676 42.792 42.059 0.095 0.000 1.111 41 L HN -0.690 7.515 8.230 0.047 0.053 0.475 42 T N -1.275 113.309 114.554 0.050 0.000 2.907 42 T HA 0.236 nan 4.350 nan 0.000 0.292 42 T C 0.387 175.083 174.700 -0.007 0.000 1.043 42 T CA -1.195 60.911 62.100 0.010 0.000 1.003 42 T CB 3.266 72.134 68.868 -0.001 0.000 1.084 42 T HN 0.033 8.317 8.240 0.073 0.000 0.483 43 G N 1.367 110.104 108.800 -0.104 0.000 2.562 43 G HA2 -0.335 nan 3.960 nan 0.000 0.250 43 G HA3 -0.335 nan 3.960 nan 0.000 0.250 43 G C 0.111 174.881 174.900 -0.216 0.000 1.269 43 G CA 0.389 45.321 45.100 -0.280 0.000 0.919 43 G HN 0.120 8.346 8.290 -0.105 0.000 0.574 44 Y N 1.898 122.119 120.300 -0.133 0.000 2.574 44 Y HA -0.195 nan 4.550 nan 0.000 0.294 44 Y C 1.504 177.558 175.900 0.257 0.000 1.142 44 Y CA 0.490 58.473 58.100 -0.195 0.000 1.314 44 Y CB -0.402 37.541 38.460 -0.860 0.000 0.991 44 Y HN 0.225 8.105 8.280 -0.668 0.000 0.555 45 E N -1.374 119.119 120.200 0.489 0.000 2.216 45 E HA -0.232 nan 4.350 nan 0.000 0.192 45 E C 0.043 176.904 176.600 0.436 0.000 0.988 45 E CA 0.902 57.671 56.400 0.615 0.000 0.834 45 E CB -0.051 29.907 29.700 0.430 0.000 0.772 45 E HN -0.452 8.039 8.360 0.317 0.059 0.479 46 R N 0.530 121.176 120.500 0.243 0.000 2.489 46 R HA -0.154 nan 4.340 nan 0.000 0.287 46 R C -0.479 175.871 176.300 0.083 0.000 1.053 46 R CA 0.443 56.624 56.100 0.134 0.000 1.036 46 R CB 0.828 31.166 30.300 0.063 0.000 0.966 46 R HN -0.907 7.457 8.270 0.202 0.027 0.432 47 G N 2.370 111.202 108.800 0.054 0.000 2.473 47 G HA2 0.656 nan 3.960 nan 0.000 0.321 47 G HA3 0.656 nan 3.960 nan 0.000 0.321 47 G C -1.559 173.324 174.900 -0.029 0.000 1.200 47 G CA -0.969 44.128 45.100 -0.006 0.000 0.963 47 G HN -0.511 7.818 8.290 0.065 0.000 0.483 48 V N -3.125 116.760 119.914 -0.047 0.000 2.864 48 V HA 0.523 nan 4.120 nan 0.000 0.314 48 V C -1.460 174.604 176.094 -0.050 0.000 1.073 48 V CA -2.316 59.955 62.300 -0.048 0.000 0.956 48 V CB 3.350 35.145 31.823 -0.046 0.000 1.023 48 V HN 0.544 8.700 8.190 -0.056 0.000 0.435 49 L N 3.360 124.555 121.223 -0.046 0.000 2.276 49 L HA 0.613 nan 4.340 nan 0.000 0.286 49 L C -0.027 176.837 176.870 -0.011 0.000 1.061 49 L CA -0.392 54.433 54.840 -0.024 0.000 0.807 49 L CB 1.027 43.075 42.059 -0.019 0.000 1.177 49 L HN -0.018 8.186 8.230 -0.045 0.000 0.429 50 T N 2.886 117.440 114.554 0.000 0.000 2.912 50 T HA 0.506 nan 4.350 nan 0.000 0.280 50 T C 1.273 175.978 174.700 0.008 0.000 0.989 50 T CA -1.798 60.294 62.100 -0.013 0.000 0.995 50 T CB 2.319 71.166 68.868 -0.033 0.000 1.077 50 T HN 0.063 8.313 8.240 0.017 0.000 0.531 51 N N 1.357 120.058 118.700 0.001 0.000 2.453 51 N HA -0.208 nan 4.740 nan 0.000 0.183 51 N C 0.771 176.295 175.510 0.024 0.000 1.041 51 N CA 2.611 55.671 53.050 0.017 0.000 0.900 51 N CB -0.727 37.770 38.487 0.017 0.000 0.961 51 N HN 0.382 8.668 8.380 -0.014 0.085 0.443 52 L N -2.881 118.352 121.223 0.017 0.000 2.554 52 L HA 0.113 nan 4.340 nan 0.000 0.226 52 L C 0.265 177.144 176.870 0.015 0.000 1.137 52 L CA 0.172 55.016 54.840 0.006 0.000 0.863 52 L CB -0.506 41.538 42.059 -0.025 0.000 0.985 52 L HN -0.494 7.689 8.230 0.007 0.052 0.451 53 G N -3.116 105.710 108.800 0.043 0.000 2.195 53 G HA2 -0.356 nan 3.960 nan 0.000 0.246 53 G HA3 -0.356 nan 3.960 nan 0.000 0.246 53 G C -0.973 174.004 174.900 0.129 0.000 0.984 53 G CA 0.081 45.229 45.100 0.081 0.000 0.633 53 G HN -0.353 7.779 8.290 0.041 0.183 0.525 54 A N 0.166 123.041 122.820 0.092 0.000 2.306 54 A HA 0.476 nan 4.320 nan 0.000 0.314 54 A C -0.790 176.851 177.584 0.096 0.000 1.164 54 A CA -1.255 50.852 52.037 0.117 0.000 0.822 54 A CB 1.717 20.765 19.000 0.079 0.000 1.130 54 A HN -0.804 7.303 8.150 0.054 0.075 0.496 55 V N -4.724 115.263 119.914 0.121 0.000 2.607 55 V HA 0.699 nan 4.120 nan 0.000 0.289 55 V C -1.447 174.655 176.094 0.014 0.000 1.053 55 V CA -2.779 59.553 62.300 0.052 0.000 0.996 55 V CB 0.579 32.438 31.823 0.059 0.000 0.995 55 V HN 0.178 8.481 8.190 0.188 0.000 0.476 56 A N 3.539 126.338 122.820 -0.036 0.000 2.342 56 A HA 0.979 nan 4.320 nan 0.000 0.323 56 A C -2.185 175.319 177.584 -0.132 0.000 1.125 56 A CA -1.686 50.303 52.037 -0.079 0.000 0.785 56 A CB 2.055 21.007 19.000 -0.081 0.000 1.221 56 A HN 0.645 8.771 8.150 -0.039 0.000 0.463 57 V N -3.737 116.039 119.914 -0.229 0.000 3.040 57 V HA 0.763 nan 4.120 nan 0.000 0.312 57 V C -2.047 173.829 176.094 -0.364 0.000 1.115 57 V CA -2.793 59.287 62.300 -0.367 0.000 0.998 57 V CB 3.252 34.601 31.823 -0.790 0.000 1.042 57 V HN 0.553 8.610 8.190 -0.222 0.000 0.433 58 D N 2.605 122.821 120.400 -0.305 0.000 2.217 58 D HA 0.477 nan 4.640 nan 0.000 0.243 58 D C -0.102 176.010 176.300 -0.312 0.000 1.054 58 D CA -0.501 53.362 54.000 -0.228 0.000 0.838 58 D CB 3.081 43.833 40.800 -0.081 0.000 1.162 58 D HN 0.399 8.621 8.370 -0.247 0.000 0.472 59 T N -2.352 112.044 114.554 -0.263 0.000 3.194 59 T HA 0.048 nan 4.350 nan 0.000 0.251 59 T C 0.491 175.022 174.700 -0.281 0.000 1.132 59 T CA -0.428 61.628 62.100 -0.072 0.000 1.028 59 T CB 0.083 69.062 68.868 0.184 0.000 0.976 59 T HN 0.255 8.374 8.240 -0.202 0.000 0.535 60 G N 1.797 110.085 108.800 -0.854 0.000 2.508 60 G HA2 -0.240 nan 3.960 nan 0.000 0.220 60 G HA3 -0.240 nan 3.960 nan 0.000 0.220 60 G C -0.467 174.023 174.900 -0.682 0.000 1.287 60 G CA -0.124 44.047 45.100 -1.548 0.000 0.916 60 G HN -0.369 7.418 8.290 -0.708 0.077 0.574 61 I N -2.151 118.134 120.570 -0.475 0.000 2.493 61 I HA -0.146 nan 4.170 nan 0.000 0.254 61 I C -0.383 175.506 176.117 -0.381 0.000 1.160 61 I CA 1.645 62.748 61.300 -0.328 0.000 1.445 61 I CB 0.190 38.018 38.000 -0.287 0.000 1.086 61 I HN -0.196 7.710 8.210 -0.506 0.000 0.433 62 F N -0.423 119.445 119.950 -0.137 0.000 2.405 62 F HA 0.061 nan 4.527 nan 0.000 0.355 62 F C -0.414 175.296 175.800 -0.151 0.000 1.121 62 F CA -0.227 57.712 58.000 -0.102 0.000 1.112 62 F CB 0.862 39.858 39.000 -0.006 0.000 1.126 62 F HN -0.692 7.627 8.300 0.077 0.028 0.481 63 T N 3.936 118.431 114.554 -0.099 0.000 3.182 63 T HA 0.175 nan 4.350 nan 0.000 0.277 63 T C -1.479 172.877 174.700 -0.574 0.000 1.013 63 T CA -1.275 60.691 62.100 -0.224 0.000 0.900 63 T CB 0.297 69.081 68.868 -0.141 0.000 1.098 63 T HN 0.487 8.665 8.240 -0.105 0.000 0.543 64 G N 0.504 108.832 108.800 -0.786 0.000 2.550 64 G HA2 0.143 nan 3.960 nan 0.000 0.293 64 G HA3 0.143 nan 3.960 nan 0.000 0.293 64 G C -2.557 172.078 174.900 -0.441 0.000 1.402 64 G CA -0.263 44.318 45.100 -0.865 0.000 0.784 64 G HN -0.659 7.298 8.290 -0.433 0.073 0.482 65 R N -1.249 119.227 120.500 -0.040 0.000 2.738 65 R HA 0.103 nan 4.340 nan 0.000 0.268 65 R C -0.563 175.806 176.300 0.115 0.000 1.062 65 R CA 0.761 56.964 56.100 0.172 0.000 1.158 65 R CB 0.685 31.154 30.300 0.281 0.000 1.046 65 R HN 0.113 8.397 8.270 0.023 0.000 0.493 66 S N 0.602 116.352 115.700 0.084 0.000 2.252 66 S HA 0.484 nan 4.470 nan 0.000 0.187 66 S C -0.314 174.320 174.600 0.057 0.000 1.587 66 S CA -3.135 55.110 58.200 0.076 0.000 1.215 66 S CB 0.810 64.000 63.200 -0.018 0.000 1.085 66 S HN 0.273 8.925 8.310 0.080 -0.294 0.466 67 P HA -0.126 nan 4.420 nan 0.000 0.222 67 P C 0.730 178.014 177.300 -0.026 0.000 1.147 67 P CA 1.476 64.589 63.100 0.021 0.000 0.790 67 P CB 0.316 32.015 31.700 -0.002 0.000 0.780 68 K N -4.078 116.318 120.400 -0.005 0.000 2.365 68 K HA -0.175 nan 4.320 nan 0.000 0.199 68 K C 0.161 176.742 176.600 -0.033 0.000 1.045 68 K CA 2.253 58.527 56.287 -0.021 0.000 0.962 68 K CB -0.619 31.897 32.500 0.026 0.000 0.759 68 K HN 0.162 8.392 8.250 0.027 0.036 0.469 69 D N -2.883 117.521 120.400 0.007 0.000 2.402 69 D HA 0.196 nan 4.640 nan 0.000 0.216 69 D C -1.597 174.765 176.300 0.102 0.000 1.128 69 D CA -0.199 53.874 54.000 0.121 0.000 0.833 69 D CB 0.883 41.749 40.800 0.111 0.000 0.971 69 D HN -0.537 7.678 8.370 0.016 0.164 0.503 70 K N 1.154 121.491 120.400 -0.106 0.000 2.258 70 K HA 0.223 nan 4.320 nan 0.000 0.284 70 K C -1.826 174.617 176.600 -0.263 0.000 1.051 70 K CA 0.197 56.491 56.287 0.012 0.000 0.923 70 K CB 0.853 33.407 32.500 0.091 0.000 1.046 70 K HN -0.783 7.200 8.250 -0.153 0.175 0.474 71 Y N 3.866 124.350 120.300 0.306 0.000 2.524 71 Y HA 0.454 nan 4.550 nan 0.000 0.347 71 Y C -1.169 174.927 175.900 0.326 0.000 1.005 71 Y CA -1.570 56.691 58.100 0.269 0.000 1.025 71 Y CB 4.520 43.115 38.460 0.226 0.000 1.275 71 Y HN 0.509 9.088 8.280 0.499 0.000 0.460 72 I N 0.288 121.076 120.570 0.363 0.000 2.466 72 I HA 0.439 nan 4.170 nan 0.000 0.289 72 I C -0.992 175.240 176.117 0.192 0.000 1.026 72 I CA -1.875 59.528 61.300 0.172 0.000 1.078 72 I CB 2.045 39.865 38.000 -0.299 0.000 1.249 72 I HN 0.776 9.215 8.210 0.381 0.000 0.429 73 V N 7.188 127.141 119.914 0.066 0.000 2.485 73 V HA -0.141 nan 4.120 nan 0.000 0.287 73 V C -0.800 175.306 176.094 0.020 0.000 1.022 73 V CA 0.767 63.063 62.300 -0.006 0.000 1.067 73 V CB -1.034 30.669 31.823 -0.200 0.000 0.967 73 V HN 0.507 8.706 8.190 0.015 0.000 0.479 74 R N 9.395 129.858 120.500 -0.061 0.000 2.196 74 R HA 0.146 nan 4.340 nan 0.000 0.340 74 R C -1.234 175.012 176.300 -0.090 0.000 1.043 74 R CA -0.174 55.833 56.100 -0.155 0.000 0.883 74 R CB 0.502 30.432 30.300 -0.616 0.000 1.078 74 R HN 0.469 8.684 8.270 -0.092 0.000 0.462 75 D N 7.094 127.490 120.400 -0.007 0.000 2.867 75 D HA 0.235 nan 4.640 nan 0.000 0.308 75 D C -0.757 175.566 176.300 0.039 0.000 1.202 75 D CA -1.120 52.873 54.000 -0.011 0.000 1.035 75 D CB 1.452 42.230 40.800 -0.035 0.000 1.427 75 D HN -0.056 8.357 8.370 0.071 0.000 0.570 76 D N -3.591 116.828 120.400 0.031 0.000 2.392 76 D HA -0.076 nan 4.640 nan 0.000 0.228 76 D C 0.379 176.729 176.300 0.083 0.000 1.003 76 D CA 1.719 55.751 54.000 0.053 0.000 0.917 76 D CB -0.423 40.398 40.800 0.034 0.000 0.890 76 D HN 0.293 8.669 8.370 0.010 0.000 0.532 77 T N -1.290 113.318 114.554 0.090 0.000 3.034 77 T HA 0.207 nan 4.350 nan 0.000 0.248 77 T C 0.376 175.195 174.700 0.198 0.000 1.040 77 T CA 1.888 64.061 62.100 0.122 0.000 1.107 77 T CB 1.094 70.013 68.868 0.085 0.000 0.932 77 T HN -0.278 8.194 8.240 0.067 -0.192 0.474 78 T N -2.400 112.278 114.554 0.207 0.000 3.001 78 T HA 0.336 nan 4.350 nan 0.000 0.251 78 T C 1.146 176.162 174.700 0.525 0.000 1.040 78 T CA 0.698 62.985 62.100 0.312 0.000 0.985 78 T CB 0.944 69.906 68.868 0.157 0.000 1.011 78 T HN -0.449 8.081 8.240 0.160 -0.194 0.509 79 R N 2.646 123.400 120.500 0.423 0.000 2.122 79 R HA -0.399 nan 4.340 nan 0.000 0.236 79 R C 1.478 178.078 176.300 0.500 0.000 1.129 79 R CA 4.322 60.683 56.100 0.436 0.000 0.925 79 R CB -0.231 30.175 30.300 0.176 0.000 0.850 79 R HN -0.101 8.335 8.270 0.277 0.000 0.431 80 D N -5.088 115.506 120.400 0.322 0.000 2.340 80 D HA -0.010 nan 4.640 nan 0.000 0.220 80 D C 0.372 176.822 176.300 0.250 0.000 1.039 80 D CA 1.888 56.044 54.000 0.260 0.000 0.866 80 D CB -0.352 40.547 40.800 0.164 0.000 0.913 80 D HN 0.042 8.569 8.370 0.262 0.000 0.523 81 T N -0.794 113.943 114.554 0.306 0.000 2.964 81 T HA 0.058 nan 4.350 nan 0.000 0.249 81 T C -0.641 174.195 174.700 0.226 0.000 1.000 81 T CA 0.331 62.580 62.100 0.248 0.000 0.992 81 T CB 1.367 70.398 68.868 0.271 0.000 1.087 81 T HN -0.761 7.644 8.240 0.383 0.065 0.489 82 F N 1.287 121.236 119.950 -0.002 0.000 2.418 82 F HA -0.010 nan 4.527 nan 0.000 0.341 82 F C -0.067 175.481 175.800 -0.419 0.000 1.120 82 F CA 0.330 58.091 58.000 -0.399 0.000 1.232 82 F CB 2.228 40.511 39.000 -1.195 0.000 1.175 82 F HN -0.617 7.918 8.300 0.391 0.000 0.569 83 W N 8.604 129.678 121.300 -0.376 0.000 2.247 83 W HA 0.029 nan 4.660 nan 0.000 0.394 83 W C -2.113 174.369 176.519 -0.062 0.000 0.939 83 W CA -1.870 55.397 57.345 -0.129 0.000 1.548 83 W CB -1.030 28.378 29.460 -0.087 0.000 1.610 83 W HN 0.100 8.095 8.180 -0.308 0.000 0.336 84 W N 3.905 125.321 121.300 0.194 0.000 2.170 84 W HA -0.235 nan 4.660 nan 0.000 0.336 84 W C 0.087 176.507 176.519 -0.165 0.000 1.283 84 W CA -1.100 56.268 57.345 0.038 0.000 1.224 84 W CB 0.254 29.762 29.460 0.080 0.000 1.132 84 W HN -0.611 7.683 8.180 0.191 0.000 0.571 85 A N 4.161 127.044 122.820 0.105 0.000 2.015 85 A HA -0.268 nan 4.320 nan 0.000 0.219 85 A C -0.056 177.534 177.584 0.009 0.000 1.163 85 A CA 2.458 54.457 52.037 -0.063 0.000 0.646 85 A CB -0.204 18.765 19.000 -0.052 0.000 0.806 85 A HN 0.091 8.402 8.150 0.268 0.000 0.448 86 D N -5.701 114.753 120.400 0.091 0.000 2.388 86 D HA 0.055 nan 4.640 nan 0.000 0.221 86 D C -0.123 176.224 176.300 0.078 0.000 1.133 86 D CA 0.184 54.220 54.000 0.059 0.000 0.831 86 D CB -1.049 39.770 40.800 0.031 0.000 0.962 86 D HN 0.023 8.462 8.370 0.174 0.035 0.502 87 K N -0.693 119.787 120.400 0.133 0.000 2.556 87 K HA 0.146 nan 4.320 nan 0.000 0.201 87 K C 1.113 177.811 176.600 0.163 0.000 1.423 87 K CA 0.273 56.651 56.287 0.151 0.000 1.010 87 K CB 2.267 34.898 32.500 0.218 0.000 1.409 87 K HN -0.693 7.581 8.250 0.146 0.064 0.538 88 G N 0.061 108.985 108.800 0.208 0.000 2.486 88 G HA2 -0.153 nan 3.960 nan 0.000 0.272 88 G HA3 -0.153 nan 3.960 nan 0.000 0.272 88 G C -0.703 174.307 174.900 0.184 0.000 1.426 88 G CA 0.253 45.517 45.100 0.272 0.000 1.058 88 G HN -0.657 7.750 8.290 0.194 0.000 0.531 89 K N -1.334 119.198 120.400 0.220 0.000 2.399 89 K HA 0.129 nan 4.320 nan 0.000 0.196 89 K C 0.169 176.827 176.600 0.097 0.000 1.103 89 K CA 0.008 56.360 56.287 0.109 0.000 0.986 89 K CB 0.439 32.974 32.500 0.058 0.000 0.952 89 K HN 0.112 8.568 8.250 0.342 0.000 0.541 90 G N -0.628 108.317 108.800 0.241 0.000 2.377 90 G HA2 0.038 nan 3.960 nan 0.000 0.299 90 G HA3 0.038 nan 3.960 nan 0.000 0.299 90 G C -0.783 174.165 174.900 0.080 0.000 1.150 90 G CA -1.003 44.237 45.100 0.233 0.000 0.847 90 G HN -0.445 8.098 8.290 0.423 0.000 0.501 91 K N 1.676 122.077 120.400 0.002 0.000 2.350 91 K HA -0.043 nan 4.320 nan 0.000 0.279 91 K C -0.864 175.585 176.600 -0.252 0.000 1.027 91 K CA 0.264 56.489 56.287 -0.105 0.000 0.969 91 K CB 0.865 33.334 32.500 -0.052 0.000 0.954 91 K HN 0.162 8.429 8.250 0.029 0.000 0.474 92 N N 1.974 120.451 118.700 -0.372 0.000 3.116 92 N HA 0.147 nan 4.740 nan 0.000 0.244 92 N C -0.990 174.341 175.510 -0.299 0.000 1.485 92 N CA -0.528 52.231 53.050 -0.486 0.000 0.884 92 N CB 2.392 40.194 38.487 -1.143 0.000 1.415 92 N HN -0.208 7.999 8.380 -0.288 0.000 0.524 93 D N -2.988 117.268 120.400 -0.239 0.000 2.363 93 D HA 0.076 nan 4.640 nan 0.000 0.214 93 D C 0.029 176.259 176.300 -0.117 0.000 1.093 93 D CA 0.836 54.744 54.000 -0.154 0.000 0.837 93 D CB 0.279 41.011 40.800 -0.115 0.000 0.948 93 D HN 0.360 8.577 8.370 -0.255 0.000 0.507 94 N N 2.600 121.233 118.700 -0.112 0.000 2.971 94 N HA -0.094 nan 4.740 nan 0.000 0.294 94 N C -1.222 174.371 175.510 0.138 0.000 1.210 94 N CA 0.336 53.395 53.050 0.015 0.000 1.157 94 N CB -0.870 37.648 38.487 0.053 0.000 1.450 94 N HN -0.296 8.128 8.380 -0.221 -0.176 0.527 95 K N 2.821 123.262 120.400 0.068 0.000 2.322 95 K HA 0.233 nan 4.320 nan 0.000 0.283 95 K C -1.969 174.826 176.600 0.326 0.000 1.042 95 K CA -2.173 54.194 56.287 0.135 0.000 0.958 95 K CB 0.053 32.504 32.500 -0.082 0.000 0.984 95 K HN -0.174 8.002 8.250 -0.052 0.043 0.473 96 P HA 0.283 nan 4.420 nan 0.000 0.271 96 P C -1.514 175.867 177.300 0.134 0.000 1.216 96 P CA -0.204 62.925 63.100 0.049 0.000 0.776 96 P CB 0.546 32.043 31.700 -0.338 0.000 0.881 97 L N 3.151 124.427 121.223 0.089 0.000 2.408 97 L HA 0.413 nan 4.340 nan 0.000 0.268 97 L C -1.984 174.891 176.870 0.008 0.000 0.986 97 L CA -1.385 53.502 54.840 0.078 0.000 0.820 97 L CB 3.682 45.843 42.059 0.169 0.000 1.303 97 L HN 0.312 8.566 8.230 0.041 0.000 0.411 98 S N 3.977 119.674 115.700 -0.005 0.000 2.580 98 S HA 0.236 nan 4.470 nan 0.000 0.274 98 S C -0.679 173.946 174.600 0.042 0.000 1.329 98 S CA -2.378 55.815 58.200 -0.011 0.000 1.036 98 S CB 0.248 63.434 63.200 -0.023 0.000 0.919 98 S HN 0.189 8.491 8.310 -0.013 0.000 0.515 99 P HA -0.173 nan 4.420 nan 0.000 0.218 99 P C 1.341 178.722 177.300 0.135 0.000 1.148 99 P CA 2.597 65.739 63.100 0.070 0.000 0.822 99 P CB 0.055 31.764 31.700 0.015 0.000 0.784 100 E N -3.094 117.148 120.200 0.070 0.000 2.072 100 E HA -0.218 nan 4.350 nan 0.000 0.191 100 E C 2.665 179.299 176.600 0.057 0.000 0.985 100 E CA 3.642 60.074 56.400 0.053 0.000 0.801 100 E CB -0.822 28.883 29.700 0.009 0.000 0.750 100 E HN 0.478 8.831 8.360 0.037 0.029 0.452 101 T N 3.064 117.643 114.554 0.041 0.000 2.867 101 T HA -0.162 nan 4.350 nan 0.000 0.268 101 T C 1.221 175.944 174.700 0.038 0.000 1.057 101 T CA 4.392 66.498 62.100 0.011 0.000 1.136 101 T CB -0.632 68.210 68.868 -0.044 0.000 0.874 101 T HN -0.529 7.732 8.240 0.034 0.000 0.466 102 W N 2.005 123.264 121.300 -0.068 0.000 2.358 102 W HA -0.508 nan 4.660 nan 0.000 0.303 102 W C 0.797 177.274 176.519 -0.070 0.000 1.208 102 W CA 3.636 60.935 57.345 -0.076 0.000 1.274 102 W CB -0.153 29.279 29.460 -0.046 0.000 1.138 102 W HN -0.272 8.042 8.180 0.249 0.016 0.515 103 Q N -3.240 116.568 119.800 0.013 0.000 2.170 103 Q HA -0.503 nan 4.340 nan 0.000 0.203 103 Q C 2.337 178.244 176.000 -0.156 0.000 0.976 103 Q CA 3.262 59.020 55.803 -0.074 0.000 0.858 103 Q CB -0.380 28.394 28.738 0.060 0.000 0.907 103 Q HN -0.450 7.940 8.270 0.201 0.000 0.433 104 H N 1.127 120.078 119.070 -0.198 0.000 2.357 104 H HA -0.208 nan 4.556 nan 0.000 0.301 104 H C 2.109 177.255 175.328 -0.304 0.000 1.082 104 H CA 3.351 59.278 56.048 -0.203 0.000 1.342 104 H CB 0.066 29.729 29.762 -0.166 0.000 1.389 104 H HN -0.694 7.487 8.280 0.030 0.117 0.511 105 L N -1.703 119.205 121.223 -0.525 0.000 2.093 105 L HA -0.385 nan 4.340 nan 0.000 0.208 105 L C 1.819 178.311 176.870 -0.629 0.000 1.085 105 L CA 2.686 57.067 54.840 -0.765 0.000 0.755 105 L CB -0.378 41.118 42.059 -0.939 0.000 0.904 105 L HN -0.048 7.893 8.230 -0.357 0.075 0.435 106 K N -0.395 119.592 120.400 -0.687 0.000 2.148 106 K HA -0.296 nan 4.320 nan 0.000 0.204 106 K C 2.424 178.833 176.600 -0.318 0.000 1.050 106 K CA 3.480 59.433 56.287 -0.557 0.000 0.942 106 K CB -0.309 31.822 32.500 -0.615 0.000 0.724 106 K HN 0.179 7.977 8.250 -0.754 0.000 0.446 107 G N -1.675 106.943 108.800 -0.304 0.000 2.408 107 G HA2 -0.198 nan 3.960 nan 0.000 0.217 107 G HA3 -0.198 nan 3.960 nan 0.000 0.217 107 G C 1.354 176.134 174.900 -0.200 0.000 1.150 107 G CA 1.828 46.801 45.100 -0.211 0.000 0.776 107 G HN -0.505 7.460 8.290 -0.360 0.109 0.542 108 L N 1.152 122.213 121.223 -0.271 0.000 2.017 108 L HA -0.377 nan 4.340 nan 0.000 0.208 108 L C 2.211 179.031 176.870 -0.083 0.000 1.073 108 L CA 2.933 57.668 54.840 -0.174 0.000 0.745 108 L CB -0.164 41.788 42.059 -0.178 0.000 0.894 108 L HN -0.674 7.231 8.230 -0.388 0.092 0.432 109 V N -1.841 118.024 119.914 -0.081 0.000 2.323 109 V HA -0.431 nan 4.120 nan 0.000 0.244 109 V C 2.147 178.196 176.094 -0.074 0.000 1.041 109 V CA 4.512 66.776 62.300 -0.061 0.000 1.025 109 V CB -0.896 30.890 31.823 -0.062 0.000 0.656 109 V HN -0.352 7.758 8.190 -0.134 0.000 0.451 110 T N -2.305 112.197 114.554 -0.086 0.000 2.788 110 T HA -0.361 nan 4.350 nan 0.000 0.268 110 T C 2.111 176.784 174.700 -0.045 0.000 1.044 110 T CA 3.863 65.930 62.100 -0.055 0.000 1.139 110 T CB -0.578 68.261 68.868 -0.048 0.000 0.867 110 T HN 0.025 8.194 8.240 -0.117 0.000 0.454 111 R N 0.388 120.854 120.500 -0.055 0.000 2.092 111 R HA -0.289 nan 4.340 nan 0.000 0.231 111 R C 1.969 178.247 176.300 -0.037 0.000 1.119 111 R CA 2.894 58.968 56.100 -0.043 0.000 0.970 111 R CB -0.210 30.061 30.300 -0.047 0.000 0.864 111 R HN -0.442 7.773 8.270 -0.073 0.011 0.440 112 Q N -0.737 119.038 119.800 -0.042 0.000 2.119 112 Q HA -0.189 nan 4.340 nan 0.000 0.201 112 Q C 2.266 178.239 176.000 -0.046 0.000 0.972 112 Q CA 2.392 58.170 55.803 -0.041 0.000 0.847 112 Q CB -0.449 28.258 28.738 -0.051 0.000 0.903 112 Q HN -0.587 7.570 8.270 -0.050 0.083 0.433 113 L N -3.403 117.792 121.223 -0.047 0.000 2.509 113 L HA -0.046 nan 4.340 nan 0.000 0.222 113 L C -0.397 176.456 176.870 -0.029 0.000 1.123 113 L CA 0.144 54.959 54.840 -0.043 0.000 0.856 113 L CB 0.030 42.066 42.059 -0.039 0.000 0.985 113 L HN -0.530 7.654 8.230 -0.048 0.017 0.456 114 S N -1.461 114.224 115.700 -0.025 0.000 2.564 114 S HA -0.081 nan 4.470 nan 0.000 0.278 114 S C 1.116 175.705 174.600 -0.018 0.000 1.333 114 S CA 1.866 60.055 58.200 -0.018 0.000 1.048 114 S CB 0.428 63.617 63.200 -0.018 0.000 0.900 114 S HN -0.969 7.161 8.310 -0.028 0.163 0.505 115 G N 3.657 112.450 108.800 -0.012 0.000 2.179 115 G HA2 -0.459 nan 3.960 nan 0.000 0.257 115 G HA3 -0.459 nan 3.960 nan 0.000 0.257 115 G C -1.012 173.880 174.900 -0.013 0.000 1.010 115 G CA 0.948 46.043 45.100 -0.009 0.000 0.736 115 G HN 0.466 8.751 8.290 -0.009 0.000 0.513 116 K N -1.433 118.953 120.400 -0.022 0.000 2.295 116 K HA 0.299 nan 4.320 nan 0.000 0.239 116 K C -1.344 175.221 176.600 -0.059 0.000 0.991 116 K CA -2.405 53.860 56.287 -0.037 0.000 0.845 116 K CB 2.308 34.780 32.500 -0.046 0.000 1.197 116 K HN -0.869 7.328 8.250 -0.023 0.039 0.441 117 R N 0.888 121.333 120.500 -0.091 0.000 2.267 117 R HA 0.087 nan 4.340 nan 0.000 0.319 117 R C -0.788 175.347 176.300 -0.275 0.000 1.067 117 R CA -0.129 55.869 56.100 -0.169 0.000 0.936 117 R CB -0.168 30.023 30.300 -0.182 0.000 1.006 117 R HN 0.190 8.414 8.270 -0.075 0.000 0.452 118 L N 6.603 127.656 121.223 -0.284 0.000 2.334 118 L HA 0.450 nan 4.340 nan 0.000 0.273 118 L C -1.817 174.838 176.870 -0.359 0.000 1.013 118 L CA -1.083 53.601 54.840 -0.260 0.000 0.816 118 L CB 3.516 45.522 42.059 -0.088 0.000 1.278 118 L HN 0.195 8.290 8.230 -0.226 0.000 0.431 119 F N 2.786 122.727 119.950 -0.015 0.000 2.427 119 F HA 0.485 nan 4.527 nan 0.000 0.346 119 F C -1.067 174.732 175.800 -0.003 0.000 1.120 119 F CA -0.892 57.097 58.000 -0.019 0.000 1.033 119 F CB 1.516 40.488 39.000 -0.046 0.000 1.126 119 F HN 0.643 8.970 8.300 0.044 0.000 0.462 120 V N 4.777 124.796 119.914 0.174 0.000 2.407 120 V HA 0.571 nan 4.120 nan 0.000 0.291 120 V C -1.905 174.180 176.094 -0.015 0.000 1.018 120 V CA -0.810 61.570 62.300 0.134 0.000 0.842 120 V CB 1.450 33.418 31.823 0.242 0.000 0.996 120 V HN 0.619 8.909 8.190 0.166 0.000 0.426 121 V N 7.692 127.598 119.914 -0.014 0.000 2.407 121 V HA 0.430 nan 4.120 nan 0.000 0.291 121 V C -1.605 174.433 176.094 -0.095 0.000 1.018 121 V CA -1.411 60.802 62.300 -0.145 0.000 0.842 121 V CB 2.236 33.977 31.823 -0.137 0.000 0.996 121 V HN 0.446 8.689 8.190 0.088 0.000 0.426 122 D N 8.308 128.498 120.400 -0.350 0.000 2.198 122 D HA 0.677 nan 4.640 nan 0.000 0.245 122 D C -1.258 174.744 176.300 -0.497 0.000 1.079 122 D CA -0.709 52.956 54.000 -0.558 0.000 0.854 122 D CB 1.401 41.446 40.800 -1.259 0.000 1.148 122 D HN 0.282 8.345 8.370 -0.511 0.000 0.456 123 A N 0.950 123.635 122.820 -0.225 0.000 2.588 123 A HA 0.716 nan 4.320 nan 0.000 0.290 123 A C -2.431 175.151 177.584 -0.004 0.000 1.136 123 A CA -0.909 51.049 52.037 -0.131 0.000 0.681 123 A CB 3.643 22.681 19.000 0.063 0.000 1.282 123 A HN 0.775 8.914 8.150 -0.018 0.000 0.421 124 F N -2.962 117.195 119.950 0.345 0.000 2.492 124 F HA 0.734 nan 4.527 nan 0.000 0.327 124 F C -1.657 174.359 175.800 0.360 0.000 1.079 124 F CA -2.174 56.013 58.000 0.311 0.000 0.967 124 F CB 3.779 42.928 39.000 0.248 0.000 1.169 124 F HN -0.132 8.314 8.300 0.244 0.000 0.472 125 C N 3.349 122.955 119.300 0.509 0.000 2.335 125 C HA 0.625 nan 4.460 nan 0.000 0.318 125 C C -1.554 173.582 174.990 0.244 0.000 1.150 125 C CA -1.405 57.863 59.018 0.417 0.000 1.466 125 C CB -0.213 27.738 27.740 0.352 0.000 2.024 125 C HN 0.460 8.970 8.230 0.466 0.000 0.429 126 G N 7.669 116.648 108.800 0.299 0.000 3.187 126 G HA2 -0.220 nan 3.960 nan 0.000 0.682 126 G HA3 -0.220 nan 3.960 nan 0.000 0.682 126 G C -1.927 173.129 174.900 0.260 0.000 1.266 126 G CA -0.108 45.194 45.100 0.336 0.000 0.902 126 G HN 0.097 8.521 8.290 0.351 0.076 0.589 127 A N 3.181 126.196 122.820 0.324 0.000 2.067 127 A HA -0.152 nan 4.320 nan 0.000 0.217 127 A C -0.220 177.350 177.584 -0.025 0.000 1.156 127 A CA 1.245 53.376 52.037 0.156 0.000 0.683 127 A CB 0.447 19.575 19.000 0.214 0.000 0.808 127 A HN 0.018 8.515 8.150 0.578 0.000 0.455 128 N N -1.263 117.343 118.700 -0.157 0.000 2.434 128 N HA 0.295 nan 4.740 nan 0.000 0.272 128 N C -1.934 173.450 175.510 -0.210 0.000 1.040 128 N CA -3.278 49.611 53.050 -0.268 0.000 0.956 128 N CB 0.893 39.062 38.487 -0.530 0.000 1.108 128 N HN -0.223 8.042 8.380 -0.139 0.032 0.481 129 P HA -0.188 nan 4.420 nan 0.000 0.219 129 P C -0.025 177.194 177.300 -0.136 0.000 1.146 129 P CA 2.137 65.122 63.100 -0.193 0.000 0.808 129 P CB 0.023 31.625 31.700 -0.163 0.000 0.779 130 D N -3.119 117.208 120.400 -0.122 0.000 2.224 130 D HA -0.152 nan 4.640 nan 0.000 0.205 130 D C 0.885 177.149 176.300 -0.061 0.000 0.965 130 D CA 1.648 55.599 54.000 -0.082 0.000 0.852 130 D CB -0.563 40.193 40.800 -0.073 0.000 0.947 130 D HN 0.350 8.603 8.370 -0.145 0.030 0.494 131 T N -5.710 108.798 114.554 -0.078 0.000 3.040 131 T HA 0.162 nan 4.350 nan 0.000 0.266 131 T C 0.200 174.902 174.700 0.002 0.000 1.005 131 T CA -0.700 61.389 62.100 -0.018 0.000 0.906 131 T CB 0.596 69.482 68.868 0.030 0.000 1.082 131 T HN -0.490 7.671 8.240 -0.133 0.000 0.531 132 R N 1.808 122.294 120.500 -0.024 0.000 2.615 132 R HA 0.208 nan 4.340 nan 0.000 0.270 132 R C -0.888 175.449 176.300 0.061 0.000 1.081 132 R CA -0.503 55.609 56.100 0.021 0.000 1.154 132 R CB 1.231 31.516 30.300 -0.025 0.000 1.063 132 R HN -0.570 7.658 8.270 -0.069 0.000 0.519 133 L N 1.441 122.737 121.223 0.123 0.000 2.317 133 L HA 0.323 nan 4.340 nan 0.000 0.281 133 L C -0.911 176.108 176.870 0.249 0.000 1.024 133 L CA -1.267 53.656 54.840 0.139 0.000 0.810 133 L CB 2.589 44.696 42.059 0.080 0.000 1.240 133 L HN 0.228 8.543 8.230 0.142 0.000 0.427 134 S N 4.177 119.983 115.700 0.177 0.000 2.404 134 S HA 0.351 nan 4.470 nan 0.000 0.309 134 S C -1.208 173.487 174.600 0.157 0.000 1.076 134 S CA -0.172 58.101 58.200 0.122 0.000 1.095 134 S CB 0.074 63.051 63.200 -0.371 0.000 0.972 134 S HN -0.163 8.678 8.310 0.107 -0.467 0.484 135 V N 6.131 126.180 119.914 0.226 0.000 2.483 135 V HA 0.562 nan 4.120 nan 0.000 0.295 135 V C -1.755 174.322 176.094 -0.028 0.000 1.035 135 V CA -1.520 60.772 62.300 -0.013 0.000 0.896 135 V CB 1.529 33.130 31.823 -0.369 0.000 0.986 135 V HN 0.801 9.168 8.190 0.295 0.000 0.447 136 R N 5.090 125.502 120.500 -0.146 0.000 2.310 136 R HA 0.600 nan 4.340 nan 0.000 0.324 136 R C -1.394 174.741 176.300 -0.275 0.000 0.955 136 R CA -1.807 54.246 56.100 -0.078 0.000 0.830 136 R CB 2.386 32.718 30.300 0.055 0.000 1.154 136 R HN 0.497 8.667 8.270 -0.167 0.000 0.458 137 F N 7.037 126.939 119.950 -0.081 0.000 2.408 137 F HA 0.708 nan 4.527 nan 0.000 0.344 137 F C -0.851 174.920 175.800 -0.050 0.000 1.112 137 F CA -0.824 57.124 58.000 -0.087 0.000 1.096 137 F CB 1.913 40.839 39.000 -0.125 0.000 1.129 137 F HN 0.653 9.102 8.300 0.249 0.000 0.486 138 I N 3.442 124.071 120.570 0.098 0.000 2.436 138 I HA 0.636 nan 4.170 nan 0.000 0.289 138 I C -2.024 174.116 176.117 0.038 0.000 1.010 138 I CA -1.007 60.333 61.300 0.067 0.000 1.098 138 I CB 2.331 40.347 38.000 0.026 0.000 1.266 138 I HN 0.606 8.850 8.210 0.056 0.000 0.434 139 T N 6.408 120.996 114.554 0.058 0.000 2.792 139 T HA 0.574 nan 4.350 nan 0.000 0.303 139 T C -1.922 172.827 174.700 0.081 0.000 1.310 139 T CA -1.267 60.836 62.100 0.004 0.000 1.007 139 T CB 2.609 71.443 68.868 -0.056 0.000 1.335 139 T HN 0.368 8.674 8.240 0.110 0.000 0.504 140 E N 1.339 121.538 120.200 -0.001 0.000 2.583 140 E HA 0.363 nan 4.350 nan 0.000 0.213 140 E C -0.924 175.749 176.600 0.122 0.000 0.989 140 E CA -0.599 55.830 56.400 0.049 0.000 0.991 140 E CB 1.107 30.772 29.700 -0.059 0.000 1.040 140 E HN 0.517 8.802 8.360 -0.124 0.000 0.481 141 V N 0.828 120.732 119.914 -0.017 0.000 2.409 141 V HA 0.325 nan 4.120 nan 0.000 0.291 141 V C -0.028 175.871 176.094 -0.325 0.000 1.020 141 V CA -1.140 61.056 62.300 -0.174 0.000 0.848 141 V CB 0.782 32.268 31.823 -0.562 0.000 0.990 141 V HN -0.421 7.655 8.190 -0.096 0.056 0.430 142 A N 7.849 130.487 122.820 -0.303 0.000 1.873 142 A HA -0.229 nan 4.320 nan 0.000 0.218 142 A C 1.370 178.784 177.584 -0.285 0.000 1.193 142 A CA 3.440 55.077 52.037 -0.668 0.000 0.629 142 A CB -0.273 18.567 19.000 -0.267 0.000 0.826 142 A HN 0.580 8.732 8.150 0.003 0.000 0.447 143 W N -4.869 116.399 121.300 -0.054 0.000 2.392 143 W HA -0.329 nan 4.660 nan 0.000 0.279 143 W C 1.320 177.867 176.519 0.046 0.000 1.225 143 W CA 1.558 58.939 57.345 0.061 0.000 1.233 143 W CB -1.038 28.490 29.460 0.113 0.000 1.122 143 W HN -0.046 8.198 8.180 0.106 0.000 0.561 144 Q N -0.311 119.276 119.800 -0.355 0.000 2.123 144 Q HA -0.304 nan 4.340 nan 0.000 0.199 144 Q C 2.206 178.137 176.000 -0.114 0.000 0.966 144 Q CA 2.858 58.459 55.803 -0.337 0.000 0.845 144 Q CB -0.557 27.812 28.738 -0.615 0.000 0.907 144 Q HN -0.487 7.338 8.270 -0.696 0.027 0.439 145 A N -0.235 122.465 122.820 -0.201 0.000 1.930 145 A HA -0.239 nan 4.320 nan 0.000 0.217 145 A C 1.535 179.080 177.584 -0.065 0.000 1.175 145 A CA 2.768 54.692 52.037 -0.187 0.000 0.627 145 A CB -1.077 17.695 19.000 -0.380 0.000 0.815 145 A HN -0.524 7.340 8.150 -0.327 0.090 0.443 146 H N 0.116 119.131 119.070 -0.092 0.000 2.353 146 H HA -0.337 nan 4.556 nan 0.000 0.300 146 H C 1.965 177.327 175.328 0.058 0.000 1.090 146 H CA 2.533 58.585 56.048 0.007 0.000 1.327 146 H CB 0.423 30.258 29.762 0.122 0.000 1.383 146 H HN -0.388 7.842 8.280 0.081 0.099 0.508 147 F N -0.271 119.691 119.950 0.020 0.000 2.126 147 F HA -0.428 nan 4.527 nan 0.000 0.299 147 F C 1.478 177.196 175.800 -0.137 0.000 1.096 147 F CA 3.902 61.846 58.000 -0.094 0.000 1.255 147 F CB 0.213 39.186 39.000 -0.045 0.000 0.997 147 F HN -0.186 8.239 8.300 0.347 0.083 0.479 148 V N -5.030 114.870 119.914 -0.024 0.000 2.667 148 V HA -0.364 nan 4.120 nan 0.000 0.252 148 V C 1.578 177.561 176.094 -0.184 0.000 1.065 148 V CA 3.176 65.342 62.300 -0.224 0.000 1.083 148 V CB -1.219 30.117 31.823 -0.811 0.000 0.692 148 V HN -0.389 7.830 8.190 0.047 0.000 0.468 149 K N 0.605 120.918 120.400 -0.145 0.000 2.097 149 K HA -0.367 nan 4.320 nan 0.000 0.205 149 K C 1.943 178.523 176.600 -0.033 0.000 1.050 149 K CA 3.557 59.774 56.287 -0.117 0.000 0.938 149 K CB -0.246 32.139 32.500 -0.192 0.000 0.718 149 K HN -0.270 7.806 8.250 -0.105 0.111 0.442 150 N N -0.122 118.549 118.700 -0.048 0.000 2.109 150 N HA -0.179 nan 4.740 nan 0.000 0.188 150 N C 2.692 178.030 175.510 -0.286 0.000 1.034 150 N CA 2.899 55.880 53.050 -0.115 0.000 0.846 150 N CB -0.221 38.124 38.487 -0.237 0.000 1.010 150 N HN -0.248 8.095 8.380 -0.061 0.000 0.425 151 M N -1.990 117.317 119.600 -0.489 0.000 2.319 151 M HA -0.125 nan 4.480 nan 0.000 0.265 151 M C 0.591 176.537 176.300 -0.589 0.000 1.068 151 M CA 0.693 55.603 55.300 -0.650 0.000 1.118 151 M CB -0.131 31.855 32.600 -1.024 0.000 1.395 151 M HN -0.198 7.762 8.290 -0.550 0.000 0.435 152 F N -1.730 118.091 119.950 -0.215 0.000 2.457 152 F HA 0.367 nan 4.527 nan 0.000 0.330 152 F C 0.053 175.858 175.800 0.008 0.000 1.069 152 F CA -0.576 57.386 58.000 -0.065 0.000 1.009 152 F CB 2.217 41.200 39.000 -0.029 0.000 1.276 152 F HN -0.571 7.716 8.300 -0.021 0.000 0.492 153 I N 1.650 122.415 120.570 0.324 0.000 2.505 153 I HA -0.153 nan 4.170 nan 0.000 0.287 153 I C -0.563 175.705 176.117 0.253 0.000 1.104 153 I CA 0.475 61.951 61.300 0.294 0.000 1.387 153 I CB -0.010 38.228 38.000 0.396 0.000 1.404 153 I HN 0.145 8.624 8.210 0.448 0.000 0.528 154 R N 8.528 129.137 120.500 0.182 0.000 2.296 154 R HA 0.098 nan 4.340 nan 0.000 0.323 154 R C -2.085 174.302 176.300 0.146 0.000 1.067 154 R CA -1.597 54.565 56.100 0.103 0.000 0.946 154 R CB -0.448 29.911 30.300 0.098 0.000 0.991 154 R HN 0.394 8.774 8.270 0.184 0.000 0.448 155 P HA 0.125 nan 4.420 nan 0.000 0.274 155 P C -1.769 175.611 177.300 0.134 0.000 1.237 155 P CA -0.669 62.536 63.100 0.175 0.000 0.793 155 P CB 0.871 32.549 31.700 -0.038 0.000 0.977 156 S N 0.877 116.691 115.700 0.189 0.000 2.645 156 S HA 0.151 nan 4.470 nan 0.000 0.266 156 S C 0.988 175.655 174.600 0.111 0.000 1.258 156 S CA -0.973 57.303 58.200 0.128 0.000 0.990 156 S CB 2.422 65.701 63.200 0.130 0.000 0.967 156 S HN -0.020 8.784 8.310 0.280 -0.327 0.556 157 D N 2.299 122.748 120.400 0.082 0.000 2.182 157 D HA -0.247 nan 4.640 nan 0.000 0.201 157 D C 2.108 178.467 176.300 0.099 0.000 0.986 157 D CA 3.566 57.612 54.000 0.077 0.000 0.847 157 D CB -0.443 40.392 40.800 0.059 0.000 0.942 157 D HN 0.646 9.059 8.370 0.071 0.000 0.467 158 E N -1.954 118.309 120.200 0.104 0.000 2.152 158 E HA -0.167 nan 4.350 nan 0.000 0.192 158 E C 2.306 178.999 176.600 0.156 0.000 0.983 158 E CA 2.340 58.807 56.400 0.111 0.000 0.818 158 E CB -0.868 28.887 29.700 0.092 0.000 0.758 158 E HN 0.473 8.871 8.360 0.098 0.020 0.467 159 E N -0.376 119.948 120.200 0.206 0.000 2.107 159 E HA -0.213 nan 4.350 nan 0.000 0.191 159 E C 2.516 179.326 176.600 0.350 0.000 0.982 159 E CA 2.161 58.754 56.400 0.321 0.000 0.809 159 E CB -0.097 29.888 29.700 0.476 0.000 0.756 159 E HN -0.719 7.650 8.360 0.188 0.104 0.459 160 L N -2.111 119.255 121.223 0.237 0.000 2.141 160 L HA -0.157 nan 4.340 nan 0.000 0.209 160 L C 2.257 179.261 176.870 0.223 0.000 1.094 160 L CA 1.881 56.842 54.840 0.202 0.000 0.763 160 L CB -1.315 40.809 42.059 0.108 0.000 0.908 160 L HN -0.035 8.306 8.230 0.184 0.000 0.437 161 A N 0.524 123.447 122.820 0.173 0.000 1.903 161 A HA -0.206 nan 4.320 nan 0.000 0.219 161 A C 0.803 178.471 177.584 0.140 0.000 1.191 161 A CA 2.871 54.987 52.037 0.131 0.000 0.638 161 A CB -0.466 18.596 19.000 0.104 0.000 0.823 161 A HN -0.416 7.719 8.150 0.162 0.112 0.451 162 G N -3.806 105.095 108.800 0.169 0.000 4.222 162 G HA2 0.124 nan 3.960 nan 0.000 0.301 162 G HA3 0.124 nan 3.960 nan 0.000 0.301 162 G C -1.862 173.150 174.900 0.187 0.000 1.171 162 G CA -1.158 44.029 45.100 0.145 0.000 0.937 162 G HN -0.315 8.089 8.290 0.190 0.000 0.557 163 F N 2.256 122.266 119.950 0.100 0.000 2.472 163 F HA -0.160 nan 4.527 nan 0.000 0.364 163 F C -1.501 174.355 175.800 0.092 0.000 1.090 163 F CA 0.818 58.883 58.000 0.110 0.000 1.188 163 F CB 0.898 39.953 39.000 0.091 0.000 1.105 163 F HN -0.807 7.551 8.300 0.358 0.158 0.536 164 K N 8.888 129.159 120.400 -0.215 0.000 2.535 164 K HA 0.370 nan 4.320 nan 0.000 0.253 164 K C -2.798 173.663 176.600 -0.231 0.000 0.953 164 K CA -3.901 52.336 56.287 -0.083 0.000 0.863 164 K CB 2.134 34.611 32.500 -0.038 0.000 1.111 164 K HN 0.109 8.073 8.250 -0.477 0.000 0.431 165 P HA -0.065 nan 4.420 nan 0.000 0.271 165 P C -1.112 176.194 177.300 0.010 0.000 1.216 165 P CA -0.195 62.919 63.100 0.024 0.000 0.771 165 P CB 0.483 32.291 31.700 0.179 0.000 0.864 166 D N 0.520 120.937 120.400 0.027 0.000 2.469 166 D HA 0.184 nan 4.640 nan 0.000 0.215 166 D C -0.835 175.545 176.300 0.134 0.000 1.154 166 D CA -0.632 53.405 54.000 0.062 0.000 0.832 166 D CB 1.288 42.130 40.800 0.070 0.000 1.008 166 D HN 0.536 8.924 8.370 0.031 0.000 0.506 167 F N -0.852 119.073 119.950 -0.042 0.000 2.622 167 F HA 0.425 nan 4.527 nan 0.000 0.318 167 F C -2.665 173.040 175.800 -0.160 0.000 1.135 167 F CA 0.446 58.403 58.000 -0.072 0.000 1.015 167 F CB 4.287 43.255 39.000 -0.053 0.000 1.275 167 F HN -0.734 7.572 8.300 0.115 0.063 0.457 168 I N 5.072 125.517 120.570 -0.208 0.000 2.498 168 I HA 0.687 nan 4.170 nan 0.000 0.290 168 I C -2.445 173.569 176.117 -0.171 0.000 1.032 168 I CA -1.241 59.913 61.300 -0.243 0.000 1.073 168 I CB 3.498 41.255 38.000 -0.405 0.000 1.251 168 I HN 0.283 8.165 8.210 -0.547 0.000 0.426 169 V N 5.979 125.757 119.914 -0.226 0.000 2.407 169 V HA 0.764 nan 4.120 nan 0.000 0.291 169 V C -2.188 173.840 176.094 -0.110 0.000 1.018 169 V CA -2.388 59.834 62.300 -0.131 0.000 0.842 169 V CB 2.632 34.377 31.823 -0.129 0.000 0.996 169 V HN 0.615 8.594 8.190 -0.352 0.000 0.426 170 M N 9.269 128.814 119.600 -0.092 0.000 2.066 170 M HA 0.399 nan 4.480 nan 0.000 0.340 170 M C -1.768 174.476 176.300 -0.093 0.000 1.053 170 M CA -0.872 54.375 55.300 -0.088 0.000 0.983 170 M CB 1.200 33.739 32.600 -0.102 0.000 1.520 170 M HN 0.432 8.674 8.290 -0.080 0.000 0.428 171 N N 4.813 123.455 118.700 -0.097 0.000 2.437 171 N HA 0.182 nan 4.740 nan 0.000 0.243 171 N C 0.080 175.465 175.510 -0.209 0.000 1.041 171 N CA -0.291 52.662 53.050 -0.161 0.000 0.940 171 N CB 1.434 39.818 38.487 -0.172 0.000 1.133 171 N HN 0.259 8.598 8.380 -0.068 0.000 0.506 172 G N 3.245 111.908 108.800 -0.229 0.000 4.486 172 G HA2 0.323 nan 3.960 nan 0.000 0.306 172 G HA3 0.323 nan 3.960 nan 0.000 0.306 172 G C -0.526 174.192 174.900 -0.304 0.000 1.331 172 G CA -1.339 43.626 45.100 -0.226 0.000 1.113 172 G HN 0.445 8.595 8.290 -0.234 0.000 0.594 173 A N 1.841 124.411 122.820 -0.418 0.000 1.958 173 A HA -0.326 nan 4.320 nan 0.000 0.221 173 A C 1.142 178.517 177.584 -0.349 0.000 1.178 173 A CA 2.884 54.623 52.037 -0.497 0.000 0.642 173 A CB -0.397 18.072 19.000 -0.884 0.000 0.816 173 A HN -0.381 7.645 8.150 -0.438 -0.140 0.453 174 K N -5.472 114.732 120.400 -0.326 0.000 2.439 174 K HA -0.128 nan 4.320 nan 0.000 0.197 174 K C -0.217 176.389 176.600 0.009 0.000 1.041 174 K CA 0.764 57.011 56.287 -0.066 0.000 0.970 174 K CB -0.061 32.398 32.500 -0.069 0.000 0.773 174 K HN 0.004 7.982 8.250 -0.413 0.024 0.479 175 C N -2.733 116.540 119.300 -0.044 0.000 2.399 175 C HA 0.373 nan 4.460 nan 0.000 0.348 175 C C -1.673 173.338 174.990 0.035 0.000 1.183 175 C CA -2.271 56.754 59.018 0.012 0.000 2.023 175 C CB 2.432 30.177 27.740 0.008 0.000 2.361 175 C HN -0.363 7.639 8.230 -0.118 0.157 0.521 176 T N -3.443 111.178 114.554 0.112 0.000 2.864 176 T HA 0.187 nan 4.350 nan 0.000 0.289 176 T C -1.581 173.277 174.700 0.263 0.000 1.082 176 T CA -1.736 60.471 62.100 0.179 0.000 1.009 176 T CB 3.222 72.182 68.868 0.154 0.000 1.234 176 T HN -0.124 8.181 8.240 0.108 0.000 0.526 177 N N 0.823 119.723 118.700 0.333 0.000 2.546 177 N HA 0.488 nan 4.740 nan 0.000 0.238 177 N C 0.609 176.345 175.510 0.375 0.000 0.984 177 N CA -3.312 49.926 53.050 0.314 0.000 0.935 177 N CB 1.660 40.315 38.487 0.281 0.000 1.122 177 N HN 0.118 8.585 8.380 0.329 0.110 0.510 178 P HA -0.092 nan 4.420 nan 0.000 0.229 178 P C 0.020 177.418 177.300 0.164 0.000 1.160 178 P CA 1.446 64.695 63.100 0.249 0.000 0.777 178 P CB 0.460 32.255 31.700 0.157 0.000 0.814 179 Q N -3.078 116.818 119.800 0.160 0.000 2.220 179 Q HA 0.197 nan 4.340 nan 0.000 0.205 179 Q C 1.015 177.005 176.000 -0.017 0.000 0.865 179 Q CA -1.245 54.550 55.803 -0.014 0.000 0.960 179 Q CB -0.848 27.803 28.738 -0.145 0.000 1.097 179 Q HN -0.395 8.223 8.270 0.261 -0.191 0.493 180 W N -0.609 120.695 121.300 0.005 0.000 2.321 180 W HA -0.405 nan 4.660 nan 0.000 0.306 180 W C 0.286 176.798 176.519 -0.011 0.000 1.217 180 W CA 3.235 60.579 57.345 -0.001 0.000 1.257 180 W CB -1.472 28.022 29.460 0.057 0.000 1.145 180 W HN -0.675 7.680 8.180 0.413 0.073 0.509 181 K N -0.047 119.893 120.400 -0.766 0.000 2.063 181 K HA -0.384 nan 4.320 nan 0.000 0.208 181 K C 3.020 179.442 176.600 -0.297 0.000 1.048 181 K CA 3.234 59.086 56.287 -0.726 0.000 0.928 181 K CB -0.769 31.178 32.500 -0.920 0.000 0.713 181 K HN -0.096 7.387 8.250 -1.278 0.000 0.442 182 E N -1.607 118.443 120.200 -0.250 0.000 2.427 182 E HA -0.080 nan 4.350 nan 0.000 0.196 182 E C 0.822 177.349 176.600 -0.121 0.000 1.028 182 E CA 1.654 57.956 56.400 -0.164 0.000 0.864 182 E CB -0.525 29.078 29.700 -0.161 0.000 0.813 182 E HN -0.049 8.134 8.360 -0.295 0.000 0.514 183 Q N -2.334 117.407 119.800 -0.099 0.000 2.282 183 Q HA 0.215 nan 4.340 nan 0.000 0.206 183 Q C 0.171 176.153 176.000 -0.031 0.000 0.878 183 Q CA -0.824 54.932 55.803 -0.078 0.000 0.944 183 Q CB 0.829 29.509 28.738 -0.097 0.000 1.100 183 Q HN -0.705 7.325 8.270 -0.096 0.183 0.509 184 G N -1.605 107.199 108.800 0.007 0.000 2.176 184 G HA2 -0.329 nan 3.960 nan 0.000 0.252 184 G HA3 -0.329 nan 3.960 nan 0.000 0.252 184 G C -0.389 174.591 174.900 0.134 0.000 1.024 184 G CA 0.385 45.521 45.100 0.059 0.000 0.755 184 G HN -0.607 7.508 8.290 -0.018 0.165 0.507 185 L N -2.395 118.948 121.223 0.199 0.000 2.431 185 L HA 0.207 nan 4.340 nan 0.000 0.260 185 L C 0.400 177.526 176.870 0.427 0.000 1.098 185 L CA -1.417 53.571 54.840 0.246 0.000 0.800 185 L CB 1.284 43.407 42.059 0.107 0.000 1.210 185 L HN -0.572 7.759 8.230 0.213 0.028 0.465 186 N N -0.028 118.888 118.700 0.360 0.000 2.142 186 N HA -0.147 nan 4.740 nan 0.000 0.186 186 N C -0.931 174.474 175.510 -0.174 0.000 1.023 186 N CA 1.670 54.840 53.050 0.199 0.000 0.852 186 N CB 0.892 39.486 38.487 0.179 0.000 0.998 186 N HN 0.157 8.825 8.380 0.481 0.000 0.424 187 S N -3.914 111.533 115.700 -0.422 0.000 2.757 187 S HA 0.148 nan 4.470 nan 0.000 0.285 187 S C -1.499 172.494 174.600 -1.012 0.000 1.196 187 S CA -0.566 56.907 58.200 -1.212 0.000 0.856 187 S CB 1.547 64.407 63.200 -0.568 0.000 1.212 187 S HN -0.552 7.700 8.310 -0.098 0.000 0.516 188 E N -2.833 116.793 120.200 -0.956 0.000 2.418 188 E HA -0.098 nan 4.350 nan 0.000 0.197 188 E C -0.247 176.387 176.600 0.056 0.000 1.026 188 E CA 0.765 56.999 56.400 -0.275 0.000 0.862 188 E CB -0.130 29.542 29.700 -0.047 0.000 0.799 188 E HN 0.319 8.108 8.360 -0.953 0.000 0.518 189 N N 0.157 118.857 118.700 -0.001 0.000 2.458 189 N HA 0.510 nan 4.740 nan 0.000 0.271 189 N C -1.523 174.091 175.510 0.173 0.000 1.210 189 N CA 0.805 53.855 53.050 0.001 0.000 0.978 189 N CB 1.724 40.176 38.487 -0.058 0.000 1.206 189 N HN -0.715 7.534 8.380 -0.118 0.061 0.536 190 F N -7.163 112.778 119.950 -0.015 0.000 2.690 190 F HA 0.454 nan 4.527 nan 0.000 0.311 190 F C -2.431 173.381 175.800 0.020 0.000 1.111 190 F CA -0.796 57.238 58.000 0.057 0.000 1.003 190 F CB 2.096 41.123 39.000 0.045 0.000 1.283 190 F HN 0.206 8.204 8.300 -0.502 0.000 0.442 191 V N 1.429 121.505 119.914 0.269 0.000 2.380 191 V HA 0.512 nan 4.120 nan 0.000 0.272 191 V C -1.853 174.371 176.094 0.217 0.000 1.011 191 V CA -0.969 61.401 62.300 0.116 0.000 0.826 191 V CB 0.854 32.740 31.823 0.105 0.000 1.040 191 V HN 0.675 9.118 8.190 0.422 0.000 0.441 192 A N 6.547 129.473 122.820 0.178 0.000 2.325 192 A HA 1.062 nan 4.320 nan 0.000 0.333 192 A C -2.359 175.289 177.584 0.106 0.000 1.155 192 A CA -2.466 49.765 52.037 0.322 0.000 0.814 192 A CB 3.165 22.456 19.000 0.486 0.000 1.206 192 A HN 0.526 8.781 8.150 0.175 0.000 0.482 193 F N -1.162 119.008 119.950 0.366 0.000 2.565 193 F HA 0.598 nan 4.527 nan 0.000 0.313 193 F C -2.003 173.692 175.800 -0.174 0.000 1.091 193 F CA -1.362 56.752 58.000 0.190 0.000 0.915 193 F CB 3.937 43.033 39.000 0.161 0.000 1.208 193 F HN 0.078 8.735 8.300 0.595 0.000 0.453 194 N N 1.626 120.158 118.700 -0.280 0.000 2.504 194 N HA 0.345 nan 4.740 nan 0.000 0.280 194 N C -0.932 174.385 175.510 -0.322 0.000 1.052 194 N CA -0.962 51.698 53.050 -0.651 0.000 0.887 194 N CB 2.021 39.517 38.487 -1.651 0.000 1.323 194 N HN 0.360 8.686 8.380 -0.090 0.000 0.509 195 L N 4.494 125.612 121.223 -0.176 0.000 2.492 195 L HA -0.005 nan 4.340 nan 0.000 0.223 195 L C 0.678 177.504 176.870 -0.073 0.000 1.132 195 L CA 1.640 56.451 54.840 -0.049 0.000 0.850 195 L CB 0.054 42.112 42.059 -0.001 0.000 0.966 195 L HN 0.648 8.762 8.230 -0.193 0.000 0.454 196 T N 0.213 114.678 114.554 -0.149 0.000 2.894 196 T HA -0.139 nan 4.350 nan 0.000 0.258 196 T C 1.485 176.106 174.700 -0.132 0.000 1.043 196 T CA 3.260 65.294 62.100 -0.110 0.000 1.141 196 T CB -0.114 68.683 68.868 -0.119 0.000 0.873 196 T HN -0.152 8.140 8.240 -0.226 -0.187 0.449 197 E N -0.744 119.326 120.200 -0.216 0.000 2.442 197 E HA 0.088 nan 4.350 nan 0.000 0.195 197 E C -0.345 176.094 176.600 -0.268 0.000 1.030 197 E CA -0.144 56.148 56.400 -0.181 0.000 0.869 197 E CB 0.825 30.443 29.700 -0.136 0.000 0.857 197 E HN -0.609 7.872 8.360 -0.310 -0.307 0.505 198 R N -3.141 117.128 120.500 -0.384 0.000 3.152 198 R HA -0.395 nan 4.340 nan 0.000 0.252 198 R C -1.659 173.863 176.300 -1.296 0.000 0.930 198 R CA 0.624 56.248 56.100 -0.794 0.000 0.642 198 R CB -2.548 27.460 30.300 -0.487 0.000 1.205 198 R HN -0.249 7.762 8.270 -0.310 0.073 0.452 199 M N -2.944 116.148 119.600 -0.846 0.000 2.575 199 M HA 0.617 nan 4.480 nan 0.000 0.284 199 M C -2.549 173.812 176.300 0.102 0.000 1.253 199 M CA -0.750 54.324 55.300 -0.377 0.000 0.861 199 M CB 5.868 38.486 32.600 0.030 0.000 1.733 199 M HN -0.120 7.826 8.290 -0.573 0.000 0.462 200 Q N 0.563 120.474 119.800 0.186 0.000 2.323 200 Q HA 0.783 nan 4.340 nan 0.000 0.271 200 Q C -2.437 173.572 176.000 0.015 0.000 1.048 200 Q CA -1.149 54.696 55.803 0.070 0.000 0.792 200 Q CB 3.885 32.619 28.738 -0.006 0.000 1.280 200 Q HN 0.460 8.782 8.270 0.086 0.000 0.441 201 L N 5.517 126.738 121.223 -0.003 0.000 2.346 201 L HA 0.833 nan 4.340 nan 0.000 0.276 201 L C -1.424 175.423 176.870 -0.039 0.000 1.006 201 L CA -1.056 53.768 54.840 -0.026 0.000 0.817 201 L CB 3.061 45.075 42.059 -0.074 0.000 1.272 201 L HN 0.706 8.950 8.230 0.023 0.000 0.421 202 I N 0.981 121.459 120.570 -0.153 0.000 2.498 202 I HA 0.675 nan 4.170 nan 0.000 0.290 202 I C -1.576 174.167 176.117 -0.624 0.000 1.032 202 I CA -1.319 59.777 61.300 -0.340 0.000 1.073 202 I CB 3.465 41.316 38.000 -0.248 0.000 1.251 202 I HN -0.097 8.031 8.210 -0.136 0.000 0.426 203 G N 3.097 111.224 108.800 -1.121 0.000 2.731 203 G HA2 0.632 nan 3.960 nan 0.000 0.298 203 G HA3 0.632 nan 3.960 nan 0.000 0.298 203 G C -1.079 173.403 174.900 -0.697 0.000 1.424 203 G CA -0.747 43.667 45.100 -1.144 0.000 1.029 203 G HN 0.566 8.207 8.290 -1.081 0.000 0.518 204 G N 2.973 111.583 108.800 -0.317 0.000 2.417 204 G HA2 -0.453 nan 3.960 nan 0.000 0.233 204 G HA3 -0.453 nan 3.960 nan 0.000 0.233 204 G C -1.110 173.834 174.900 0.072 0.000 1.103 204 G CA 0.708 45.770 45.100 -0.064 0.000 0.647 204 G HN -0.138 7.900 8.290 -0.275 0.087 0.512 205 T N 0.423 114.887 114.554 -0.150 0.000 2.795 205 T HA 0.352 nan 4.350 nan 0.000 0.282 205 T C -0.202 174.557 174.700 0.098 0.000 0.980 205 T CA -1.741 60.307 62.100 -0.086 0.000 1.012 205 T CB 0.422 68.874 68.868 -0.694 0.000 0.936 205 T HN -0.809 7.152 8.240 -0.313 0.091 0.457 206 W N 6.361 127.681 121.300 0.032 0.000 2.737 206 W HA 0.052 nan 4.660 nan 0.000 0.262 206 W C -0.125 176.459 176.519 0.107 0.000 1.282 206 W CA -0.565 56.806 57.345 0.044 0.000 1.386 206 W CB 0.043 29.614 29.460 0.184 0.000 1.099 206 W HN 0.290 8.884 8.180 0.690 0.000 0.621 207 Y N 1.130 121.573 120.300 0.238 0.000 2.852 207 Y HA -0.267 nan 4.550 nan 0.000 0.343 207 Y C 1.198 177.060 175.900 -0.064 0.000 1.280 207 Y CA 0.370 58.544 58.100 0.123 0.000 1.604 207 Y CB 0.156 38.675 38.460 0.098 0.000 1.216 207 Y HN -0.748 7.778 8.280 0.470 0.036 0.541 208 G N 6.863 115.231 108.800 -0.720 0.000 2.470 208 G HA2 -0.405 nan 3.960 nan 0.000 0.220 208 G HA3 -0.405 nan 3.960 nan 0.000 0.220 208 G C 0.530 174.756 174.900 -1.124 0.000 1.121 208 G CA 1.110 45.499 45.100 -1.185 0.000 0.766 208 G HN 0.457 8.434 8.290 -0.522 0.000 0.553 209 G N 0.259 108.279 108.800 -1.301 0.000 2.479 209 G HA2 -0.308 nan 3.960 nan 0.000 0.220 209 G HA3 -0.308 nan 3.960 nan 0.000 0.220 209 G C 1.136 176.012 174.900 -0.039 0.000 1.115 209 G CA 1.507 46.302 45.100 -0.507 0.000 0.757 209 G HN 0.355 7.187 8.290 -2.367 0.038 0.560 210 E N 1.098 121.288 120.200 -0.016 0.000 2.150 210 E HA -0.278 nan 4.350 nan 0.000 0.193 210 E C 2.360 179.065 176.600 0.176 0.000 0.985 210 E CA 2.645 59.123 56.400 0.129 0.000 0.814 210 E CB -0.447 29.293 29.700 0.067 0.000 0.752 210 E HN -0.549 7.672 8.360 -0.161 0.042 0.466 211 M N -1.048 118.634 119.600 0.137 0.000 2.193 211 M HA -0.243 nan 4.480 nan 0.000 0.265 211 M C 1.773 178.347 176.300 0.458 0.000 1.071 211 M CA 3.418 58.901 55.300 0.305 0.000 1.140 211 M CB 0.105 32.897 32.600 0.321 0.000 1.369 211 M HN -0.548 7.728 8.290 0.003 0.016 0.423 212 K N 0.668 121.286 120.400 0.364 0.000 1.973 212 K HA -0.350 nan 4.320 nan 0.000 0.212 212 K C 2.416 179.124 176.600 0.179 0.000 1.047 212 K CA 3.513 59.936 56.287 0.227 0.000 0.937 212 K CB -0.099 32.417 32.500 0.027 0.000 0.721 212 K HN -0.725 7.686 8.250 0.269 0.000 0.440 213 K N -2.603 117.878 120.400 0.135 0.000 2.283 213 K HA -0.137 nan 4.320 nan 0.000 0.202 213 K C 2.458 179.236 176.600 0.296 0.000 1.048 213 K CA 1.568 57.926 56.287 0.118 0.000 0.948 213 K CB -0.770 31.762 32.500 0.054 0.000 0.742 213 K HN -0.178 8.149 8.250 0.128 0.000 0.458 214 G N -0.422 108.606 108.800 0.380 0.000 2.404 214 G HA2 -0.238 nan 3.960 nan 0.000 0.215 214 G HA3 -0.238 nan 3.960 nan 0.000 0.215 214 G C 1.585 176.718 174.900 0.388 0.000 1.174 214 G CA 2.051 47.477 45.100 0.543 0.000 0.780 214 G HN -0.260 8.121 8.290 0.349 0.119 0.537 215 M N 0.723 120.535 119.600 0.353 0.000 2.319 215 M HA -0.096 nan 4.480 nan 0.000 0.265 215 M C 1.830 178.262 176.300 0.220 0.000 1.068 215 M CA 0.395 55.828 55.300 0.222 0.000 1.118 215 M CB -1.150 31.673 32.600 0.372 0.000 1.395 215 M HN -0.490 8.052 8.290 0.420 0.000 0.435 216 F N 1.764 121.769 119.950 0.093 0.000 2.134 216 F HA -0.341 nan 4.527 nan 0.000 0.299 216 F C 1.436 177.285 175.800 0.081 0.000 1.097 216 F CA 2.583 60.626 58.000 0.073 0.000 1.264 216 F CB -0.607 38.362 39.000 -0.052 0.000 1.001 216 F HN -0.399 8.021 8.300 0.387 0.112 0.479 217 S N -0.819 114.886 115.700 0.008 0.000 2.382 217 S HA -0.338 nan 4.470 nan 0.000 0.228 217 S C 1.737 176.284 174.600 -0.090 0.000 1.027 217 S CA 3.737 61.871 58.200 -0.109 0.000 0.991 217 S CB -0.288 62.832 63.200 -0.133 0.000 0.823 217 S HN -0.199 8.116 8.310 0.146 0.083 0.469 218 M N -0.185 119.371 119.600 -0.073 0.000 2.200 218 M HA -0.174 nan 4.480 nan 0.000 0.265 218 M C 1.756 178.071 176.300 0.024 0.000 1.066 218 M CA 1.966 57.242 55.300 -0.039 0.000 1.127 218 M CB -0.447 32.025 32.600 -0.213 0.000 1.379 218 M HN -0.814 7.327 8.290 -0.052 0.117 0.420 219 M N -0.349 119.236 119.600 -0.025 0.000 2.200 219 M HA -0.314 nan 4.480 nan 0.000 0.265 219 M C 2.360 178.689 176.300 0.047 0.000 1.066 219 M CA 2.339 57.606 55.300 -0.054 0.000 1.127 219 M CB -1.426 31.034 32.600 -0.235 0.000 1.379 219 M HN -0.093 8.101 8.290 -0.018 0.086 0.420 220 N N -1.912 116.798 118.700 0.016 0.000 2.453 220 N HA -0.241 nan 4.740 nan 0.000 0.183 220 N C 1.370 176.977 175.510 0.160 0.000 1.041 220 N CA 2.402 55.509 53.050 0.095 0.000 0.900 220 N CB -0.128 38.287 38.487 -0.120 0.000 0.961 220 N HN 0.034 8.280 8.380 -0.072 0.090 0.443 221 Y N -0.255 120.020 120.300 -0.043 0.000 2.301 221 Y HA -0.055 nan 4.550 nan 0.000 0.295 221 Y C 0.634 176.507 175.900 -0.045 0.000 1.126 221 Y CA 2.741 60.783 58.100 -0.097 0.000 1.154 221 Y CB 1.443 39.845 38.460 -0.097 0.000 1.075 221 Y HN -0.926 7.257 8.280 0.158 0.192 0.534 222 L N -2.249 118.953 121.223 -0.036 0.000 2.044 222 L HA -0.338 nan 4.340 nan 0.000 0.205 222 L C 2.377 179.203 176.870 -0.074 0.000 1.075 222 L CA 2.965 57.751 54.840 -0.090 0.000 0.747 222 L CB -0.082 42.006 42.059 0.049 0.000 0.903 222 L HN -0.384 7.924 8.230 0.129 0.000 0.435 223 L N -1.455 119.774 121.223 0.010 0.000 1.994 223 L HA -0.146 nan 4.340 nan 0.000 0.208 223 L C -0.403 176.486 176.870 0.030 0.000 1.071 223 L CA 4.895 59.780 54.840 0.075 0.000 0.745 223 L CB -3.077 39.102 42.059 0.200 0.000 0.892 223 L HN -0.390 7.861 8.230 0.034 0.000 0.431 224 P HA -0.201 nan 4.420 nan 0.000 0.218 224 P C 2.111 179.325 177.300 -0.142 0.000 1.148 224 P CA 2.958 65.997 63.100 -0.102 0.000 0.822 224 P CB -0.545 30.986 31.700 -0.281 0.000 0.784 225 L N -3.787 117.323 121.223 -0.188 0.000 2.362 225 L HA -0.223 nan 4.340 nan 0.000 0.219 225 L C 1.198 178.006 176.870 -0.102 0.000 1.134 225 L CA 2.098 56.827 54.840 -0.184 0.000 0.807 225 L CB -0.397 41.497 42.059 -0.274 0.000 0.927 225 L HN -0.394 7.685 8.230 -0.219 0.019 0.447 226 K N -3.472 116.892 120.400 -0.061 0.000 2.372 226 K HA 0.116 nan 4.320 nan 0.000 0.200 226 K C 0.078 176.680 176.600 0.003 0.000 1.022 226 K CA -0.730 55.547 56.287 -0.018 0.000 1.125 226 K CB 0.264 32.769 32.500 0.010 0.000 0.855 226 K HN -0.332 7.700 8.250 -0.059 0.182 0.524 227 G N -1.172 107.621 108.800 -0.012 0.000 2.147 227 G HA2 -0.343 nan 3.960 nan 0.000 0.244 227 G HA3 -0.343 nan 3.960 nan 0.000 0.244 227 G C -1.131 173.794 174.900 0.040 0.000 1.005 227 G CA 0.311 45.409 45.100 -0.002 0.000 0.713 227 G HN -0.201 7.866 8.290 -0.039 0.200 0.515 228 I N -0.240 120.380 120.570 0.084 0.000 2.404 228 I HA 0.173 nan 4.170 nan 0.000 0.293 228 I C -1.589 174.648 176.117 0.199 0.000 0.992 228 I CA -1.525 59.880 61.300 0.176 0.000 1.149 228 I CB 1.333 39.492 38.000 0.264 0.000 1.315 228 I HN -0.456 7.758 8.210 0.062 0.034 0.446 229 A N 8.243 131.205 122.820 0.237 0.000 2.450 229 A HA 0.056 nan 4.320 nan 0.000 0.255 229 A C -1.309 176.495 177.584 0.367 0.000 1.096 229 A CA 0.356 52.570 52.037 0.294 0.000 0.778 229 A CB 0.884 20.076 19.000 0.320 0.000 1.031 229 A HN 0.218 8.508 8.150 0.234 0.000 0.494 230 S N 2.401 118.358 115.700 0.429 0.000 2.530 230 S HA 0.581 nan 4.470 nan 0.000 0.322 230 S C -0.978 173.913 174.600 0.485 0.000 1.085 230 S CA -0.867 57.626 58.200 0.488 0.000 1.096 230 S CB 0.776 64.274 63.200 0.496 0.000 0.988 230 S HN 0.117 8.703 8.310 0.460 0.000 0.466 231 M N 5.392 125.237 119.600 0.409 0.000 2.535 231 M HA 0.338 nan 4.480 nan 0.000 0.314 231 M C -1.814 174.753 176.300 0.444 0.000 1.153 231 M CA -0.787 54.788 55.300 0.457 0.000 0.924 231 M CB 3.455 36.220 32.600 0.275 0.000 1.710 231 M HN 0.850 9.284 8.290 0.241 0.000 0.451 232 H N 4.312 123.628 119.070 0.411 0.000 2.788 232 H HA 0.263 nan 4.556 nan 0.000 0.254 232 H C -2.076 173.240 175.328 -0.021 0.000 1.541 232 H CA -1.654 54.565 56.048 0.285 0.000 1.295 232 H CB -0.296 29.771 29.762 0.509 0.000 1.592 232 H HN 0.438 9.163 8.280 0.741 0.000 0.545 233 C N 0.760 119.946 119.300 -0.189 0.000 3.318 233 C HA 0.709 nan 4.460 nan 0.000 0.322 233 C C -2.138 172.756 174.990 -0.160 0.000 1.398 233 C CA -3.424 55.367 59.018 -0.379 0.000 1.339 233 C CB 3.906 31.111 27.740 -0.891 0.000 1.668 233 C HN -0.397 7.794 8.230 -0.066 0.000 0.462 234 S N -0.386 115.229 115.700 -0.142 0.000 2.722 234 S HA 0.849 nan 4.470 nan 0.000 0.292 234 S C -1.559 172.941 174.600 -0.167 0.000 1.135 234 S CA -1.841 56.311 58.200 -0.081 0.000 1.003 234 S CB 1.861 64.991 63.200 -0.117 0.000 1.067 234 S HN 0.472 8.717 8.310 -0.109 0.000 0.546 235 A N -1.833 120.857 122.820 -0.217 0.000 2.589 235 A HA 0.756 nan 4.320 nan 0.000 0.296 235 A C -2.781 174.759 177.584 -0.072 0.000 1.062 235 A CA -0.235 51.672 52.037 -0.217 0.000 0.686 235 A CB 3.120 21.719 19.000 -0.669 0.000 1.282 235 A HN 0.758 8.831 8.150 -0.128 0.000 0.404 236 N N -1.828 116.875 118.700 0.004 0.000 2.732 236 N HA 0.760 nan 4.740 nan 0.000 0.259 236 N C -2.103 173.395 175.510 -0.021 0.000 1.402 236 N CA -1.044 52.010 53.050 0.008 0.000 0.829 236 N CB 3.786 42.301 38.487 0.046 0.000 1.495 236 N HN 0.018 8.409 8.380 0.018 0.000 0.511 237 V N -5.129 114.775 119.914 -0.018 0.000 2.823 237 V HA 0.761 nan 4.120 nan 0.000 0.312 237 V C -0.561 175.526 176.094 -0.013 0.000 1.072 237 V CA -2.555 59.729 62.300 -0.026 0.000 0.937 237 V CB 2.490 34.297 31.823 -0.027 0.000 1.013 237 V HN 0.529 8.714 8.190 -0.009 0.000 0.430 238 G N 0.556 109.346 108.800 -0.016 0.000 2.535 238 G HA2 0.367 nan 3.960 nan 0.000 0.303 238 G HA3 0.367 nan 3.960 nan 0.000 0.303 238 G C 0.819 175.714 174.900 -0.008 0.000 1.237 238 G CA -1.307 43.786 45.100 -0.011 0.000 0.986 238 G HN 0.096 8.373 8.290 -0.023 0.000 0.494 239 E N 0.689 120.885 120.200 -0.007 0.000 2.204 239 E HA -0.294 nan 4.350 nan 0.000 0.195 239 E C 1.054 177.653 176.600 -0.002 0.000 0.990 239 E CA 2.418 58.816 56.400 -0.004 0.000 0.821 239 E CB -0.677 29.021 29.700 -0.004 0.000 0.750 239 E HN 0.511 8.866 8.360 -0.008 0.000 0.477 240 K N -3.531 116.867 120.400 -0.003 0.000 2.486 240 K HA 0.042 nan 4.320 nan 0.000 0.194 240 K C 0.552 177.154 176.600 0.003 0.000 1.033 240 K CA 0.189 56.476 56.287 0.000 0.000 1.004 240 K CB 0.028 32.528 32.500 -0.001 0.000 0.798 240 K HN -0.216 8.003 8.250 -0.006 0.028 0.495 241 G N -0.856 107.944 108.800 -0.001 0.000 2.159 241 G HA2 -0.294 nan 3.960 nan 0.000 0.227 241 G HA3 -0.294 nan 3.960 nan 0.000 0.227 241 G C -2.071 172.826 174.900 -0.006 0.000 0.986 241 G CA -0.364 44.736 45.100 -0.001 0.000 0.651 241 G HN -0.254 7.857 8.290 -0.005 0.175 0.523 242 D N -1.259 119.134 120.400 -0.012 0.000 2.339 242 D HA -0.022 nan 4.640 nan 0.000 0.256 242 D C -0.686 175.585 176.300 -0.047 0.000 1.214 242 D CA -0.373 53.615 54.000 -0.021 0.000 0.877 242 D CB -0.091 40.697 40.800 -0.020 0.000 1.111 242 D HN -0.461 7.848 8.370 -0.010 0.054 0.478 243 V N 2.733 122.605 119.914 -0.070 0.000 2.481 243 V HA 0.607 nan 4.120 nan 0.000 0.286 243 V C -1.535 174.457 176.094 -0.169 0.000 1.042 243 V CA -0.663 61.561 62.300 -0.128 0.000 0.928 243 V CB 1.164 32.878 31.823 -0.182 0.000 0.986 243 V HN 0.452 8.612 8.190 -0.051 0.000 0.462 244 A N 6.059 128.755 122.820 -0.207 0.000 2.371 244 A HA 0.965 nan 4.320 nan 0.000 0.311 244 A C -2.370 174.960 177.584 -0.424 0.000 1.068 244 A CA -1.702 50.138 52.037 -0.329 0.000 0.744 244 A CB 2.830 21.600 19.000 -0.383 0.000 1.239 244 A HN 0.396 8.446 8.150 -0.166 0.000 0.435 245 V N -3.353 116.278 119.914 -0.472 0.000 2.628 245 V HA 0.991 nan 4.120 nan 0.000 0.306 245 V C -1.803 174.034 176.094 -0.428 0.000 1.045 245 V CA -3.315 58.751 62.300 -0.391 0.000 0.905 245 V CB 1.936 33.567 31.823 -0.320 0.000 0.997 245 V HN 0.415 8.368 8.190 -0.394 0.000 0.436 246 F N 2.468 122.311 119.950 -0.178 0.000 2.430 246 F HA 0.653 nan 4.527 nan 0.000 0.362 246 F C -0.679 175.040 175.800 -0.135 0.000 1.103 246 F CA -2.042 55.914 58.000 -0.073 0.000 1.045 246 F CB 1.013 39.950 39.000 -0.105 0.000 1.276 246 F HN 0.418 8.749 8.300 0.052 0.000 0.444 247 F N 3.356 123.355 119.950 0.082 0.000 2.370 247 F HA 0.527 nan 4.527 nan 0.000 0.319 247 F C -0.353 175.221 175.800 -0.376 0.000 1.129 247 F CA 0.151 58.084 58.000 -0.111 0.000 1.109 247 F CB 2.126 41.056 39.000 -0.117 0.000 1.262 247 F HN 0.621 9.256 8.300 0.558 0.000 0.534 248 G N -3.498 105.149 108.800 -0.256 0.000 2.358 248 G HA2 0.061 nan 3.960 nan 0.000 0.303 248 G HA3 0.061 nan 3.960 nan 0.000 0.303 248 G C -2.173 172.710 174.900 -0.029 0.000 1.537 248 G CA -0.109 44.843 45.100 -0.247 0.000 0.928 248 G HN -0.434 7.809 8.290 -0.079 0.000 0.656 249 L N -0.802 120.510 121.223 0.148 0.000 2.490 249 L HA 0.226 nan 4.340 nan 0.000 0.245 249 L C 0.164 177.121 176.870 0.144 0.000 1.185 249 L CA -1.105 53.864 54.840 0.214 0.000 0.813 249 L CB 1.458 43.637 42.059 0.199 0.000 1.233 249 L HN 0.604 8.937 8.230 0.172 0.000 0.489 250 S N -0.580 115.234 115.700 0.190 0.000 2.562 250 S HA -0.131 nan 4.470 nan 0.000 0.281 250 S C 0.549 175.195 174.600 0.076 0.000 1.333 250 S CA 0.816 59.101 58.200 0.141 0.000 1.052 250 S CB 0.317 63.626 63.200 0.182 0.000 0.884 250 S HN 0.126 8.577 8.310 0.235 0.000 0.506 251 G N 4.256 113.081 108.800 0.042 0.000 2.179 251 G HA2 -0.353 nan 3.960 nan 0.000 0.260 251 G HA3 -0.353 nan 3.960 nan 0.000 0.260 251 G C 0.713 175.613 174.900 0.000 0.000 0.977 251 G CA 0.559 45.670 45.100 0.018 0.000 0.641 251 G HN 0.165 8.479 8.290 0.040 0.000 0.533 252 T N -3.331 111.223 114.554 -0.000 0.000 3.067 252 T HA 0.040 nan 4.350 nan 0.000 0.261 252 T C 0.939 175.611 174.700 -0.046 0.000 1.110 252 T CA 1.142 63.234 62.100 -0.013 0.000 1.113 252 T CB 0.232 69.104 68.868 0.006 0.000 0.917 252 T HN -0.521 7.671 8.240 0.012 0.055 0.499 253 G N 1.565 110.325 108.800 -0.066 0.000 2.164 253 G HA2 -0.308 nan 3.960 nan 0.000 0.154 253 G HA3 -0.308 nan 3.960 nan 0.000 0.154 253 G C 0.318 175.126 174.900 -0.152 0.000 1.014 253 G CA 0.076 45.114 45.100 -0.103 0.000 0.683 253 G HN 0.024 8.253 8.290 -0.057 0.027 0.500 254 K N 0.575 120.892 120.400 -0.139 0.000 2.032 254 K HA -0.370 nan 4.320 nan 0.000 0.209 254 K C 1.366 177.823 176.600 -0.238 0.000 1.048 254 K CA 3.806 59.980 56.287 -0.189 0.000 0.927 254 K CB -0.546 31.865 32.500 -0.147 0.000 0.712 254 K HN 0.391 8.579 8.250 -0.103 0.000 0.441 255 T N 1.075 115.530 114.554 -0.165 0.000 2.770 255 T HA -0.091 nan 4.350 nan 0.000 0.263 255 T C 1.930 176.536 174.700 -0.157 0.000 1.039 255 T CA 3.972 65.985 62.100 -0.146 0.000 1.142 255 T CB -0.809 67.999 68.868 -0.099 0.000 0.868 255 T HN 0.101 8.263 8.240 -0.130 0.000 0.435 256 T N 1.831 116.295 114.554 -0.149 0.000 2.746 256 T HA -0.198 nan 4.350 nan 0.000 0.267 256 T C 1.957 176.543 174.700 -0.189 0.000 1.039 256 T CA 3.156 65.171 62.100 -0.142 0.000 1.142 256 T CB -0.885 67.911 68.868 -0.120 0.000 0.866 256 T HN -0.099 8.059 8.240 -0.138 0.000 0.444 257 L N -1.188 119.874 121.223 -0.267 0.000 2.240 257 L HA -0.096 nan 4.340 nan 0.000 0.211 257 L C 1.801 178.359 176.870 -0.519 0.000 1.106 257 L CA 2.078 56.708 54.840 -0.350 0.000 0.793 257 L CB -0.146 41.699 42.059 -0.358 0.000 0.927 257 L HN 0.083 8.155 8.230 -0.265 0.000 0.446 258 S N -1.820 113.520 115.700 -0.600 0.000 2.436 258 S HA -0.096 nan 4.470 nan 0.000 0.228 258 S C 0.995 175.445 174.600 -0.249 0.000 1.014 258 S CA 1.996 59.861 58.200 -0.557 0.000 0.950 258 S CB 0.538 63.452 63.200 -0.477 0.000 0.784 258 S HN -0.686 7.317 8.310 -0.511 0.000 0.504 259 T N 6.038 120.478 114.554 -0.190 0.000 3.842 259 T HA -0.029 nan 4.350 nan 0.000 0.267 259 T C -2.018 172.622 174.700 -0.100 0.000 1.173 259 T CA 1.190 63.227 62.100 -0.105 0.000 1.142 259 T CB -1.545 67.279 68.868 -0.072 0.000 1.191 259 T HN -0.653 7.432 8.240 -0.217 0.024 0.895 260 D N 4.485 124.833 120.400 -0.088 0.000 2.381 260 D HA 0.444 nan 4.640 nan 0.000 0.235 260 D C -0.108 176.165 176.300 -0.044 0.000 1.068 260 D CA -3.662 50.298 54.000 -0.067 0.000 0.832 260 D CB 2.567 43.332 40.800 -0.059 0.000 1.101 260 D HN -0.450 7.835 8.370 -0.084 0.035 0.515 261 P HA -0.114 nan 4.420 nan 0.000 0.221 261 P C 0.086 177.372 177.300 -0.024 0.000 1.145 261 P CA 1.391 64.472 63.100 -0.032 0.000 0.795 261 P CB 0.272 31.952 31.700 -0.034 0.000 0.775 262 K N -3.929 116.457 120.400 -0.025 0.000 2.365 262 K HA -0.101 nan 4.320 nan 0.000 0.197 262 K C 0.153 176.745 176.600 -0.013 0.000 1.042 262 K CA 0.869 57.144 56.287 -0.019 0.000 0.987 262 K CB 0.678 33.166 32.500 -0.020 0.000 0.779 262 K HN -0.379 8.086 8.250 -0.029 -0.233 0.484 263 R N -1.943 118.549 120.500 -0.012 0.000 2.803 263 R HA 0.239 nan 4.340 nan 0.000 0.276 263 R C -0.872 175.424 176.300 -0.005 0.000 0.978 263 R CA -1.556 54.541 56.100 -0.006 0.000 0.939 263 R CB 2.356 32.660 30.300 0.005 0.000 1.179 263 R HN -0.379 7.722 8.270 -0.018 0.158 0.472 264 R N 0.921 121.421 120.500 -0.001 0.000 2.216 264 R HA 0.085 nan 4.340 nan 0.000 0.332 264 R C -0.709 175.593 176.300 0.004 0.000 1.056 264 R CA -0.381 55.721 56.100 0.003 0.000 0.901 264 R CB 0.653 30.957 30.300 0.006 0.000 1.039 264 R HN 0.163 8.432 8.270 -0.002 0.000 0.456 265 L N 5.624 126.851 121.223 0.006 0.000 2.410 265 L HA 0.089 nan 4.340 nan 0.000 0.273 265 L C -0.749 176.135 176.870 0.023 0.000 1.152 265 L CA 0.691 55.535 54.840 0.006 0.000 0.855 265 L CB 0.661 42.723 42.059 0.004 0.000 1.129 265 L HN 0.020 8.254 8.230 0.008 0.000 0.463 266 I N 5.528 126.113 120.570 0.026 0.000 2.729 266 I HA 0.083 nan 4.170 nan 0.000 0.256 266 I C 0.082 176.282 176.117 0.139 0.000 1.115 266 I CA 1.302 62.641 61.300 0.064 0.000 1.446 266 I CB 1.128 39.144 38.000 0.025 0.000 1.176 266 I HN 0.643 8.855 8.210 0.005 0.000 0.446 267 G N -4.208 104.710 108.800 0.198 0.000 2.523 267 G HA2 0.189 nan 3.960 nan 0.000 0.291 267 G HA3 0.189 nan 3.960 nan 0.000 0.291 267 G C -2.637 172.349 174.900 0.143 0.000 1.450 267 G CA 0.050 45.255 45.100 0.174 0.000 0.790 267 G HN -0.703 7.654 8.290 0.113 0.000 0.496 268 D N -4.093 116.316 120.400 0.015 0.000 2.500 268 D HA 0.113 nan 4.640 nan 0.000 0.217 268 D C -1.126 175.137 176.300 -0.061 0.000 1.159 268 D CA 0.185 54.165 54.000 -0.034 0.000 0.828 268 D CB 1.799 42.546 40.800 -0.089 0.000 1.039 268 D HN 0.382 8.700 8.370 -0.087 0.000 0.512 269 D N -1.707 118.631 120.400 -0.102 0.000 1.927 269 D HA 0.034 nan 4.640 nan 0.000 0.390 269 D C -1.715 174.409 176.300 -0.294 0.000 1.045 269 D CA 1.033 54.938 54.000 -0.159 0.000 0.947 269 D CB 2.595 43.281 40.800 -0.190 0.000 1.818 269 D HN 0.005 8.292 8.370 -0.139 0.000 0.543 270 E N -0.764 119.100 120.200 -0.559 0.000 2.244 270 E HA 0.448 nan 4.350 nan 0.000 0.260 270 E C -1.823 174.042 176.600 -1.224 0.000 0.884 270 E CA -0.897 55.026 56.400 -0.796 0.000 0.777 270 E CB 2.955 32.145 29.700 -0.851 0.000 1.197 270 E HN -0.182 7.811 8.360 -0.612 0.000 0.416 271 H N 3.689 122.190 119.070 -0.949 0.000 2.928 271 H HA 0.809 nan 4.556 nan 0.000 0.371 271 H C -1.098 173.601 175.328 -1.049 0.000 1.186 271 H CA -1.088 54.315 56.048 -1.075 0.000 1.134 271 H CB 4.726 34.130 29.762 -0.597 0.000 1.824 271 H HN 0.565 8.557 8.280 -0.481 0.000 0.554 272 G N -1.543 106.628 108.800 -1.048 0.000 2.489 272 G HA2 0.513 nan 3.960 nan 0.000 0.327 272 G HA3 0.513 nan 3.960 nan 0.000 0.327 272 G C -2.888 171.771 174.900 -0.402 0.000 1.189 272 G CA -1.640 43.053 45.100 -0.679 0.000 0.962 272 G HN 0.798 8.191 8.290 -1.318 0.106 0.486 273 W N 1.127 122.388 121.300 -0.064 0.000 2.728 273 W HA 0.515 nan 4.660 nan 0.000 0.324 273 W C -2.584 174.085 176.519 0.251 0.000 1.012 273 W CA -2.682 54.730 57.345 0.110 0.000 1.279 273 W CB 2.322 31.839 29.460 0.096 0.000 1.289 273 W HN 0.273 8.647 8.180 0.322 0.000 0.418 274 D N 5.187 126.007 120.400 0.701 0.000 2.624 274 D HA 0.160 nan 4.640 nan 0.000 0.257 274 D C 0.149 176.680 176.300 0.384 0.000 1.167 274 D CA -1.709 52.557 54.000 0.444 0.000 1.086 274 D CB 1.539 42.564 40.800 0.376 0.000 1.210 274 D HN -0.087 8.738 8.370 0.759 0.000 0.631 275 D N -2.630 117.929 120.400 0.265 0.000 2.263 275 D HA -0.196 nan 4.640 nan 0.000 0.208 275 D C 0.889 177.390 176.300 0.335 0.000 0.971 275 D CA 3.717 57.884 54.000 0.278 0.000 0.867 275 D CB -0.208 40.689 40.800 0.161 0.000 0.929 275 D HN 0.284 8.778 8.370 0.207 0.000 0.492 276 D N -3.819 116.693 120.400 0.186 0.000 2.327 276 D HA 0.005 nan 4.640 nan 0.000 0.205 276 D C 0.489 176.661 176.300 -0.213 0.000 0.989 276 D CA 0.918 54.960 54.000 0.069 0.000 0.873 276 D CB 1.943 42.772 40.800 0.048 0.000 0.955 276 D HN -0.396 8.276 8.370 0.184 -0.192 0.515 277 G N -3.087 105.584 108.800 -0.214 0.000 2.302 277 G HA2 -0.152 nan 3.960 nan 0.000 0.264 277 G HA3 -0.152 nan 3.960 nan 0.000 0.264 277 G C -2.863 171.999 174.900 -0.064 0.000 1.335 277 G CA -0.324 44.553 45.100 -0.372 0.000 0.982 277 G HN -0.652 7.799 8.290 0.093 -0.105 0.473 278 V N 2.126 121.874 119.914 -0.276 0.000 2.509 278 V HA 0.817 nan 4.120 nan 0.000 0.284 278 V C -1.122 175.013 176.094 0.069 0.000 1.047 278 V CA -0.450 61.702 62.300 -0.247 0.000 0.952 278 V CB -0.152 31.359 31.823 -0.521 0.000 0.988 278 V HN -0.439 7.543 8.190 -0.346 0.000 0.469 279 F N 3.036 123.001 119.950 0.024 0.000 2.578 279 F HA 0.710 nan 4.527 nan 0.000 0.311 279 F C -2.501 173.338 175.800 0.065 0.000 1.094 279 F CA -2.877 55.172 58.000 0.081 0.000 0.923 279 F CB 2.261 41.325 39.000 0.107 0.000 1.230 279 F HN 0.516 8.580 8.300 -0.393 0.000 0.450 280 N N 1.596 120.378 118.700 0.137 0.000 2.530 280 N HA 0.255 nan 4.740 nan 0.000 0.273 280 N C 0.459 176.023 175.510 0.090 0.000 1.173 280 N CA -0.647 52.268 53.050 -0.225 0.000 0.967 280 N CB 1.998 40.415 38.487 -0.116 0.000 1.109 280 N HN 0.124 8.647 8.380 0.239 0.000 0.453 281 F N 1.304 121.144 119.950 -0.183 0.000 2.530 281 F HA 0.074 nan 4.527 nan 0.000 0.292 281 F C 0.493 176.267 175.800 -0.044 0.000 1.109 281 F CA -0.077 57.915 58.000 -0.014 0.000 1.450 281 F CB 0.492 39.471 39.000 -0.035 0.000 1.114 281 F HN 0.352 8.367 8.300 -0.476 0.000 0.560 282 E N -2.106 118.087 120.200 -0.010 0.000 2.284 282 E HA 0.239 nan 4.350 nan 0.000 0.255 282 E C -0.214 176.341 176.600 -0.075 0.000 1.052 282 E CA -1.267 55.047 56.400 -0.143 0.000 0.904 282 E CB 1.979 31.477 29.700 -0.337 0.000 1.217 282 E HN -0.533 7.746 8.360 -0.135 0.000 0.438 283 G N -3.182 105.547 108.800 -0.118 0.000 3.839 283 G HA2 0.375 nan 3.960 nan 0.000 0.286 283 G HA3 0.375 nan 3.960 nan 0.000 0.286 283 G C -1.886 172.951 174.900 -0.105 0.000 1.005 283 G CA -0.452 44.627 45.100 -0.036 0.000 0.824 283 G HN 0.299 8.337 8.290 -0.230 0.115 0.489 284 G N -1.840 106.830 108.800 -0.217 0.000 2.608 284 G HA2 0.633 nan 3.960 nan 0.000 0.291 284 G HA3 0.633 nan 3.960 nan 0.000 0.291 284 G C -1.889 172.798 174.900 -0.354 0.000 1.425 284 G CA -0.140 44.788 45.100 -0.286 0.000 0.787 284 G HN -0.862 7.276 8.290 -0.254 0.000 0.484 285 C N -0.386 118.615 119.300 -0.499 0.000 2.529 285 C HA 0.333 nan 4.460 nan 0.000 0.329 285 C C -1.711 172.902 174.990 -0.628 0.000 1.194 285 C CA -1.328 57.378 59.018 -0.520 0.000 1.779 285 C CB 3.463 30.958 27.740 -0.408 0.000 2.322 285 C HN 0.324 8.187 8.230 -0.611 0.000 0.500 286 Y N 4.382 124.384 120.300 -0.497 0.000 2.749 286 Y HA 0.148 nan 4.550 nan 0.000 0.343 286 Y C -1.901 173.878 175.900 -0.201 0.000 1.015 286 Y CA -1.500 56.387 58.100 -0.355 0.000 1.270 286 Y CB 0.161 38.482 38.460 -0.232 0.000 1.097 286 Y HN -0.337 8.065 8.280 -0.175 -0.227 0.571 287 A N 7.093 129.784 122.820 -0.215 0.000 2.322 287 A HA 0.281 nan 4.320 nan 0.000 0.269 287 A C -1.691 175.782 177.584 -0.186 0.000 1.094 287 A CA -0.921 51.036 52.037 -0.133 0.000 0.807 287 A CB 2.217 21.244 19.000 0.045 0.000 1.047 287 A HN -0.075 7.928 8.150 -0.246 0.000 0.487 288 K N 0.896 121.212 120.400 -0.139 0.000 2.205 288 K HA 0.144 nan 4.320 nan 0.000 0.279 288 K C 0.335 176.902 176.600 -0.055 0.000 1.027 288 K CA 0.198 56.417 56.287 -0.112 0.000 0.932 288 K CB 0.687 33.137 32.500 -0.084 0.000 1.032 288 K HN 0.216 8.398 8.250 -0.112 0.000 0.466 289 T N -2.320 112.229 114.554 -0.008 0.000 3.044 289 T HA 0.312 nan 4.350 nan 0.000 0.260 289 T C 0.302 175.064 174.700 0.103 0.000 1.019 289 T CA -0.597 61.532 62.100 0.048 0.000 0.921 289 T CB 0.652 69.641 68.868 0.201 0.000 1.053 289 T HN 0.639 8.873 8.240 -0.010 0.000 0.533 290 I N -0.994 119.614 120.570 0.063 0.000 2.668 290 I HA -0.189 nan 4.170 nan 0.000 0.285 290 I C -0.003 176.147 176.117 0.055 0.000 1.168 290 I CA -1.175 60.169 61.300 0.072 0.000 1.424 290 I CB -1.452 36.572 38.000 0.039 0.000 1.377 290 I HN -0.747 7.481 8.210 0.029 0.000 0.560 291 K N 2.058 122.511 120.400 0.089 0.000 3.016 291 K HA -0.436 nan 4.320 nan 0.000 0.262 291 K C -0.366 176.237 176.600 0.006 0.000 1.043 291 K CA 0.868 57.191 56.287 0.060 0.000 0.761 291 K CB -2.031 30.487 32.500 0.030 0.000 1.230 291 K HN 0.119 8.355 8.250 0.129 0.091 0.485 292 L N -0.902 120.301 121.223 -0.034 0.000 2.540 292 L HA -0.120 nan 4.340 nan 0.000 0.276 292 L C -0.941 175.831 176.870 -0.164 0.000 1.212 292 L CA 1.030 55.758 54.840 -0.187 0.000 0.893 292 L CB 0.616 42.370 42.059 -0.510 0.000 1.138 292 L HN -0.625 7.613 8.230 0.048 0.022 0.491 293 S N 5.161 120.776 115.700 -0.142 0.000 2.478 293 S HA 0.171 nan 4.470 nan 0.000 0.312 293 S C 0.098 174.570 174.600 -0.215 0.000 1.094 293 S CA -1.636 56.474 58.200 -0.150 0.000 1.081 293 S CB 1.383 64.517 63.200 -0.110 0.000 1.007 293 S HN 0.278 8.510 8.310 -0.130 0.000 0.475 294 K N 7.734 127.911 120.400 -0.371 0.000 2.097 294 K HA -0.226 nan 4.320 nan 0.000 0.205 294 K C 0.793 177.209 176.600 -0.307 0.000 1.050 294 K CA 2.630 58.570 56.287 -0.579 0.000 0.938 294 K CB -0.075 31.856 32.500 -0.950 0.000 0.718 294 K HN 0.734 8.771 8.250 -0.355 0.000 0.442 295 E N -2.224 117.842 120.200 -0.223 0.000 2.072 295 E HA -0.115 nan 4.350 nan 0.000 0.190 295 E C 0.773 177.302 176.600 -0.120 0.000 0.982 295 E CA 2.138 58.448 56.400 -0.150 0.000 0.803 295 E CB -0.047 29.581 29.700 -0.120 0.000 0.755 295 E HN -0.316 7.891 8.360 -0.224 0.019 0.453 296 A N -2.283 120.468 122.820 -0.116 0.000 2.016 296 A HA -0.037 nan 4.320 nan 0.000 0.217 296 A C -0.324 177.204 177.584 -0.094 0.000 1.162 296 A CA 1.789 53.768 52.037 -0.097 0.000 0.662 296 A CB 1.136 20.082 19.000 -0.091 0.000 0.812 296 A HN -0.642 7.432 8.150 -0.127 0.000 0.450 297 E N -4.403 115.737 120.200 -0.100 0.000 3.666 297 E HA 0.481 nan 4.350 nan 0.000 0.230 297 E C -2.403 174.161 176.600 -0.060 0.000 1.235 297 E CA -3.347 53.005 56.400 -0.080 0.000 1.096 297 E CB -0.228 29.426 29.700 -0.076 0.000 1.287 297 E HN -0.340 7.947 8.360 -0.120 0.000 0.406 298 P HA -0.225 nan 4.420 nan 0.000 0.215 298 P C 1.068 178.361 177.300 -0.011 0.000 1.153 298 P CA 2.512 65.585 63.100 -0.045 0.000 0.853 298 P CB 0.080 31.741 31.700 -0.064 0.000 0.788 299 E N -1.378 118.798 120.200 -0.039 0.000 2.077 299 E HA -0.267 nan 4.350 nan 0.000 0.193 299 E C 2.285 178.833 176.600 -0.087 0.000 0.989 299 E CA 3.308 59.674 56.400 -0.056 0.000 0.800 299 E CB -0.891 28.776 29.700 -0.055 0.000 0.746 299 E HN 0.344 8.676 8.360 -0.047 0.000 0.452 300 I N -1.664 118.866 120.570 -0.066 0.000 2.353 300 I HA -0.327 nan 4.170 nan 0.000 0.248 300 I C 2.473 178.516 176.117 -0.123 0.000 1.119 300 I CA 2.844 64.090 61.300 -0.091 0.000 1.417 300 I CB -0.041 37.947 38.000 -0.020 0.000 1.078 300 I HN -0.723 7.459 8.210 -0.046 0.000 0.421 301 Y N 1.221 121.414 120.300 -0.178 0.000 2.181 301 Y HA -0.455 nan 4.550 nan 0.000 0.288 301 Y C 1.629 177.438 175.900 -0.150 0.000 1.146 301 Y CA 4.239 62.228 58.100 -0.185 0.000 1.164 301 Y CB 0.126 38.477 38.460 -0.181 0.000 0.982 301 Y HN -0.296 8.022 8.280 0.062 0.000 0.515 302 N N -1.509 117.193 118.700 0.004 0.000 2.550 302 N HA -0.256 nan 4.740 nan 0.000 0.186 302 N C 0.846 176.236 175.510 -0.200 0.000 1.110 302 N CA 2.242 55.253 53.050 -0.065 0.000 0.912 302 N CB -0.192 38.280 38.487 -0.024 0.000 0.968 302 N HN 0.146 8.555 8.380 0.048 0.000 0.448 303 A N -0.453 122.186 122.820 -0.301 0.000 2.123 303 A HA 0.002 nan 4.320 nan 0.000 0.214 303 A C -0.758 176.651 177.584 -0.292 0.000 1.152 303 A CA 0.872 52.644 52.037 -0.443 0.000 0.728 303 A CB 0.288 18.683 19.000 -1.010 0.000 0.814 303 A HN -0.521 7.270 8.150 -0.287 0.186 0.464 304 I N 0.010 120.422 120.570 -0.263 0.000 2.293 304 I HA -0.120 nan 4.170 nan 0.000 0.299 304 I C -1.127 174.925 176.117 -0.108 0.000 1.153 304 I CA 0.630 61.843 61.300 -0.146 0.000 1.302 304 I CB -1.989 35.895 38.000 -0.193 0.000 1.460 304 I HN -0.803 7.064 8.210 -0.317 0.153 0.552 305 R N 3.629 124.116 120.500 -0.021 0.000 2.909 305 R HA 0.323 nan 4.340 nan 0.000 0.262 305 R C -1.652 174.689 176.300 0.069 0.000 1.095 305 R CA -2.693 53.395 56.100 -0.020 0.000 0.965 305 R CB 1.698 31.928 30.300 -0.116 0.000 1.300 305 R HN -0.586 7.719 8.270 0.057 0.000 0.442 306 R N 0.072 120.599 120.500 0.045 0.000 2.538 306 R HA -0.331 nan 4.340 nan 0.000 0.282 306 R C -0.710 175.650 176.300 0.101 0.000 1.009 306 R CA 2.441 58.587 56.100 0.077 0.000 1.063 306 R CB -0.144 30.139 30.300 -0.028 0.000 0.945 306 R HN 0.471 8.739 8.270 -0.002 0.000 0.414 307 D N -0.990 119.497 120.400 0.145 0.000 2.277 307 D HA -0.264 nan 4.640 nan 0.000 0.167 307 D C -1.097 175.305 176.300 0.169 0.000 0.974 307 D CA 1.798 55.841 54.000 0.071 0.000 1.013 307 D CB -0.640 39.945 40.800 -0.358 0.000 1.086 307 D HN 0.362 8.872 8.370 0.232 0.000 0.498 308 A N -1.548 121.355 122.820 0.139 0.000 2.304 308 A HA 0.514 nan 4.320 nan 0.000 0.271 308 A C -2.063 175.555 177.584 0.058 0.000 1.091 308 A CA -0.035 52.042 52.037 0.067 0.000 0.812 308 A CB 1.311 20.384 19.000 0.121 0.000 1.056 308 A HN -0.170 8.004 8.150 0.185 0.087 0.489 309 L N 0.063 121.265 121.223 -0.036 0.000 2.377 309 L HA 0.562 nan 4.340 nan 0.000 0.270 309 L C -1.821 175.055 176.870 0.010 0.000 0.991 309 L CA -1.053 53.750 54.840 -0.062 0.000 0.851 309 L CB 2.532 44.437 42.059 -0.258 0.000 1.218 309 L HN 0.348 8.562 8.230 -0.027 0.000 0.420 310 L N 7.132 128.362 121.223 0.011 0.000 2.397 310 L HA 0.268 nan 4.340 nan 0.000 0.271 310 L C -1.055 175.788 176.870 -0.045 0.000 1.148 310 L CA 0.511 55.358 54.840 0.011 0.000 0.825 310 L CB 0.587 42.647 42.059 0.002 0.000 1.117 310 L HN 0.476 8.713 8.230 0.012 0.000 0.456 311 E N 0.460 120.648 120.200 -0.020 0.000 2.224 311 E HA 0.289 nan 4.350 nan 0.000 0.265 311 E C -0.532 176.039 176.600 -0.047 0.000 0.878 311 E CA -1.172 55.192 56.400 -0.059 0.000 0.759 311 E CB 2.063 31.784 29.700 0.035 0.000 1.164 311 E HN 0.614 8.985 8.360 0.019 0.000 0.414 312 N N 1.877 120.522 118.700 -0.092 0.000 2.681 312 N HA -0.512 nan 4.740 nan 0.000 0.250 312 N C -0.714 174.759 175.510 -0.062 0.000 1.133 312 N CA 1.615 54.619 53.050 -0.075 0.000 0.732 312 N CB -1.047 37.407 38.487 -0.055 0.000 1.107 312 N HN 0.597 8.890 8.380 -0.145 0.000 0.559 313 V N -8.797 111.075 119.914 -0.070 0.000 2.953 313 V HA 0.333 nan 4.120 nan 0.000 0.304 313 V C 0.437 176.467 176.094 -0.108 0.000 1.073 313 V CA -1.982 60.266 62.300 -0.086 0.000 1.064 313 V CB 0.393 32.142 31.823 -0.122 0.000 1.047 313 V HN -0.652 7.437 8.190 -0.076 0.056 0.478 314 T N 5.146 119.627 114.554 -0.122 0.000 2.744 314 T HA 0.273 nan 4.350 nan 0.000 0.291 314 T C -1.299 173.318 174.700 -0.139 0.000 0.957 314 T CA 0.233 62.268 62.100 -0.109 0.000 1.002 314 T CB -0.338 68.480 68.868 -0.083 0.000 0.919 314 T HN 0.419 8.580 8.240 -0.132 0.000 0.468 315 V N 1.226 121.072 119.914 -0.113 0.000 2.435 315 V HA 0.729 nan 4.120 nan 0.000 0.290 315 V C -0.630 175.417 176.094 -0.078 0.000 1.030 315 V CA -2.543 59.691 62.300 -0.111 0.000 0.881 315 V CB 1.140 32.905 31.823 -0.098 0.000 0.983 315 V HN 0.291 8.425 8.190 -0.093 0.000 0.445 316 R N 4.990 125.447 120.500 -0.072 0.000 2.543 316 R HA 0.179 nan 4.340 nan 0.000 0.268 316 R C 1.482 177.758 176.300 -0.040 0.000 1.067 316 R CA -0.806 55.264 56.100 -0.050 0.000 1.142 316 R CB 0.707 30.981 30.300 -0.044 0.000 1.110 316 R HN 0.721 8.940 8.270 -0.085 0.000 0.549 317 E N 3.066 123.248 120.200 -0.030 0.000 2.171 317 E HA -0.287 nan 4.350 nan 0.000 0.197 317 E C 0.181 176.769 176.600 -0.020 0.000 0.997 317 E CA 2.418 58.804 56.400 -0.023 0.000 0.810 317 E CB -0.899 28.790 29.700 -0.018 0.000 0.738 317 E HN 0.468 8.811 8.360 -0.029 0.000 0.467 318 D N -2.980 117.408 120.400 -0.019 0.000 2.323 318 D HA -0.089 nan 4.640 nan 0.000 0.239 318 D C 1.073 177.364 176.300 -0.015 0.000 1.129 318 D CA -0.961 53.031 54.000 -0.013 0.000 0.865 318 D CB -0.928 39.866 40.800 -0.010 0.000 0.913 318 D HN -0.339 7.990 8.370 -0.022 0.028 0.517 319 G N 0.279 109.065 108.800 -0.023 0.000 2.234 319 G HA2 -0.401 nan 3.960 nan 0.000 0.260 319 G HA3 -0.401 nan 3.960 nan 0.000 0.260 319 G C -0.592 174.284 174.900 -0.039 0.000 0.987 319 G CA 0.471 45.555 45.100 -0.026 0.000 0.625 319 G HN 0.151 8.322 8.290 -0.027 0.102 0.532 320 T N -1.456 113.074 114.554 -0.039 0.000 2.913 320 T HA 0.257 nan 4.350 nan 0.000 0.297 320 T C -0.601 174.031 174.700 -0.114 0.000 1.029 320 T CA -0.524 61.545 62.100 -0.052 0.000 1.104 320 T CB 0.875 69.729 68.868 -0.023 0.000 0.964 320 T HN -0.898 7.407 8.240 -0.030 -0.083 0.532 321 I N 1.590 122.043 120.570 -0.195 0.000 2.385 321 I HA 0.381 nan 4.170 nan 0.000 0.294 321 I C -0.702 175.180 176.117 -0.391 0.000 0.988 321 I CA -0.453 60.614 61.300 -0.388 0.000 1.265 321 I CB 1.075 38.629 38.000 -0.743 0.000 1.388 321 I HN 0.162 8.278 8.210 -0.157 0.000 0.480 322 D N 6.383 126.592 120.400 -0.319 0.000 2.485 322 D HA 0.184 nan 4.640 nan 0.000 0.229 322 D C 0.362 176.563 176.300 -0.165 0.000 1.101 322 D CA -2.330 51.571 54.000 -0.165 0.000 0.906 322 D CB -0.406 40.342 40.800 -0.086 0.000 1.019 322 D HN 0.161 8.352 8.370 -0.298 0.000 0.516 323 F N 4.091 124.053 119.950 0.020 0.000 2.333 323 F HA -0.304 nan 4.527 nan 0.000 0.300 323 F C 1.368 177.173 175.800 0.009 0.000 1.083 323 F CA 2.770 60.781 58.000 0.018 0.000 1.395 323 F CB 0.067 39.094 39.000 0.044 0.000 1.056 323 F HN -0.039 8.259 8.300 -0.004 0.000 0.529 324 D N -2.231 118.265 120.400 0.159 0.000 2.277 324 D HA -0.142 nan 4.640 nan 0.000 0.208 324 D C -0.193 176.137 176.300 0.050 0.000 0.962 324 D CA 1.712 55.768 54.000 0.092 0.000 0.865 324 D CB -0.105 40.735 40.800 0.067 0.000 0.939 324 D HN -0.603 7.959 8.370 0.145 -0.104 0.510 325 D N -0.084 120.331 120.400 0.026 0.000 2.358 325 D HA -0.045 nan 4.640 nan 0.000 0.258 325 D C 0.185 176.485 176.300 0.001 0.000 1.223 325 D CA 0.308 54.309 54.000 0.002 0.000 0.886 325 D CB 0.437 41.224 40.800 -0.021 0.000 1.120 325 D HN -0.782 7.697 8.370 0.020 -0.096 0.482 326 G N 3.170 111.971 108.800 0.001 0.000 3.899 326 G HA2 0.314 nan 3.960 nan 0.000 0.293 326 G HA3 0.314 nan 3.960 nan 0.000 0.293 326 G C -0.024 174.867 174.900 -0.015 0.000 1.054 326 G CA -0.932 44.166 45.100 -0.003 0.000 0.846 326 G HN -0.009 8.283 8.290 0.002 0.000 0.525 327 S N 0.513 116.201 115.700 -0.020 0.000 2.382 327 S HA -0.194 nan 4.470 nan 0.000 0.228 327 S C 1.111 175.691 174.600 -0.034 0.000 1.027 327 S CA 2.644 60.829 58.200 -0.025 0.000 0.991 327 S CB -0.030 63.155 63.200 -0.025 0.000 0.823 327 S HN -0.571 7.861 8.310 -0.019 -0.133 0.469 328 K N -1.053 119.324 120.400 -0.038 0.000 2.062 328 K HA -0.041 nan 4.320 nan 0.000 0.205 328 K C -0.512 176.056 176.600 -0.054 0.000 1.051 328 K CA 0.716 56.974 56.287 -0.049 0.000 0.941 328 K CB 0.705 33.173 32.500 -0.053 0.000 0.719 328 K HN 0.092 8.321 8.250 -0.036 0.000 0.440 329 T N -5.295 109.233 114.554 -0.043 0.000 2.843 329 T HA 0.089 nan 4.350 nan 0.000 0.337 329 T C -1.297 173.388 174.700 -0.025 0.000 1.754 329 T CA -0.075 62.000 62.100 -0.043 0.000 1.052 329 T CB 0.973 69.808 68.868 -0.056 0.000 1.588 329 T HN -0.613 7.606 8.240 -0.035 0.000 0.493 330 E N -0.106 120.081 120.200 -0.021 0.000 2.318 330 E HA -0.032 nan 4.350 nan 0.000 0.193 330 E C 0.511 177.107 176.600 -0.006 0.000 0.998 330 E CA 0.698 57.094 56.400 -0.006 0.000 0.859 330 E CB 0.454 30.153 29.700 -0.001 0.000 0.812 330 E HN 0.203 8.547 8.360 -0.027 0.000 0.492 331 N N 1.587 120.276 118.700 -0.017 0.000 2.878 331 N HA -0.032 nan 4.740 nan 0.000 0.282 331 N C -1.148 174.355 175.510 -0.012 0.000 1.284 331 N CA -0.395 52.645 53.050 -0.017 0.000 1.053 331 N CB -0.345 38.127 38.487 -0.025 0.000 1.382 331 N HN -0.611 7.715 8.380 -0.027 0.038 0.529 332 T N -1.506 113.043 114.554 -0.007 0.000 2.884 332 T HA 0.177 nan 4.350 nan 0.000 0.298 332 T C -1.009 173.679 174.700 -0.019 0.000 0.998 332 T CA -0.256 61.847 62.100 0.004 0.000 1.124 332 T CB 0.904 69.791 68.868 0.031 0.000 0.931 332 T HN -0.481 7.661 8.240 -0.002 0.097 0.531 333 R N 1.921 122.407 120.500 -0.022 0.000 2.831 333 R HA 0.987 nan 4.340 nan 0.000 0.266 333 R C -2.704 173.600 176.300 0.007 0.000 1.051 333 R CA -0.691 55.347 56.100 -0.103 0.000 0.943 333 R CB 5.154 35.211 30.300 -0.405 0.000 1.228 333 R HN -0.082 8.196 8.270 0.013 0.000 0.467 334 V N -0.863 119.053 119.914 0.004 0.000 2.752 334 V HA 0.592 nan 4.120 nan 0.000 0.302 334 V C -2.706 173.454 176.094 0.109 0.000 1.133 334 V CA -1.737 60.630 62.300 0.111 0.000 0.919 334 V CB 3.855 35.770 31.823 0.154 0.000 1.026 334 V HN 0.131 8.249 8.190 -0.120 0.000 0.429 335 S N 7.985 123.743 115.700 0.097 0.000 2.608 335 S HA 0.929 nan 4.470 nan 0.000 0.291 335 S C -1.590 172.894 174.600 -0.193 0.000 1.146 335 S CA -2.192 55.922 58.200 -0.144 0.000 1.043 335 S CB 2.229 65.272 63.200 -0.261 0.000 1.037 335 S HN 0.199 8.574 8.310 0.108 0.000 0.520 336 Y N -5.685 114.463 120.300 -0.255 0.000 2.565 336 Y HA 0.446 nan 4.550 nan 0.000 0.330 336 Y C -3.142 172.465 175.900 -0.488 0.000 1.150 336 Y CA -2.440 55.401 58.100 -0.432 0.000 1.055 336 Y CB 0.676 38.876 38.460 -0.433 0.000 1.337 336 Y HN 0.168 7.981 8.280 -0.779 0.000 0.457 337 P HA -0.044 nan 4.420 nan 0.000 0.268 337 P C 0.284 177.373 177.300 -0.351 0.000 1.205 337 P CA -0.157 62.678 63.100 -0.442 0.000 0.771 337 P CB 0.781 32.081 31.700 -0.666 0.000 0.858 338 I N 2.469 122.948 120.570 -0.151 0.000 2.315 338 I HA -0.484 nan 4.170 nan 0.000 0.251 338 I C 0.766 176.917 176.117 0.056 0.000 1.125 338 I CA 3.075 64.372 61.300 -0.005 0.000 1.392 338 I CB 0.342 38.355 38.000 0.022 0.000 1.065 338 I HN -0.149 7.990 8.210 -0.119 0.000 0.424 339 Y N -4.866 115.506 120.300 0.121 0.000 2.680 339 Y HA -0.329 nan 4.550 nan 0.000 0.303 339 Y C 0.772 176.765 175.900 0.155 0.000 1.166 339 Y CA 0.091 58.263 58.100 0.119 0.000 1.344 339 Y CB -1.828 36.693 38.460 0.101 0.000 1.002 339 Y HN -0.141 8.070 8.280 -0.070 0.027 0.537 340 H N -0.985 117.954 119.070 -0.217 0.000 2.546 340 H HA -0.147 nan 4.556 nan 0.000 0.277 340 H C -0.162 175.075 175.328 -0.152 0.000 1.004 340 H CA 1.424 57.349 56.048 -0.206 0.000 1.231 340 H CB 0.754 30.301 29.762 -0.358 0.000 1.382 340 H HN -0.583 7.566 8.280 -0.094 0.075 0.580 341 I N -1.520 119.075 120.570 0.042 0.000 2.336 341 I HA -0.147 nan 4.170 nan 0.000 0.292 341 I C -0.603 175.534 176.117 0.033 0.000 0.991 341 I CA -1.949 59.356 61.300 0.009 0.000 1.227 341 I CB -0.259 37.765 38.000 0.040 0.000 1.366 341 I HN -0.639 7.565 8.210 0.091 0.060 0.466 342 D N 6.168 126.571 120.400 0.006 0.000 2.084 342 D HA -0.164 nan 4.640 nan 0.000 0.194 342 D C 0.553 176.866 176.300 0.021 0.000 0.990 342 D CA 2.887 56.895 54.000 0.013 0.000 0.826 342 D CB 0.531 41.327 40.800 -0.007 0.000 0.971 342 D HN 0.082 8.613 8.370 -0.018 -0.172 0.453 343 N N 0.197 118.903 118.700 0.011 0.000 2.719 343 N HA 0.148 nan 4.740 nan 0.000 0.243 343 N C -1.819 173.703 175.510 0.020 0.000 1.104 343 N CA -0.465 52.591 53.050 0.011 0.000 0.981 343 N CB -0.227 38.260 38.487 -0.001 0.000 1.290 343 N HN -0.480 7.901 8.380 0.002 0.000 0.513 344 I N -4.078 116.512 120.570 0.034 0.000 3.042 344 I HA 0.689 nan 4.170 nan 0.000 0.310 344 I C -1.392 174.750 176.117 0.041 0.000 1.117 344 I CA -2.184 59.141 61.300 0.042 0.000 1.003 344 I CB 3.924 41.963 38.000 0.065 0.000 1.228 344 I HN -0.668 7.564 8.210 0.037 0.000 0.443 345 V N 3.690 123.629 119.914 0.042 0.000 2.470 345 V HA -0.096 nan 4.120 nan 0.000 0.276 345 V C -0.841 175.284 176.094 0.052 0.000 1.040 345 V CA 0.588 62.911 62.300 0.040 0.000 1.008 345 V CB -0.971 30.874 31.823 0.036 0.000 0.990 345 V HN 0.110 8.326 8.190 0.042 0.000 0.477 346 K N 6.056 126.484 120.400 0.046 0.000 2.435 346 K HA 0.484 nan 4.320 nan 0.000 0.251 346 K C -1.693 174.931 176.600 0.039 0.000 0.954 346 K CA -2.764 53.553 56.287 0.050 0.000 0.820 346 K CB 1.641 34.169 32.500 0.047 0.000 1.292 346 K HN -0.051 8.221 8.250 0.037 0.000 0.436 347 P HA 0.048 nan 4.420 nan 0.000 0.245 347 P C -1.748 175.589 177.300 0.062 0.000 1.203 347 P CA 0.608 63.738 63.100 0.049 0.000 0.792 347 P CB 0.759 32.484 31.700 0.040 0.000 0.997 348 V N 0.656 120.604 119.914 0.056 0.000 2.459 348 V HA 0.183 nan 4.120 nan 0.000 0.295 348 V C -0.418 175.720 176.094 0.073 0.000 1.029 348 V CA -0.806 61.532 62.300 0.064 0.000 0.874 348 V CB 1.752 33.603 31.823 0.046 0.000 0.985 348 V HN -0.481 7.689 8.190 0.047 0.049 0.438 349 S N 8.877 124.632 115.700 0.092 0.000 3.517 349 S HA 0.093 nan 4.470 nan 0.000 0.284 349 S C -1.827 172.850 174.600 0.129 0.000 1.260 349 S CA 0.633 58.892 58.200 0.099 0.000 0.975 349 S CB -1.036 62.220 63.200 0.093 0.000 1.540 349 S HN 0.518 8.888 8.310 0.100 0.000 0.506 350 K N 1.066 121.527 120.400 0.102 0.000 2.607 350 K HA 0.796 nan 4.320 nan 0.000 0.287 350 K C -2.105 174.522 176.600 0.044 0.000 0.996 350 K CA -1.004 55.350 56.287 0.111 0.000 0.876 350 K CB 3.508 36.094 32.500 0.144 0.000 1.496 350 K HN -0.349 7.918 8.250 0.074 0.027 0.415 351 A N -0.264 122.561 122.820 0.009 0.000 2.524 351 A HA 0.398 nan 4.320 nan 0.000 0.303 351 A C -1.391 176.150 177.584 -0.071 0.000 1.195 351 A CA -0.698 51.322 52.037 -0.030 0.000 0.651 351 A CB 2.472 21.442 19.000 -0.050 0.000 1.323 351 A HN 0.672 8.833 8.150 0.018 0.000 0.479 352 G N -3.272 105.486 108.800 -0.069 0.000 2.525 352 G HA2 -0.022 nan 3.960 nan 0.000 0.276 352 G HA3 -0.022 nan 3.960 nan 0.000 0.276 352 G C -0.194 174.607 174.900 -0.165 0.000 1.388 352 G CA -0.824 44.230 45.100 -0.077 0.000 1.050 352 G HN 0.138 8.401 8.290 -0.045 0.000 0.520 353 H N -0.746 118.346 119.070 0.037 0.000 2.848 353 H HA -0.153 nan 4.556 nan 0.000 0.341 353 H C -0.427 174.853 175.328 -0.080 0.000 1.060 353 H CA 0.179 56.274 56.048 0.078 0.000 1.444 353 H CB 0.964 30.933 29.762 0.345 0.000 1.446 353 H HN 0.225 8.619 8.280 0.190 0.000 0.583 354 A N 3.043 125.689 122.820 -0.291 0.000 2.440 354 A HA 0.044 nan 4.320 nan 0.000 0.251 354 A C -0.381 177.237 177.584 0.056 0.000 1.089 354 A CA 0.309 52.185 52.037 -0.269 0.000 0.779 354 A CB 0.691 19.331 19.000 -0.600 0.000 1.022 354 A HN 0.187 7.832 8.150 -0.842 0.000 0.492 355 T N -4.529 110.042 114.554 0.028 0.000 3.010 355 T HA 0.220 nan 4.350 nan 0.000 0.257 355 T C 0.382 175.120 174.700 0.063 0.000 1.020 355 T CA 0.006 62.153 62.100 0.078 0.000 0.938 355 T CB 1.012 69.915 68.868 0.059 0.000 1.049 355 T HN 0.261 8.479 8.240 -0.037 0.000 0.522 356 K N 1.352 121.760 120.400 0.013 0.000 2.502 356 K HA 0.663 nan 4.320 nan 0.000 0.254 356 K C -2.290 174.292 176.600 -0.031 0.000 0.947 356 K CA -1.295 55.013 56.287 0.035 0.000 0.834 356 K CB 2.129 34.587 32.500 -0.070 0.000 1.112 356 K HN -0.652 7.572 8.250 -0.044 0.000 0.427 357 V N 5.934 125.871 119.914 0.039 0.000 2.378 357 V HA 0.688 nan 4.120 nan 0.000 0.288 357 V C -1.572 174.510 176.094 -0.019 0.000 1.016 357 V CA -0.858 61.459 62.300 0.030 0.000 0.840 357 V CB 1.462 33.326 31.823 0.068 0.000 0.994 357 V HN 0.823 9.065 8.190 0.088 0.000 0.431 358 I N 6.092 126.662 120.570 -0.001 0.000 2.378 358 I HA 0.571 nan 4.170 nan 0.000 0.291 358 I C -1.351 174.961 176.117 0.325 0.000 0.992 358 I CA -1.412 59.916 61.300 0.046 0.000 1.154 358 I CB 1.951 39.887 38.000 -0.106 0.000 1.315 358 I HN 0.693 8.878 8.210 -0.042 0.000 0.448 359 F N 6.390 126.386 119.950 0.077 0.000 2.391 359 F HA 0.538 nan 4.527 nan 0.000 0.359 359 F C -1.348 174.427 175.800 -0.042 0.000 1.122 359 F CA -3.320 54.647 58.000 -0.056 0.000 1.120 359 F CB -0.171 38.863 39.000 0.057 0.000 1.142 359 F HN 0.649 9.038 8.300 0.148 0.000 0.483 360 L N 3.441 124.694 121.223 0.051 0.000 2.325 360 L HA 0.726 nan 4.340 nan 0.000 0.279 360 L C -1.464 175.439 176.870 0.054 0.000 1.054 360 L CA -0.867 54.011 54.840 0.064 0.000 0.804 360 L CB 1.385 43.470 42.059 0.043 0.000 1.200 360 L HN 0.289 8.470 8.230 -0.083 0.000 0.436 361 T N 2.589 117.221 114.554 0.130 0.000 2.993 361 T HA 0.358 nan 4.350 nan 0.000 0.312 361 T C -2.420 172.363 174.700 0.137 0.000 1.115 361 T CA -0.909 61.295 62.100 0.174 0.000 1.027 361 T CB 3.428 72.505 68.868 0.349 0.000 1.116 361 T HN 0.257 8.571 8.240 0.124 0.000 0.464 362 A N 6.995 129.876 122.820 0.103 0.000 2.444 362 A HA 0.493 nan 4.320 nan 0.000 0.332 362 A C -2.122 175.637 177.584 0.291 0.000 1.430 362 A CA -2.103 50.027 52.037 0.156 0.000 0.975 362 A CB 0.957 20.046 19.000 0.148 0.000 1.147 362 A HN 0.171 8.355 8.150 0.056 0.000 0.524 363 D N 4.732 125.369 120.400 0.394 0.000 2.374 363 D HA 0.071 nan 4.640 nan 0.000 0.240 363 D C 0.148 176.829 176.300 0.635 0.000 1.229 363 D CA -1.089 53.234 54.000 0.538 0.000 0.895 363 D CB 1.145 42.291 40.800 0.577 0.000 1.046 363 D HN -0.122 8.751 8.370 0.327 -0.307 0.498 364 A N 6.088 129.136 122.820 0.379 0.000 2.209 364 A HA -0.019 nan 4.320 nan 0.000 0.212 364 A C 0.686 178.197 177.584 -0.120 0.000 1.158 364 A CA 1.901 53.853 52.037 -0.141 0.000 0.742 364 A CB -0.397 18.260 19.000 -0.571 0.000 0.790 364 A HN 0.138 8.470 8.150 0.304 0.000 0.472 365 F N -4.313 115.751 119.950 0.190 0.000 2.615 365 F HA -0.189 nan 4.527 nan 0.000 0.297 365 F C 0.026 175.977 175.800 0.251 0.000 1.124 365 F CA 0.776 58.888 58.000 0.186 0.000 1.451 365 F CB 0.490 39.617 39.000 0.211 0.000 1.103 365 F HN -0.582 8.333 8.300 0.678 -0.209 0.569 366 G N -1.901 107.188 108.800 0.482 0.000 2.273 366 G HA2 -0.429 nan 3.960 nan 0.000 0.280 366 G HA3 -0.429 nan 3.960 nan 0.000 0.280 366 G C 0.004 175.226 174.900 0.538 0.000 1.047 366 G CA 0.897 46.282 45.100 0.476 0.000 0.869 366 G HN -0.599 7.845 8.290 0.507 0.150 0.502 367 V N -0.538 119.630 119.914 0.423 0.000 2.806 367 V HA 0.111 nan 4.120 nan 0.000 0.239 367 V C 0.663 176.972 176.094 0.359 0.000 1.113 367 V CA 1.530 64.032 62.300 0.337 0.000 1.137 367 V CB 1.439 33.256 31.823 -0.010 0.000 0.865 367 V HN -0.240 8.510 8.190 0.415 -0.310 0.482 368 L N 0.335 121.651 121.223 0.154 0.000 2.456 368 L HA 0.050 nan 4.340 nan 0.000 0.272 368 L C -1.583 175.364 176.870 0.128 0.000 1.189 368 L CA -0.844 54.023 54.840 0.046 0.000 0.846 368 L CB -0.695 41.389 42.059 0.041 0.000 1.111 368 L HN -0.230 8.465 8.230 0.189 -0.352 0.475 369 P HA 0.278 nan 4.420 nan 0.000 0.272 369 P C -1.669 175.658 177.300 0.045 0.000 1.223 369 P CA -2.193 60.935 63.100 0.047 0.000 0.784 369 P CB -0.044 31.648 31.700 -0.015 0.000 0.923 370 P HA -0.200 nan 4.420 nan 0.000 0.216 370 P C -1.192 176.119 177.300 0.019 0.000 1.153 370 P CA 1.940 65.055 63.100 0.025 0.000 0.858 370 P CB 0.270 31.974 31.700 0.008 0.000 0.789 371 V N -5.206 114.710 119.914 0.004 0.000 2.932 371 V HA 0.395 nan 4.120 nan 0.000 0.307 371 V C -2.363 173.727 176.094 -0.006 0.000 1.147 371 V CA -1.452 60.853 62.300 0.008 0.000 0.951 371 V CB 3.104 34.924 31.823 -0.005 0.000 1.031 371 V HN -0.669 7.508 8.190 -0.008 0.008 0.426 372 S N 6.921 122.633 115.700 0.020 0.000 2.533 372 S HA 0.440 nan 4.470 nan 0.000 0.271 372 S C -2.683 171.933 174.600 0.026 0.000 1.143 372 S CA -0.805 57.389 58.200 -0.009 0.000 0.891 372 S CB 3.405 66.575 63.200 -0.049 0.000 1.105 372 S HN 0.462 8.804 8.310 0.053 0.000 0.468 373 R N 3.765 124.262 120.500 -0.006 0.000 2.216 373 R HA 0.448 nan 4.340 nan 0.000 0.332 373 R C -1.249 174.955 176.300 -0.159 0.000 1.056 373 R CA -1.069 54.973 56.100 -0.096 0.000 0.901 373 R CB 0.112 30.373 30.300 -0.066 0.000 1.039 373 R HN -0.125 8.129 8.270 -0.027 0.000 0.456 374 L N 6.918 127.999 121.223 -0.237 0.000 2.375 374 L HA 0.177 nan 4.340 nan 0.000 0.271 374 L C -0.413 176.361 176.870 -0.160 0.000 1.107 374 L CA -0.893 53.847 54.840 -0.166 0.000 0.806 374 L CB 1.572 43.534 42.059 -0.162 0.000 1.146 374 L HN -0.325 7.692 8.230 -0.354 0.000 0.447 375 T N -1.326 113.177 114.554 -0.085 0.000 2.847 375 T HA 0.075 nan 4.350 nan 0.000 0.279 375 T C 0.995 175.662 174.700 -0.054 0.000 0.984 375 T CA -1.669 60.387 62.100 -0.073 0.000 0.988 375 T CB 2.215 71.055 68.868 -0.046 0.000 1.040 375 T HN -0.269 7.941 8.240 -0.050 0.000 0.528 376 A N -0.052 122.738 122.820 -0.050 0.000 1.908 376 A HA -0.246 nan 4.320 nan 0.000 0.218 376 A C 2.116 179.706 177.584 0.010 0.000 1.181 376 A CA 3.396 55.413 52.037 -0.032 0.000 0.627 376 A CB -0.696 18.284 19.000 -0.034 0.000 0.818 376 A HN 0.592 8.710 8.150 -0.054 0.000 0.445 377 D N -2.536 117.872 120.400 0.015 0.000 2.149 377 D HA -0.187 nan 4.640 nan 0.000 0.201 377 D C 2.571 178.925 176.300 0.091 0.000 0.972 377 D CA 2.946 56.971 54.000 0.042 0.000 0.835 377 D CB -0.486 40.320 40.800 0.011 0.000 0.966 377 D HN 0.167 8.534 8.370 -0.005 0.000 0.476 378 Q N -0.485 119.366 119.800 0.085 0.000 2.224 378 Q HA -0.270 nan 4.340 nan 0.000 0.203 378 Q C 2.556 178.771 176.000 0.359 0.000 0.970 378 Q CA 3.265 59.186 55.803 0.197 0.000 0.865 378 Q CB 0.021 28.850 28.738 0.152 0.000 0.922 378 Q HN -0.452 7.841 8.270 0.038 0.000 0.445 379 T N 3.116 117.799 114.554 0.215 0.000 2.708 379 T HA -0.319 nan 4.350 nan 0.000 0.266 379 T C 2.206 177.147 174.700 0.401 0.000 1.037 379 T CA 5.046 67.297 62.100 0.252 0.000 1.146 379 T CB -0.776 68.110 68.868 0.031 0.000 0.865 379 T HN -0.021 8.170 8.240 0.111 0.116 0.435 380 Q N 1.050 121.005 119.800 0.258 0.000 2.119 380 Q HA -0.318 nan 4.340 nan 0.000 0.201 380 Q C 2.165 178.329 176.000 0.274 0.000 0.972 380 Q CA 3.149 59.099 55.803 0.245 0.000 0.847 380 Q CB -0.105 28.725 28.738 0.154 0.000 0.903 380 Q HN -0.538 7.841 8.270 0.182 0.000 0.433 381 Y N 1.492 121.863 120.300 0.119 0.000 2.133 381 Y HA -0.486 nan 4.550 nan 0.000 0.287 381 Y C 2.051 177.967 175.900 0.026 0.000 1.134 381 Y CA 3.811 61.883 58.100 -0.048 0.000 1.133 381 Y CB 0.148 38.437 38.460 -0.284 0.000 0.987 381 Y HN -0.222 8.161 8.280 0.333 0.096 0.502 382 H N -2.034 117.297 119.070 0.435 0.000 2.457 382 H HA -0.273 nan 4.556 nan 0.000 0.294 382 H C 2.417 177.859 175.328 0.191 0.000 1.064 382 H CA 4.304 60.622 56.048 0.449 0.000 1.330 382 H CB 0.146 30.306 29.762 0.664 0.000 1.395 382 H HN 0.058 8.707 8.280 0.615 0.000 0.541 383 F N 1.903 121.942 119.950 0.147 0.000 2.113 383 F HA -0.300 nan 4.527 nan 0.000 0.297 383 F C 1.048 176.637 175.800 -0.352 0.000 1.103 383 F CA 3.638 61.511 58.000 -0.211 0.000 1.248 383 F CB -0.038 38.942 39.000 -0.034 0.000 0.999 383 F HN -0.190 8.440 8.300 0.588 0.023 0.475 384 L N -2.927 118.155 121.223 -0.235 0.000 2.201 384 L HA -0.489 nan 4.340 nan 0.000 0.212 384 L C 1.748 178.375 176.870 -0.405 0.000 1.105 384 L CA 2.652 57.208 54.840 -0.475 0.000 0.775 384 L CB -0.458 41.252 42.059 -0.581 0.000 0.913 384 L HN -0.467 7.772 8.230 0.015 0.000 0.440 385 S N -1.856 113.691 115.700 -0.254 0.000 2.357 385 S HA -0.160 nan 4.470 nan 0.000 0.221 385 S C 1.052 175.622 174.600 -0.051 0.000 1.031 385 S CA 1.898 60.070 58.200 -0.047 0.000 0.982 385 S CB 0.477 63.735 63.200 0.097 0.000 0.853 385 S HN -0.507 7.545 8.310 -0.226 0.122 0.458 386 G N 1.091 109.616 108.800 -0.459 0.000 2.363 386 G HA2 -0.365 nan 3.960 nan 0.000 0.286 386 G HA3 -0.365 nan 3.960 nan 0.000 0.286 386 G C -1.442 173.372 174.900 -0.143 0.000 0.975 386 G CA 0.427 45.017 45.100 -0.848 0.000 1.309 386 G HN -0.253 7.707 8.290 -0.550 0.000 0.491 387 F N 2.447 122.392 119.950 -0.009 0.000 2.379 387 F HA 0.655 nan 4.527 nan 0.000 0.332 387 F C -1.901 173.967 175.800 0.112 0.000 1.096 387 F CA -0.793 57.166 58.000 -0.068 0.000 1.105 387 F CB 2.240 41.243 39.000 0.006 0.000 1.189 387 F HN -0.209 8.320 8.300 0.381 0.000 0.515 388 T N 5.952 119.748 114.554 -1.265 0.000 2.770 388 T HA 0.320 nan 4.350 nan 0.000 0.323 388 T C -3.138 170.997 174.700 -0.941 0.000 1.683 388 T CA 0.052 61.607 62.100 -0.908 0.000 1.024 388 T CB 3.666 72.382 68.868 -0.253 0.000 1.557 388 T HN -0.111 7.190 8.240 -1.567 0.000 0.494 389 A N 2.096 124.660 122.820 -0.428 0.000 2.488 389 A HA 0.691 nan 4.320 nan 0.000 0.295 389 A C -1.860 175.667 177.584 -0.094 0.000 1.045 389 A CA -0.378 51.549 52.037 -0.184 0.000 0.703 389 A CB 2.418 21.449 19.000 0.052 0.000 1.271 389 A HN 0.406 8.410 8.150 -0.244 0.000 0.400 390 K N 0.560 120.883 120.400 -0.129 0.000 1.800 390 K HA -0.351 nan 4.320 nan 0.000 0.567 390 K C -1.819 174.787 176.600 0.010 0.000 1.766 390 K CA 0.994 57.194 56.287 -0.144 0.000 0.996 390 K CB 0.005 32.285 32.500 -0.366 0.000 1.627 390 K HN 0.074 8.251 8.250 -0.123 0.000 0.691 391 L N -2.143 119.105 121.223 0.042 0.000 2.485 391 L HA 0.266 nan 4.340 nan 0.000 0.245 391 L C -1.118 175.950 176.870 0.331 0.000 1.137 391 L CA -0.304 54.676 54.840 0.232 0.000 0.954 391 L CB 1.724 43.847 42.059 0.107 0.000 1.560 391 L HN -0.270 7.913 8.230 -0.079 0.000 0.403 402 T N -0.730 113.686 114.554 -0.230 0.000 2.788 402 T HA 0.331 nan 4.350 nan 0.000 0.296 402 T C -2.170 172.553 174.700 0.039 0.000 1.009 402 T CA -3.074 58.999 62.100 -0.045 0.000 0.949 402 T CB 0.670 69.511 68.868 -0.045 0.000 0.946 402 T HN -0.155 7.928 8.240 -0.261 0.000 0.453 403 P HA 0.451 nan 4.420 nan 0.000 0.274 403 P C -0.891 176.387 177.300 -0.037 0.000 1.237 403 P CA -0.571 62.648 63.100 0.198 0.000 0.793 403 P CB 0.777 32.694 31.700 0.361 0.000 0.977 404 T N 2.015 116.396 114.554 -0.288 0.000 3.109 404 T HA 0.343 nan 4.350 nan 0.000 0.311 404 T C -1.697 172.762 174.700 -0.403 0.000 1.011 404 T CA 0.344 62.306 62.100 -0.231 0.000 1.026 404 T CB 2.637 71.406 68.868 -0.165 0.000 1.047 404 T HN 0.143 8.089 8.240 -0.490 0.000 0.448 405 F N 5.424 125.385 119.950 0.020 0.000 2.382 405 F HA 0.424 nan 4.527 nan 0.000 0.361 405 F C -0.988 174.786 175.800 -0.044 0.000 1.109 405 F CA -1.193 56.799 58.000 -0.013 0.000 1.031 405 F CB 1.566 40.548 39.000 -0.031 0.000 1.234 405 F HN 0.163 8.546 8.300 0.139 0.000 0.445 406 S N 4.765 120.489 115.700 0.040 0.000 2.733 406 S HA 0.224 nan 4.470 nan 0.000 0.307 406 S C -1.323 173.188 174.600 -0.149 0.000 1.127 406 S CA -2.195 55.992 58.200 -0.021 0.000 1.097 406 S CB 1.299 64.490 63.200 -0.015 0.000 1.003 406 S HN 0.685 8.878 8.310 -0.014 0.109 0.477 407 A N 6.822 129.561 122.820 -0.133 0.000 2.584 407 A HA -0.223 nan 4.320 nan 0.000 0.239 407 A C 0.784 178.080 177.584 -0.479 0.000 1.043 407 A CA 1.075 52.930 52.037 -0.304 0.000 0.756 407 A CB -0.090 18.792 19.000 -0.197 0.000 0.963 407 A HN 0.432 8.568 8.150 -0.023 0.000 0.511 408 C N 1.057 119.826 119.300 -0.885 0.000 4.326 408 C HA -0.402 nan 4.460 nan 0.000 0.284 408 C C -0.569 174.168 174.990 -0.422 0.000 1.419 408 C CA 0.546 58.832 59.018 -1.220 0.000 1.920 408 C CB -3.135 24.128 27.740 -0.794 0.000 1.306 408 C HN 0.530 8.172 8.230 -0.979 0.000 0.786 409 F N -5.269 114.520 119.950 -0.270 0.000 3.074 409 F HA -0.444 nan 4.527 nan 0.000 0.289 409 F C -0.813 175.137 175.800 0.250 0.000 0.863 409 F CA 1.191 59.193 58.000 0.003 0.000 1.121 409 F CB -2.550 36.480 39.000 0.050 0.000 1.169 409 F HN -0.108 7.673 8.300 -0.773 0.056 0.570 410 G N -4.962 103.981 108.800 0.238 0.000 4.340 410 G HA2 -0.079 nan 3.960 nan 0.000 0.232 410 G HA3 -0.079 nan 3.960 nan 0.000 0.232 410 G C -0.995 173.881 174.900 -0.040 0.000 3.572 410 G CA 0.495 45.767 45.100 0.285 0.000 0.648 410 G HN -0.517 7.755 8.290 0.008 0.023 0.221 411 A N 1.666 124.423 122.820 -0.105 0.000 1.978 411 A HA -0.208 nan 4.320 nan 0.000 0.220 411 A C 1.219 178.706 177.584 -0.162 0.000 1.170 411 A CA 3.074 55.068 52.037 -0.071 0.000 0.636 411 A CB -0.366 18.644 19.000 0.017 0.000 0.810 411 A HN 0.372 8.481 8.150 -0.070 0.000 0.448 412 A N -2.454 120.099 122.820 -0.444 0.000 2.125 412 A HA -0.181 nan 4.320 nan 0.000 0.219 412 A C 0.773 177.996 177.584 -0.601 0.000 1.156 412 A CA 2.444 54.122 52.037 -0.598 0.000 0.671 412 A CB -0.399 18.120 19.000 -0.802 0.000 0.794 412 A HN 0.336 8.179 8.150 -0.474 0.023 0.459 413 F N -7.847 112.088 119.950 -0.026 0.000 2.682 413 F HA 0.186 nan 4.527 nan 0.000 0.308 413 F C -0.945 174.730 175.800 -0.210 0.000 1.093 413 F CA -2.107 55.824 58.000 -0.114 0.000 1.244 413 F CB 0.271 39.190 39.000 -0.136 0.000 1.052 413 F HN -0.684 7.214 8.300 -0.579 0.055 0.573 414 L N 0.355 121.552 121.223 -0.044 0.000 2.367 414 L HA -0.087 nan 4.340 nan 0.000 0.275 414 L C 0.247 177.185 176.870 0.113 0.000 1.129 414 L CA 0.256 55.080 54.840 -0.026 0.000 0.839 414 L CB -0.402 41.654 42.059 -0.005 0.000 1.133 414 L HN -0.734 7.350 8.230 -0.050 0.116 0.453 415 S N 2.651 118.378 115.700 0.044 0.000 2.502 415 S HA 0.166 nan 4.470 nan 0.000 0.215 415 S C -0.731 173.637 174.600 -0.387 0.000 1.009 415 S CA 1.293 59.256 58.200 -0.395 0.000 0.908 415 S CB 1.823 64.715 63.200 -0.514 0.000 0.801 415 S HN 0.301 8.720 8.310 0.181 0.000 0.505 416 L N -1.269 119.969 121.223 0.024 0.000 2.260 416 L HA 0.474 nan 4.340 nan 0.000 0.265 416 L C -0.825 175.982 176.870 -0.105 0.000 1.015 416 L CA -1.786 53.012 54.840 -0.069 0.000 0.826 416 L CB 2.441 44.314 42.059 -0.309 0.000 1.373 416 L HN -0.733 7.676 8.230 0.299 0.000 0.450 417 H N 2.007 120.842 119.070 -0.391 0.000 2.815 417 H HA 0.079 nan 4.556 nan 0.000 0.350 417 H C -0.329 174.698 175.328 -0.503 0.000 1.080 417 H CA 0.236 55.807 56.048 -0.794 0.000 1.433 417 H CB 1.035 30.508 29.762 -0.481 0.000 1.432 417 H HN -0.380 8.058 8.280 -0.105 -0.220 0.592 418 P HA -0.329 nan 4.420 nan 0.000 0.217 418 P C 0.550 177.782 177.300 -0.113 0.000 1.151 418 P CA 2.903 65.722 63.100 -0.469 0.000 0.849 418 P CB 0.176 31.484 31.700 -0.654 0.000 0.787 419 T N -5.939 108.600 114.554 -0.026 0.000 2.833 419 T HA -0.301 nan 4.350 nan 0.000 0.269 419 T C 2.158 176.878 174.700 0.033 0.000 1.054 419 T CA 3.839 65.985 62.100 0.076 0.000 1.135 419 T CB -0.892 68.066 68.868 0.150 0.000 0.869 419 T HN -0.349 7.892 8.240 0.026 0.015 0.466 420 Q N 0.899 120.673 119.800 -0.044 0.000 2.167 420 Q HA -0.320 nan 4.340 nan 0.000 0.202 420 Q C 2.458 178.340 176.000 -0.197 0.000 0.970 420 Q CA 2.996 58.693 55.803 -0.178 0.000 0.855 420 Q CB -0.212 28.329 28.738 -0.328 0.000 0.911 420 Q HN -0.230 7.900 8.270 -0.029 0.123 0.438 421 Y N -0.747 119.563 120.300 0.015 0.000 2.286 421 Y HA -0.321 nan 4.550 nan 0.000 0.293 421 Y C 1.538 177.549 175.900 0.185 0.000 1.124 421 Y CA 2.916 61.088 58.100 0.120 0.000 1.178 421 Y CB -0.362 38.198 38.460 0.166 0.000 1.010 421 Y HN -0.620 7.567 8.280 0.046 0.121 0.536 422 A N -0.991 122.038 122.820 0.349 0.000 1.902 422 A HA -0.351 nan 4.320 nan 0.000 0.217 422 A C 2.113 179.724 177.584 0.045 0.000 1.181 422 A CA 3.178 55.353 52.037 0.230 0.000 0.623 422 A CB -1.011 18.129 19.000 0.233 0.000 0.818 422 A HN -0.242 8.012 8.150 0.301 0.077 0.443 423 E N -2.026 118.191 120.200 0.028 0.000 2.023 423 E HA -0.368 nan 4.350 nan 0.000 0.196 423 E C 2.608 179.179 176.600 -0.049 0.000 1.003 423 E CA 3.162 59.549 56.400 -0.021 0.000 0.809 423 E CB -0.372 29.307 29.700 -0.036 0.000 0.755 423 E HN -0.242 8.144 8.360 0.044 0.000 0.449 424 V N 0.309 120.199 119.914 -0.040 0.000 2.407 424 V HA -0.285 nan 4.120 nan 0.000 0.248 424 V C 2.202 178.237 176.094 -0.099 0.000 1.055 424 V CA 3.844 66.110 62.300 -0.057 0.000 1.049 424 V CB -1.010 30.803 31.823 -0.016 0.000 0.662 424 V HN -0.695 7.481 8.190 -0.024 0.000 0.455 425 L N -0.249 120.933 121.223 -0.070 0.000 2.017 425 L HA -0.405 nan 4.340 nan 0.000 0.208 425 L C 1.740 178.483 176.870 -0.211 0.000 1.073 425 L CA 3.520 58.278 54.840 -0.137 0.000 0.745 425 L CB -0.264 41.639 42.059 -0.260 0.000 0.894 425 L HN -0.459 7.748 8.230 -0.015 0.015 0.432 426 V N -0.973 118.842 119.914 -0.166 0.000 2.407 426 V HA -0.529 nan 4.120 nan 0.000 0.248 426 V C 1.996 177.993 176.094 -0.160 0.000 1.055 426 V CA 4.550 66.767 62.300 -0.139 0.000 1.049 426 V CB -1.028 30.744 31.823 -0.085 0.000 0.662 426 V HN 0.026 8.135 8.190 -0.136 0.000 0.455 427 K N -0.516 119.784 120.400 -0.166 0.000 2.032 427 K HA -0.344 nan 4.320 nan 0.000 0.209 427 K C 2.097 178.539 176.600 -0.264 0.000 1.048 427 K CA 3.014 59.197 56.287 -0.173 0.000 0.927 427 K CB -0.402 32.010 32.500 -0.146 0.000 0.712 427 K HN -0.332 7.818 8.250 -0.146 0.012 0.441 428 R N -2.018 118.220 120.500 -0.436 0.000 2.075 428 R HA -0.233 nan 4.340 nan 0.000 0.232 428 R C 2.850 178.765 176.300 -0.642 0.000 1.126 428 R CA 2.162 57.796 56.100 -0.777 0.000 0.963 428 R CB -0.520 28.812 30.300 -1.613 0.000 0.858 428 R HN -0.397 7.629 8.270 -0.406 0.000 0.435 429 M N -0.126 119.203 119.600 -0.452 0.000 2.117 429 M HA -0.393 nan 4.480 nan 0.000 0.262 429 M C 2.424 178.672 176.300 -0.086 0.000 1.065 429 M CA 4.123 59.338 55.300 -0.142 0.000 1.114 429 M CB -0.216 32.344 32.600 -0.067 0.000 1.361 429 M HN 0.035 8.063 8.290 -0.436 0.000 0.408 430 Q N -1.477 118.252 119.800 -0.118 0.000 2.124 430 Q HA -0.275 nan 4.340 nan 0.000 0.202 430 Q C 2.519 178.469 176.000 -0.083 0.000 0.977 430 Q CA 2.738 58.490 55.803 -0.085 0.000 0.850 430 Q CB -0.192 28.496 28.738 -0.084 0.000 0.901 430 Q HN -0.091 8.088 8.270 -0.152 0.000 0.429 431 A N -1.185 121.563 122.820 -0.120 0.000 1.972 431 A HA -0.126 nan 4.320 nan 0.000 0.219 431 A C 0.718 178.237 177.584 -0.110 0.000 1.169 431 A CA 2.275 54.238 52.037 -0.123 0.000 0.635 431 A CB -0.305 18.595 19.000 -0.167 0.000 0.810 431 A HN -0.435 7.621 8.150 -0.158 0.000 0.446 432 A N -3.949 118.832 122.820 -0.064 0.000 2.267 432 A HA 0.097 nan 4.320 nan 0.000 0.213 432 A C 0.285 177.893 177.584 0.039 0.000 1.192 432 A CA -0.309 51.737 52.037 0.016 0.000 0.851 432 A CB 0.548 19.678 19.000 0.216 0.000 0.881 432 A HN -0.442 7.556 8.150 -0.065 0.113 0.494 433 G N -1.194 107.613 108.800 0.011 0.000 2.272 433 G HA2 -0.393 nan 3.960 nan 0.000 0.280 433 G HA3 -0.393 nan 3.960 nan 0.000 0.280 433 G C -0.847 174.069 174.900 0.028 0.000 1.067 433 G CA -0.020 45.084 45.100 0.007 0.000 0.902 433 G HN -0.497 7.611 8.290 -0.014 0.173 0.500 434 A N -0.825 122.028 122.820 0.055 0.000 2.386 434 A HA 0.179 nan 4.320 nan 0.000 0.248 434 A C -0.722 176.856 177.584 -0.011 0.000 1.082 434 A CA -0.288 51.792 52.037 0.072 0.000 0.789 434 A CB 1.108 20.213 19.000 0.174 0.000 1.025 434 A HN -0.232 7.953 8.150 0.058 0.000 0.490 435 Q N -0.121 119.658 119.800 -0.036 0.000 2.342 435 Q HA 0.452 nan 4.340 nan 0.000 0.267 435 Q C -1.621 174.176 176.000 -0.339 0.000 1.038 435 Q CA -1.551 54.132 55.803 -0.200 0.000 0.832 435 Q CB 3.710 32.334 28.738 -0.190 0.000 1.323 435 Q HN 0.016 8.303 8.270 0.028 0.000 0.448 436 A N 1.319 123.807 122.820 -0.553 0.000 2.320 436 A HA 0.925 nan 4.320 nan 0.000 0.334 436 A C -1.972 175.095 177.584 -0.862 0.000 1.147 436 A CA -1.590 50.093 52.037 -0.589 0.000 0.820 436 A CB 2.368 21.043 19.000 -0.541 0.000 1.218 436 A HN 0.573 8.419 8.150 -0.506 0.000 0.482 437 Y N -2.623 117.496 120.300 -0.302 0.000 2.534 437 Y HA 0.570 nan 4.550 nan 0.000 0.345 437 Y C -2.100 173.701 175.900 -0.164 0.000 1.031 437 Y CA -1.564 56.422 58.100 -0.191 0.000 1.022 437 Y CB 4.568 42.949 38.460 -0.132 0.000 1.292 437 Y HN 0.322 8.440 8.280 -0.269 0.000 0.459 438 L N 1.416 122.675 121.223 0.061 0.000 2.313 438 L HA 0.794 nan 4.340 nan 0.000 0.283 438 L C -2.078 174.853 176.870 0.102 0.000 1.013 438 L CA -1.032 53.863 54.840 0.092 0.000 0.816 438 L CB 2.225 44.290 42.059 0.009 0.000 1.236 438 L HN 0.585 8.850 8.230 0.058 0.000 0.419 439 V N 5.489 125.481 119.914 0.130 0.000 2.487 439 V HA 0.303 nan 4.120 nan 0.000 0.298 439 V C -2.023 174.136 176.094 0.107 0.000 1.028 439 V CA -1.757 60.601 62.300 0.096 0.000 0.860 439 V CB 2.475 34.347 31.823 0.083 0.000 0.991 439 V HN 0.890 9.183 8.190 0.172 0.000 0.427 440 N N 7.834 126.587 118.700 0.089 0.000 2.500 440 N HA 0.256 nan 4.740 nan 0.000 0.236 440 N C 0.397 175.929 175.510 0.037 0.000 1.022 440 N CA -0.261 52.851 53.050 0.104 0.000 0.935 440 N CB 0.596 39.162 38.487 0.132 0.000 1.147 440 N HN -0.032 8.271 8.380 0.069 0.119 0.512 441 T N 1.700 116.258 114.554 0.006 0.000 3.144 441 T HA 0.322 nan 4.350 nan 0.000 0.249 441 T C 0.255 174.833 174.700 -0.203 0.000 1.089 441 T CA -0.743 61.307 62.100 -0.082 0.000 0.989 441 T CB -0.141 68.680 68.868 -0.078 0.000 0.992 441 T HN 0.459 8.723 8.240 0.040 0.000 0.540 442 G N 1.413 110.130 108.800 -0.139 0.000 3.086 442 G HA2 0.391 nan 3.960 nan 0.000 0.159 442 G HA3 0.391 nan 3.960 nan 0.000 0.159 442 G C -1.574 173.086 174.900 -0.402 0.000 1.654 442 G CA -0.917 43.995 45.100 -0.312 0.000 1.078 442 G HN -0.133 8.338 8.290 0.000 -0.181 0.558 443 W N -1.235 120.111 121.300 0.077 0.000 2.594 443 W HA 0.392 nan 4.660 nan 0.000 0.365 443 W C -1.188 175.390 176.519 0.098 0.000 1.196 443 W CA -0.765 56.620 57.345 0.067 0.000 1.258 443 W CB 2.553 32.044 29.460 0.053 0.000 1.405 443 W HN -0.216 8.305 8.180 0.750 0.109 0.640 444 N N -3.944 114.932 118.700 0.294 0.000 3.479 444 N HA 0.232 nan 4.740 nan 0.000 0.336 444 N C 0.965 176.471 175.510 -0.007 0.000 1.623 444 N CA -0.863 52.298 53.050 0.185 0.000 0.759 444 N CB 1.194 39.744 38.487 0.105 0.000 2.016 444 N HN -0.326 8.234 8.380 0.299 0.000 0.637 445 G N -1.707 106.865 108.800 -0.380 0.000 2.498 445 G HA2 -0.216 nan 3.960 nan 0.000 0.219 445 G HA3 -0.216 nan 3.960 nan 0.000 0.219 445 G C 0.317 174.942 174.900 -0.459 0.000 1.119 445 G CA 1.663 46.089 45.100 -1.124 0.000 0.766 445 G HN 0.134 8.295 8.290 -0.215 0.000 0.552 446 T N 0.344 114.786 114.554 -0.186 0.000 3.085 446 T HA 0.001 nan 4.350 nan 0.000 0.263 446 T C 1.168 175.868 174.700 -0.000 0.000 1.127 446 T CA 0.937 62.993 62.100 -0.072 0.000 1.103 446 T CB -0.071 68.779 68.868 -0.030 0.000 0.921 446 T HN -0.447 7.963 8.240 -0.137 -0.253 0.510 447 G N 1.549 110.379 108.800 0.050 0.000 2.179 447 G HA2 -0.396 nan 3.960 nan 0.000 0.260 447 G HA3 -0.396 nan 3.960 nan 0.000 0.260 447 G C -0.978 174.067 174.900 0.242 0.000 0.977 447 G CA 0.494 45.660 45.100 0.109 0.000 0.641 447 G HN -0.288 7.979 8.290 0.038 0.045 0.533 448 K N -0.611 119.939 120.400 0.250 0.000 2.328 448 K HA 0.275 nan 4.320 nan 0.000 0.246 448 K C -1.528 175.121 176.600 0.082 0.000 0.955 448 K CA -1.872 54.548 56.287 0.222 0.000 0.817 448 K CB 2.322 34.869 32.500 0.078 0.000 1.208 448 K HN -0.482 7.798 8.250 0.165 0.069 0.432 449 R N 1.817 122.193 120.500 -0.205 0.000 2.543 449 R HA 0.103 nan 4.340 nan 0.000 0.277 449 R C 0.178 176.285 176.300 -0.323 0.000 1.074 449 R CA -0.016 55.685 56.100 -0.665 0.000 1.076 449 R CB 0.635 30.440 30.300 -0.825 0.000 0.993 449 R HN 0.254 8.501 8.270 -0.040 0.000 0.459 450 I N 6.724 127.114 120.570 -0.300 0.000 2.815 450 I HA -0.128 nan 4.170 nan 0.000 0.291 450 I C -0.619 175.403 176.117 -0.158 0.000 1.209 450 I CA 0.692 61.891 61.300 -0.168 0.000 1.431 450 I CB 0.929 38.852 38.000 -0.127 0.000 1.351 450 I HN 0.297 8.276 8.210 -0.385 0.000 0.585 451 S N 8.458 124.093 115.700 -0.108 0.000 2.568 451 S HA -0.085 nan 4.470 nan 0.000 0.282 451 S C 1.162 175.705 174.600 -0.096 0.000 1.338 451 S CA 0.307 58.449 58.200 -0.095 0.000 1.045 451 S CB 1.385 64.543 63.200 -0.070 0.000 0.873 451 S HN 0.230 8.487 8.310 -0.088 0.000 0.516 452 I N 3.204 123.717 120.570 -0.095 0.000 2.493 452 I HA -0.326 nan 4.170 nan 0.000 0.254 452 I C 0.868 176.939 176.117 -0.077 0.000 1.160 452 I CA 2.809 64.053 61.300 -0.092 0.000 1.445 452 I CB -0.513 37.431 38.000 -0.093 0.000 1.086 452 I HN 0.377 8.531 8.210 -0.094 0.000 0.433 453 K N -0.589 119.770 120.400 -0.069 0.000 2.025 453 K HA -0.254 nan 4.320 nan 0.000 0.207 453 K C 2.069 178.637 176.600 -0.054 0.000 1.049 453 K CA 2.823 59.074 56.287 -0.059 0.000 0.933 453 K CB -1.397 31.071 32.500 -0.053 0.000 0.714 453 K HN 0.174 8.351 8.250 -0.070 0.030 0.438 454 D N -1.459 118.909 120.400 -0.054 0.000 2.144 454 D HA -0.182 nan 4.640 nan 0.000 0.200 454 D C 2.398 178.670 176.300 -0.047 0.000 0.978 454 D CA 4.215 58.187 54.000 -0.047 0.000 0.833 454 D CB 0.377 41.150 40.800 -0.045 0.000 0.961 454 D HN -0.198 8.137 8.370 -0.058 0.000 0.470 455 T N 2.493 117.013 114.554 -0.057 0.000 2.746 455 T HA -0.231 nan 4.350 nan 0.000 0.267 455 T C 2.065 176.737 174.700 -0.047 0.000 1.039 455 T CA 4.655 66.724 62.100 -0.053 0.000 1.142 455 T CB -0.472 68.355 68.868 -0.068 0.000 0.866 455 T HN -0.277 7.923 8.240 -0.066 0.000 0.444 456 R N 0.711 121.179 120.500 -0.054 0.000 2.120 456 R HA -0.286 nan 4.340 nan 0.000 0.234 456 R C 1.934 178.209 176.300 -0.041 0.000 1.123 456 R CA 3.371 59.440 56.100 -0.051 0.000 0.975 456 R CB -0.304 29.960 30.300 -0.059 0.000 0.866 456 R HN -0.046 8.187 8.270 -0.061 0.000 0.446 457 A N 0.056 122.851 122.820 -0.042 0.000 1.930 457 A HA -0.185 nan 4.320 nan 0.000 0.217 457 A C 2.080 179.640 177.584 -0.040 0.000 1.175 457 A CA 2.930 54.944 52.037 -0.038 0.000 0.627 457 A CB -0.875 18.104 19.000 -0.036 0.000 0.815 457 A HN -0.404 7.618 8.150 -0.044 0.101 0.443 458 I N -0.746 119.800 120.570 -0.040 0.000 2.252 458 I HA -0.513 nan 4.170 nan 0.000 0.245 458 I C 1.890 177.972 176.117 -0.058 0.000 1.102 458 I CA 4.037 65.310 61.300 -0.045 0.000 1.385 458 I CB -0.045 37.934 38.000 -0.035 0.000 1.064 458 I HN -0.464 7.637 8.210 -0.038 0.087 0.414 459 I N -0.509 120.040 120.570 -0.036 0.000 2.264 459 I HA -0.544 nan 4.170 nan 0.000 0.248 459 I C 2.056 178.145 176.117 -0.047 0.000 1.111 459 I CA 2.816 64.106 61.300 -0.018 0.000 1.382 459 I CB -1.674 36.357 38.000 0.052 0.000 1.060 459 I HN -0.154 8.040 8.210 -0.027 0.000 0.418 460 D N -0.092 120.282 120.400 -0.042 0.000 2.117 460 D HA -0.262 nan 4.640 nan 0.000 0.197 460 D C 2.285 178.545 176.300 -0.067 0.000 0.987 460 D CA 3.564 57.537 54.000 -0.046 0.000 0.829 460 D CB -0.678 40.099 40.800 -0.038 0.000 0.961 460 D HN -0.272 7.986 8.370 -0.037 0.089 0.460 461 A N -0.579 122.197 122.820 -0.074 0.000 1.972 461 A HA -0.199 nan 4.320 nan 0.000 0.219 461 A C 2.361 179.867 177.584 -0.129 0.000 1.169 461 A CA 2.935 54.923 52.037 -0.081 0.000 0.635 461 A CB -0.636 18.323 19.000 -0.067 0.000 0.810 461 A HN -0.435 7.593 8.150 -0.066 0.082 0.446 462 I N -1.268 119.183 120.570 -0.198 0.000 2.193 462 I HA -0.479 nan 4.170 nan 0.000 0.240 462 I C 2.401 178.344 176.117 -0.290 0.000 1.084 462 I CA 3.942 65.017 61.300 -0.375 0.000 1.365 462 I CB 0.031 37.710 38.000 -0.534 0.000 1.064 462 I HN -0.586 7.406 8.210 -0.167 0.118 0.410 463 L N -1.374 119.734 121.223 -0.192 0.000 2.056 463 L HA -0.363 nan 4.340 nan 0.000 0.207 463 L C 1.475 178.296 176.870 -0.082 0.000 1.078 463 L CA 2.606 57.370 54.840 -0.126 0.000 0.749 463 L CB -0.285 41.727 42.059 -0.079 0.000 0.901 463 L HN -0.108 8.023 8.230 -0.166 0.000 0.433 464 N N -3.813 114.844 118.700 -0.071 0.000 2.461 464 N HA -0.083 nan 4.740 nan 0.000 0.188 464 N C 0.597 176.083 175.510 -0.040 0.000 1.134 464 N CA -0.044 52.978 53.050 -0.047 0.000 0.878 464 N CB 0.205 38.669 38.487 -0.038 0.000 0.972 464 N HN -0.218 8.115 8.380 -0.079 0.000 0.456 465 G N -2.346 106.422 108.800 -0.053 0.000 2.176 465 G HA2 -0.425 nan 3.960 nan 0.000 0.253 465 G HA3 -0.425 nan 3.960 nan 0.000 0.253 465 G C 0.746 175.632 174.900 -0.023 0.000 0.979 465 G CA 0.533 45.615 45.100 -0.029 0.000 0.641 465 G HN -0.520 7.551 8.290 -0.081 0.171 0.530 466 S N 2.185 117.864 115.700 -0.035 0.000 2.368 466 S HA -0.254 nan 4.470 nan 0.000 0.225 466 S C 1.973 176.563 174.600 -0.017 0.000 1.030 466 S CA 4.463 62.648 58.200 -0.025 0.000 0.999 466 S CB -0.058 63.123 63.200 -0.031 0.000 0.844 466 S HN -0.032 8.506 8.310 -0.048 -0.257 0.459 467 L N 0.772 121.978 121.223 -0.030 0.000 2.141 467 L HA -0.212 nan 4.340 nan 0.000 0.209 467 L C 1.334 178.229 176.870 0.041 0.000 1.094 467 L CA 2.826 57.663 54.840 -0.004 0.000 0.763 467 L CB -0.065 41.973 42.059 -0.035 0.000 0.908 467 L HN -0.529 7.665 8.230 -0.059 0.000 0.437 468 D N -1.297 119.132 120.400 0.050 0.000 2.347 468 D HA -0.124 nan 4.640 nan 0.000 0.215 468 D C 0.237 176.556 176.300 0.032 0.000 0.976 468 D CA 2.391 56.430 54.000 0.064 0.000 0.884 468 D CB -0.463 40.380 40.800 0.073 0.000 0.915 468 D HN 0.476 8.741 8.370 0.024 0.120 0.526 469 N N -2.458 116.254 118.700 0.019 0.000 2.184 469 N HA 0.048 nan 4.740 nan 0.000 0.206 469 N C -1.310 174.207 175.510 0.013 0.000 1.151 469 N CA -0.236 52.822 53.050 0.013 0.000 0.878 469 N CB 1.239 39.731 38.487 0.007 0.000 1.014 469 N HN -0.640 7.580 8.380 0.015 0.169 0.512 470 A N 0.364 123.193 122.820 0.015 0.000 2.322 470 A HA 0.119 nan 4.320 nan 0.000 0.269 470 A C -0.400 177.198 177.584 0.024 0.000 1.094 470 A CA -0.404 51.643 52.037 0.017 0.000 0.807 470 A CB 1.066 20.074 19.000 0.013 0.000 1.047 470 A HN -0.823 7.160 8.150 0.017 0.177 0.487 471 E N 0.776 120.997 120.200 0.036 0.000 2.259 471 E HA 0.096 nan 4.350 nan 0.000 0.281 471 E C -0.603 176.043 176.600 0.077 0.000 1.037 471 E CA -0.359 56.072 56.400 0.053 0.000 0.854 471 E CB 0.497 30.233 29.700 0.059 0.000 1.051 471 E HN 0.340 8.722 8.360 0.035 0.000 0.409 472 T N -1.863 112.734 114.554 0.072 0.000 2.926 472 T HA 0.807 nan 4.350 nan 0.000 0.289 472 T C -1.414 173.380 174.700 0.156 0.000 1.054 472 T CA -2.183 59.947 62.100 0.050 0.000 1.015 472 T CB 2.266 71.105 68.868 -0.047 0.000 1.167 472 T HN 0.017 8.293 8.240 0.060 0.000 0.526 473 F N -4.590 115.355 119.950 -0.009 0.000 2.664 473 F HA 0.470 nan 4.527 nan 0.000 0.317 473 F C -2.160 173.636 175.800 -0.008 0.000 1.108 473 F CA -2.044 55.949 58.000 -0.011 0.000 0.957 473 F CB 1.025 40.015 39.000 -0.018 0.000 1.365 473 F HN 0.375 8.439 8.300 -0.392 0.000 0.475 474 T N 1.555 116.211 114.554 0.170 0.000 2.767 474 T HA 0.334 nan 4.350 nan 0.000 0.288 474 T C -1.491 173.277 174.700 0.113 0.000 0.963 474 T CA -0.073 62.060 62.100 0.056 0.000 1.019 474 T CB 0.112 69.020 68.868 0.067 0.000 0.923 474 T HN -0.012 8.406 8.240 0.296 0.000 0.468 475 L N 7.104 128.339 121.223 0.020 0.000 2.319 475 L HA 0.452 nan 4.340 nan 0.000 0.280 475 L C -1.985 174.991 176.870 0.178 0.000 1.099 475 L CA -3.398 51.493 54.840 0.085 0.000 0.828 475 L CB 1.893 43.979 42.059 0.046 0.000 1.150 475 L HN 0.378 8.580 8.230 -0.047 0.000 0.442 476 P HA -0.025 nan 4.420 nan 0.000 0.270 476 P C 0.501 177.982 177.300 0.302 0.000 1.223 476 P CA 0.347 63.585 63.100 0.230 0.000 0.785 476 P CB 0.547 32.388 31.700 0.234 0.000 0.923 477 M N -2.059 117.618 119.600 0.127 0.000 2.832 477 M HA -0.517 nan 4.480 nan 0.000 0.151 477 M C 0.923 177.119 176.300 -0.173 0.000 0.691 477 M CA 3.385 58.666 55.300 -0.031 0.000 0.581 477 M CB -0.972 31.620 32.600 -0.013 0.000 2.120 477 M HN 0.487 8.825 8.290 0.080 0.000 0.260 478 F N -2.103 117.843 119.950 -0.006 0.000 2.664 478 F HA -0.121 nan 4.527 nan 0.000 0.296 478 F C 0.019 175.784 175.800 -0.059 0.000 1.125 478 F CA 1.776 59.734 58.000 -0.069 0.000 1.444 478 F CB 0.242 39.218 39.000 -0.040 0.000 1.114 478 F HN -0.208 8.305 8.300 0.463 0.064 0.576 479 N N -3.829 114.944 118.700 0.121 0.000 2.727 479 N HA -0.396 nan 4.740 nan 0.000 0.249 479 N C -1.062 174.470 175.510 0.038 0.000 1.048 479 N CA 1.281 54.361 53.050 0.050 0.000 0.714 479 N CB -1.626 36.853 38.487 -0.014 0.000 0.959 479 N HN -0.241 8.195 8.380 0.162 0.041 0.544 480 L N -2.089 119.168 121.223 0.056 0.000 2.289 480 L HA 0.173 nan 4.340 nan 0.000 0.285 480 L C -1.065 175.758 176.870 -0.079 0.000 1.049 480 L CA -1.005 53.832 54.840 -0.004 0.000 0.804 480 L CB 1.098 43.159 42.059 0.003 0.000 1.195 480 L HN -0.899 7.396 8.230 0.108 0.000 0.428 481 A N 4.686 127.449 122.820 -0.095 0.000 2.396 481 A HA 0.517 nan 4.320 nan 0.000 0.279 481 A C -1.555 175.906 177.584 -0.203 0.000 1.165 481 A CA -0.504 51.446 52.037 -0.144 0.000 0.824 481 A CB -0.311 18.635 19.000 -0.090 0.000 1.100 481 A HN 0.662 8.769 8.150 -0.072 0.000 0.516 482 I N -2.137 118.196 120.570 -0.394 0.000 2.569 482 I HA 0.751 nan 4.170 nan 0.000 0.296 482 I C -2.438 173.423 176.117 -0.426 0.000 1.028 482 I CA -4.270 56.784 61.300 -0.410 0.000 1.082 482 I CB 2.608 40.316 38.000 -0.485 0.000 1.264 482 I HN 0.643 8.520 8.210 -0.555 0.000 0.429 483 P HA 0.117 nan 4.420 nan 0.000 0.271 483 P C -0.550 176.787 177.300 0.062 0.000 1.218 483 P CA -0.121 62.950 63.100 -0.047 0.000 0.780 483 P CB 0.865 32.554 31.700 -0.019 0.000 0.901 484 T N -4.079 110.576 114.554 0.167 0.000 2.904 484 T HA -0.183 nan 4.350 nan 0.000 0.267 484 T C -0.153 174.617 174.700 0.118 0.000 1.059 484 T CA 1.364 63.605 62.100 0.234 0.000 1.137 484 T CB 0.353 69.323 68.868 0.170 0.000 0.879 484 T HN 0.578 8.896 8.240 0.131 0.000 0.467 485 E N -1.375 118.866 120.200 0.069 0.000 2.407 485 E HA 0.216 nan 4.350 nan 0.000 0.279 485 E C -2.289 174.322 176.600 0.019 0.000 1.012 485 E CA -1.183 55.240 56.400 0.037 0.000 0.800 485 E CB 2.638 32.355 29.700 0.027 0.000 1.276 485 E HN -0.423 7.955 8.360 0.064 0.021 0.452 486 L N -0.158 121.069 121.223 0.007 0.000 2.493 486 L HA 0.491 nan 4.340 nan 0.000 0.265 486 L C -2.365 174.499 176.870 -0.009 0.000 0.954 486 L CA -2.692 52.145 54.840 -0.005 0.000 0.844 486 L CB 3.537 45.589 42.059 -0.012 0.000 1.302 486 L HN 0.475 8.709 8.230 0.008 0.000 0.405 487 P HA -0.055 nan 4.420 nan 0.000 0.261 487 P C -0.122 177.167 177.300 -0.019 0.000 1.183 487 P CA 0.896 63.988 63.100 -0.015 0.000 0.761 487 P CB 0.486 32.176 31.700 -0.016 0.000 0.785 488 G N 2.826 111.616 108.800 -0.017 0.000 2.184 488 G HA2 -0.272 nan 3.960 nan 0.000 0.264 488 G HA3 -0.272 nan 3.960 nan 0.000 0.264 488 G C -0.819 174.068 174.900 -0.021 0.000 0.975 488 G CA 0.041 45.128 45.100 -0.020 0.000 0.642 488 G HN 0.113 8.394 8.290 -0.015 0.000 0.536 489 V N -0.186 119.717 119.914 -0.018 0.000 2.715 489 V HA 0.150 nan 4.120 nan 0.000 0.310 489 V C -1.046 175.041 176.094 -0.011 0.000 1.054 489 V CA -1.468 60.822 62.300 -0.017 0.000 0.928 489 V CB 1.659 33.471 31.823 -0.017 0.000 1.007 489 V HN -0.561 7.544 8.190 -0.015 0.075 0.437 490 D N 3.660 124.054 120.400 -0.011 0.000 2.371 490 D HA 0.017 nan 4.640 nan 0.000 0.256 490 D C 1.469 177.769 176.300 0.001 0.000 1.193 490 D CA 0.741 54.737 54.000 -0.006 0.000 0.881 490 D CB 1.581 42.376 40.800 -0.008 0.000 1.143 490 D HN 0.099 8.617 8.370 -0.015 -0.156 0.473 491 T N 7.368 121.925 114.554 0.005 0.000 2.759 491 T HA -0.303 nan 4.350 nan 0.000 0.269 491 T C 1.561 176.273 174.700 0.020 0.000 1.042 491 T CA 3.582 65.691 62.100 0.015 0.000 1.140 491 T CB -0.202 68.675 68.868 0.015 0.000 0.864 491 T HN 0.590 8.831 8.240 0.002 0.000 0.455 492 K N 0.611 121.019 120.400 0.012 0.000 2.152 492 K HA -0.164 nan 4.320 nan 0.000 0.206 492 K C 1.859 178.469 176.600 0.018 0.000 1.048 492 K CA 2.467 58.762 56.287 0.014 0.000 0.933 492 K CB -1.022 nan 32.500 nan 0.000 0.721 492 K HN -0.365 8.045 8.250 0.007 -0.155 0.447 493 I N -8.116 112.462 120.570 0.014 0.000 3.059 493 I HA -0.099 nan 4.170 nan 0.000 0.270 493 I C 0.849 176.978 176.117 0.020 0.000 1.238 493 I CA 1.263 62.573 61.300 0.016 0.000 1.478 493 I CB -0.002 38.001 38.000 0.006 0.000 1.097 493 I HN -0.798 7.393 8.210 0.009 0.024 0.455 494 L N -1.701 119.535 121.223 0.021 0.000 2.127 494 L HA -0.236 nan 4.340 nan 0.000 0.211 494 L C -0.068 176.811 176.870 0.015 0.000 1.089 494 L CA 1.930 56.781 54.840 0.017 0.000 0.757 494 L CB -0.178 41.898 42.059 0.028 0.000 0.899 494 L HN -0.800 7.408 8.230 0.023 0.036 0.434 495 D N -2.948 117.476 120.400 0.041 0.000 2.392 495 D HA 0.352 nan 4.640 nan 0.000 0.228 495 D C -0.656 175.626 176.300 -0.030 0.000 1.074 495 D CA -3.820 50.194 54.000 0.022 0.000 0.838 495 D CB 1.930 42.791 40.800 0.102 0.000 1.067 495 D HN -0.829 7.552 8.370 0.048 0.018 0.511 496 P HA -0.154 nan 4.420 nan 0.000 0.221 496 P C 1.234 178.523 177.300 -0.018 0.000 1.145 496 P CA 1.485 64.593 63.100 0.012 0.000 0.795 496 P CB 0.419 32.192 31.700 0.122 0.000 0.775 497 R N -1.710 118.593 120.500 -0.328 0.000 2.148 497 R HA -0.237 nan 4.340 nan 0.000 0.223 497 R C 2.733 179.071 176.300 0.064 0.000 1.088 497 R CA 3.348 59.319 56.100 -0.214 0.000 0.985 497 R CB -0.462 29.600 30.300 -0.395 0.000 0.880 497 R HN -0.079 8.174 8.270 -0.427 -0.240 0.451 498 N N -0.733 117.985 118.700 0.029 0.000 2.381 498 N HA -0.124 nan 4.740 nan 0.000 0.182 498 N C 0.960 176.518 175.510 0.080 0.000 1.025 498 N CA 2.568 55.648 53.050 0.051 0.000 0.888 498 N CB -0.269 38.232 38.487 0.023 0.000 0.965 498 N HN -0.225 8.117 8.380 -0.022 0.025 0.438 499 T N -5.584 109.032 114.554 0.104 0.000 3.113 499 T HA -0.005 nan 4.350 nan 0.000 0.256 499 T C -0.053 174.607 174.700 -0.067 0.000 1.131 499 T CA 0.820 62.927 62.100 0.011 0.000 1.074 499 T CB -0.040 68.805 68.868 -0.039 0.000 0.944 499 T HN -0.592 7.694 8.240 0.142 0.039 0.516 500 Y N -0.232 120.122 120.300 0.090 0.000 2.534 500 Y HA 0.180 nan 4.550 nan 0.000 0.329 500 Y C 0.243 176.189 175.900 0.077 0.000 1.154 500 Y CA -1.348 56.815 58.100 0.105 0.000 1.192 500 Y CB 1.954 40.508 38.460 0.156 0.000 1.275 500 Y HN -0.686 7.752 8.280 0.365 0.061 0.491 501 A N 2.405 125.369 122.820 0.240 0.000 1.972 501 A HA -0.165 nan 4.320 nan 0.000 0.219 501 A C -0.481 177.187 177.584 0.140 0.000 1.169 501 A CA 2.029 54.154 52.037 0.147 0.000 0.635 501 A CB 0.391 19.463 19.000 0.121 0.000 0.810 501 A HN 0.436 8.921 8.150 0.280 -0.168 0.446 502 S N -4.799 111.007 115.700 0.176 0.000 2.540 502 S HA 0.430 nan 4.470 nan 0.000 0.275 502 S C -1.776 172.908 174.600 0.140 0.000 1.123 502 S CA -3.044 55.233 58.200 0.129 0.000 0.907 502 S CB 1.215 64.474 63.200 0.098 0.000 1.081 502 S HN -0.734 7.865 8.310 0.241 -0.144 0.476 503 P HA -0.056 nan 4.420 nan 0.000 0.228 503 P C 0.357 177.750 177.300 0.155 0.000 1.151 503 P CA 1.736 64.903 63.100 0.112 0.000 0.770 503 P CB 0.238 31.972 31.700 0.057 0.000 0.786 504 E N -1.110 119.154 120.200 0.108 0.000 2.208 504 E HA -0.227 nan 4.350 nan 0.000 0.193 504 E C 1.859 178.487 176.600 0.046 0.000 0.988 504 E CA 2.043 58.495 56.400 0.088 0.000 0.828 504 E CB -0.695 29.044 29.700 0.065 0.000 0.763 504 E HN -0.458 7.894 8.360 0.094 0.064 0.478 505 Q N -0.500 119.312 119.800 0.020 0.000 2.079 505 Q HA -0.294 nan 4.340 nan 0.000 0.200 505 Q C 2.247 178.076 176.000 -0.285 0.000 0.974 505 Q CA 2.857 58.617 55.803 -0.071 0.000 0.840 505 Q CB -0.061 28.694 28.738 0.029 0.000 0.898 505 Q HN -0.354 7.817 8.270 0.060 0.135 0.430 506 W N -0.107 120.822 121.300 -0.618 0.000 2.363 506 W HA -0.405 nan 4.660 nan 0.000 0.296 506 W C 1.407 177.804 176.519 -0.203 0.000 1.212 506 W CA 3.637 60.626 57.345 -0.594 0.000 1.260 506 W CB 0.011 29.235 29.460 -0.395 0.000 1.131 506 W HN -0.589 7.497 8.180 -0.157 0.000 0.530 507 Q N -1.032 118.791 119.800 0.037 0.000 2.045 507 Q HA -0.537 nan 4.340 nan 0.000 0.206 507 Q C 1.915 177.796 176.000 -0.199 0.000 0.991 507 Q CA 3.523 59.282 55.803 -0.073 0.000 0.851 507 Q CB -0.895 27.901 28.738 0.096 0.000 0.911 507 Q HN -0.396 7.904 8.270 0.207 0.094 0.418 508 E N -1.051 119.076 120.200 -0.122 0.000 2.058 508 E HA -0.379 nan 4.350 nan 0.000 0.194 508 E C 2.422 178.954 176.600 -0.113 0.000 0.997 508 E CA 3.072 59.420 56.400 -0.087 0.000 0.801 508 E CB -0.161 29.519 29.700 -0.035 0.000 0.746 508 E HN -0.533 7.778 8.360 -0.082 0.000 0.450 509 K N -1.492 118.816 120.400 -0.153 0.000 2.097 509 K HA -0.259 nan 4.320 nan 0.000 0.205 509 K C 2.373 178.854 176.600 -0.199 0.000 1.050 509 K CA 2.749 58.980 56.287 -0.093 0.000 0.938 509 K CB -0.201 32.282 32.500 -0.028 0.000 0.718 509 K HN -0.799 7.336 8.250 -0.191 0.000 0.442 510 A N -0.148 122.393 122.820 -0.464 0.000 1.902 510 A HA -0.271 nan 4.320 nan 0.000 0.217 510 A C 2.135 179.591 177.584 -0.213 0.000 1.181 510 A CA 3.222 54.966 52.037 -0.489 0.000 0.623 510 A CB -1.041 17.276 19.000 -1.139 0.000 0.818 510 A HN 0.355 8.068 8.150 -0.596 0.079 0.443 511 E N -2.520 117.553 120.200 -0.211 0.000 2.110 511 E HA -0.413 nan 4.350 nan 0.000 0.193 511 E C 2.617 179.163 176.600 -0.091 0.000 0.988 511 E CA 3.382 59.700 56.400 -0.137 0.000 0.804 511 E CB -0.115 29.524 29.700 -0.101 0.000 0.745 511 E HN -0.172 8.039 8.360 -0.248 0.000 0.458 512 T N 2.830 117.342 114.554 -0.069 0.000 2.708 512 T HA -0.209 nan 4.350 nan 0.000 0.266 512 T C 2.174 176.834 174.700 -0.066 0.000 1.037 512 T CA 4.578 66.661 62.100 -0.029 0.000 1.146 512 T CB -0.373 68.517 68.868 0.036 0.000 0.865 512 T HN -0.592 7.518 8.240 -0.083 0.081 0.435 513 L N 0.585 121.727 121.223 -0.136 0.000 2.093 513 L HA -0.259 nan 4.340 nan 0.000 0.208 513 L C 0.993 177.935 176.870 0.120 0.000 1.085 513 L CA 2.570 57.313 54.840 -0.161 0.000 0.755 513 L CB -0.639 41.287 42.059 -0.221 0.000 0.904 513 L HN -0.174 7.980 8.230 -0.126 0.000 0.435 514 A N -1.121 121.707 122.820 0.013 0.000 1.908 514 A HA -0.422 nan 4.320 nan 0.000 0.218 514 A C 2.022 179.577 177.584 -0.049 0.000 1.181 514 A CA 3.398 55.322 52.037 -0.189 0.000 0.627 514 A CB -0.870 17.892 19.000 -0.397 0.000 0.818 514 A HN 0.262 8.394 8.150 -0.029 0.000 0.445 515 K N -1.806 118.574 120.400 -0.033 0.000 2.097 515 K HA -0.295 nan 4.320 nan 0.000 0.206 515 K C 2.451 179.066 176.600 0.025 0.000 1.049 515 K CA 3.115 59.396 56.287 -0.011 0.000 0.933 515 K CB -0.244 32.248 32.500 -0.013 0.000 0.717 515 K HN -0.570 7.651 8.250 -0.049 0.000 0.442 516 L N -1.036 120.224 121.223 0.061 0.000 2.083 516 L HA -0.369 nan 4.340 nan 0.000 0.209 516 L C 2.245 179.067 176.870 -0.081 0.000 1.083 516 L CA 2.909 57.790 54.840 0.068 0.000 0.752 516 L CB -0.345 41.821 42.059 0.178 0.000 0.899 516 L HN -0.668 7.490 8.230 0.059 0.108 0.433 517 F N -0.927 118.985 119.950 -0.063 0.000 2.113 517 F HA -0.396 nan 4.527 nan 0.000 0.297 517 F C 2.127 177.866 175.800 -0.102 0.000 1.103 517 F CA 4.994 62.918 58.000 -0.126 0.000 1.248 517 F CB -0.057 38.975 39.000 0.054 0.000 0.999 517 F HN -0.574 7.944 8.300 0.363 0.000 0.475 518 I N -1.221 119.435 120.570 0.143 0.000 2.208 518 I HA -0.673 nan 4.170 nan 0.000 0.245 518 I C 1.690 177.841 176.117 0.057 0.000 1.097 518 I CA 3.884 65.247 61.300 0.105 0.000 1.363 518 I CB -0.359 37.659 38.000 0.031 0.000 1.051 518 I HN -0.324 7.967 8.210 0.135 0.000 0.413 519 D N -1.682 118.706 120.400 -0.021 0.000 2.117 519 D HA -0.286 nan 4.640 nan 0.000 0.198 519 D C 2.838 179.066 176.300 -0.120 0.000 0.982 519 D CA 3.146 57.113 54.000 -0.055 0.000 0.828 519 D CB 0.122 40.890 40.800 -0.053 0.000 0.967 519 D HN -0.287 8.068 8.370 -0.025 0.000 0.464 520 N N 0.199 118.744 118.700 -0.259 0.000 2.120 520 N HA -0.265 nan 4.740 nan 0.000 0.188 520 N C 2.056 177.439 175.510 -0.212 0.000 1.024 520 N CA 2.859 55.682 53.050 -0.379 0.000 0.852 520 N CB 0.307 38.205 38.487 -0.981 0.000 1.003 520 N HN -0.540 7.650 8.380 -0.317 0.000 0.424 521 F N 0.083 119.914 119.950 -0.199 0.000 2.502 521 F HA -0.156 nan 4.527 nan 0.000 0.298 521 F C 1.059 176.856 175.800 -0.005 0.000 1.111 521 F CA 1.947 59.940 58.000 -0.012 0.000 1.445 521 F CB 0.140 39.145 39.000 0.008 0.000 1.081 521 F HN 0.014 8.345 8.300 0.051 0.000 0.558 522 D N -0.119 120.264 120.400 -0.028 0.000 2.190 522 D HA -0.337 nan 4.640 nan 0.000 0.200 522 D C 1.419 177.597 176.300 -0.204 0.000 0.992 522 D CA 3.280 57.240 54.000 -0.067 0.000 0.854 522 D CB -0.269 40.503 40.800 -0.047 0.000 0.936 522 D HN -0.399 7.801 8.370 -0.007 0.165 0.462 523 K N -2.565 117.608 120.400 -0.378 0.000 2.504 523 K HA -0.145 nan 4.320 nan 0.000 0.195 523 K C 1.748 178.011 176.600 -0.562 0.000 1.036 523 K CA 1.978 57.991 56.287 -0.457 0.000 0.984 523 K CB -0.498 31.694 32.500 -0.514 0.000 0.788 523 K HN -0.724 7.261 8.250 -0.402 0.024 0.488 524 Y N -2.304 117.751 120.300 -0.409 0.000 2.449 524 Y HA 0.127 nan 4.550 nan 0.000 0.254 524 Y C 0.701 176.419 175.900 -0.304 0.000 1.140 524 Y CA 0.155 57.978 58.100 -0.461 0.000 1.272 524 Y CB 0.507 38.398 38.460 -0.949 0.000 1.114 524 Y HN -0.192 7.541 8.280 -0.610 0.181 0.525 525 T N -3.567 110.924 114.554 -0.105 0.000 3.160 525 T HA -0.091 nan 4.350 nan 0.000 0.257 525 T C 0.419 175.121 174.700 0.004 0.000 1.147 525 T CA 0.977 63.081 62.100 0.006 0.000 1.064 525 T CB -0.720 68.176 68.868 0.046 0.000 0.949 525 T HN -0.700 7.281 8.240 -0.167 0.158 0.526 526 D N -2.075 118.312 120.400 -0.021 0.000 2.378 526 D HA -0.084 nan 4.640 nan 0.000 0.227 526 D C 0.148 176.445 176.300 -0.005 0.000 1.012 526 D CA 0.522 54.513 54.000 -0.015 0.000 0.905 526 D CB -0.537 40.247 40.800 -0.028 0.000 0.895 526 D HN -0.075 8.194 8.370 -0.047 0.073 0.532 527 T N -0.431 114.129 114.554 0.009 0.000 2.900 527 T HA 0.484 nan 4.350 nan 0.000 0.295 527 T C -1.556 173.163 174.700 0.031 0.000 1.044 527 T CA -3.182 58.925 62.100 0.012 0.000 0.995 527 T CB 1.798 70.669 68.868 0.006 0.000 1.072 527 T HN -0.746 7.398 8.240 0.017 0.106 0.473 528 P HA -0.113 nan 4.420 nan 0.000 0.219 528 P C 0.280 177.609 177.300 0.050 0.000 1.146 528 P CA 2.150 65.270 63.100 0.034 0.000 0.808 528 P CB 0.272 31.984 31.700 0.021 0.000 0.779 529 A N -1.245 121.604 122.820 0.048 0.000 1.897 529 A HA -0.195 nan 4.320 nan 0.000 0.215 529 A C 2.263 179.913 177.584 0.110 0.000 1.181 529 A CA 2.889 54.963 52.037 0.063 0.000 0.620 529 A CB -0.954 18.074 19.000 0.045 0.000 0.821 529 A HN -0.554 7.589 8.150 0.035 0.028 0.443 530 G N -2.823 106.047 108.800 0.116 0.000 2.448 530 G HA2 -0.278 nan 3.960 nan 0.000 0.218 530 G HA3 -0.278 nan 3.960 nan 0.000 0.218 530 G C 0.836 175.905 174.900 0.282 0.000 1.135 530 G CA 0.942 46.156 45.100 0.191 0.000 0.784 530 G HN 0.122 8.460 8.290 0.079 0.000 0.543 531 A N 0.923 123.847 122.820 0.172 0.000 1.969 531 A HA -0.106 nan 4.320 nan 0.000 0.218 531 A C 2.062 179.736 177.584 0.150 0.000 1.169 531 A CA 2.403 54.536 52.037 0.160 0.000 0.635 531 A CB -0.719 18.335 19.000 0.091 0.000 0.810 531 A HN -0.194 7.918 8.150 0.119 0.109 0.445 532 A N -1.715 121.180 122.820 0.125 0.000 2.066 532 A HA -0.130 nan 4.320 nan 0.000 0.218 532 A C 2.047 179.687 177.584 0.093 0.000 1.157 532 A CA 2.191 54.280 52.037 0.087 0.000 0.670 532 A CB -0.582 18.456 19.000 0.064 0.000 0.804 532 A HN -0.546 7.565 8.150 0.121 0.112 0.453 533 L N -2.740 118.585 121.223 0.170 0.000 2.313 533 L HA -0.195 nan 4.340 nan 0.000 0.214 533 L C 2.031 178.915 176.870 0.023 0.000 1.119 533 L CA 1.784 56.713 54.840 0.149 0.000 0.809 533 L CB -0.195 42.048 42.059 0.305 0.000 0.933 533 L HN -0.475 7.752 8.230 0.233 0.143 0.449 534 V N -4.337 115.636 119.914 0.097 0.000 2.568 534 V HA -0.298 nan 4.120 nan 0.000 0.253 534 V C 1.480 177.477 176.094 -0.161 0.000 1.072 534 V CA 2.774 65.065 62.300 -0.014 0.000 1.084 534 V CB -1.489 30.417 31.823 0.138 0.000 0.676 534 V HN -0.508 7.781 8.190 0.222 0.034 0.469 535 A N 0.425 123.183 122.820 -0.103 0.000 2.067 535 A HA -0.194 nan 4.320 nan 0.000 0.219 535 A C 0.856 178.318 177.584 -0.204 0.000 1.158 535 A CA 2.449 54.411 52.037 -0.125 0.000 0.661 535 A CB -0.773 18.188 19.000 -0.065 0.000 0.801 535 A HN -0.124 7.977 8.150 -0.037 0.027 0.452 536 A N -2.284 120.377 122.820 -0.265 0.000 2.072 536 A HA 0.068 nan 4.320 nan 0.000 0.216 536 A C 0.583 177.780 177.584 -0.644 0.000 1.156 536 A CA 0.286 52.128 52.037 -0.325 0.000 0.701 536 A CB 0.340 19.220 19.000 -0.199 0.000 0.816 536 A HN -0.174 7.672 8.150 -0.220 0.172 0.458 537 G N -1.115 107.050 108.800 -1.059 0.000 2.588 537 G HA2 0.106 nan 3.960 nan 0.000 0.278 537 G HA3 0.106 nan 3.960 nan 0.000 0.278 537 G C -2.488 171.980 174.900 -0.719 0.000 1.307 537 G CA -1.851 42.383 45.100 -1.444 0.000 1.016 537 G HN -0.782 6.839 8.290 -0.854 0.157 0.503 538 P HA 0.094 nan 4.420 nan 0.000 0.272 538 P C -2.089 174.949 177.300 -0.436 0.000 1.230 538 P CA -0.091 62.610 63.100 -0.666 0.000 0.788 538 P CB 0.601 31.602 31.700 -1.164 0.000 0.949 539 K N 1.466 121.659 120.400 -0.345 0.000 2.535 539 K HA 0.227 nan 4.320 nan 0.000 0.250 539 K C -1.819 174.676 176.600 -0.174 0.000 0.948 539 K CA -0.950 55.206 56.287 -0.219 0.000 0.796 539 K CB 2.448 34.851 32.500 -0.163 0.000 1.216 539 K HN 0.163 8.091 8.250 -0.362 0.105 0.432 540 L N 0.000 121.139 121.223 -0.139 0.000 2.949 540 L HA 0.000 nan 4.340 nan 0.000 0.249 540 L CA 0.000 54.779 54.840 -0.101 0.000 0.813 540 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 540 L HN 0.000 8.149 8.230 -0.134 0.000 0.502