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 1xi1_1_A DATA FIRST_RESID 5 DATA SEQUENCE PRKMYSCAFE TTTKVEDCRV WAYGYMNIED HSEYKIGNSL DEFMAWVLKV DATA SEQUENCE QADLYFHNLK FAGAFIINWL ERNGFKWSAD GLPNTYNTII SRMGQWYMID DATA SEQUENCE ICLGYKGKRK IHTVIYDSLK KLPFPVKKIA KDFKLTVLKG DIDYHKERPV DATA SEQUENCE GYKITPEEYA YIKNDIQIIA EALLIQFKQG LDRMTAGSDS LKGFKDIITT DATA SEQUENCE KKFKKVFPTL SLGLDKEVRY AYRGGFTWLN DRFKEKEIGE GMVFDVNSLY DATA SEQUENCE PAQMYSRLLP YGEPIVFEGK YVWDEDYPLH IQHIRCEFEL KEGYIPTIQI DATA SEQUENCE KRSRFYKGNE YLKSSGGEIA DLWLSNVDLE LMKEHYDLYN VEYISGLKFK DATA SEQUENCE ATTGLFKDFI DKWTYIKTTS EGAIKQLAKL MLNSLYGKFA SNPDVTGKVP DATA SEQUENCE YLKENGALGF RLGEEETKDP VYTPMGVFIT AWARYTTITA AQACYDRIIY DATA SEQUENCE CDTDSIHLTG TEIPDVIKDI VDPKKLGYWA HESTFKRAKY LRQKTYIQDI DATA SEQUENCE YMKEVDGKLV EGSPDDYTDI KFSVKCAGMT DKIKKEVTFE NFKVGFSRKM DATA SEQUENCE KPKPVQVPGG VVLVDDTFTI K 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.331 177.300 0.051 0.000 1.155 5 P CA 0.000 63.127 63.100 0.046 0.000 0.800 5 P CB 0.000 31.723 31.700 0.038 0.000 0.726 6 R N 2.288 122.827 120.500 0.064 0.000 2.267 6 R HA 0.345 4.686 4.340 0.001 0.000 0.319 6 R C 0.161 176.500 176.300 0.065 0.000 1.067 6 R CA -0.452 55.693 56.100 0.075 0.000 0.936 6 R CB 1.329 31.691 30.300 0.103 0.000 1.006 6 R HN 0.378 nan 8.270 nan 0.000 0.452 7 K N 2.596 123.040 120.400 0.074 0.000 2.138 7 K HA 0.319 4.640 4.320 0.001 0.000 0.251 7 K C 0.144 176.785 176.600 0.070 0.000 1.015 7 K CA 0.013 56.327 56.287 0.045 0.000 0.917 7 K CB 0.808 33.386 32.500 0.130 0.000 1.021 7 K HN 0.348 nan 8.250 nan 0.000 0.485 8 M N 2.359 121.908 119.600 -0.085 0.000 2.263 8 M HA 0.331 4.811 4.480 0.001 0.000 0.295 8 M C -1.493 174.728 176.300 -0.132 0.000 1.028 8 M CA -0.741 54.571 55.300 0.020 0.000 0.921 8 M CB 1.459 33.985 32.600 -0.123 0.000 1.601 8 M HN 0.414 nan 8.290 nan 0.000 0.440 9 Y N -0.013 120.404 120.300 0.195 0.000 2.524 9 Y HA 0.553 5.103 4.550 0.001 0.000 0.344 9 Y C 0.167 176.161 175.900 0.157 0.000 1.012 9 Y CA -0.939 57.279 58.100 0.196 0.000 1.068 9 Y CB 2.231 40.886 38.460 0.324 0.000 1.249 9 Y HN 0.594 nan 8.280 nan 0.000 0.468 10 S N 1.890 117.708 115.700 0.196 0.000 2.520 10 S HA 0.651 5.121 4.470 0.001 0.000 0.324 10 S C -0.954 173.600 174.600 -0.077 0.000 1.069 10 S CA -0.430 57.780 58.200 0.016 0.000 1.121 10 S CB -0.663 62.471 63.200 -0.110 0.000 0.971 10 S HN 0.682 nan 8.310 nan 0.000 0.463 11 C N 3.509 122.612 119.300 -0.328 0.000 2.505 11 C HA 1.058 5.519 4.460 0.001 0.000 0.358 11 C C 0.463 174.930 174.990 -0.872 0.000 1.226 11 C CA -0.529 58.078 59.018 -0.684 0.000 1.900 11 C CB 0.665 27.713 27.740 -1.154 0.000 2.306 11 C HN 1.079 nan 8.230 nan 0.000 0.512 12 A N 0.486 122.903 122.820 -0.672 0.000 2.605 12 A HA 0.847 5.168 4.320 0.001 0.000 0.294 12 A C -1.470 176.038 177.584 -0.127 0.000 1.062 12 A CA -0.375 51.482 52.037 -0.299 0.000 0.682 12 A CB 0.758 19.651 19.000 -0.179 0.000 1.278 12 A HN 0.749 nan 8.150 nan 0.000 0.410 13 F N 0.371 120.320 119.950 -0.001 0.000 2.579 13 F HA 0.640 5.168 4.527 0.001 0.000 0.324 13 F C 0.095 175.718 175.800 -0.295 0.000 1.058 13 F CA -0.794 57.085 58.000 -0.202 0.000 0.944 13 F CB 2.182 41.010 39.000 -0.286 0.000 1.245 13 F HN 0.446 nan 8.300 nan 0.000 0.477 14 E N 1.569 121.575 120.200 -0.324 0.000 2.241 14 E HA 0.303 4.653 4.350 0.001 0.000 0.263 14 E C -0.883 175.290 176.600 -0.712 0.000 0.882 14 E CA -0.338 55.704 56.400 -0.597 0.000 0.769 14 E CB 2.273 31.230 29.700 -1.237 0.000 1.185 14 E HN 0.709 nan 8.360 nan 0.000 0.415 15 T N -0.760 113.687 114.554 -0.178 0.000 2.926 15 T HA 0.572 4.922 4.350 0.001 0.000 0.289 15 T C 0.392 175.353 174.700 0.434 0.000 1.054 15 T CA -0.604 61.528 62.100 0.053 0.000 1.015 15 T CB 1.493 70.300 68.868 -0.101 0.000 1.167 15 T HN 0.095 nan 8.240 nan 0.000 0.526 16 T N 1.447 116.241 114.554 0.399 0.000 2.828 16 T HA 0.389 4.739 4.350 0.001 0.000 0.290 16 T C 1.526 176.370 174.700 0.240 0.000 1.019 16 T CA 0.016 62.290 62.100 0.289 0.000 1.031 16 T CB 0.823 69.812 68.868 0.202 0.000 1.001 16 T HN 0.948 nan 8.240 nan 0.000 0.531 17 T N -1.959 112.696 114.554 0.168 0.000 3.044 17 T HA 0.268 4.619 4.350 0.001 0.000 0.260 17 T C 0.395 175.159 174.700 0.106 0.000 1.019 17 T CA -0.296 61.892 62.100 0.146 0.000 0.921 17 T CB 0.102 69.050 68.868 0.134 0.000 1.053 17 T HN 0.266 nan 8.240 nan 0.000 0.533 18 K N 1.448 121.901 120.400 0.088 0.000 2.234 18 K HA 0.401 4.722 4.320 0.001 0.000 0.282 18 K C 0.902 177.536 176.600 0.055 0.000 1.039 18 K CA -0.341 55.982 56.287 0.060 0.000 0.928 18 K CB 1.843 34.369 32.500 0.043 0.000 1.039 18 K HN -0.119 nan 8.250 nan 0.000 0.470 19 V N 3.044 122.982 119.914 0.041 0.000 2.332 19 V HA -0.266 3.855 4.120 0.001 0.000 0.248 19 V C 1.285 177.390 176.094 0.017 0.000 1.055 19 V CA 1.859 64.175 62.300 0.027 0.000 1.038 19 V CB -0.461 31.374 31.823 0.020 0.000 0.651 19 V HN 0.738 nan 8.190 nan 0.000 0.450 20 E N -0.167 120.045 120.200 0.020 0.000 2.478 20 E HA 0.022 4.373 4.350 0.001 0.000 0.194 20 E C 0.550 177.164 176.600 0.023 0.000 1.045 20 E CA 0.555 56.964 56.400 0.016 0.000 0.868 20 E CB -0.073 29.635 29.700 0.014 0.000 0.885 20 E HN 0.597 nan 8.360 nan 0.000 0.505 21 D N 0.062 120.483 120.400 0.036 0.000 2.849 21 D HA 0.073 4.713 4.640 0.001 0.000 0.314 21 D C -1.506 174.841 176.300 0.078 0.000 1.210 21 D CA -0.607 53.423 54.000 0.049 0.000 0.756 21 D CB -0.071 40.755 40.800 0.043 0.000 1.222 21 D HN 0.117 nan 8.370 nan 0.000 0.521 22 C N 3.464 122.810 119.300 0.077 0.000 2.303 22 C HA 0.828 5.288 4.460 0.001 0.000 0.341 22 C C -0.079 175.024 174.990 0.188 0.000 1.244 22 C CA -0.201 58.893 59.018 0.127 0.000 1.765 22 C CB -1.321 26.445 27.740 0.043 0.000 2.379 22 C HN 0.629 nan 8.230 nan 0.000 0.530 23 R N 3.761 124.433 120.500 0.287 0.000 2.712 23 R HA 0.586 4.927 4.340 0.001 0.000 0.272 23 R C -2.099 174.310 176.300 0.182 0.000 1.032 23 R CA -0.881 55.386 56.100 0.279 0.000 0.874 23 R CB 0.776 31.183 30.300 0.178 0.000 1.256 23 R HN 0.303 nan 8.270 nan 0.000 0.468 24 V N 2.984 122.890 119.914 -0.013 0.000 2.427 24 V HA 0.128 4.248 4.120 0.001 0.000 0.268 24 V C 0.601 176.672 176.094 -0.038 0.000 1.046 24 V CA -0.183 61.945 62.300 -0.287 0.000 0.970 24 V CB 0.557 31.995 31.823 -0.643 0.000 1.001 24 V HN 0.857 nan 8.190 nan 0.000 0.476 25 W N 4.122 125.385 121.300 -0.061 0.000 3.177 25 W HA 0.706 5.367 4.660 0.001 0.000 0.309 25 W C -0.057 176.487 176.519 0.042 0.000 1.224 25 W CA 0.235 57.590 57.345 0.018 0.000 1.718 25 W CB 0.250 29.721 29.460 0.019 0.000 1.078 25 W HN 0.584 nan 8.180 nan 0.000 0.618 26 A N 1.448 123.999 122.820 -0.449 0.000 2.566 26 A HA 0.617 4.938 4.320 0.001 0.000 0.297 26 A C -1.894 175.488 177.584 -0.337 0.000 1.059 26 A CA -0.632 51.141 52.037 -0.441 0.000 0.691 26 A CB 0.777 19.314 19.000 -0.772 0.000 1.282 26 A HN 0.388 nan 8.150 nan 0.000 0.401 27 Y N -0.336 119.821 120.300 -0.239 0.000 2.669 27 Y HA 0.935 5.486 4.550 0.001 0.000 0.335 27 Y C -0.045 175.695 175.900 -0.266 0.000 1.116 27 Y CA -1.246 56.743 58.100 -0.184 0.000 1.081 27 Y CB 1.183 39.523 38.460 -0.201 0.000 1.297 27 Y HN 1.562 nan 8.280 nan 0.000 0.484 28 G N 0.767 109.529 108.800 -0.064 0.000 2.733 28 G HA2 0.486 4.447 3.960 0.001 0.000 0.297 28 G HA3 0.486 4.447 3.960 0.001 0.000 0.297 28 G C -2.566 172.252 174.900 -0.137 0.000 1.452 28 G CA -0.780 44.187 45.100 -0.221 0.000 0.940 28 G HN 1.182 nan 8.290 nan 0.000 0.547 29 Y N -0.253 119.992 120.300 -0.092 0.000 2.492 29 Y HA 0.875 5.426 4.550 0.001 0.000 0.346 29 Y C -0.685 175.271 175.900 0.093 0.000 0.997 29 Y CA -2.133 55.929 58.100 -0.063 0.000 1.025 29 Y CB 2.113 40.429 38.460 -0.239 0.000 1.263 29 Y HN 0.688 nan 8.280 nan 0.000 0.454 30 M N 3.483 123.311 119.600 0.380 0.000 2.446 30 M HA 0.427 4.907 4.480 0.001 0.000 0.294 30 M C -1.667 174.786 176.300 0.255 0.000 1.158 30 M CA -0.655 54.819 55.300 0.291 0.000 0.899 30 M CB 2.176 34.752 32.600 -0.041 0.000 1.687 30 M HN 0.987 nan 8.290 nan 0.000 0.455 31 N N 3.859 122.642 118.700 0.137 0.000 2.402 31 N HA 0.177 4.918 4.740 0.001 0.000 0.259 31 N C 0.903 176.371 175.510 -0.070 0.000 1.167 31 N CA -0.142 52.768 53.050 -0.232 0.000 0.949 31 N CB 0.331 38.723 38.487 -0.160 0.000 1.212 31 N HN 0.710 nan 8.380 nan 0.000 0.493 32 I N 2.110 122.587 120.570 -0.155 0.000 2.227 32 I HA -0.384 3.787 4.170 0.001 0.000 0.250 32 I C 1.734 177.900 176.117 0.082 0.000 1.087 32 I CA 1.607 62.861 61.300 -0.076 0.000 1.352 32 I CB -0.133 37.719 38.000 -0.246 0.000 1.043 32 I HN 0.712 nan 8.210 nan 0.000 0.425 33 E N -0.659 119.513 120.200 -0.047 0.000 2.140 33 E HA -0.093 4.258 4.350 0.001 0.000 0.191 33 E C 0.600 177.167 176.600 -0.054 0.000 0.973 33 E CA 0.440 56.801 56.400 -0.065 0.000 0.829 33 E CB 0.265 29.908 29.700 -0.095 0.000 0.781 33 E HN 0.222 nan 8.360 nan 0.000 0.466 34 D N -0.192 120.220 120.400 0.020 0.000 2.432 34 D HA 0.068 4.708 4.640 0.001 0.000 0.265 34 D C -0.253 176.153 176.300 0.177 0.000 1.160 34 D CA -0.305 53.718 54.000 0.039 0.000 0.911 34 D CB 0.103 40.925 40.800 0.036 0.000 1.052 34 D HN 0.201 nan 8.370 nan 0.000 0.508 35 H N 0.785 119.855 119.070 -0.001 0.000 2.570 35 H HA -0.051 4.506 4.556 0.001 0.000 0.280 35 H C 1.761 177.145 175.328 0.093 0.000 1.038 35 H CA 0.533 56.586 56.048 0.008 0.000 1.186 35 H CB 0.494 30.224 29.762 -0.052 0.000 1.339 35 H HN 0.261 nan 8.280 nan 0.000 0.615 36 S N 0.004 115.850 115.700 0.242 0.000 2.503 36 S HA -0.061 4.410 4.470 0.001 0.000 0.217 36 S C 0.774 175.558 174.600 0.307 0.000 0.999 36 S CA -0.299 58.058 58.200 0.261 0.000 0.914 36 S CB 0.397 63.684 63.200 0.145 0.000 0.782 36 S HN 0.378 nan 8.310 nan 0.000 0.520 37 E N 0.732 121.101 120.200 0.282 0.000 2.081 37 E HA 0.454 4.805 4.350 0.001 0.000 0.281 37 E C -1.334 175.490 176.600 0.374 0.000 0.986 37 E CA -0.786 55.766 56.400 0.253 0.000 0.796 37 E CB 0.603 30.456 29.700 0.255 0.000 1.085 37 E HN 0.613 nan 8.360 nan 0.000 0.398 38 Y N 1.429 121.777 120.300 0.080 0.000 2.662 38 Y HA 0.547 5.097 4.550 0.001 0.000 0.334 38 Y C -1.902 173.795 175.900 -0.340 0.000 1.185 38 Y CA -1.374 56.660 58.100 -0.109 0.000 1.074 38 Y CB 0.936 39.326 38.460 -0.118 0.000 1.330 38 Y HN 0.298 nan 8.280 nan 0.000 0.458 39 K N 2.085 122.063 120.400 -0.703 0.000 2.523 39 K HA 0.764 5.085 4.320 0.001 0.000 0.257 39 K C -2.387 173.871 176.600 -0.570 0.000 0.932 39 K CA -0.494 55.390 56.287 -0.671 0.000 0.812 39 K CB 1.969 33.998 32.500 -0.785 0.000 1.326 39 K HN 0.835 nan 8.250 nan 0.000 0.433 40 I N 3.474 123.775 120.570 -0.448 0.000 2.439 40 I HA 0.539 4.710 4.170 0.001 0.000 0.285 40 I C -0.021 175.738 176.117 -0.597 0.000 1.021 40 I CA -0.745 60.187 61.300 -0.614 0.000 1.091 40 I CB 2.039 39.631 38.000 -0.681 0.000 1.242 40 I HN 0.791 nan 8.210 nan 0.000 0.439 41 G N 3.528 111.601 108.800 -1.212 0.000 2.816 41 G HA2 0.311 4.272 3.960 0.001 0.000 0.288 41 G HA3 0.311 4.272 3.960 0.001 0.000 0.288 41 G C -0.291 174.326 174.900 -0.472 0.000 1.334 41 G CA -0.466 44.210 45.100 -0.707 0.000 0.978 41 G HN 0.618 nan 8.290 nan 0.000 0.493 42 N N -1.358 117.321 118.700 -0.036 0.000 2.351 42 N HA 0.138 4.879 4.740 0.001 0.000 0.254 42 N C -0.430 175.200 175.510 0.200 0.000 1.241 42 N CA -0.200 52.915 53.050 0.109 0.000 0.883 42 N CB 1.200 39.796 38.487 0.182 0.000 1.202 42 N HN 0.344 nan 8.380 nan 0.000 0.512 43 S N 0.662 116.544 115.700 0.303 0.000 2.779 43 S HA 0.304 4.774 4.470 0.001 0.000 0.293 43 S C 0.514 175.241 174.600 0.212 0.000 1.150 43 S CA -0.727 57.621 58.200 0.246 0.000 1.057 43 S CB 0.745 64.072 63.200 0.213 0.000 1.021 43 S HN 0.153 nan 8.310 nan 0.000 0.485 44 L N 4.688 125.959 121.223 0.080 0.000 2.131 44 L HA 0.070 4.410 4.340 0.001 0.000 0.210 44 L C 1.452 178.257 176.870 -0.108 0.000 1.092 44 L CA 2.146 56.946 54.840 -0.067 0.000 0.759 44 L CB -0.430 41.550 42.059 -0.132 0.000 0.903 44 L HN 0.686 nan 8.230 nan 0.000 0.435 45 D N -0.599 119.825 120.400 0.040 0.000 2.144 45 D HA -0.223 4.418 4.640 0.001 0.000 0.199 45 D C 2.070 178.368 176.300 -0.003 0.000 0.984 45 D CA 1.403 55.465 54.000 0.103 0.000 0.834 45 D CB 0.017 40.968 40.800 0.251 0.000 0.955 45 D HN 0.562 nan 8.370 nan 0.000 0.465 46 E N -0.838 119.388 120.200 0.043 0.000 2.107 46 E HA -0.160 4.190 4.350 0.001 0.000 0.191 46 E C 1.786 178.347 176.600 -0.064 0.000 0.982 46 E CA 0.405 56.837 56.400 0.054 0.000 0.809 46 E CB -0.103 29.702 29.700 0.175 0.000 0.756 46 E HN 0.256 nan 8.360 nan 0.000 0.459 47 F N 0.946 120.627 119.950 -0.448 0.000 2.113 47 F HA -0.151 4.376 4.527 0.001 0.000 0.297 47 F C 2.053 177.698 175.800 -0.259 0.000 1.103 47 F CA 1.226 58.861 58.000 -0.609 0.000 1.248 47 F CB -0.163 38.282 39.000 -0.924 0.000 0.999 47 F HN 0.036 nan 8.300 nan 0.000 0.475 48 M N 0.641 119.876 119.600 -0.608 0.000 2.159 48 M HA -0.119 4.361 4.480 0.001 0.000 0.263 48 M C 2.505 178.411 176.300 -0.657 0.000 1.063 48 M CA 1.524 56.251 55.300 -0.955 0.000 1.110 48 M CB -2.012 29.418 32.600 -1.950 0.000 1.374 48 M HN 0.345 nan 8.290 nan 0.000 0.411 49 A N -1.022 121.584 122.820 -0.356 0.000 1.902 49 A HA -0.229 4.092 4.320 0.001 0.000 0.217 49 A C 2.065 179.574 177.584 -0.124 0.000 1.181 49 A CA 1.636 53.600 52.037 -0.122 0.000 0.623 49 A CB -1.276 17.729 19.000 0.008 0.000 0.818 49 A HN 0.687 nan 8.150 nan 0.000 0.443 50 W N 0.680 121.774 121.300 -0.343 0.000 2.355 50 W HA -0.159 4.502 4.660 0.001 0.000 0.309 50 W C 1.919 178.147 176.519 -0.485 0.000 1.206 50 W CA 2.148 59.275 57.345 -0.362 0.000 1.284 50 W CB -0.466 28.781 29.460 -0.354 0.000 1.145 50 W HN 0.091 nan 8.180 nan 0.000 0.502 51 V N 1.729 121.269 119.914 -0.623 0.000 2.282 51 V HA -0.367 3.754 4.120 0.001 0.000 0.249 51 V C 2.372 178.101 176.094 -0.609 0.000 1.057 51 V CA 2.233 64.046 62.300 -0.812 0.000 1.032 51 V CB -1.134 30.248 31.823 -0.734 0.000 0.645 51 V HN 0.287 nan 8.190 nan 0.000 0.447 52 L N -0.783 120.188 121.223 -0.420 0.000 2.275 52 L HA -0.148 4.193 4.340 0.001 0.000 0.215 52 L C 2.401 179.140 176.870 -0.219 0.000 1.119 52 L CA 1.452 56.150 54.840 -0.237 0.000 0.790 52 L CB -0.555 41.461 42.059 -0.071 0.000 0.919 52 L HN 0.363 nan 8.230 nan 0.000 0.443 53 K N -0.691 119.525 120.400 -0.308 0.000 2.242 53 K HA 0.027 4.348 4.320 0.001 0.000 0.200 53 K C 1.998 178.388 176.600 -0.350 0.000 1.050 53 K CA 0.341 56.474 56.287 -0.257 0.000 0.981 53 K CB 0.102 32.485 32.500 -0.194 0.000 0.795 53 K HN -0.013 nan 8.250 nan 0.000 0.477 54 V N 2.053 121.583 119.914 -0.639 0.000 2.688 54 V HA -0.216 3.904 4.120 0.001 0.000 0.256 54 V C 0.512 176.377 176.094 -0.383 0.000 1.084 54 V CA 1.277 63.163 62.300 -0.690 0.000 1.103 54 V CB -0.847 30.144 31.823 -1.387 0.000 0.688 54 V HN 0.478 nan 8.190 nan 0.000 0.480 55 Q N -1.003 118.621 119.800 -0.292 0.000 2.431 55 Q HA -0.249 4.092 4.340 0.001 0.000 0.344 55 Q C 0.043 175.988 176.000 -0.093 0.000 1.384 55 Q CA 0.440 56.161 55.803 -0.137 0.000 0.984 55 Q CB -1.384 27.313 28.738 -0.068 0.000 1.204 55 Q HN 0.770 nan 8.270 nan 0.000 0.392 56 A N 0.129 122.865 122.820 -0.140 0.000 2.566 56 A HA 0.724 5.045 4.320 0.001 0.000 0.291 56 A C -1.368 176.209 177.584 -0.011 0.000 1.278 56 A CA -0.779 51.248 52.037 -0.017 0.000 0.711 56 A CB 1.281 20.335 19.000 0.090 0.000 1.332 56 A HN 0.156 nan 8.150 nan 0.000 0.478 57 D N 1.183 121.657 120.400 0.123 0.000 2.344 57 D HA 0.576 5.217 4.640 0.001 0.000 0.239 57 D C -0.834 175.610 176.300 0.240 0.000 1.064 57 D CA 0.190 54.294 54.000 0.174 0.000 0.829 57 D CB 1.283 42.265 40.800 0.302 0.000 1.129 57 D HN 0.426 nan 8.370 nan 0.000 0.506 58 L N 1.747 123.045 121.223 0.124 0.000 2.331 58 L HA 0.522 4.863 4.340 0.001 0.000 0.275 58 L C -0.880 176.055 176.870 0.108 0.000 1.022 58 L CA -1.044 53.929 54.840 0.221 0.000 0.812 58 L CB 1.001 43.182 42.059 0.203 0.000 1.257 58 L HN 0.237 nan 8.230 nan 0.000 0.435 59 Y N 0.991 121.399 120.300 0.179 0.000 2.391 59 Y HA 0.548 5.099 4.550 0.001 0.000 0.341 59 Y C -0.595 175.312 175.900 0.011 0.000 0.965 59 Y CA -0.553 57.661 58.100 0.190 0.000 1.067 59 Y CB 1.867 40.422 38.460 0.159 0.000 1.199 59 Y HN 0.250 nan 8.280 nan 0.000 0.450 60 F N 0.888 120.953 119.950 0.192 0.000 2.522 60 F HA 0.364 4.891 4.527 0.001 0.000 0.324 60 F C -0.139 175.742 175.800 0.135 0.000 1.077 60 F CA -1.011 57.033 58.000 0.074 0.000 0.944 60 F CB 1.347 40.312 39.000 -0.057 0.000 1.175 60 F HN 0.462 nan 8.300 nan 0.000 0.468 61 H N 2.797 121.963 119.070 0.159 0.000 2.761 61 H HA 0.251 4.808 4.556 0.001 0.000 0.284 61 H C -0.281 175.090 175.328 0.071 0.000 1.105 61 H CA -0.273 55.830 56.048 0.091 0.000 1.352 61 H CB 0.044 29.820 29.762 0.024 0.000 1.423 61 H HN 0.562 nan 8.280 nan 0.000 0.464 62 N N 3.731 122.340 118.700 -0.152 0.000 2.890 62 N HA -0.186 4.555 4.740 0.001 0.000 0.257 62 N C 0.260 175.734 175.510 -0.061 0.000 1.111 62 N CA 0.417 53.385 53.050 -0.138 0.000 0.669 62 N CB -1.226 37.176 38.487 -0.143 0.000 0.950 62 N HN 0.520 nan 8.380 nan 0.000 0.568 63 L N 1.819 123.014 121.223 -0.046 0.000 2.187 63 L HA -0.021 4.319 4.340 0.001 0.000 0.213 63 L C 2.169 178.762 176.870 -0.462 0.000 1.100 63 L CA 2.386 57.162 54.840 -0.108 0.000 0.765 63 L CB -0.477 41.621 42.059 0.064 0.000 0.904 63 L HN 0.560 nan 8.230 nan 0.000 0.437 64 K N -1.576 118.491 120.400 -0.556 0.000 2.218 64 K HA -0.263 4.058 4.320 0.001 0.000 0.205 64 K C 1.929 178.001 176.600 -0.880 0.000 1.046 64 K CA 1.880 57.426 56.287 -1.235 0.000 0.933 64 K CB -0.266 31.928 32.500 -0.509 0.000 0.728 64 K HN 0.428 nan 8.250 nan 0.000 0.454 65 F N 0.168 119.801 119.950 -0.529 0.000 2.208 65 F HA 0.155 4.682 4.527 0.001 0.000 0.282 65 F C 2.076 177.783 175.800 -0.155 0.000 1.071 65 F CA 1.043 58.885 58.000 -0.262 0.000 1.228 65 F CB -0.557 38.369 39.000 -0.123 0.000 1.088 65 F HN -0.000 nan 8.300 nan 0.000 0.512 66 A N 0.363 123.127 122.820 -0.094 0.000 1.940 66 A HA -0.075 4.246 4.320 0.001 0.000 0.219 66 A C 2.370 179.769 177.584 -0.309 0.000 1.176 66 A CA 1.697 53.571 52.037 -0.272 0.000 0.631 66 A CB -1.879 16.589 19.000 -0.887 0.000 0.814 66 A HN 0.542 nan 8.150 nan 0.000 0.446 67 G N -0.725 107.790 108.800 -0.475 0.000 2.470 67 G HA2 0.027 3.988 3.960 0.001 0.000 0.220 67 G HA3 0.027 3.988 3.960 0.001 0.000 0.220 67 G C 1.606 176.426 174.900 -0.134 0.000 1.121 67 G CA 1.323 46.236 45.100 -0.312 0.000 0.766 67 G HN 0.772 nan 8.290 nan 0.000 0.553 68 A N 0.609 123.244 122.820 -0.308 0.000 1.873 68 A HA 0.184 4.505 4.320 0.001 0.000 0.215 68 A C 2.083 179.601 177.584 -0.110 0.000 1.186 68 A CA 1.185 53.146 52.037 -0.127 0.000 0.616 68 A CB -0.479 18.336 19.000 -0.308 0.000 0.823 68 A HN 0.274 nan 8.150 nan 0.000 0.442 69 F N 0.120 119.969 119.950 -0.169 0.000 2.234 69 F HA -0.060 4.468 4.527 0.001 0.000 0.299 69 F C 2.092 177.899 175.800 0.011 0.000 1.087 69 F CA 0.977 58.916 58.000 -0.102 0.000 1.340 69 F CB -0.437 38.451 39.000 -0.185 0.000 1.031 69 F HN 0.123 nan 8.300 nan 0.000 0.500 70 I N -0.374 120.332 120.570 0.226 0.000 2.202 70 I HA -0.271 3.900 4.170 0.001 0.000 0.242 70 I C 2.254 178.431 176.117 0.101 0.000 1.091 70 I CA 0.829 62.231 61.300 0.170 0.000 1.368 70 I CB -0.365 37.684 38.000 0.082 0.000 1.058 70 I HN 0.033 nan 8.210 nan 0.000 0.410 71 I N 0.695 121.294 120.570 0.049 0.000 2.286 71 I HA -0.270 3.901 4.170 0.001 0.000 0.248 71 I C 2.263 178.384 176.117 0.007 0.000 1.115 71 I CA 1.443 62.707 61.300 -0.060 0.000 1.392 71 I CB -1.645 36.393 38.000 0.064 0.000 1.065 71 I HN 0.353 nan 8.210 nan 0.000 0.418 72 N N -0.167 118.555 118.700 0.036 0.000 2.137 72 N HA -0.256 4.485 4.740 0.001 0.000 0.190 72 N C 1.839 177.385 175.510 0.059 0.000 1.017 72 N CA 1.595 54.652 53.050 0.011 0.000 0.859 72 N CB -0.224 38.241 38.487 -0.038 0.000 1.002 72 N HN 0.504 nan 8.380 nan 0.000 0.428 73 W N 1.784 123.064 121.300 -0.033 0.000 2.407 73 W HA 0.065 4.725 4.660 0.001 0.000 0.305 73 W C 2.146 178.654 176.519 -0.018 0.000 1.196 73 W CA 0.590 57.926 57.345 -0.015 0.000 1.311 73 W CB -0.451 29.003 29.460 -0.010 0.000 1.135 73 W HN -0.070 nan 8.180 nan 0.000 0.514 74 L N 0.550 121.893 121.223 0.201 0.000 2.012 74 L HA -0.255 4.086 4.340 0.001 0.000 0.210 74 L C 2.573 179.497 176.870 0.091 0.000 1.073 74 L CA 1.542 56.416 54.840 0.058 0.000 0.748 74 L CB -0.944 41.012 42.059 -0.171 0.000 0.891 74 L HN -0.027 nan 8.230 nan 0.000 0.431 75 E N 0.216 120.470 120.200 0.090 0.000 2.204 75 E HA -0.187 4.164 4.350 0.001 0.000 0.195 75 E C 2.232 178.844 176.600 0.020 0.000 0.990 75 E CA 1.056 57.535 56.400 0.132 0.000 0.821 75 E CB -0.057 29.714 29.700 0.120 0.000 0.750 75 E HN 0.512 nan 8.360 nan 0.000 0.477 76 R N 0.303 120.739 120.500 -0.107 0.000 2.246 76 R HA 0.101 4.442 4.340 0.001 0.000 0.199 76 R C 0.737 176.895 176.300 -0.237 0.000 0.984 76 R CA 0.195 56.194 56.100 -0.168 0.000 1.015 76 R CB 0.222 30.390 30.300 -0.220 0.000 0.930 76 R HN 0.005 nan 8.270 nan 0.000 0.475 77 N N 0.369 118.882 118.700 -0.310 0.000 2.635 77 N HA 0.096 4.837 4.740 0.001 0.000 0.307 77 N C 0.064 175.576 175.510 0.002 0.000 1.433 77 N CA 0.364 53.240 53.050 -0.289 0.000 0.973 77 N CB 1.655 39.664 38.487 -0.796 0.000 1.304 77 N HN 0.312 nan 8.380 nan 0.000 0.507 78 G N 0.471 109.273 108.800 0.002 0.000 2.162 78 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 78 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 78 G C -0.217 174.626 174.900 -0.094 0.000 0.976 78 G CA -0.023 45.050 45.100 -0.044 0.000 0.655 78 G HN 0.323 nan 8.290 nan 0.000 0.533 79 F N 1.047 121.030 119.950 0.055 0.000 2.450 79 F HA 0.663 5.190 4.527 0.001 0.000 0.332 79 F C 0.666 176.602 175.800 0.228 0.000 1.093 79 F CA -0.426 57.674 58.000 0.166 0.000 1.003 79 F CB 1.773 40.929 39.000 0.260 0.000 1.151 79 F HN 0.248 nan 8.300 nan 0.000 0.474 80 K N 1.241 121.833 120.400 0.320 0.000 2.435 80 K HA 0.389 4.710 4.320 0.001 0.000 0.251 80 K C -1.573 174.975 176.600 -0.086 0.000 0.954 80 K CA -0.964 55.437 56.287 0.190 0.000 0.820 80 K CB 1.727 34.281 32.500 0.089 0.000 1.292 80 K HN 0.630 nan 8.250 nan 0.000 0.436 81 W N 2.012 123.047 121.300 -0.442 0.000 2.210 81 W HA 0.217 4.878 4.660 0.001 0.000 0.330 81 W C -0.416 175.901 176.519 -0.336 0.000 1.334 81 W CA 0.937 57.833 57.345 -0.748 0.000 1.227 81 W CB 0.946 30.127 29.460 -0.465 0.000 1.178 81 W HN 0.590 nan 8.180 nan 0.000 0.560 82 S N 4.816 119.908 115.700 -1.013 0.000 2.750 82 S HA 0.459 4.930 4.470 0.001 0.000 0.276 82 S C 0.655 174.562 174.600 -1.156 0.000 1.165 82 S CA -0.130 57.615 58.200 -0.758 0.000 1.047 82 S CB 0.873 63.850 63.200 -0.371 0.000 1.056 82 S HN 0.985 nan 8.310 nan 0.000 0.481 83 A N 3.455 125.582 122.820 -1.155 0.000 2.067 83 A HA -0.050 4.271 4.320 0.001 0.000 0.224 83 A C 0.418 177.744 177.584 -0.430 0.000 1.172 83 A CA 1.818 53.382 52.037 -0.787 0.000 0.662 83 A CB -0.336 18.575 19.000 -0.149 0.000 0.814 83 A HN 0.849 nan 8.150 nan 0.000 0.468 84 D N -3.111 117.094 120.400 -0.326 0.000 2.400 84 D HA 0.429 5.069 4.640 0.001 0.000 0.197 84 D C 0.353 176.577 176.300 -0.126 0.000 1.295 84 D CA 0.553 54.445 54.000 -0.179 0.000 0.878 84 D CB 0.557 41.298 40.800 -0.097 0.000 1.659 84 D HN 0.791 nan 8.370 nan 0.000 0.546 85 G N 1.586 110.326 108.800 -0.099 0.000 2.539 85 G HA2 0.063 4.024 3.960 0.001 0.000 0.256 85 G HA3 0.063 4.024 3.960 0.001 0.000 0.256 85 G C -0.170 174.705 174.900 -0.043 0.000 1.233 85 G CA -0.040 45.038 45.100 -0.036 0.000 0.936 85 G HN 1.487 nan 8.290 nan 0.000 0.571 86 L N -0.807 120.425 121.223 0.014 0.000 2.629 86 L HA -0.013 4.328 4.340 0.001 0.000 0.595 86 L C -1.903 174.967 176.870 0.001 0.000 1.000 86 L CA 0.869 55.708 54.840 -0.001 0.000 1.304 86 L CB -1.244 40.784 42.059 -0.051 0.000 1.841 86 L HN 0.886 nan 8.230 nan 0.000 0.901 87 P HA 0.095 nan 4.420 nan 0.000 0.266 87 P C 0.363 177.620 177.300 -0.072 0.000 1.186 87 P CA 0.832 63.936 63.100 0.006 0.000 0.767 87 P CB 0.194 31.908 31.700 0.024 0.000 0.820 88 N N -1.914 116.712 118.700 -0.123 0.000 2.735 88 N HA -0.150 4.590 4.740 0.001 0.000 0.248 88 N C -0.327 174.987 175.510 -0.326 0.000 1.083 88 N CA 1.789 54.563 53.050 -0.459 0.000 0.703 88 N CB -1.672 36.505 38.487 -0.517 0.000 1.005 88 N HN 0.760 nan 8.380 nan 0.000 0.550 89 T N -3.563 111.039 114.554 0.079 0.000 2.841 89 T HA 0.706 5.056 4.350 0.001 0.000 0.296 89 T C -0.943 173.955 174.700 0.331 0.000 1.166 89 T CA -0.965 61.244 62.100 0.181 0.000 1.007 89 T CB 2.078 70.911 68.868 -0.059 0.000 1.253 89 T HN 0.295 nan 8.240 nan 0.000 0.511 90 Y N -0.032 120.335 120.300 0.112 0.000 2.457 90 Y HA 0.823 5.374 4.550 0.001 0.000 0.343 90 Y C -0.830 174.939 175.900 -0.218 0.000 0.994 90 Y CA -1.241 56.869 58.100 0.017 0.000 1.031 90 Y CB 1.180 39.692 38.460 0.088 0.000 1.246 90 Y HN 0.836 nan 8.280 nan 0.000 0.449 91 N N 1.171 119.766 118.700 -0.175 0.000 2.477 91 N HA 0.772 5.512 4.740 0.001 0.000 0.284 91 N C -0.940 174.621 175.510 0.085 0.000 1.182 91 N CA 0.195 53.012 53.050 -0.387 0.000 0.949 91 N CB 1.895 40.205 38.487 -0.294 0.000 1.204 91 N HN 1.024 nan 8.380 nan 0.000 0.526 92 T N -1.637 113.087 114.554 0.283 0.000 2.816 92 T HA 0.598 4.948 4.350 0.001 0.000 0.299 92 T C -0.790 174.044 174.700 0.223 0.000 1.230 92 T CA -0.758 61.535 62.100 0.322 0.000 1.007 92 T CB 0.565 69.675 68.868 0.404 0.000 1.289 92 T HN 0.322 nan 8.240 nan 0.000 0.508 93 I N 1.625 122.269 120.570 0.123 0.000 2.595 93 I HA 0.397 4.568 4.170 0.001 0.000 0.276 93 I C -1.202 174.949 176.117 0.056 0.000 1.109 93 I CA -0.591 60.759 61.300 0.083 0.000 1.084 93 I CB 0.983 39.034 38.000 0.084 0.000 1.206 93 I HN 0.546 nan 8.210 nan 0.000 0.486 94 I N 4.252 124.770 120.570 -0.086 0.000 2.436 94 I HA 0.297 4.467 4.170 0.001 0.000 0.289 94 I C 0.665 176.700 176.117 -0.137 0.000 1.010 94 I CA -0.457 60.696 61.300 -0.246 0.000 1.098 94 I CB 2.244 39.847 38.000 -0.662 0.000 1.266 94 I HN 0.505 nan 8.210 nan 0.000 0.434 95 S N 5.668 121.352 115.700 -0.027 0.000 2.624 95 S HA 0.277 4.748 4.470 0.001 0.000 0.263 95 S C 1.177 175.721 174.600 -0.094 0.000 1.287 95 S CA -0.410 57.773 58.200 -0.028 0.000 0.990 95 S CB 1.324 64.569 63.200 0.075 0.000 0.950 95 S HN 0.755 nan 8.310 nan 0.000 0.561 96 R N -0.098 120.351 120.500 -0.086 0.000 2.127 96 R HA -0.009 4.332 4.340 0.001 0.000 0.238 96 R C 1.783 178.019 176.300 -0.108 0.000 1.134 96 R CA 1.650 57.687 56.100 -0.104 0.000 0.975 96 R CB -0.395 29.845 30.300 -0.099 0.000 0.865 96 R HN 0.777 nan 8.270 nan 0.000 0.447 97 M N -1.022 118.530 119.600 -0.080 0.000 2.561 97 M HA 0.130 4.610 4.480 0.001 0.000 0.238 97 M C 0.696 176.965 176.300 -0.051 0.000 1.131 97 M CA 0.762 56.020 55.300 -0.071 0.000 1.046 97 M CB 1.142 33.710 32.600 -0.054 0.000 1.532 97 M HN 0.458 nan 8.290 nan 0.000 0.497 98 G N 1.152 109.906 108.800 -0.076 0.000 2.130 98 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 98 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 98 G C -0.285 174.677 174.900 0.103 0.000 0.999 98 G CA -0.395 44.670 45.100 -0.058 0.000 0.686 98 G HN 0.503 nan 8.290 nan 0.000 0.515 99 Q N -0.630 119.224 119.800 0.090 0.000 2.296 99 Q HA 0.470 4.811 4.340 0.001 0.000 0.257 99 Q C -0.473 175.640 176.000 0.188 0.000 0.942 99 Q CA -0.643 55.239 55.803 0.133 0.000 0.939 99 Q CB 0.913 29.692 28.738 0.069 0.000 1.198 99 Q HN 0.362 nan 8.270 nan 0.000 0.429 100 W N 2.186 123.422 121.300 -0.107 0.000 2.322 100 W HA 0.213 4.874 4.660 0.001 0.000 0.307 100 W C 0.031 176.494 176.519 -0.094 0.000 1.220 100 W CA -0.227 57.107 57.345 -0.019 0.000 1.210 100 W CB 0.248 29.699 29.460 -0.015 0.000 1.223 100 W HN 0.717 nan 8.180 nan 0.000 0.511 101 Y N 1.052 121.477 120.300 0.209 0.000 2.526 101 Y HA 0.362 4.913 4.550 0.001 0.000 0.265 101 Y C 0.631 176.638 175.900 0.178 0.000 1.092 101 Y CA -0.260 57.950 58.100 0.182 0.000 1.277 101 Y CB 0.506 39.042 38.460 0.127 0.000 1.228 101 Y HN 0.279 nan 8.280 nan 0.000 0.507 102 M N 0.078 119.839 119.600 0.269 0.000 2.523 102 M HA 0.427 4.908 4.480 0.001 0.000 0.287 102 M C -2.557 173.775 176.300 0.052 0.000 1.160 102 M CA -0.333 55.004 55.300 0.061 0.000 0.902 102 M CB 1.851 34.443 32.600 -0.013 0.000 1.752 102 M HN -0.050 nan 8.290 nan 0.000 0.504 103 I N 3.062 123.603 120.570 -0.048 0.000 2.439 103 I HA 0.317 4.488 4.170 0.001 0.000 0.283 103 I C -1.314 174.746 176.117 -0.095 0.000 1.023 103 I CA -0.562 60.752 61.300 0.023 0.000 1.100 103 I CB 1.700 39.730 38.000 0.050 0.000 1.238 103 I HN 0.552 nan 8.210 nan 0.000 0.445 104 D N 7.821 128.200 120.400 -0.034 0.000 2.280 104 D HA 0.492 5.132 4.640 0.001 0.000 0.236 104 D C -0.654 175.656 176.300 0.016 0.000 1.082 104 D CA -0.169 53.778 54.000 -0.089 0.000 0.834 104 D CB 1.218 41.990 40.800 -0.047 0.000 1.100 104 D HN 0.322 nan 8.370 nan 0.000 0.486 105 I N 3.584 124.131 120.570 -0.039 0.000 2.355 105 I HA 0.248 4.418 4.170 0.001 0.000 0.288 105 I C -0.005 176.196 176.117 0.140 0.000 0.999 105 I CA -0.907 60.425 61.300 0.054 0.000 1.163 105 I CB 1.602 39.543 38.000 -0.099 0.000 1.316 105 I HN 0.274 nan 8.210 nan 0.000 0.454 106 C N 7.128 126.563 119.300 0.225 0.000 2.358 106 C HA 0.592 5.053 4.460 0.001 0.000 0.342 106 C C 0.714 175.831 174.990 0.212 0.000 1.234 106 C CA -0.319 58.800 59.018 0.168 0.000 1.969 106 C CB 0.538 28.321 27.740 0.073 0.000 2.346 106 C HN 0.847 nan 8.230 nan 0.000 0.525 107 L N 5.315 126.601 121.223 0.105 0.000 3.366 107 L HA 0.438 4.779 4.340 0.001 0.000 0.304 107 L C 0.987 177.875 176.870 0.030 0.000 1.292 107 L CA 0.713 55.611 54.840 0.095 0.000 1.012 107 L CB -0.233 41.892 42.059 0.109 0.000 1.414 107 L HN 1.179 nan 8.230 nan 0.000 0.603 108 G N -0.737 108.067 108.800 0.006 0.000 2.545 108 G HA2 -0.238 3.723 3.960 0.001 0.000 0.216 108 G HA3 -0.238 3.723 3.960 0.001 0.000 0.216 108 G C -1.115 173.779 174.900 -0.010 0.000 1.314 108 G CA -0.532 44.617 45.100 0.082 0.000 0.906 108 G HN -0.076 nan 8.290 nan 0.000 0.563 109 Y N 0.026 120.307 120.300 -0.032 0.000 2.686 109 Y HA 0.840 5.391 4.550 0.001 0.000 0.330 109 Y C 0.600 176.485 175.900 -0.025 0.000 1.082 109 Y CA -0.548 57.529 58.100 -0.037 0.000 1.158 109 Y CB 2.172 40.608 38.460 -0.041 0.000 1.333 109 Y HN 0.720 nan 8.280 nan 0.000 0.519 110 K N 0.071 120.569 120.400 0.163 0.000 2.690 110 K HA 0.458 4.779 4.320 0.001 0.000 0.264 110 K C -0.332 176.312 176.600 0.073 0.000 1.040 110 K CA 0.273 56.610 56.287 0.083 0.000 0.946 110 K CB 0.702 33.228 32.500 0.044 0.000 1.268 110 K HN 0.957 nan 8.250 nan 0.000 0.473 111 G N 4.203 113.037 108.800 0.057 0.000 2.246 111 G HA2 -0.308 3.652 3.960 0.001 0.000 0.273 111 G HA3 -0.308 3.652 3.960 0.001 0.000 0.273 111 G C 0.045 174.976 174.900 0.051 0.000 1.055 111 G CA 0.651 45.773 45.100 0.038 0.000 0.851 111 G HN 0.818 nan 8.290 nan 0.000 0.500 112 K N -2.518 117.924 120.400 0.071 0.000 3.391 112 K HA -0.248 4.073 4.320 0.001 0.000 0.307 112 K C 0.657 177.380 176.600 0.205 0.000 1.304 112 K CA 1.744 58.081 56.287 0.084 0.000 0.904 112 K CB -1.091 31.421 32.500 0.019 0.000 1.293 112 K HN 1.217 nan 8.250 nan 0.000 0.470 113 R N 0.649 121.284 120.500 0.226 0.000 2.532 113 R HA 0.353 4.693 4.340 0.001 0.000 0.297 113 R C -0.637 175.658 176.300 -0.007 0.000 0.984 113 R CA -1.220 54.950 56.100 0.117 0.000 0.884 113 R CB 1.288 31.608 30.300 0.034 0.000 1.182 113 R HN 0.047 nan 8.270 nan 0.000 0.442 114 K N 3.844 124.017 120.400 -0.377 0.000 2.295 114 K HA 0.245 4.566 4.320 0.001 0.000 0.270 114 K C -0.253 176.087 176.600 -0.435 0.000 1.011 114 K CA -0.573 55.209 56.287 -0.842 0.000 0.953 114 K CB 0.788 32.514 32.500 -1.291 0.000 0.956 114 K HN 0.455 nan 8.250 nan 0.000 0.477 115 I N 4.357 124.740 120.570 -0.311 0.000 2.306 115 I HA 0.207 4.378 4.170 0.001 0.000 0.288 115 I C 0.119 176.221 176.117 -0.025 0.000 1.036 115 I CA -0.336 60.889 61.300 -0.124 0.000 1.221 115 I CB -0.349 37.618 38.000 -0.054 0.000 1.385 115 I HN 0.935 nan 8.210 nan 0.000 0.472 116 H N 2.642 121.640 119.070 -0.120 0.000 2.933 116 H HA 0.624 5.181 4.556 0.001 0.000 0.310 116 H C -1.344 173.911 175.328 -0.123 0.000 1.351 116 H CA -0.830 55.153 56.048 -0.108 0.000 1.137 116 H CB 2.005 31.704 29.762 -0.105 0.000 1.853 116 H HN 0.239 nan 8.280 nan 0.000 0.539 117 T N 1.978 116.396 114.554 -0.227 0.000 2.949 117 T HA 0.336 4.686 4.350 0.001 0.000 0.300 117 T C -0.963 173.486 174.700 -0.419 0.000 0.988 117 T CA -0.637 61.260 62.100 -0.339 0.000 0.993 117 T CB 1.244 69.923 68.868 -0.314 0.000 0.984 117 T HN 0.429 nan 8.240 nan 0.000 0.442 118 V N 5.223 124.864 119.914 -0.455 0.000 2.472 118 V HA 0.567 4.688 4.120 0.001 0.000 0.290 118 V C -0.021 175.811 176.094 -0.436 0.000 1.037 118 V CA -0.844 61.167 62.300 -0.481 0.000 0.908 118 V CB 1.457 32.953 31.823 -0.544 0.000 0.985 118 V HN 0.765 nan 8.190 nan 0.000 0.454 119 I N 4.591 124.896 120.570 -0.441 0.000 2.441 119 I HA 0.548 4.718 4.170 0.001 0.000 0.295 119 I C -0.908 174.963 176.117 -0.410 0.000 0.994 119 I CA -0.502 60.648 61.300 -0.250 0.000 1.144 119 I CB 1.442 39.432 38.000 -0.017 0.000 1.314 119 I HN 0.515 nan 8.210 nan 0.000 0.445 120 Y N 2.119 122.341 120.300 -0.130 0.000 2.662 120 Y HA 0.395 4.946 4.550 0.001 0.000 0.335 120 Y C -0.325 175.608 175.900 0.055 0.000 1.066 120 Y CA -0.946 57.092 58.100 -0.103 0.000 1.116 120 Y CB 1.188 39.437 38.460 -0.351 0.000 1.308 120 Y HN 0.391 nan 8.280 nan 0.000 0.502 121 D N -0.264 120.323 120.400 0.311 0.000 2.329 121 D HA 0.188 4.829 4.640 0.001 0.000 0.232 121 D C 0.579 177.056 176.300 0.295 0.000 1.088 121 D CA -0.190 53.950 54.000 0.234 0.000 0.835 121 D CB 1.363 42.219 40.800 0.093 0.000 1.078 121 D HN 0.545 nan 8.370 nan 0.000 0.495 122 S N 3.245 119.169 115.700 0.373 0.000 2.447 122 S HA -0.170 4.300 4.470 0.001 0.000 0.233 122 S C 1.814 176.558 174.600 0.241 0.000 1.006 122 S CA 0.052 58.500 58.200 0.414 0.000 0.957 122 S CB -0.160 63.320 63.200 0.465 0.000 0.773 122 S HN 0.476 nan 8.310 nan 0.000 0.507 123 L N 1.017 122.212 121.223 -0.046 0.000 2.450 123 L HA 0.139 4.480 4.340 0.001 0.000 0.224 123 L C 1.824 178.633 176.870 -0.101 0.000 1.149 123 L CA 1.376 56.048 54.840 -0.279 0.000 0.816 123 L CB -0.455 41.328 42.059 -0.460 0.000 0.932 123 L HN 0.093 nan 8.230 nan 0.000 0.449 124 K N -0.691 119.705 120.400 -0.008 0.000 2.323 124 K HA 0.062 4.383 4.320 0.001 0.000 0.197 124 K C 1.755 178.389 176.600 0.057 0.000 1.043 124 K CA 0.582 56.869 56.287 0.001 0.000 0.997 124 K CB 0.206 32.724 32.500 0.029 0.000 0.807 124 K HN 0.380 nan 8.250 nan 0.000 0.497 125 K N 0.161 120.629 120.400 0.113 0.000 2.276 125 K HA 0.211 4.532 4.320 0.001 0.000 0.198 125 K C 0.340 177.024 176.600 0.140 0.000 1.052 125 K CA 0.354 56.712 56.287 0.119 0.000 0.984 125 K CB 0.556 33.145 32.500 0.149 0.000 0.836 125 K HN -0.038 nan 8.250 nan 0.000 0.490 126 L N 2.854 124.180 121.223 0.172 0.000 2.462 126 L HA 0.264 4.604 4.340 0.001 0.000 0.255 126 L C -2.342 174.603 176.870 0.126 0.000 1.076 126 L CA -1.503 53.501 54.840 0.274 0.000 0.920 126 L CB 1.745 43.976 42.059 0.286 0.000 1.214 126 L HN -0.166 nan 8.230 nan 0.000 0.472 127 P HA 0.080 nan 4.420 nan 0.000 0.249 127 P C -0.852 175.965 177.300 -0.805 0.000 1.686 127 P CA 0.406 63.186 63.100 -0.532 0.000 0.873 127 P CB -0.522 30.865 31.700 -0.522 0.000 1.828 128 F N -1.103 118.923 119.950 0.126 0.000 2.664 128 F HA 0.577 5.104 4.527 0.001 0.000 0.317 128 F C -2.432 173.475 175.800 0.179 0.000 1.108 128 F CA -3.217 54.851 58.000 0.114 0.000 0.957 128 F CB 0.061 39.122 39.000 0.103 0.000 1.365 128 F HN -0.299 nan 8.300 nan 0.000 0.475 129 P HA 0.160 nan 4.420 nan 0.000 0.272 129 P C 0.778 178.167 177.300 0.147 0.000 1.230 129 P CA -0.257 62.973 63.100 0.217 0.000 0.788 129 P CB 0.797 32.571 31.700 0.123 0.000 0.949 130 V N 1.142 121.088 119.914 0.053 0.000 2.287 130 V HA -0.269 3.852 4.120 0.001 0.000 0.248 130 V C 2.141 178.192 176.094 -0.072 0.000 1.053 130 V CA 1.805 64.039 62.300 -0.110 0.000 1.027 130 V CB -1.062 30.690 31.823 -0.118 0.000 0.646 130 V HN 0.549 nan 8.190 nan 0.000 0.447 131 K N 0.702 121.091 120.400 -0.019 0.000 1.991 131 K HA -0.218 4.103 4.320 0.001 0.000 0.212 131 K C 2.113 178.704 176.600 -0.014 0.000 1.049 131 K CA 1.833 58.112 56.287 -0.014 0.000 0.932 131 K CB -0.651 31.853 32.500 0.006 0.000 0.717 131 K HN 0.480 nan 8.250 nan 0.000 0.441 132 K N 0.921 121.329 120.400 0.013 0.000 2.020 132 K HA -0.135 4.186 4.320 0.001 0.000 0.212 132 K C 2.250 178.823 176.600 -0.045 0.000 1.050 132 K CA 1.554 57.845 56.287 0.007 0.000 0.929 132 K CB -0.253 32.287 32.500 0.067 0.000 0.714 132 K HN 0.046 nan 8.250 nan 0.000 0.443 133 I N 0.849 121.372 120.570 -0.078 0.000 2.315 133 I HA -0.305 3.865 4.170 0.001 0.000 0.251 133 I C 2.442 178.451 176.117 -0.180 0.000 1.125 133 I CA 1.221 62.386 61.300 -0.225 0.000 1.392 133 I CB -0.346 37.435 38.000 -0.365 0.000 1.065 133 I HN 0.323 nan 8.210 nan 0.000 0.424 134 A N 0.743 123.493 122.820 -0.117 0.000 1.873 134 A HA -0.244 4.077 4.320 0.001 0.000 0.215 134 A C 2.406 179.992 177.584 0.003 0.000 1.186 134 A CA 1.878 53.875 52.037 -0.067 0.000 0.616 134 A CB -0.465 18.497 19.000 -0.062 0.000 0.823 134 A HN 0.387 nan 8.150 nan 0.000 0.442 135 K N -0.410 119.992 120.400 0.003 0.000 1.984 135 K HA -0.196 4.124 4.320 0.001 0.000 0.209 135 K C 1.314 177.935 176.600 0.036 0.000 1.046 135 K CA 1.778 58.073 56.287 0.014 0.000 0.934 135 K CB -0.319 32.182 32.500 0.001 0.000 0.717 135 K HN 0.298 nan 8.250 nan 0.000 0.438 136 D N -0.014 120.415 120.400 0.050 0.000 2.178 136 D HA -0.139 4.501 4.640 0.001 0.000 0.201 136 D C 1.360 177.728 176.300 0.114 0.000 0.980 136 D CA 1.045 55.074 54.000 0.049 0.000 0.842 136 D CB -0.111 40.683 40.800 -0.011 0.000 0.948 136 D HN 0.240 nan 8.370 nan 0.000 0.472 137 F N 0.585 120.478 119.950 -0.095 0.000 2.765 137 F HA 0.168 4.696 4.527 0.001 0.000 0.302 137 F C 0.622 176.396 175.800 -0.044 0.000 1.111 137 F CA -0.151 57.811 58.000 -0.064 0.000 1.359 137 F CB 0.050 39.017 39.000 -0.056 0.000 1.097 137 F HN -0.302 nan 8.300 nan 0.000 0.577 138 K N 0.971 121.444 120.400 0.121 0.000 3.162 138 K HA -0.175 4.146 4.320 0.001 0.000 0.268 138 K C -0.793 175.841 176.600 0.057 0.000 1.062 138 K CA 0.361 56.683 56.287 0.059 0.000 0.769 138 K CB -2.141 30.379 32.500 0.033 0.000 1.274 138 K HN 0.311 nan 8.250 nan 0.000 0.478 139 L N 0.865 122.116 121.223 0.048 0.000 2.329 139 L HA 0.266 4.607 4.340 0.001 0.000 0.279 139 L C 0.806 177.669 176.870 -0.011 0.000 1.014 139 L CA -0.833 54.015 54.840 0.015 0.000 0.814 139 L CB 1.733 43.785 42.059 -0.011 0.000 1.257 139 L HN -0.011 nan 8.230 nan 0.000 0.424 140 T N 2.377 116.920 114.554 -0.019 0.000 2.831 140 T HA 0.132 4.482 4.350 0.001 0.000 0.291 140 T C -0.160 174.514 174.700 -0.043 0.000 0.981 140 T CA 0.133 62.215 62.100 -0.029 0.000 1.174 140 T CB 0.865 69.712 68.868 -0.035 0.000 0.929 140 T HN 0.305 nan 8.240 nan 0.000 0.532 141 V N 6.102 125.996 119.914 -0.033 0.000 2.588 141 V HA 0.470 4.591 4.120 0.001 0.000 0.304 141 V C -0.283 175.801 176.094 -0.017 0.000 1.042 141 V CA -1.116 61.166 62.300 -0.029 0.000 0.877 141 V CB 1.611 33.424 31.823 -0.017 0.000 0.996 141 V HN 0.829 nan 8.190 nan 0.000 0.425 142 L N 6.324 127.536 121.223 -0.019 0.000 2.455 142 L HA 0.304 4.644 4.340 0.001 0.000 0.272 142 L C 0.022 176.962 176.870 0.117 0.000 1.174 142 L CA -0.416 54.415 54.840 -0.015 0.000 0.869 142 L CB 0.782 42.726 42.059 -0.191 0.000 1.130 142 L HN 0.660 nan 8.230 nan 0.000 0.474 143 K N 3.435 123.888 120.400 0.089 0.000 2.416 143 K HA 0.517 4.838 4.320 0.001 0.000 0.283 143 K C 0.476 177.180 176.600 0.174 0.000 1.037 143 K CA 0.352 56.698 56.287 0.098 0.000 0.995 143 K CB 0.199 32.731 32.500 0.053 0.000 0.938 143 K HN 0.773 nan 8.250 nan 0.000 0.475 144 G N 1.275 110.127 108.800 0.086 0.000 2.698 144 G HA2 -0.082 3.879 3.960 0.001 0.000 0.225 144 G HA3 -0.082 3.879 3.960 0.001 0.000 0.225 144 G C -1.286 173.479 174.900 -0.225 0.000 1.345 144 G CA -0.290 44.798 45.100 -0.020 0.000 0.871 144 G HN 0.729 nan 8.290 nan 0.000 0.540 145 D N -1.439 118.646 120.400 -0.526 0.000 2.653 145 D HA 0.419 5.060 4.640 0.001 0.000 0.258 145 D C 0.541 176.306 176.300 -0.892 0.000 1.252 145 D CA -0.521 52.934 54.000 -0.909 0.000 0.777 145 D CB 1.887 42.357 40.800 -0.550 0.000 1.339 145 D HN 0.631 nan 8.370 nan 0.000 0.422 146 I N 1.252 121.253 120.570 -0.948 0.000 2.993 146 I HA -0.155 4.016 4.170 0.001 0.000 0.301 146 I C 0.889 176.649 176.117 -0.595 0.000 1.229 146 I CA 0.561 61.502 61.300 -0.598 0.000 1.435 146 I CB 0.187 37.975 38.000 -0.353 0.000 1.328 146 I HN 0.255 nan 8.210 nan 0.000 0.584 147 D N 5.803 126.008 120.400 -0.326 0.000 2.489 147 D HA -0.019 4.622 4.640 0.001 0.000 0.237 147 D C 0.972 177.142 176.300 -0.217 0.000 1.212 147 D CA 0.296 54.138 54.000 -0.263 0.000 1.058 147 D CB -0.156 40.570 40.800 -0.124 0.000 1.098 147 D HN 0.380 nan 8.370 nan 0.000 0.509 148 Y N 1.395 121.564 120.300 -0.217 0.000 2.271 148 Y HA -0.290 4.261 4.550 0.001 0.000 0.284 148 Y C 0.885 176.726 175.900 -0.099 0.000 1.189 148 Y CA 1.045 59.062 58.100 -0.140 0.000 1.229 148 Y CB -0.046 38.312 38.460 -0.171 0.000 0.973 148 Y HN 0.538 nan 8.280 nan 0.000 0.537 149 H N -1.263 117.869 119.070 0.104 0.000 2.360 149 H HA 0.452 5.009 4.556 0.001 0.000 0.233 149 H C -0.758 174.544 175.328 -0.044 0.000 1.473 149 H CA -1.231 54.834 56.048 0.028 0.000 1.352 149 H CB -0.001 29.782 29.762 0.035 0.000 1.493 149 H HN -0.011 nan 8.280 nan 0.000 0.533 150 K N 1.425 121.832 120.400 0.011 0.000 2.316 150 K HA 0.287 4.608 4.320 0.001 0.000 0.251 150 K C -0.693 175.785 176.600 -0.203 0.000 0.934 150 K CA -0.748 55.486 56.287 -0.088 0.000 0.802 150 K CB 1.846 34.254 32.500 -0.153 0.000 1.171 150 K HN 0.475 nan 8.250 nan 0.000 0.426 151 E N 3.042 123.143 120.200 -0.165 0.000 2.415 151 E HA -0.006 4.345 4.350 0.001 0.000 0.260 151 E C -0.647 175.741 176.600 -0.352 0.000 1.016 151 E CA 0.483 56.771 56.400 -0.187 0.000 0.924 151 E CB 0.586 30.229 29.700 -0.096 0.000 0.961 151 E HN 0.272 nan 8.360 nan 0.000 0.459 152 R N 4.716 124.964 120.500 -0.420 0.000 2.547 152 R HA 0.240 4.580 4.340 0.001 0.000 0.280 152 R C -2.296 173.862 176.300 -0.237 0.000 1.630 152 R CA -1.527 54.193 56.100 -0.634 0.000 1.470 152 R CB 1.061 30.642 30.300 -1.198 0.000 1.178 152 R HN 0.439 nan 8.270 nan 0.000 0.591 153 P HA 0.088 nan 4.420 nan 0.000 0.274 153 P C 0.240 177.592 177.300 0.087 0.000 1.256 153 P CA -0.419 62.694 63.100 0.023 0.000 0.795 153 P CB 0.949 32.672 31.700 0.038 0.000 1.038 154 V N 0.647 120.612 119.914 0.085 0.000 2.617 154 V HA 0.261 4.381 4.120 0.001 0.000 0.304 154 V C 1.735 177.897 176.094 0.113 0.000 1.040 154 V CA 2.038 64.403 62.300 0.107 0.000 1.149 154 V CB -0.373 31.502 31.823 0.087 0.000 0.914 154 V HN 1.121 nan 8.190 nan 0.000 0.487 155 G N 3.876 112.756 108.800 0.134 0.000 2.195 155 G HA2 -0.285 3.676 3.960 0.001 0.000 0.224 155 G HA3 -0.285 3.676 3.960 0.001 0.000 0.224 155 G C 0.070 175.043 174.900 0.121 0.000 0.990 155 G CA 0.084 45.249 45.100 0.108 0.000 0.639 155 G HN 0.911 nan 8.290 nan 0.000 0.514 156 Y N 2.432 122.753 120.300 0.036 0.000 2.810 156 Y HA 0.383 4.934 4.550 0.001 0.000 0.332 156 Y C 0.786 176.715 175.900 0.048 0.000 1.243 156 Y CA 0.663 58.770 58.100 0.012 0.000 1.537 156 Y CB 0.618 39.055 38.460 -0.039 0.000 1.265 156 Y HN 0.108 nan 8.280 nan 0.000 0.572 157 K N 8.230 128.187 120.400 -0.740 0.000 2.240 157 K HA 0.291 4.611 4.320 0.001 0.000 0.271 157 K C -0.865 175.326 176.600 -0.681 0.000 1.018 157 K CA -0.552 55.437 56.287 -0.498 0.000 0.874 157 K CB 0.361 32.668 32.500 -0.322 0.000 1.098 157 K HN 0.786 nan 8.250 nan 0.000 0.458 158 I N 4.512 124.990 120.570 -0.154 0.000 2.581 158 I HA -0.084 4.086 4.170 0.001 0.000 0.285 158 I C 1.252 177.396 176.117 0.045 0.000 1.129 158 I CA 0.155 61.530 61.300 0.125 0.000 1.397 158 I CB 0.382 38.564 38.000 0.302 0.000 1.399 158 I HN 0.605 nan 8.210 nan 0.000 0.537 159 T N 3.718 118.310 114.554 0.063 0.000 2.860 159 T HA 0.176 4.527 4.350 0.001 0.000 0.299 159 T C -1.700 173.058 174.700 0.098 0.000 1.045 159 T CA -1.523 60.600 62.100 0.039 0.000 1.071 159 T CB 1.127 70.029 68.868 0.057 0.000 0.985 159 T HN 0.321 nan 8.240 nan 0.000 0.537 160 P HA -0.111 nan 4.420 nan 0.000 0.216 160 P C 1.464 178.817 177.300 0.088 0.000 1.150 160 P CA 1.131 64.234 63.100 0.006 0.000 0.843 160 P CB 0.112 31.776 31.700 -0.060 0.000 0.787 161 E N 0.155 120.413 120.200 0.096 0.000 2.015 161 E HA -0.224 4.127 4.350 0.001 0.000 0.191 161 E C 1.826 178.569 176.600 0.237 0.000 0.991 161 E CA 1.233 57.706 56.400 0.122 0.000 0.802 161 E CB -0.307 29.484 29.700 0.152 0.000 0.759 161 E HN 0.240 nan 8.360 nan 0.000 0.447 162 E N -0.372 120.010 120.200 0.304 0.000 2.097 162 E HA -0.251 4.099 4.350 0.001 0.000 0.196 162 E C 1.930 178.709 176.600 0.298 0.000 1.000 162 E CA 1.382 58.007 56.400 0.376 0.000 0.804 162 E CB -0.355 29.592 29.700 0.412 0.000 0.740 162 E HN 0.417 nan 8.360 nan 0.000 0.454 163 Y N 0.894 121.260 120.300 0.110 0.000 2.256 163 Y HA -0.267 4.284 4.550 0.001 0.000 0.288 163 Y C 2.196 178.077 175.900 -0.032 0.000 1.155 163 Y CA 1.447 59.562 58.100 0.026 0.000 1.203 163 Y CB -0.050 38.410 38.460 0.000 0.000 0.980 163 Y HN 0.023 nan 8.280 nan 0.000 0.530 164 A N -1.360 121.537 122.820 0.128 0.000 2.021 164 A HA -0.086 4.234 4.320 0.001 0.000 0.216 164 A C 1.786 179.242 177.584 -0.214 0.000 1.163 164 A CA 0.925 52.920 52.037 -0.071 0.000 0.676 164 A CB -1.036 17.871 19.000 -0.156 0.000 0.818 164 A HN 0.648 nan 8.150 nan 0.000 0.453 165 Y N -0.089 120.182 120.300 -0.048 0.000 2.263 165 Y HA -0.089 4.462 4.550 0.001 0.000 0.292 165 Y C 2.154 177.976 175.900 -0.130 0.000 1.130 165 Y CA 1.312 59.364 58.100 -0.078 0.000 1.179 165 Y CB -0.173 38.253 38.460 -0.057 0.000 0.998 165 Y HN 0.221 nan 8.280 nan 0.000 0.532 166 I N 0.020 120.572 120.570 -0.030 0.000 2.202 166 I HA -0.297 3.874 4.170 0.001 0.000 0.242 166 I C 2.481 178.452 176.117 -0.242 0.000 1.091 166 I CA 1.412 62.615 61.300 -0.162 0.000 1.368 166 I CB -0.340 37.501 38.000 -0.265 0.000 1.058 166 I HN 0.100 nan 8.210 nan 0.000 0.410 167 K N 1.260 121.467 120.400 -0.321 0.000 2.063 167 K HA -0.258 4.063 4.320 0.001 0.000 0.208 167 K C 1.980 178.403 176.600 -0.295 0.000 1.048 167 K CA 1.878 57.943 56.287 -0.371 0.000 0.928 167 K CB -0.240 32.018 32.500 -0.402 0.000 0.713 167 K HN 0.335 nan 8.250 nan 0.000 0.442 168 N N 0.181 118.750 118.700 -0.220 0.000 2.058 168 N HA -0.180 4.560 4.740 0.001 0.000 0.191 168 N C 1.266 176.681 175.510 -0.158 0.000 1.037 168 N CA 1.512 54.456 53.050 -0.177 0.000 0.848 168 N CB -0.046 38.358 38.487 -0.137 0.000 1.021 168 N HN 0.208 nan 8.380 nan 0.000 0.422 169 D N 1.230 121.557 120.400 -0.121 0.000 2.116 169 D HA -0.171 4.469 4.640 0.001 0.000 0.193 169 D C 2.015 178.208 176.300 -0.178 0.000 0.998 169 D CA 1.328 55.256 54.000 -0.121 0.000 0.836 169 D CB -0.290 40.462 40.800 -0.080 0.000 0.951 169 D HN 0.605 nan 8.370 nan 0.000 0.449 170 I N -1.239 119.208 120.570 -0.206 0.000 2.676 170 I HA -0.101 4.070 4.170 0.001 0.000 0.259 170 I C 2.294 178.249 176.117 -0.270 0.000 1.194 170 I CA 0.898 62.061 61.300 -0.229 0.000 1.473 170 I CB -0.310 37.552 38.000 -0.231 0.000 1.096 170 I HN -0.103 nan 8.210 nan 0.000 0.443 171 Q N 1.708 121.335 119.800 -0.288 0.000 2.096 171 Q HA -0.062 4.279 4.340 0.001 0.000 0.197 171 Q C 2.360 178.195 176.000 -0.276 0.000 0.964 171 Q CA 1.341 56.942 55.803 -0.337 0.000 0.838 171 Q CB 0.036 28.594 28.738 -0.300 0.000 0.906 171 Q HN 0.623 nan 8.270 nan 0.000 0.444 172 I N 0.788 121.226 120.570 -0.221 0.000 2.208 172 I HA -0.302 3.868 4.170 0.001 0.000 0.245 172 I C 1.958 177.925 176.117 -0.251 0.000 1.097 172 I CA 0.806 61.983 61.300 -0.204 0.000 1.363 172 I CB -0.237 37.647 38.000 -0.192 0.000 1.051 172 I HN 0.324 nan 8.210 nan 0.000 0.413 173 I N 0.854 121.260 120.570 -0.274 0.000 2.353 173 I HA -0.180 3.990 4.170 0.001 0.000 0.248 173 I C 2.846 178.823 176.117 -0.233 0.000 1.119 173 I CA 1.415 62.546 61.300 -0.282 0.000 1.417 173 I CB -1.550 36.289 38.000 -0.268 0.000 1.078 173 I HN 0.152 nan 8.210 nan 0.000 0.421 174 A N 0.699 123.358 122.820 -0.268 0.000 1.933 174 A HA -0.204 4.117 4.320 0.001 0.000 0.218 174 A C 2.233 179.733 177.584 -0.141 0.000 1.175 174 A CA 1.557 53.410 52.037 -0.305 0.000 0.628 174 A CB -0.527 18.107 19.000 -0.610 0.000 0.814 174 A HN 0.493 nan 8.150 nan 0.000 0.444 175 E N -0.241 119.909 120.200 -0.083 0.000 2.072 175 E HA -0.033 4.317 4.350 0.001 0.000 0.190 175 E C 2.374 179.010 176.600 0.060 0.000 0.982 175 E CA 0.806 57.276 56.400 0.118 0.000 0.803 175 E CB -0.299 29.451 29.700 0.083 0.000 0.755 175 E HN 0.603 nan 8.360 nan 0.000 0.453 176 A N 1.635 124.418 122.820 -0.060 0.000 1.858 176 A HA -0.177 4.143 4.320 0.001 0.000 0.216 176 A C 2.251 179.875 177.584 0.067 0.000 1.190 176 A CA 1.160 53.155 52.037 -0.070 0.000 0.617 176 A CB -0.825 17.913 19.000 -0.437 0.000 0.827 176 A HN 0.125 nan 8.150 nan 0.000 0.443 177 L N -1.099 120.124 121.223 -0.001 0.000 2.042 177 L HA -0.207 4.133 4.340 0.001 0.000 0.210 177 L C 2.609 179.595 176.870 0.193 0.000 1.076 177 L CA 1.334 56.223 54.840 0.082 0.000 0.749 177 L CB -0.609 41.360 42.059 -0.149 0.000 0.893 177 L HN 0.483 nan 8.230 nan 0.000 0.432 178 L N 0.248 121.518 121.223 0.079 0.000 1.989 178 L HA -0.229 4.112 4.340 0.001 0.000 0.211 178 L C 2.368 179.341 176.870 0.171 0.000 1.071 178 L CA 1.799 56.696 54.840 0.095 0.000 0.749 178 L CB -0.423 41.685 42.059 0.082 0.000 0.890 178 L HN 0.074 nan 8.230 nan 0.000 0.431 179 I N -0.781 119.889 120.570 0.166 0.000 2.194 179 I HA -0.377 3.794 4.170 0.001 0.000 0.246 179 I C 2.634 178.867 176.117 0.193 0.000 1.093 179 I CA 1.794 63.196 61.300 0.170 0.000 1.355 179 I CB -0.357 37.765 38.000 0.204 0.000 1.046 179 I HN 0.511 nan 8.210 nan 0.000 0.413 180 Q N 0.514 120.456 119.800 0.236 0.000 2.050 180 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 180 Q C 2.207 178.292 176.000 0.142 0.000 0.980 180 Q CA 1.919 57.837 55.803 0.190 0.000 0.840 180 Q CB -0.073 28.784 28.738 0.199 0.000 0.898 180 Q HN 0.371 nan 8.270 nan 0.000 0.424 181 F N 0.674 120.646 119.950 0.036 0.000 2.234 181 F HA -0.057 4.470 4.527 0.001 0.000 0.299 181 F C 2.044 177.868 175.800 0.041 0.000 1.087 181 F CA 1.044 59.061 58.000 0.027 0.000 1.340 181 F CB 0.044 39.044 39.000 -0.000 0.000 1.031 181 F HN -0.013 nan 8.300 nan 0.000 0.500 182 K N -0.369 120.162 120.400 0.218 0.000 2.439 182 K HA -0.079 4.242 4.320 0.001 0.000 0.197 182 K C 1.255 177.923 176.600 0.112 0.000 1.041 182 K CA 0.532 56.901 56.287 0.138 0.000 0.970 182 K CB 0.001 32.563 32.500 0.104 0.000 0.773 182 K HN 0.173 nan 8.250 nan 0.000 0.479 183 Q N -0.612 119.260 119.800 0.119 0.000 2.246 183 Q HA 0.106 4.447 4.340 0.001 0.000 0.202 183 Q C 0.830 176.905 176.000 0.125 0.000 0.883 183 Q CA 0.382 56.263 55.803 0.129 0.000 0.952 183 Q CB 1.234 30.069 28.738 0.162 0.000 1.078 183 Q HN 0.476 nan 8.270 nan 0.000 0.493 184 G N 0.842 109.689 108.800 0.078 0.000 2.184 184 G HA2 -0.267 3.693 3.960 0.001 0.000 0.264 184 G HA3 -0.267 3.693 3.960 0.001 0.000 0.264 184 G C 0.017 174.906 174.900 -0.019 0.000 0.975 184 G CA -0.025 45.105 45.100 0.050 0.000 0.642 184 G HN 0.301 nan 8.290 nan 0.000 0.536 185 L N 2.622 123.799 121.223 -0.076 0.000 2.399 185 L HA 0.397 4.738 4.340 0.001 0.000 0.257 185 L C 0.213 176.800 176.870 -0.471 0.000 1.236 185 L CA 0.038 54.775 54.840 -0.173 0.000 1.144 185 L CB 0.674 42.662 42.059 -0.118 0.000 1.379 185 L HN 0.336 nan 8.230 nan 0.000 0.414 186 D N 0.019 120.160 120.400 -0.431 0.000 3.133 186 D HA 0.247 4.887 4.640 0.001 0.000 0.288 186 D C 0.413 176.511 176.300 -0.337 0.000 1.346 186 D CA -0.431 53.174 54.000 -0.657 0.000 0.934 186 D CB 0.367 40.992 40.800 -0.292 0.000 1.042 186 D HN -0.026 nan 8.370 nan 0.000 0.506 187 R N -0.007 120.315 120.500 -0.297 0.000 2.923 187 R HA 0.427 4.768 4.340 0.001 0.000 0.252 187 R C 0.945 177.198 176.300 -0.079 0.000 1.130 187 R CA -0.862 55.160 56.100 -0.129 0.000 1.043 187 R CB 0.931 31.179 30.300 -0.086 0.000 1.205 187 R HN 0.237 nan 8.270 nan 0.000 0.495 188 M N 0.166 119.745 119.600 -0.035 0.000 2.349 188 M HA -0.031 4.449 4.480 0.001 0.000 0.266 188 M C 0.265 176.618 176.300 0.088 0.000 1.076 188 M CA 1.362 56.660 55.300 -0.004 0.000 1.126 188 M CB 0.362 32.982 32.600 0.033 0.000 1.392 188 M HN 0.630 nan 8.290 nan 0.000 0.440 189 T N -3.411 111.181 114.554 0.062 0.000 2.906 189 T HA 0.691 5.041 4.350 0.001 0.000 0.295 189 T C 0.620 175.336 174.700 0.026 0.000 1.075 189 T CA -0.435 61.711 62.100 0.076 0.000 1.005 189 T CB 1.707 70.640 68.868 0.108 0.000 1.136 189 T HN 0.126 nan 8.240 nan 0.000 0.498 190 A N 1.580 124.418 122.820 0.029 0.000 1.972 190 A HA 0.224 4.545 4.320 0.001 0.000 0.219 190 A C 2.315 179.895 177.584 -0.007 0.000 1.169 190 A CA 1.905 53.949 52.037 0.011 0.000 0.635 190 A CB -1.529 17.485 19.000 0.025 0.000 0.810 190 A HN 1.207 nan 8.150 nan 0.000 0.446 191 G N -0.678 108.118 108.800 -0.007 0.000 2.418 191 G HA2 -0.144 3.817 3.960 0.001 0.000 0.217 191 G HA3 -0.144 3.817 3.960 0.001 0.000 0.217 191 G C 1.742 176.609 174.900 -0.055 0.000 1.158 191 G CA 1.280 46.358 45.100 -0.037 0.000 0.771 191 G HN 0.504 nan 8.290 nan 0.000 0.545 192 S N 0.580 116.255 115.700 -0.041 0.000 2.453 192 S HA -0.021 4.449 4.470 0.001 0.000 0.231 192 S C 1.817 176.391 174.600 -0.044 0.000 1.005 192 S CA 0.837 59.005 58.200 -0.052 0.000 0.949 192 S CB -0.088 63.089 63.200 -0.038 0.000 0.774 192 S HN 0.308 nan 8.310 nan 0.000 0.510 193 D N 1.476 121.853 120.400 -0.039 0.000 2.144 193 D HA 0.017 4.658 4.640 0.001 0.000 0.200 193 D C 2.010 178.309 176.300 -0.002 0.000 0.978 193 D CA 0.797 54.772 54.000 -0.041 0.000 0.833 193 D CB -0.171 40.589 40.800 -0.065 0.000 0.961 193 D HN 0.249 nan 8.370 nan 0.000 0.470 194 S N 0.572 116.273 115.700 0.001 0.000 2.355 194 S HA -0.100 4.371 4.470 0.001 0.000 0.222 194 S C 1.865 176.510 174.600 0.075 0.000 1.031 194 S CA 0.242 58.483 58.200 0.068 0.000 0.993 194 S CB -0.164 63.058 63.200 0.038 0.000 0.859 194 S HN 0.123 nan 8.310 nan 0.000 0.453 195 L N 2.279 123.497 121.223 -0.008 0.000 2.079 195 L HA -0.064 4.277 4.340 0.001 0.000 0.210 195 L C 2.201 179.096 176.870 0.040 0.000 1.081 195 L CA 1.767 56.607 54.840 -0.001 0.000 0.752 195 L CB -0.531 41.464 42.059 -0.107 0.000 0.896 195 L HN 0.200 nan 8.230 nan 0.000 0.433 196 K N -1.082 119.329 120.400 0.018 0.000 2.026 196 K HA -0.130 4.191 4.320 0.001 0.000 0.208 196 K C 1.990 178.661 176.600 0.118 0.000 1.048 196 K CA 1.403 57.699 56.287 0.014 0.000 0.929 196 K CB -0.594 31.908 32.500 0.003 0.000 0.713 196 K HN 0.425 nan 8.250 nan 0.000 0.439 197 G N 0.446 109.387 108.800 0.236 0.000 2.432 197 G HA2 -0.263 3.697 3.960 0.001 0.000 0.219 197 G HA3 -0.263 3.697 3.960 0.001 0.000 0.219 197 G C 1.295 176.530 174.900 0.559 0.000 1.135 197 G CA 0.573 45.933 45.100 0.433 0.000 0.767 197 G HN 0.400 nan 8.290 nan 0.000 0.550 198 F N 1.227 121.348 119.950 0.285 0.000 2.128 198 F HA 0.154 4.681 4.527 0.001 0.000 0.295 198 F C 2.485 178.397 175.800 0.186 0.000 1.100 198 F CA 1.678 59.790 58.000 0.187 0.000 1.260 198 F CB -0.152 38.801 39.000 -0.078 0.000 1.009 198 F HN 0.087 nan 8.300 nan 0.000 0.476 199 K N 0.063 120.464 120.400 0.001 0.000 2.147 199 K HA -0.174 4.146 4.320 0.001 0.000 0.205 199 K C 1.475 177.999 176.600 -0.128 0.000 1.049 199 K CA 1.688 57.844 56.287 -0.217 0.000 0.936 199 K CB -0.271 31.974 32.500 -0.425 0.000 0.722 199 K HN 0.237 nan 8.250 nan 0.000 0.446 200 D N 0.471 120.861 120.400 -0.018 0.000 2.312 200 D HA -0.088 4.553 4.640 0.001 0.000 0.211 200 D C 1.673 177.982 176.300 0.015 0.000 0.964 200 D CA 0.828 54.838 54.000 0.016 0.000 0.877 200 D CB 0.158 41.007 40.800 0.082 0.000 0.924 200 D HN 0.342 nan 8.370 nan 0.000 0.515 201 I N 0.608 121.184 120.570 0.010 0.000 2.867 201 I HA -0.021 4.150 4.170 0.001 0.000 0.265 201 I C 2.057 178.117 176.117 -0.096 0.000 1.162 201 I CA 0.519 61.822 61.300 0.006 0.000 1.471 201 I CB 0.235 38.314 38.000 0.131 0.000 1.123 201 I HN -0.041 nan 8.210 nan 0.000 0.440 202 I N -2.589 117.854 120.570 -0.212 0.000 4.082 202 I HA 0.335 4.505 4.170 0.001 0.000 0.337 202 I C -0.432 175.609 176.117 -0.127 0.000 1.352 202 I CA -0.060 61.115 61.300 -0.209 0.000 1.097 202 I CB 0.347 38.135 38.000 -0.352 0.000 1.048 202 I HN 0.006 nan 8.210 nan 0.000 0.393 203 T N 0.174 114.672 114.554 -0.093 0.000 0.541 203 T HA -0.154 4.197 4.350 0.001 0.000 0.774 203 T C 0.617 175.312 174.700 -0.010 0.000 0.992 203 T CA 0.432 62.503 62.100 -0.049 0.000 4.077 203 T CB -0.876 67.966 68.868 -0.044 0.000 2.303 203 T HN 0.380 nan 8.240 nan 0.000 0.398 204 T N 0.972 115.520 114.554 -0.011 0.000 3.085 204 T HA 0.003 4.354 4.350 0.001 0.000 0.263 204 T C 1.903 176.652 174.700 0.082 0.000 1.127 204 T CA 1.354 63.468 62.100 0.023 0.000 1.103 204 T CB -0.029 68.829 68.868 -0.017 0.000 0.921 204 T HN 0.609 nan 8.240 nan 0.000 0.510 205 K N 1.291 121.713 120.400 0.035 0.000 2.044 205 K HA 0.050 4.371 4.320 0.001 0.000 0.204 205 K C 2.318 178.921 176.600 0.004 0.000 1.049 205 K CA 0.967 57.266 56.287 0.020 0.000 0.945 205 K CB 0.039 32.535 32.500 -0.006 0.000 0.724 205 K HN 0.083 nan 8.250 nan 0.000 0.440 206 K N -0.372 120.013 120.400 -0.024 0.000 2.167 206 K HA -0.090 4.231 4.320 0.001 0.000 0.203 206 K C 1.851 178.378 176.600 -0.122 0.000 1.052 206 K CA 0.747 56.975 56.287 -0.098 0.000 0.956 206 K CB -0.149 32.267 32.500 -0.141 0.000 0.735 206 K HN 0.065 nan 8.250 nan 0.000 0.451 207 F N 2.017 121.873 119.950 -0.158 0.000 2.046 207 F HA -0.227 4.301 4.527 0.001 0.000 0.297 207 F C 2.145 177.905 175.800 -0.067 0.000 1.123 207 F CA 1.889 59.833 58.000 -0.093 0.000 1.199 207 F CB -0.199 38.830 39.000 0.047 0.000 0.972 207 F HN -0.095 nan 8.300 nan 0.000 0.474 208 K N 0.137 120.665 120.400 0.213 0.000 2.160 208 K HA -0.238 4.083 4.320 0.001 0.000 0.206 208 K C 2.136 178.723 176.600 -0.023 0.000 1.047 208 K CA 1.706 58.071 56.287 0.129 0.000 0.930 208 K CB -0.106 32.478 32.500 0.141 0.000 0.720 208 K HN 0.287 nan 8.250 nan 0.000 0.450 209 K N -0.299 120.049 120.400 -0.087 0.000 2.116 209 K HA -0.034 4.286 4.320 0.001 0.000 0.203 209 K C 1.882 178.361 176.600 -0.202 0.000 1.052 209 K CA 0.875 57.097 56.287 -0.108 0.000 0.952 209 K CB 0.256 32.698 32.500 -0.097 0.000 0.729 209 K HN -0.027 nan 8.250 nan 0.000 0.446 210 V N 0.478 120.131 119.914 -0.435 0.000 2.591 210 V HA -0.095 4.026 4.120 0.001 0.000 0.249 210 V C 0.724 176.279 176.094 -0.899 0.000 1.053 210 V CA 1.229 63.105 62.300 -0.707 0.000 1.068 210 V CB -0.193 30.938 31.823 -1.153 0.000 0.689 210 V HN 0.149 nan 8.190 nan 0.000 0.462 211 F N 1.800 121.460 119.950 -0.483 0.000 2.471 211 F HA 0.397 4.924 4.527 0.001 0.000 0.318 211 F C -2.055 173.621 175.800 -0.206 0.000 1.308 211 F CA -2.157 55.475 58.000 -0.612 0.000 1.162 211 F CB 0.619 39.215 39.000 -0.673 0.000 1.383 211 F HN 0.093 nan 8.300 nan 0.000 0.552 212 P HA 0.050 nan 4.420 nan 0.000 0.271 212 P C -0.219 177.228 177.300 0.246 0.000 1.244 212 P CA -0.098 63.093 63.100 0.152 0.000 0.793 212 P CB 0.986 32.766 31.700 0.133 0.000 0.984 213 T N 1.874 116.533 114.554 0.176 0.000 2.743 213 T HA 0.362 4.713 4.350 0.001 0.000 0.293 213 T C 0.490 175.268 174.700 0.130 0.000 0.945 213 T CA -0.325 61.869 62.100 0.156 0.000 1.030 213 T CB -0.084 68.849 68.868 0.108 0.000 0.912 213 T HN 0.162 nan 8.240 nan 0.000 0.483 214 L N 2.435 123.732 121.223 0.124 0.000 2.456 214 L HA 0.414 4.755 4.340 0.001 0.000 0.257 214 L C 1.274 178.164 176.870 0.034 0.000 1.162 214 L CA -0.978 53.911 54.840 0.082 0.000 0.808 214 L CB 0.469 42.568 42.059 0.066 0.000 1.136 214 L HN 0.670 nan 8.230 nan 0.000 0.466 215 S N 0.184 115.892 115.700 0.014 0.000 2.589 215 S HA 0.068 4.539 4.470 0.001 0.000 0.265 215 S C 0.833 175.413 174.600 -0.034 0.000 1.342 215 S CA -0.663 57.533 58.200 -0.007 0.000 1.005 215 S CB 0.899 64.093 63.200 -0.010 0.000 0.909 215 S HN 0.520 nan 8.310 nan 0.000 0.555 216 L N 2.187 123.386 121.223 -0.040 0.000 2.042 216 L HA 0.081 4.422 4.340 0.001 0.000 0.210 216 L C 2.430 179.241 176.870 -0.098 0.000 1.076 216 L CA 2.412 57.214 54.840 -0.063 0.000 0.749 216 L CB -1.380 40.649 42.059 -0.050 0.000 0.893 216 L HN 0.996 nan 8.230 nan 0.000 0.432 217 G N -1.428 107.320 108.800 -0.087 0.000 2.403 217 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 217 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 217 G C 1.538 176.340 174.900 -0.164 0.000 1.154 217 G CA 0.640 45.669 45.100 -0.119 0.000 0.784 217 G HN 0.332 nan 8.290 nan 0.000 0.538 218 L N 0.730 121.886 121.223 -0.113 0.000 2.201 218 L HA 0.049 4.389 4.340 0.001 0.000 0.212 218 L C 2.168 178.951 176.870 -0.145 0.000 1.105 218 L CA 1.772 56.549 54.840 -0.105 0.000 0.775 218 L CB -0.171 41.864 42.059 -0.040 0.000 0.913 218 L HN 0.264 nan 8.230 nan 0.000 0.440 219 D N -0.848 119.462 120.400 -0.151 0.000 2.162 219 D HA -0.222 4.419 4.640 0.001 0.000 0.203 219 D C 2.047 178.169 176.300 -0.296 0.000 0.967 219 D CA 0.749 54.645 54.000 -0.174 0.000 0.840 219 D CB 0.290 41.013 40.800 -0.129 0.000 0.972 219 D HN 0.327 nan 8.370 nan 0.000 0.482 220 K N 0.576 120.754 120.400 -0.371 0.000 2.097 220 K HA -0.110 4.211 4.320 0.001 0.000 0.205 220 K C 2.004 177.933 176.600 -1.118 0.000 1.050 220 K CA 0.958 56.889 56.287 -0.592 0.000 0.938 220 K CB 0.181 32.393 32.500 -0.480 0.000 0.718 220 K HN 0.143 nan 8.250 nan 0.000 0.442 221 E N 0.041 119.670 120.200 -0.952 0.000 2.072 221 E HA -0.146 4.205 4.350 0.001 0.000 0.191 221 E C 1.993 178.107 176.600 -0.811 0.000 0.985 221 E CA 1.210 56.870 56.400 -1.232 0.000 0.801 221 E CB 0.074 29.291 29.700 -0.806 0.000 0.750 221 E HN 0.097 nan 8.360 nan 0.000 0.452 222 V N 1.746 121.419 119.914 -0.401 0.000 2.343 222 V HA -0.243 3.878 4.120 0.001 0.000 0.247 222 V C 2.281 178.274 176.094 -0.169 0.000 1.051 222 V CA 1.574 63.784 62.300 -0.150 0.000 1.036 222 V CB -0.510 31.272 31.823 -0.069 0.000 0.654 222 V HN 0.213 nan 8.190 nan 0.000 0.451 223 R N -0.879 119.455 120.500 -0.277 0.000 2.127 223 R HA -0.178 4.162 4.340 0.001 0.000 0.238 223 R C 2.208 178.483 176.300 -0.042 0.000 1.134 223 R CA 1.696 57.695 56.100 -0.169 0.000 0.975 223 R CB -0.719 29.439 30.300 -0.238 0.000 0.865 223 R HN 0.614 nan 8.270 nan 0.000 0.447 224 Y N 0.337 120.504 120.300 -0.222 0.000 2.256 224 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 224 Y C 2.302 178.181 175.900 -0.034 0.000 1.155 224 Y CA 0.433 58.400 58.100 -0.222 0.000 1.203 224 Y CB -0.054 38.021 38.460 -0.642 0.000 0.980 224 Y HN 0.126 nan 8.280 nan 0.000 0.530 225 A N -1.247 121.667 122.820 0.156 0.000 2.251 225 A HA -0.023 4.298 4.320 0.001 0.000 0.209 225 A C -0.114 177.488 177.584 0.030 0.000 1.187 225 A CA -0.158 51.946 52.037 0.113 0.000 0.823 225 A CB -0.804 18.257 19.000 0.101 0.000 0.846 225 A HN 0.440 nan 8.150 nan 0.000 0.486 226 Y N 0.921 121.199 120.300 -0.035 0.000 2.304 226 Y HA 0.584 5.135 4.550 0.001 0.000 0.328 226 Y C 0.286 176.178 175.900 -0.013 0.000 1.123 226 Y CA -0.529 57.544 58.100 -0.044 0.000 1.218 226 Y CB 0.475 38.910 38.460 -0.042 0.000 1.207 226 Y HN 0.230 nan 8.280 nan 0.000 0.495 227 R N 2.966 122.923 120.500 -0.905 0.000 2.836 227 R HA 0.597 4.938 4.340 0.001 0.000 0.269 227 R C -0.262 175.555 176.300 -0.805 0.000 1.010 227 R CA -0.733 55.005 56.100 -0.603 0.000 0.930 227 R CB 1.721 31.866 30.300 -0.259 0.000 1.218 227 R HN 0.871 nan 8.270 nan 0.000 0.473 228 G N -0.427 108.189 108.800 -0.306 0.000 2.641 228 G HA2 0.463 4.424 3.960 0.001 0.000 0.239 228 G HA3 0.463 4.424 3.960 0.001 0.000 0.239 228 G C -0.274 174.653 174.900 0.045 0.000 1.402 228 G CA -0.541 44.510 45.100 -0.081 0.000 1.046 228 G HN 0.556 nan 8.290 nan 0.000 0.565 229 G N -1.361 107.527 108.800 0.147 0.000 2.594 229 G HA2 0.370 4.330 3.960 0.001 0.000 0.243 229 G HA3 0.370 4.330 3.960 0.001 0.000 0.243 229 G C -0.922 174.109 174.900 0.218 0.000 1.229 229 G CA -0.407 44.802 45.100 0.180 0.000 0.843 229 G HN 0.368 nan 8.290 nan 0.000 0.578 230 F N 1.304 121.312 119.950 0.096 0.000 2.413 230 F HA 0.488 5.016 4.527 0.001 0.000 0.359 230 F C 0.242 176.098 175.800 0.094 0.000 1.122 230 F CA -0.458 57.620 58.000 0.129 0.000 1.160 230 F CB 1.125 40.148 39.000 0.038 0.000 1.146 230 F HN 0.229 nan 8.300 nan 0.000 0.514 231 T N 6.624 120.954 114.554 -0.373 0.000 2.934 231 T HA 0.228 4.579 4.350 0.001 0.000 0.328 231 T C -1.720 172.758 174.700 -0.371 0.000 1.068 231 T CA -0.314 61.587 62.100 -0.330 0.000 1.018 231 T CB 0.122 68.959 68.868 -0.052 0.000 1.009 231 T HN 0.643 nan 8.240 nan 0.000 0.471 232 W N 4.973 125.773 121.300 -0.833 0.000 3.032 232 W HA 0.740 5.401 4.660 0.001 0.000 0.335 232 W C -2.470 173.869 176.519 -0.301 0.000 1.154 232 W CA -1.232 55.752 57.345 -0.602 0.000 1.204 232 W CB 1.185 30.074 29.460 -0.953 0.000 1.416 232 W HN 0.455 nan 8.180 nan 0.000 0.521 233 L N 6.198 126.918 121.223 -0.838 0.000 2.356 233 L HA 0.465 4.805 4.340 0.001 0.000 0.277 233 L C -0.507 175.577 176.870 -1.309 0.000 0.996 233 L CA -0.548 53.850 54.840 -0.737 0.000 0.822 233 L CB 1.360 43.334 42.059 -0.141 0.000 1.256 233 L HN 0.527 nan 8.230 nan 0.000 0.413 234 N N 3.154 121.123 118.700 -1.218 0.000 2.434 234 N HA -0.047 4.694 4.740 0.001 0.000 0.268 234 N C 0.442 175.799 175.510 -0.255 0.000 1.256 234 N CA 0.263 52.835 53.050 -0.797 0.000 0.914 234 N CB 0.713 39.043 38.487 -0.261 0.000 1.088 234 N HN 0.648 nan 8.380 nan 0.000 0.478 235 D N 3.141 123.470 120.400 -0.118 0.000 2.158 235 D HA -0.213 4.427 4.640 0.001 0.000 0.197 235 D C 1.639 177.930 176.300 -0.015 0.000 0.995 235 D CA 0.943 54.932 54.000 -0.018 0.000 0.846 235 D CB 0.107 40.941 40.800 0.057 0.000 0.941 235 D HN 0.645 nan 8.370 nan 0.000 0.456 236 R N 0.072 120.556 120.500 -0.027 0.000 2.112 236 R HA -0.184 4.156 4.340 0.001 0.000 0.242 236 R C 1.574 177.713 176.300 -0.269 0.000 1.137 236 R CA 1.417 57.411 56.100 -0.177 0.000 0.944 236 R CB -0.352 29.774 30.300 -0.291 0.000 0.857 236 R HN 0.150 nan 8.270 nan 0.000 0.435 237 F N 1.000 120.892 119.950 -0.095 0.000 2.692 237 F HA 0.244 4.772 4.527 0.001 0.000 0.303 237 F C 0.611 176.390 175.800 -0.035 0.000 1.114 237 F CA -0.084 57.877 58.000 -0.066 0.000 1.361 237 F CB -0.059 38.867 39.000 -0.124 0.000 1.063 237 F HN -0.104 nan 8.300 nan 0.000 0.550 238 K N 1.597 122.049 120.400 0.087 0.000 2.416 238 K HA -0.026 4.294 4.320 0.001 0.000 0.283 238 K C 0.769 177.411 176.600 0.071 0.000 1.037 238 K CA 0.468 56.795 56.287 0.067 0.000 0.995 238 K CB 0.241 32.755 32.500 0.023 0.000 0.938 238 K HN 0.411 nan 8.250 nan 0.000 0.475 239 E N 0.791 121.042 120.200 0.085 0.000 4.570 239 E HA -0.320 4.030 4.350 0.001 0.000 0.259 239 E C -0.650 175.998 176.600 0.080 0.000 0.782 239 E CA 1.668 58.101 56.400 0.055 0.000 1.422 239 E CB -0.755 28.954 29.700 0.014 0.000 1.734 239 E HN 0.661 nan 8.360 nan 0.000 0.390 240 K N 1.911 122.368 120.400 0.096 0.000 2.295 240 K HA 0.196 4.517 4.320 0.001 0.000 0.270 240 K C 0.341 177.046 176.600 0.174 0.000 1.011 240 K CA 0.103 56.453 56.287 0.105 0.000 0.953 240 K CB 0.546 33.087 32.500 0.068 0.000 0.956 240 K HN 0.205 nan 8.250 nan 0.000 0.477 241 E N 3.376 123.689 120.200 0.187 0.000 2.283 241 E HA 0.441 4.792 4.350 0.001 0.000 0.271 241 E C -0.255 176.497 176.600 0.253 0.000 1.031 241 E CA -0.811 55.747 56.400 0.262 0.000 0.868 241 E CB 0.920 30.826 29.700 0.345 0.000 1.094 241 E HN 0.597 nan 8.360 nan 0.000 0.401 242 I N -1.894 118.855 120.570 0.300 0.000 3.516 242 I HA 0.864 5.035 4.170 0.001 0.000 0.302 242 I C -0.281 176.002 176.117 0.276 0.000 1.143 242 I CA -1.445 60.029 61.300 0.289 0.000 1.003 242 I CB 2.117 40.346 38.000 0.381 0.000 1.347 242 I HN 0.603 nan 8.210 nan 0.000 0.486 243 G N 0.353 109.319 108.800 0.277 0.000 2.746 243 G HA2 0.559 4.519 3.960 0.001 0.000 0.297 243 G HA3 0.559 4.519 3.960 0.001 0.000 0.297 243 G C -1.520 173.524 174.900 0.239 0.000 1.426 243 G CA -0.301 44.952 45.100 0.255 0.000 0.989 243 G HN 0.813 nan 8.290 nan 0.000 0.520 244 E N -0.840 119.495 120.200 0.226 0.000 7.319 244 E HA -0.047 4.304 4.350 0.001 0.000 0.251 244 E C 0.070 176.494 176.600 -0.295 0.000 0.944 244 E CA 1.242 57.638 56.400 -0.007 0.000 1.530 244 E CB -1.067 28.656 29.700 0.039 0.000 0.918 244 E HN 1.465 nan 8.360 nan 0.000 0.271 245 G N 1.852 109.995 108.800 -1.096 0.000 2.660 245 G HA2 0.762 4.723 3.960 0.001 0.000 0.290 245 G HA3 0.762 4.723 3.960 0.001 0.000 0.290 245 G C -0.646 173.592 174.900 -1.104 0.000 1.432 245 G CA -0.775 43.561 45.100 -1.273 0.000 0.807 245 G HN 0.181 nan 8.290 nan 0.000 0.485 246 M N -0.326 118.975 119.600 -0.497 0.000 2.690 246 M HA 0.735 5.216 4.480 0.001 0.000 0.302 246 M C -1.034 175.179 176.300 -0.145 0.000 1.234 246 M CA -1.112 54.036 55.300 -0.253 0.000 0.853 246 M CB 2.695 35.256 32.600 -0.065 0.000 1.748 246 M HN 0.225 nan 8.290 nan 0.000 0.469 247 V N 1.606 121.367 119.914 -0.255 0.000 2.577 247 V HA 0.577 4.698 4.120 0.001 0.000 0.303 247 V C -1.512 174.484 176.094 -0.163 0.000 1.042 247 V CA -0.511 61.730 62.300 -0.099 0.000 0.872 247 V CB 1.835 33.560 31.823 -0.163 0.000 0.998 247 V HN 0.629 nan 8.190 nan 0.000 0.423 248 F N 2.004 122.095 119.950 0.235 0.000 2.482 248 F HA 0.664 5.191 4.527 0.001 0.000 0.331 248 F C -0.008 176.084 175.800 0.486 0.000 1.115 248 F CA -0.612 57.586 58.000 0.331 0.000 0.955 248 F CB 1.840 40.993 39.000 0.255 0.000 1.136 248 F HN 0.396 nan 8.300 nan 0.000 0.452 249 D N 1.339 122.084 120.400 0.575 0.000 2.498 249 D HA 0.473 5.113 4.640 0.001 0.000 0.247 249 D C -0.890 175.546 176.300 0.227 0.000 1.070 249 D CA -0.285 53.950 54.000 0.393 0.000 0.842 249 D CB 2.408 43.342 40.800 0.223 0.000 1.361 249 D HN 0.107 nan 8.370 nan 0.000 0.484 250 V N 3.083 122.935 119.914 -0.104 0.000 2.637 250 V HA 0.097 4.217 4.120 0.001 0.000 0.296 250 V C 0.335 176.339 176.094 -0.150 0.000 1.046 250 V CA -0.504 61.561 62.300 -0.391 0.000 1.066 250 V CB 0.462 31.877 31.823 -0.679 0.000 0.968 250 V HN 0.455 nan 8.190 nan 0.000 0.483 251 N N 3.430 122.076 118.700 -0.088 0.000 2.406 251 N HA 0.076 4.817 4.740 0.001 0.000 0.265 251 N C 0.315 175.794 175.510 -0.052 0.000 1.203 251 N CA 0.156 53.192 53.050 -0.024 0.000 0.945 251 N CB 0.769 39.269 38.487 0.021 0.000 1.165 251 N HN 0.801 nan 8.380 nan 0.000 0.485 252 S N 0.970 116.647 115.700 -0.038 0.000 3.477 252 S HA -0.180 4.290 4.470 0.001 0.000 0.426 252 S C 1.233 175.788 174.600 -0.076 0.000 0.874 252 S CA -0.020 58.164 58.200 -0.027 0.000 1.341 252 S CB -1.034 62.175 63.200 0.014 0.000 0.917 252 S HN 0.610 nan 8.310 nan 0.000 0.607 253 L N 2.541 123.664 121.223 -0.168 0.000 1.963 253 L HA -0.174 4.167 4.340 0.001 0.000 0.220 253 L C 1.877 178.628 176.870 -0.198 0.000 1.076 253 L CA 2.193 56.864 54.840 -0.281 0.000 0.772 253 L CB -0.540 41.221 42.059 -0.498 0.000 0.892 253 L HN 0.738 nan 8.230 nan 0.000 0.435 254 Y N -0.696 119.553 120.300 -0.085 0.000 2.133 254 Y HA -0.143 4.408 4.550 0.001 0.000 0.287 254 Y C -0.155 175.713 175.900 -0.052 0.000 1.134 254 Y CA 1.027 59.057 58.100 -0.117 0.000 1.133 254 Y CB -1.584 36.756 38.460 -0.200 0.000 0.987 254 Y HN 0.279 nan 8.280 nan 0.000 0.502 255 P HA -0.192 nan 4.420 nan 0.000 0.219 255 P C 1.126 178.514 177.300 0.147 0.000 1.146 255 P CA 2.020 65.208 63.100 0.147 0.000 0.808 255 P CB -0.083 31.717 31.700 0.166 0.000 0.779 256 A N -0.472 122.398 122.820 0.085 0.000 1.898 256 A HA -0.207 4.113 4.320 0.001 0.000 0.216 256 A C 2.152 179.792 177.584 0.093 0.000 1.181 256 A CA 1.328 53.408 52.037 0.071 0.000 0.620 256 A CB -1.015 17.974 19.000 -0.017 0.000 0.819 256 A HN 0.099 nan 8.150 nan 0.000 0.442 257 Q N -0.260 119.582 119.800 0.070 0.000 2.079 257 Q HA -0.061 4.280 4.340 0.001 0.000 0.200 257 Q C 2.080 178.110 176.000 0.050 0.000 0.974 257 Q CA 1.564 57.396 55.803 0.048 0.000 0.840 257 Q CB -0.649 28.172 28.738 0.138 0.000 0.898 257 Q HN 0.782 nan 8.270 nan 0.000 0.430 258 M N -0.830 118.800 119.600 0.051 0.000 2.279 258 M HA -0.150 4.331 4.480 0.001 0.000 0.264 258 M C 1.845 178.284 176.300 0.232 0.000 1.062 258 M CA 1.225 56.522 55.300 -0.005 0.000 1.099 258 M CB -0.346 32.013 32.600 -0.402 0.000 1.394 258 M HN 0.104 nan 8.290 nan 0.000 0.426 259 Y N 0.534 120.902 120.300 0.113 0.000 2.243 259 Y HA -0.165 4.386 4.550 0.001 0.000 0.293 259 Y C 2.287 178.248 175.900 0.101 0.000 1.124 259 Y CA 1.651 59.842 58.100 0.151 0.000 1.159 259 Y CB 0.383 38.915 38.460 0.119 0.000 1.008 259 Y HN 0.284 nan 8.280 nan 0.000 0.527 260 S N -1.493 114.292 115.700 0.142 0.000 2.893 260 S HA 0.369 4.840 4.470 0.001 0.000 0.258 260 S C -0.041 174.491 174.600 -0.113 0.000 1.034 260 S CA -0.750 57.464 58.200 0.023 0.000 1.167 260 S CB 0.199 63.464 63.200 0.110 0.000 1.137 260 S HN -0.034 nan 8.310 nan 0.000 0.650 261 R N 1.095 121.473 120.500 -0.202 0.000 2.528 261 R HA 0.417 4.757 4.340 0.001 0.000 0.271 261 R C -0.549 175.584 176.300 -0.279 0.000 1.056 261 R CA -0.947 54.837 56.100 -0.527 0.000 1.117 261 R CB 0.455 30.177 30.300 -0.964 0.000 1.085 261 R HN 0.337 nan 8.270 nan 0.000 0.530 262 L N 3.080 124.148 121.223 -0.258 0.000 2.407 262 L HA 0.204 4.544 4.340 0.001 0.000 0.282 262 L C -0.644 176.335 176.870 0.183 0.000 1.110 262 L CA 0.580 55.444 54.840 0.040 0.000 0.863 262 L CB -0.160 41.986 42.059 0.145 0.000 1.207 262 L HN 0.337 nan 8.230 nan 0.000 0.454 263 L N 7.490 128.799 121.223 0.143 0.000 2.334 263 L HA 0.647 4.988 4.340 0.001 0.000 0.273 263 L C -2.083 174.845 176.870 0.098 0.000 1.013 263 L CA -1.966 52.973 54.840 0.165 0.000 0.816 263 L CB 1.933 44.140 42.059 0.247 0.000 1.278 263 L HN 0.476 nan 8.230 nan 0.000 0.431 264 P HA 0.239 nan 4.420 nan 0.000 0.276 264 P C -1.776 175.746 177.300 0.370 0.000 1.244 264 P CA -0.048 63.065 63.100 0.021 0.000 0.801 264 P CB 1.119 32.615 31.700 -0.340 0.000 1.006 265 Y N -2.173 118.266 120.300 0.231 0.000 2.641 265 Y HA 0.578 5.129 4.550 0.001 0.000 0.333 265 Y C -0.229 175.729 175.900 0.097 0.000 1.174 265 Y CA -0.349 57.784 58.100 0.055 0.000 1.057 265 Y CB 0.494 38.849 38.460 -0.175 0.000 1.322 265 Y HN 0.962 nan 8.280 nan 0.000 0.457 266 G N 1.463 110.300 108.800 0.062 0.000 2.760 266 G HA2 -0.029 3.932 3.960 0.001 0.000 0.246 266 G HA3 -0.029 3.932 3.960 0.001 0.000 0.246 266 G C -1.139 173.900 174.900 0.232 0.000 1.359 266 G CA -0.213 44.930 45.100 0.071 0.000 0.861 266 G HN 1.042 nan 8.290 nan 0.000 0.541 267 E N 1.479 121.773 120.200 0.156 0.000 2.290 267 E HA 0.530 4.880 4.350 0.001 0.000 0.277 267 E C -1.416 175.251 176.600 0.112 0.000 1.035 267 E CA -1.103 55.390 56.400 0.156 0.000 0.873 267 E CB 0.748 30.509 29.700 0.101 0.000 1.029 267 E HN 0.453 nan 8.360 nan 0.000 0.419 268 P HA 0.157 nan 4.420 nan 0.000 0.274 268 P C -0.603 176.585 177.300 -0.186 0.000 1.231 268 P CA 0.028 62.962 63.100 -0.277 0.000 0.790 268 P CB 0.726 32.126 31.700 -0.500 0.000 0.951 269 I N 1.802 122.221 120.570 -0.253 0.000 2.378 269 I HA 0.199 4.370 4.170 0.001 0.000 0.291 269 I C 0.207 176.251 176.117 -0.121 0.000 0.992 269 I CA -1.203 59.967 61.300 -0.217 0.000 1.154 269 I CB 1.934 39.684 38.000 -0.417 0.000 1.315 269 I HN 0.011 nan 8.210 nan 0.000 0.448 270 V N 7.287 127.151 119.914 -0.084 0.000 2.614 270 V HA 0.234 4.355 4.120 0.001 0.000 0.291 270 V C -0.195 175.907 176.094 0.013 0.000 1.049 270 V CA -0.020 62.235 62.300 -0.075 0.000 1.038 270 V CB 0.731 32.519 31.823 -0.058 0.000 0.980 270 V HN 0.541 nan 8.190 nan 0.000 0.481 271 F N 2.075 122.019 119.950 -0.011 0.000 2.603 271 F HA 0.832 5.360 4.527 0.001 0.000 0.317 271 F C -0.395 175.413 175.800 0.013 0.000 1.066 271 F CA -1.402 56.584 58.000 -0.023 0.000 0.941 271 F CB 1.413 40.387 39.000 -0.043 0.000 1.291 271 F HN 0.398 nan 8.300 nan 0.000 0.472 272 E N 0.886 121.246 120.200 0.267 0.000 2.202 272 E HA 0.572 4.923 4.350 0.001 0.000 0.272 272 E C 0.303 177.052 176.600 0.248 0.000 0.951 272 E CA -0.247 56.249 56.400 0.160 0.000 0.813 272 E CB 1.699 31.449 29.700 0.084 0.000 1.151 272 E HN 1.157 nan 8.360 nan 0.000 0.398 273 G N 2.678 111.586 108.800 0.179 0.000 2.539 273 G HA2 -0.320 3.640 3.960 0.001 0.000 0.256 273 G HA3 -0.320 3.640 3.960 0.001 0.000 0.256 273 G C -0.382 174.697 174.900 0.298 0.000 1.233 273 G CA -0.025 45.186 45.100 0.185 0.000 0.936 273 G HN 0.539 nan 8.290 nan 0.000 0.571 274 K N -0.066 120.408 120.400 0.123 0.000 2.205 274 K HA 0.481 4.801 4.320 0.001 0.000 0.279 274 K C 0.130 176.638 176.600 -0.154 0.000 1.027 274 K CA -0.686 55.563 56.287 -0.063 0.000 0.932 274 K CB 0.654 32.830 32.500 -0.540 0.000 1.032 274 K HN 0.641 nan 8.250 nan 0.000 0.466 275 Y N 3.412 123.493 120.300 -0.366 0.000 2.712 275 Y HA 0.090 4.641 4.550 0.001 0.000 0.333 275 Y C -0.795 174.770 175.900 -0.559 0.000 1.225 275 Y CA 0.214 57.781 58.100 -0.888 0.000 1.499 275 Y CB 0.623 38.398 38.460 -1.141 0.000 1.288 275 Y HN 0.221 nan 8.280 nan 0.000 0.575 276 V N 7.692 126.821 119.914 -1.308 0.000 2.581 276 V HA 0.058 4.179 4.120 0.001 0.000 0.303 276 V C -0.546 174.858 176.094 -1.150 0.000 1.041 276 V CA -1.308 60.486 62.300 -0.844 0.000 0.907 276 V CB 1.539 33.042 31.823 -0.533 0.000 0.994 276 V HN 0.947 nan 8.190 nan 0.000 0.442 277 W N 5.213 126.155 121.300 -0.597 0.000 2.443 277 W HA 0.054 4.715 4.660 0.001 0.000 0.335 277 W C -0.721 175.648 176.519 -0.251 0.000 1.382 277 W CA 0.370 57.550 57.345 -0.275 0.000 1.305 277 W CB 0.595 30.023 29.460 -0.054 0.000 1.283 277 W HN 0.618 nan 8.180 nan 0.000 0.567 278 D N 5.622 125.473 120.400 -0.915 0.000 2.420 278 D HA 0.013 4.654 4.640 0.001 0.000 0.255 278 D C 1.059 176.775 176.300 -0.973 0.000 1.185 278 D CA -0.214 53.332 54.000 -0.756 0.000 0.904 278 D CB 0.907 41.494 40.800 -0.354 0.000 1.102 278 D HN 0.666 nan 8.370 nan 0.000 0.534 279 E N 2.375 121.939 120.200 -1.060 0.000 2.136 279 E HA -0.268 4.083 4.350 0.001 0.000 0.202 279 E C 0.304 176.704 176.600 -0.333 0.000 1.019 279 E CA 1.590 57.605 56.400 -0.642 0.000 0.819 279 E CB 0.361 29.946 29.700 -0.191 0.000 0.739 279 E HN 0.430 nan 8.360 nan 0.000 0.458 280 D N -1.180 119.087 120.400 -0.221 0.000 2.289 280 D HA -0.076 4.565 4.640 0.001 0.000 0.207 280 D C -0.105 175.971 176.300 -0.373 0.000 0.966 280 D CA 0.799 54.683 54.000 -0.193 0.000 0.868 280 D CB 0.144 40.902 40.800 -0.070 0.000 0.943 280 D HN 0.282 nan 8.370 nan 0.000 0.514 281 Y N -0.484 119.702 120.300 -0.190 0.000 2.562 281 Y HA 0.261 4.812 4.550 0.001 0.000 0.363 281 Y C -1.784 174.094 175.900 -0.036 0.000 0.991 281 Y CA -2.000 56.050 58.100 -0.082 0.000 1.121 281 Y CB 1.598 40.035 38.460 -0.039 0.000 1.159 281 Y HN -0.101 nan 8.280 nan 0.000 0.651 282 P HA -0.130 nan 4.420 nan 0.000 0.218 282 P C -0.001 177.438 177.300 0.232 0.000 1.149 282 P CA 1.472 64.627 63.100 0.092 0.000 0.817 282 P CB 0.622 32.411 31.700 0.149 0.000 0.785 283 L N -0.581 120.736 121.223 0.158 0.000 2.352 283 L HA 0.478 4.818 4.340 0.001 0.000 0.269 283 L C 0.551 177.609 176.870 0.312 0.000 1.034 283 L CA -0.871 54.029 54.840 0.099 0.000 0.806 283 L CB 1.058 42.931 42.059 -0.309 0.000 1.244 283 L HN 0.187 nan 8.230 nan 0.000 0.447 284 H N 0.615 119.822 119.070 0.228 0.000 3.024 284 H HA 0.470 5.026 4.556 0.001 0.000 0.324 284 H C -1.905 173.718 175.328 0.492 0.000 1.347 284 H CA -0.878 55.420 56.048 0.416 0.000 1.182 284 H CB 1.491 31.281 29.762 0.045 0.000 1.889 284 H HN 0.450 nan 8.280 nan 0.000 0.528 285 I N 1.948 122.869 120.570 0.586 0.000 2.406 285 I HA 0.182 4.353 4.170 0.001 0.000 0.290 285 I C -0.508 175.872 176.117 0.438 0.000 0.999 285 I CA -0.542 60.994 61.300 0.392 0.000 1.124 285 I CB 2.078 40.362 38.000 0.474 0.000 1.289 285 I HN 0.480 nan 8.210 nan 0.000 0.441 286 Q N 5.660 125.650 119.800 0.317 0.000 2.333 286 Q HA 0.290 4.630 4.340 0.001 0.000 0.267 286 Q C -1.030 174.980 176.000 0.016 0.000 1.012 286 Q CA -0.528 55.448 55.803 0.289 0.000 0.824 286 Q CB 1.267 30.272 28.738 0.445 0.000 1.290 286 Q HN 0.614 nan 8.270 nan 0.000 0.449 287 H N 5.344 124.159 119.070 -0.425 0.000 2.705 287 H HA 0.453 5.010 4.556 0.001 0.000 0.291 287 H C -1.091 173.959 175.328 -0.463 0.000 1.085 287 H CA -0.505 54.973 56.048 -0.950 0.000 1.357 287 H CB 0.606 29.392 29.762 -1.627 0.000 1.419 287 H HN 0.723 nan 8.280 nan 0.000 0.462 288 I N 4.686 125.042 120.570 -0.356 0.000 2.957 288 I HA 0.468 4.639 4.170 0.001 0.000 0.310 288 I C -1.132 174.778 176.117 -0.345 0.000 1.063 288 I CA -1.164 59.910 61.300 -0.376 0.000 1.033 288 I CB 1.991 39.807 38.000 -0.307 0.000 1.230 288 I HN 0.616 nan 8.210 nan 0.000 0.447 289 R N 4.418 124.727 120.500 -0.319 0.000 2.575 289 R HA 0.683 5.024 4.340 0.001 0.000 0.293 289 R C -1.468 174.747 176.300 -0.143 0.000 0.983 289 R CA -0.369 55.614 56.100 -0.195 0.000 0.887 289 R CB 1.690 31.869 30.300 -0.201 0.000 1.184 289 R HN 0.908 nan 8.270 nan 0.000 0.445 290 C N -0.506 118.768 119.300 -0.044 0.000 3.253 290 C HA 0.562 5.023 4.460 0.001 0.000 0.362 290 C C -1.398 173.640 174.990 0.081 0.000 1.487 290 C CA -1.035 57.986 59.018 0.005 0.000 1.179 290 C CB 1.516 29.248 27.740 -0.012 0.000 1.660 290 C HN 0.806 nan 8.230 nan 0.000 0.438 291 E N -0.033 120.230 120.200 0.104 0.000 2.312 291 E HA 0.841 5.191 4.350 0.001 0.000 0.267 291 E C -1.452 175.249 176.600 0.168 0.000 0.894 291 E CA -0.270 56.141 56.400 0.018 0.000 0.773 291 E CB 2.468 32.187 29.700 0.032 0.000 1.241 291 E HN 0.691 nan 8.360 nan 0.000 0.432 292 F N -1.265 118.765 119.950 0.133 0.000 2.668 292 F HA 0.626 5.153 4.527 0.001 0.000 0.309 292 F C -1.085 174.869 175.800 0.256 0.000 1.117 292 F CA -1.064 57.024 58.000 0.147 0.000 0.951 292 F CB 1.503 40.507 39.000 0.008 0.000 1.323 292 F HN 0.065 nan 8.300 nan 0.000 0.451 293 E N 2.331 122.835 120.200 0.505 0.000 2.265 293 E HA 0.294 4.645 4.350 0.001 0.000 0.262 293 E C -1.386 175.386 176.600 0.287 0.000 0.889 293 E CA -0.819 55.801 56.400 0.367 0.000 0.789 293 E CB 2.773 32.645 29.700 0.286 0.000 1.221 293 E HN 0.816 nan 8.360 nan 0.000 0.414 294 L N 2.694 124.003 121.223 0.143 0.000 2.559 294 L HA 0.000 4.341 4.340 0.001 0.000 0.282 294 L C 0.218 177.019 176.870 -0.115 0.000 1.232 294 L CA 0.775 55.435 54.840 -0.300 0.000 0.885 294 L CB 0.202 42.093 42.059 -0.281 0.000 1.131 294 L HN 0.313 nan 8.230 nan 0.000 0.498 295 K N 3.753 124.047 120.400 -0.178 0.000 2.202 295 K HA 0.134 4.455 4.320 0.001 0.000 0.264 295 K C -0.192 176.441 176.600 0.054 0.000 1.010 295 K CA -0.487 55.764 56.287 -0.061 0.000 0.940 295 K CB 0.503 32.879 32.500 -0.206 0.000 0.983 295 K HN 0.626 nan 8.250 nan 0.000 0.475 296 E N 0.691 120.938 120.200 0.079 0.000 2.366 296 E HA 0.002 4.353 4.350 0.001 0.000 0.266 296 E C 0.269 176.873 176.600 0.006 0.000 1.015 296 E CA 0.502 56.938 56.400 0.061 0.000 0.906 296 E CB 0.166 29.899 29.700 0.054 0.000 0.979 296 E HN 0.792 nan 8.360 nan 0.000 0.443 297 G N 3.776 112.516 108.800 -0.100 0.000 2.132 297 G HA2 -0.276 3.684 3.960 0.001 0.000 0.228 297 G HA3 -0.276 3.684 3.960 0.001 0.000 0.228 297 G C -0.800 173.294 174.900 -1.344 0.000 1.000 297 G CA 0.153 44.948 45.100 -0.509 0.000 0.693 297 G HN 0.516 nan 8.290 nan 0.000 0.515 298 Y N -0.769 119.104 120.300 -0.711 0.000 2.499 298 Y HA 0.661 5.212 4.550 0.001 0.000 0.347 298 Y C 0.922 176.539 175.900 -0.472 0.000 0.987 298 Y CA -1.201 56.428 58.100 -0.785 0.000 1.044 298 Y CB 1.326 39.369 38.460 -0.694 0.000 1.245 298 Y HN 0.130 nan 8.280 nan 0.000 0.461 299 I N 4.786 125.188 120.570 -0.280 0.000 2.575 299 I HA 0.203 4.374 4.170 0.001 0.000 0.285 299 I C -2.228 173.760 176.117 -0.215 0.000 1.085 299 I CA -1.906 59.193 61.300 -0.336 0.000 1.403 299 I CB 0.604 38.292 38.000 -0.519 0.000 1.409 299 I HN 0.310 nan 8.210 nan 0.000 0.557 300 P HA 0.035 nan 4.420 nan 0.000 0.267 300 P C -0.034 177.240 177.300 -0.044 0.000 1.200 300 P CA 0.226 63.251 63.100 -0.125 0.000 0.772 300 P CB 0.687 32.406 31.700 0.031 0.000 0.855 301 T N 0.617 115.322 114.554 0.253 0.000 3.105 301 T HA 0.232 4.583 4.350 0.001 0.000 0.257 301 T C 0.681 175.543 174.700 0.271 0.000 0.949 301 T CA -0.071 62.122 62.100 0.154 0.000 0.959 301 T CB 0.055 68.897 68.868 -0.044 0.000 1.205 301 T HN 0.233 nan 8.240 nan 0.000 0.496 302 I N 3.732 124.443 120.570 0.236 0.000 2.421 302 I HA 0.226 4.397 4.170 0.001 0.000 0.291 302 I C 0.316 176.506 176.117 0.123 0.000 1.089 302 I CA -0.057 61.234 61.300 -0.015 0.000 1.354 302 I CB 0.391 38.154 38.000 -0.396 0.000 1.413 302 I HN 0.306 nan 8.210 nan 0.000 0.513 303 Q N 7.765 127.568 119.800 0.005 0.000 2.306 303 Q HA 0.777 5.118 4.340 0.001 0.000 0.269 303 Q C -1.367 174.537 176.000 -0.160 0.000 1.053 303 Q CA -0.830 54.826 55.803 -0.246 0.000 0.879 303 Q CB 2.594 30.983 28.738 -0.581 0.000 1.344 303 Q HN 0.602 nan 8.270 nan 0.000 0.464 304 I N 1.455 121.906 120.570 -0.198 0.000 2.534 304 I HA 0.465 4.636 4.170 0.001 0.000 0.288 304 I C -0.633 175.416 176.117 -0.114 0.000 1.077 304 I CA -0.622 60.622 61.300 -0.093 0.000 1.051 304 I CB 2.222 40.206 38.000 -0.027 0.000 1.234 304 I HN 0.754 nan 8.210 nan 0.000 0.425 305 K N 4.623 124.987 120.400 -0.059 0.000 2.126 305 K HA 0.582 4.902 4.320 0.001 0.000 0.245 305 K C -0.687 175.919 176.600 0.011 0.000 1.068 305 K CA -0.792 55.475 56.287 -0.034 0.000 0.877 305 K CB 1.472 33.952 32.500 -0.033 0.000 1.406 305 K HN 0.456 nan 8.250 nan 0.000 0.490 306 R N 1.017 121.534 120.500 0.027 0.000 2.137 306 R HA -0.167 4.173 4.340 0.001 0.000 0.219 306 R C -0.211 176.104 176.300 0.024 0.000 0.736 306 R CA 0.346 56.462 56.100 0.027 0.000 0.550 306 R CB -1.649 28.669 30.300 0.030 0.000 1.568 306 R HN 0.503 nan 8.270 nan 0.000 0.549 307 S N 0.125 115.852 115.700 0.045 0.000 2.632 307 S HA 0.235 4.706 4.470 0.001 0.000 0.267 307 S C 1.621 176.256 174.600 0.058 0.000 1.193 307 S CA -0.817 57.419 58.200 0.060 0.000 1.003 307 S CB 0.789 64.044 63.200 0.091 0.000 1.073 307 S HN 0.462 nan 8.310 nan 0.000 0.553 308 R N -0.109 120.452 120.500 0.101 0.000 2.196 308 R HA -0.180 4.161 4.340 0.001 0.000 0.244 308 R C 1.738 178.033 176.300 -0.009 0.000 1.121 308 R CA 2.271 58.438 56.100 0.112 0.000 0.930 308 R CB -1.307 29.186 30.300 0.322 0.000 0.890 308 R HN 0.659 nan 8.270 nan 0.000 0.435 309 F N -3.121 116.859 119.950 0.050 0.000 2.536 309 F HA 0.217 4.744 4.527 0.001 0.000 0.278 309 F C 0.366 176.095 175.800 -0.118 0.000 0.945 309 F CA -0.045 57.972 58.000 0.028 0.000 1.244 309 F CB -0.110 39.012 39.000 0.204 0.000 1.118 309 F HN -0.126 nan 8.300 nan 0.000 0.725 310 Y N 1.461 121.898 120.300 0.228 0.000 2.409 310 Y HA 0.355 4.906 4.550 0.001 0.000 0.343 310 Y C 0.421 176.383 175.900 0.104 0.000 0.973 310 Y CA -1.809 56.375 58.100 0.140 0.000 1.064 310 Y CB 1.181 39.719 38.460 0.131 0.000 1.207 310 Y HN -0.074 nan 8.280 nan 0.000 0.452 311 K N 0.914 121.413 120.400 0.164 0.000 2.863 311 K HA 0.818 5.139 4.320 0.001 0.000 0.304 311 K C -0.006 176.680 176.600 0.143 0.000 1.015 311 K CA -0.402 55.959 56.287 0.122 0.000 1.093 311 K CB 0.247 32.794 32.500 0.079 0.000 1.345 311 K HN 0.831 nan 8.250 nan 0.000 0.500 312 G N 0.453 109.319 108.800 0.109 0.000 2.508 312 G HA2 -0.120 3.841 3.960 0.001 0.000 0.232 312 G HA3 -0.120 3.841 3.960 0.001 0.000 0.232 312 G C -1.211 173.739 174.900 0.084 0.000 1.450 312 G CA -0.667 44.501 45.100 0.114 0.000 0.923 312 G HN 0.693 nan 8.290 nan 0.000 0.559 313 N N 0.747 119.477 118.700 0.050 0.000 1.417 313 N HA -0.109 4.632 4.740 0.001 0.000 0.375 313 N C -0.095 175.376 175.510 -0.064 0.000 1.210 313 N CA 1.282 54.297 53.050 -0.057 0.000 0.781 313 N CB 0.319 38.809 38.487 0.006 0.000 0.996 313 N HN 0.663 nan 8.380 nan 0.000 0.535 314 E N 2.278 122.376 120.200 -0.171 0.000 2.145 314 E HA 0.225 4.576 4.350 0.001 0.000 0.270 314 E C -1.160 175.339 176.600 -0.169 0.000 0.906 314 E CA -0.467 55.909 56.400 -0.039 0.000 0.761 314 E CB 0.930 30.645 29.700 0.026 0.000 1.116 314 E HN 0.400 nan 8.360 nan 0.000 0.408 315 Y N 2.450 122.862 120.300 0.187 0.000 2.353 315 Y HA 0.253 4.803 4.550 0.001 0.000 0.340 315 Y C 0.179 176.219 175.900 0.233 0.000 0.972 315 Y CA -0.819 57.405 58.100 0.207 0.000 1.157 315 Y CB 0.685 39.281 38.460 0.226 0.000 1.157 315 Y HN 0.311 nan 8.280 nan 0.000 0.495 316 L N 4.169 125.603 121.223 0.352 0.000 2.426 316 L HA 0.215 4.556 4.340 0.001 0.000 0.271 316 L C 0.909 178.073 176.870 0.490 0.000 1.169 316 L CA 0.060 55.135 54.840 0.392 0.000 0.836 316 L CB 0.694 43.023 42.059 0.450 0.000 1.112 316 L HN 0.687 nan 8.230 nan 0.000 0.465 317 K N 0.752 121.396 120.400 0.407 0.000 2.380 317 K HA 0.159 4.479 4.320 0.001 0.000 0.198 317 K C 0.049 176.889 176.600 0.401 0.000 1.070 317 K CA 0.169 56.663 56.287 0.345 0.000 1.040 317 K CB 0.860 33.491 32.500 0.218 0.000 0.903 317 K HN 0.744 nan 8.250 nan 0.000 0.549 318 S N -0.766 115.151 115.700 0.363 0.000 2.578 318 S HA 0.110 4.581 4.470 0.001 0.000 0.272 318 S C 0.435 174.892 174.600 -0.237 0.000 1.145 318 S CA -0.546 57.717 58.200 0.104 0.000 0.835 318 S CB 1.451 64.689 63.200 0.063 0.000 1.104 318 S HN 0.032 nan 8.310 nan 0.000 0.458 319 S N 0.795 116.035 115.700 -0.766 0.000 2.470 319 S HA 0.377 4.848 4.470 0.001 0.000 0.225 319 S C 1.486 175.926 174.600 -0.267 0.000 1.006 319 S CA 0.361 58.149 58.200 -0.686 0.000 0.934 319 S CB -1.103 61.565 63.200 -0.886 0.000 0.778 319 S HN 2.555 nan 8.310 nan 0.000 0.517 320 G N 1.149 109.835 108.800 -0.190 0.000 2.354 320 G HA2 0.180 4.140 3.960 0.001 0.000 0.278 320 G HA3 0.180 4.140 3.960 0.001 0.000 0.278 320 G C 1.040 175.890 174.900 -0.083 0.000 0.953 320 G CA 0.349 45.394 45.100 -0.092 0.000 1.346 320 G HN 1.667 nan 8.290 nan 0.000 0.467 321 G N -0.069 108.676 108.800 -0.091 0.000 2.498 321 G HA2 -0.275 3.686 3.960 0.001 0.000 0.229 321 G HA3 -0.275 3.686 3.960 0.001 0.000 0.229 321 G C 0.366 175.223 174.900 -0.071 0.000 1.156 321 G CA 0.877 45.934 45.100 -0.072 0.000 0.680 321 G HN 1.059 nan 8.290 nan 0.000 0.512 322 E N 0.478 120.630 120.200 -0.079 0.000 2.231 322 E HA 0.550 4.901 4.350 0.001 0.000 0.277 322 E C 0.120 176.673 176.600 -0.078 0.000 0.999 322 E CA -0.752 55.611 56.400 -0.063 0.000 0.827 322 E CB 1.574 31.250 29.700 -0.041 0.000 1.101 322 E HN 0.379 nan 8.360 nan 0.000 0.393 323 I N 2.551 123.094 120.570 -0.046 0.000 2.452 323 I HA 0.077 4.248 4.170 0.001 0.000 0.287 323 I C 0.482 176.595 176.117 -0.006 0.000 1.079 323 I CA -0.051 61.230 61.300 -0.032 0.000 1.387 323 I CB 0.710 38.697 38.000 -0.023 0.000 1.404 323 I HN 0.484 nan 8.210 nan 0.000 0.522 324 A N 6.198 129.035 122.820 0.029 0.000 2.286 324 A HA 0.299 4.620 4.320 0.001 0.000 0.286 324 A C -0.376 177.250 177.584 0.070 0.000 1.097 324 A CA -0.444 51.652 52.037 0.098 0.000 0.821 324 A CB 0.629 19.808 19.000 0.298 0.000 1.076 324 A HN 0.732 nan 8.150 nan 0.000 0.490 325 D N 1.335 121.783 120.400 0.079 0.000 2.471 325 D HA 0.568 5.208 4.640 0.001 0.000 0.245 325 D C -1.343 175.025 176.300 0.112 0.000 1.116 325 D CA 0.012 54.065 54.000 0.087 0.000 0.853 325 D CB 0.739 41.612 40.800 0.122 0.000 1.123 325 D HN 0.434 nan 8.370 nan 0.000 0.540 326 L N 2.519 123.790 121.223 0.080 0.000 2.371 326 L HA 0.567 4.907 4.340 0.001 0.000 0.262 326 L C -1.190 175.719 176.870 0.065 0.000 1.006 326 L CA -0.997 53.899 54.840 0.094 0.000 0.818 326 L CB 2.473 44.525 42.059 -0.012 0.000 1.354 326 L HN 0.286 nan 8.230 nan 0.000 0.415 327 W N 3.353 124.683 121.300 0.051 0.000 2.475 327 W HA 0.718 5.379 4.660 0.002 0.000 0.320 327 W C -1.030 175.493 176.519 0.006 0.000 1.022 327 W CA -0.166 57.226 57.345 0.078 0.000 1.240 327 W CB 1.332 30.856 29.460 0.106 0.000 1.328 327 W HN 0.088 nan 8.180 nan 0.000 0.439 328 L N 3.470 124.773 121.223 0.132 0.000 2.408 328 L HA 0.533 4.873 4.340 0.001 0.000 0.268 328 L C 0.608 177.419 176.870 -0.098 0.000 0.986 328 L CA -1.129 53.699 54.840 -0.020 0.000 0.820 328 L CB 1.966 43.971 42.059 -0.090 0.000 1.303 328 L HN 0.410 nan 8.230 nan 0.000 0.411 329 S N 0.193 115.727 115.700 -0.278 0.000 2.589 329 S HA 0.044 4.515 4.470 0.001 0.000 0.265 329 S C 1.052 175.401 174.600 -0.419 0.000 1.342 329 S CA -0.413 57.497 58.200 -0.482 0.000 1.005 329 S CB 0.611 63.133 63.200 -1.129 0.000 0.909 329 S HN 0.810 nan 8.310 nan 0.000 0.555 330 N N 0.962 119.405 118.700 -0.429 0.000 2.364 330 N HA -0.125 4.616 4.740 0.001 0.000 0.183 330 N C 1.376 176.680 175.510 -0.342 0.000 1.022 330 N CA 1.082 53.882 53.050 -0.417 0.000 0.883 330 N CB -0.825 37.409 38.487 -0.421 0.000 0.965 330 N HN 0.433 nan 8.380 nan 0.000 0.438 331 V N 2.000 121.617 119.914 -0.495 0.000 2.323 331 V HA -0.169 3.952 4.120 0.001 0.000 0.244 331 V C 2.032 177.879 176.094 -0.411 0.000 1.041 331 V CA 1.791 63.701 62.300 -0.650 0.000 1.025 331 V CB -0.470 30.710 31.823 -1.072 0.000 0.656 331 V HN 0.226 nan 8.190 nan 0.000 0.451 332 D N -0.062 120.107 120.400 -0.385 0.000 2.144 332 D HA -0.119 4.522 4.640 0.001 0.000 0.200 332 D C 2.034 178.202 176.300 -0.219 0.000 0.978 332 D CA 1.072 54.908 54.000 -0.273 0.000 0.833 332 D CB 0.011 40.648 40.800 -0.271 0.000 0.961 332 D HN 0.341 nan 8.370 nan 0.000 0.470 333 L N 1.551 122.652 121.223 -0.204 0.000 2.056 333 L HA -0.116 4.225 4.340 0.001 0.000 0.207 333 L C 2.133 178.943 176.870 -0.099 0.000 1.078 333 L CA 1.710 56.468 54.840 -0.137 0.000 0.749 333 L CB -0.469 41.545 42.059 -0.074 0.000 0.901 333 L HN -0.080 nan 8.230 nan 0.000 0.433 334 E N -0.682 119.460 120.200 -0.098 0.000 2.153 334 E HA -0.213 4.138 4.350 0.001 0.000 0.194 334 E C 2.185 178.768 176.600 -0.028 0.000 0.988 334 E CA 1.247 57.622 56.400 -0.042 0.000 0.811 334 E CB -0.121 29.553 29.700 -0.042 0.000 0.746 334 E HN 0.606 nan 8.360 nan 0.000 0.466 335 L N 0.268 121.450 121.223 -0.068 0.000 2.131 335 L HA -0.095 4.245 4.340 0.001 0.000 0.206 335 L C 2.726 179.506 176.870 -0.151 0.000 1.087 335 L CA 0.712 55.478 54.840 -0.123 0.000 0.767 335 L CB -0.292 41.637 42.059 -0.216 0.000 0.917 335 L HN 0.320 nan 8.230 nan 0.000 0.441 336 M N 0.157 119.665 119.600 -0.152 0.000 2.117 336 M HA -0.253 4.228 4.480 0.001 0.000 0.262 336 M C 2.147 178.418 176.300 -0.048 0.000 1.065 336 M CA 1.845 57.051 55.300 -0.156 0.000 1.114 336 M CB -0.009 32.392 32.600 -0.332 0.000 1.361 336 M HN 0.052 nan 8.290 nan 0.000 0.408 337 K N -0.138 120.225 120.400 -0.062 0.000 2.147 337 K HA -0.212 4.108 4.320 0.001 0.000 0.205 337 K C 1.915 178.486 176.600 -0.047 0.000 1.049 337 K CA 1.724 57.987 56.287 -0.041 0.000 0.936 337 K CB -0.161 32.327 32.500 -0.020 0.000 0.722 337 K HN 0.546 nan 8.250 nan 0.000 0.446 338 E N 0.266 120.447 120.200 -0.032 0.000 2.086 338 E HA -0.127 4.223 4.350 0.001 0.000 0.190 338 E C 1.606 178.003 176.600 -0.338 0.000 0.975 338 E CA 0.730 57.070 56.400 -0.099 0.000 0.813 338 E CB 0.110 29.833 29.700 0.039 0.000 0.768 338 E HN 0.486 nan 8.360 nan 0.000 0.457 339 H N -1.698 117.155 119.070 -0.362 0.000 2.502 339 H HA 0.019 4.576 4.556 0.001 0.000 0.283 339 H C -0.013 175.044 175.328 -0.451 0.000 1.015 339 H CA 0.306 56.043 56.048 -0.518 0.000 1.298 339 H CB 0.435 30.072 29.762 -0.208 0.000 1.411 339 H HN 0.108 nan 8.280 nan 0.000 0.556 340 Y N -0.009 120.183 120.300 -0.181 0.000 2.659 340 Y HA 0.254 4.805 4.550 0.001 0.000 0.333 340 Y C -0.074 175.735 175.900 -0.152 0.000 1.064 340 Y CA -1.478 56.554 58.100 -0.113 0.000 1.141 340 Y CB 1.089 39.520 38.460 -0.047 0.000 1.316 340 Y HN -0.124 nan 8.280 nan 0.000 0.509 341 D N 1.733 122.177 120.400 0.072 0.000 2.349 341 D HA 0.394 5.035 4.640 0.001 0.000 0.232 341 D C -0.984 175.152 176.300 -0.274 0.000 1.071 341 D CA -0.146 53.757 54.000 -0.162 0.000 0.832 341 D CB 1.208 41.903 40.800 -0.176 0.000 1.086 341 D HN 0.346 nan 8.370 nan 0.000 0.504 342 L N 2.850 123.870 121.223 -0.338 0.000 2.289 342 L HA 0.391 4.731 4.340 0.001 0.000 0.285 342 L C -0.522 176.081 176.870 -0.446 0.000 1.049 342 L CA -0.754 53.933 54.840 -0.255 0.000 0.804 342 L CB 0.705 42.687 42.059 -0.128 0.000 1.195 342 L HN 0.259 nan 8.230 nan 0.000 0.428 343 Y N 1.994 122.320 120.300 0.044 0.000 2.409 343 Y HA 0.276 4.827 4.550 0.001 0.000 0.343 343 Y C 0.246 176.138 175.900 -0.013 0.000 0.973 343 Y CA -1.125 56.983 58.100 0.012 0.000 1.064 343 Y CB 1.613 40.076 38.460 0.005 0.000 1.207 343 Y HN 0.607 nan 8.280 nan 0.000 0.452 344 N N 0.677 119.469 118.700 0.154 0.000 2.667 344 N HA -0.161 4.579 4.740 0.001 0.000 0.263 344 N C -1.146 174.360 175.510 -0.007 0.000 1.038 344 N CA 0.375 53.462 53.050 0.063 0.000 0.749 344 N CB -1.100 37.419 38.487 0.052 0.000 0.892 344 N HN 0.285 nan 8.380 nan 0.000 0.546 345 V N 0.411 120.296 119.914 -0.049 0.000 2.479 345 V HA 0.055 4.176 4.120 0.001 0.000 0.281 345 V C 0.968 176.924 176.094 -0.231 0.000 1.031 345 V CA 0.133 62.321 62.300 -0.187 0.000 1.038 345 V CB 1.182 32.860 31.823 -0.241 0.000 0.981 345 V HN 0.299 nan 8.190 nan 0.000 0.478 346 E N 4.549 124.573 120.200 -0.293 0.000 2.145 346 E HA 0.343 4.694 4.350 0.001 0.000 0.262 346 E C -1.515 174.895 176.600 -0.318 0.000 0.883 346 E CA -0.693 55.578 56.400 -0.216 0.000 0.748 346 E CB 0.848 30.464 29.700 -0.140 0.000 1.140 346 E HN 0.649 nan 8.360 nan 0.000 0.417 347 Y N 4.596 124.857 120.300 -0.066 0.000 2.436 347 Y HA 0.149 4.699 4.550 0.001 0.000 0.343 347 Y C 1.024 176.864 175.900 -0.100 0.000 1.008 347 Y CA -0.123 57.938 58.100 -0.066 0.000 1.241 347 Y CB 0.568 39.040 38.460 0.020 0.000 1.153 347 Y HN 0.570 nan 8.280 nan 0.000 0.521 348 I N 1.139 121.642 120.570 -0.113 0.000 2.499 348 I HA 0.009 4.180 4.170 0.001 0.000 0.243 348 I C 0.574 176.660 176.117 -0.051 0.000 1.085 348 I CA 0.646 61.853 61.300 -0.155 0.000 1.422 348 I CB 0.139 37.879 38.000 -0.434 0.000 1.165 348 I HN 0.614 nan 8.210 nan 0.000 0.440 349 S N -0.886 114.758 115.700 -0.093 0.000 2.645 349 S HA 0.689 5.159 4.470 0.001 0.000 0.268 349 S C -0.693 173.687 174.600 -0.367 0.000 1.110 349 S CA -0.261 57.843 58.200 -0.160 0.000 0.823 349 S CB 1.289 64.424 63.200 -0.109 0.000 1.091 349 S HN 0.391 nan 8.310 nan 0.000 0.466 350 G N -0.275 107.942 108.800 -0.972 0.000 2.731 350 G HA2 0.669 4.630 3.960 0.001 0.000 0.309 350 G HA3 0.669 4.630 3.960 0.001 0.000 0.309 350 G C -2.175 172.244 174.900 -0.802 0.000 1.273 350 G CA -0.869 43.767 45.100 -0.773 0.000 0.798 350 G HN 0.990 nan 8.290 nan 0.000 0.509 351 L N 0.319 121.469 121.223 -0.121 0.000 2.410 351 L HA 0.550 4.891 4.340 0.001 0.000 0.270 351 L C -0.379 176.666 176.870 0.291 0.000 0.983 351 L CA -0.811 54.033 54.840 0.007 0.000 0.822 351 L CB 2.489 44.569 42.059 0.035 0.000 1.285 351 L HN 0.324 nan 8.230 nan 0.000 0.409 352 K N 2.213 122.684 120.400 0.119 0.000 2.156 352 K HA 0.759 5.079 4.320 0.001 0.000 0.254 352 K C -1.482 175.046 176.600 -0.121 0.000 0.950 352 K CA -0.555 55.888 56.287 0.259 0.000 0.849 352 K CB 1.949 34.608 32.500 0.264 0.000 1.100 352 K HN 0.201 nan 8.250 nan 0.000 0.434 353 F N 0.671 120.832 119.950 0.351 0.000 2.599 353 F HA 0.396 4.924 4.527 0.001 0.000 0.311 353 F C 0.249 175.987 175.800 -0.104 0.000 1.076 353 F CA -1.089 57.022 58.000 0.184 0.000 0.937 353 F CB 1.310 40.314 39.000 0.006 0.000 1.282 353 F HN 0.150 nan 8.300 nan 0.000 0.460 354 K N 1.078 121.270 120.400 -0.347 0.000 2.168 354 K HA 0.782 5.103 4.320 0.001 0.000 0.258 354 K C -0.587 175.729 176.600 -0.473 0.000 1.010 354 K CA -0.471 55.367 56.287 -0.749 0.000 0.929 354 K CB 0.994 32.764 32.500 -1.217 0.000 0.998 354 K HN 0.738 nan 8.250 nan 0.000 0.479 355 A N 0.623 123.309 122.820 -0.224 0.000 2.587 355 A HA 0.677 4.998 4.320 0.001 0.000 0.293 355 A C -1.003 176.712 177.584 0.219 0.000 1.087 355 A CA -0.541 51.524 52.037 0.048 0.000 0.692 355 A CB 2.245 21.257 19.000 0.020 0.000 1.291 355 A HN 0.567 nan 8.150 nan 0.000 0.407 356 T N -1.170 113.509 114.554 0.208 0.000 2.802 356 T HA 0.556 4.907 4.350 0.001 0.000 0.311 356 T C 0.363 175.094 174.700 0.051 0.000 1.405 356 T CA 0.569 62.731 62.100 0.104 0.000 1.016 356 T CB 1.375 70.249 68.868 0.009 0.000 1.352 356 T HN 1.593 nan 8.240 nan 0.000 0.498 357 T N -1.032 113.526 114.554 0.006 0.000 3.044 357 T HA 0.340 4.691 4.350 0.001 0.000 0.260 357 T C 1.345 176.017 174.700 -0.046 0.000 1.019 357 T CA 0.604 62.696 62.100 -0.013 0.000 0.921 357 T CB 0.192 69.043 68.868 -0.029 0.000 1.053 357 T HN 0.719 nan 8.240 nan 0.000 0.533 358 G N 0.666 109.423 108.800 -0.072 0.000 3.453 358 G HA2 0.370 4.331 3.960 0.001 0.000 0.263 358 G HA3 0.370 4.331 3.960 0.001 0.000 0.263 358 G C 0.972 175.801 174.900 -0.118 0.000 1.060 358 G CA -0.310 44.729 45.100 -0.101 0.000 0.793 358 G HN 0.461 nan 8.290 nan 0.000 0.532 359 L N -0.813 120.306 121.223 -0.172 0.000 2.201 359 L HA 0.174 4.514 4.340 0.001 0.000 0.212 359 L C 1.739 178.437 176.870 -0.287 0.000 1.105 359 L CA 1.039 55.688 54.840 -0.318 0.000 0.775 359 L CB -0.109 41.627 42.059 -0.538 0.000 0.913 359 L HN 0.270 nan 8.230 nan 0.000 0.440 360 F N -1.832 118.235 119.950 0.195 0.000 2.706 360 F HA 0.132 4.659 4.527 0.001 0.000 0.308 360 F C 2.052 178.018 175.800 0.276 0.000 1.095 360 F CA -0.258 57.925 58.000 0.304 0.000 1.244 360 F CB 0.049 39.165 39.000 0.194 0.000 1.063 360 F HN -0.226 nan 8.300 nan 0.000 0.582 361 K N 0.723 121.216 120.400 0.154 0.000 2.032 361 K HA -0.184 4.136 4.320 0.001 0.000 0.209 361 K C 1.276 178.005 176.600 0.215 0.000 1.048 361 K CA 1.853 58.121 56.287 -0.032 0.000 0.927 361 K CB -0.222 32.088 32.500 -0.317 0.000 0.712 361 K HN 0.193 nan 8.250 nan 0.000 0.441 362 D N 0.255 120.779 120.400 0.206 0.000 2.117 362 D HA -0.156 4.484 4.640 0.001 0.000 0.197 362 D C 1.723 178.212 176.300 0.315 0.000 0.987 362 D CA 0.918 55.039 54.000 0.202 0.000 0.829 362 D CB -0.239 40.639 40.800 0.131 0.000 0.961 362 D HN 0.105 nan 8.370 nan 0.000 0.460 363 F N 1.445 121.601 119.950 0.343 0.000 2.134 363 F HA -0.114 4.414 4.527 0.001 0.000 0.299 363 F C 2.165 178.274 175.800 0.515 0.000 1.097 363 F CA 1.142 59.437 58.000 0.491 0.000 1.264 363 F CB -0.136 39.289 39.000 0.709 0.000 1.001 363 F HN -0.147 nan 8.300 nan 0.000 0.479 364 I N -0.104 120.830 120.570 0.608 0.000 2.406 364 I HA -0.208 3.963 4.170 0.001 0.000 0.249 364 I C 1.897 178.217 176.117 0.338 0.000 1.122 364 I CA 0.934 62.527 61.300 0.488 0.000 1.431 364 I CB -0.559 37.839 38.000 0.664 0.000 1.087 364 I HN 0.068 nan 8.210 nan 0.000 0.424 365 D N 1.224 121.828 120.400 0.340 0.000 2.097 365 D HA -0.209 4.431 4.640 0.001 0.000 0.195 365 D C 2.049 178.414 176.300 0.107 0.000 0.989 365 D CA 1.241 55.379 54.000 0.229 0.000 0.827 365 D CB -0.163 40.751 40.800 0.190 0.000 0.966 365 D HN 0.252 nan 8.370 nan 0.000 0.456 366 K N -0.105 120.306 120.400 0.019 0.000 2.001 366 K HA -0.183 4.137 4.320 0.001 0.000 0.214 366 K C 2.116 178.563 176.600 -0.255 0.000 1.050 366 K CA 1.457 57.638 56.287 -0.176 0.000 0.934 366 K CB -0.330 31.989 32.500 -0.301 0.000 0.718 366 K HN 0.154 nan 8.250 nan 0.000 0.443 367 W N 0.557 121.793 121.300 -0.107 0.000 2.678 367 W HA 0.002 4.662 4.660 0.001 0.000 0.256 367 W C 2.084 178.591 176.519 -0.020 0.000 1.280 367 W CA 0.761 58.041 57.345 -0.109 0.000 1.345 367 W CB 0.041 29.332 29.460 -0.282 0.000 1.118 367 W HN 0.143 nan 8.180 nan 0.000 0.629 368 T N -0.938 113.731 114.554 0.190 0.000 2.942 368 T HA -0.200 4.151 4.350 0.001 0.000 0.265 368 T C 1.302 176.072 174.700 0.117 0.000 1.062 368 T CA 1.000 63.186 62.100 0.142 0.000 1.139 368 T CB -0.399 68.538 68.868 0.115 0.000 0.883 368 T HN 0.157 nan 8.240 nan 0.000 0.468 369 Y N 1.939 122.234 120.300 -0.009 0.000 2.133 369 Y HA -0.017 4.533 4.550 0.001 0.000 0.287 369 Y C 1.966 177.839 175.900 -0.045 0.000 1.134 369 Y CA 0.950 59.028 58.100 -0.036 0.000 1.133 369 Y CB -0.471 37.949 38.460 -0.066 0.000 0.987 369 Y HN 0.119 nan 8.280 nan 0.000 0.502 370 I N 0.607 121.181 120.570 0.007 0.000 2.248 370 I HA -0.342 3.829 4.170 0.001 0.000 0.248 370 I C 2.621 178.704 176.117 -0.057 0.000 1.107 370 I CA 1.697 62.950 61.300 -0.079 0.000 1.373 370 I CB -0.511 37.441 38.000 -0.081 0.000 1.055 370 I HN 0.226 nan 8.210 nan 0.000 0.418 371 K N 0.924 121.335 120.400 0.017 0.000 2.057 371 K HA -0.150 4.171 4.320 0.001 0.000 0.206 371 K C 1.956 178.521 176.600 -0.058 0.000 1.050 371 K CA 1.897 58.193 56.287 0.015 0.000 0.935 371 K CB -0.165 32.373 32.500 0.063 0.000 0.715 371 K HN 0.234 nan 8.250 nan 0.000 0.439 372 T N 0.323 114.817 114.554 -0.099 0.000 2.951 372 T HA -0.072 4.279 4.350 0.001 0.000 0.268 372 T C 1.498 176.077 174.700 -0.202 0.000 1.073 372 T CA 1.701 63.722 62.100 -0.131 0.000 1.134 372 T CB -0.140 68.656 68.868 -0.120 0.000 0.884 372 T HN 0.515 nan 8.240 nan 0.000 0.479 373 T N -0.999 113.369 114.554 -0.310 0.000 3.145 373 T HA 0.389 4.740 4.350 0.001 0.000 0.255 373 T C 0.573 175.158 174.700 -0.191 0.000 1.039 373 T CA -0.472 61.435 62.100 -0.321 0.000 0.928 373 T CB 0.161 68.686 68.868 -0.571 0.000 1.029 373 T HN 0.045 nan 8.240 nan 0.000 0.554 374 S N 0.566 116.184 115.700 -0.137 0.000 2.751 374 S HA 0.706 5.176 4.470 0.001 0.000 0.310 374 S C -1.008 173.543 174.600 -0.081 0.000 1.128 374 S CA -0.937 57.206 58.200 -0.094 0.000 0.931 374 S CB 2.553 65.711 63.200 -0.070 0.000 1.177 374 S HN 0.560 nan 8.310 nan 0.000 0.530 375 E N -0.764 119.390 120.200 -0.077 0.000 2.408 375 E HA 0.521 4.871 4.350 0.001 0.000 0.275 375 E C 0.577 177.117 176.600 -0.100 0.000 0.935 375 E CA -0.188 56.166 56.400 -0.077 0.000 0.775 375 E CB 1.445 31.109 29.700 -0.059 0.000 1.277 375 E HN 0.777 nan 8.360 nan 0.000 0.455 376 G N 1.954 110.688 108.800 -0.109 0.000 2.690 376 G HA2 -0.491 3.469 3.960 0.001 0.000 0.334 376 G HA3 -0.491 3.469 3.960 0.001 0.000 0.334 376 G C 1.107 175.818 174.900 -0.314 0.000 1.250 376 G CA 1.672 46.683 45.100 -0.149 0.000 0.994 376 G HN 1.030 nan 8.290 nan 0.000 0.549 377 A N -0.553 122.060 122.820 -0.346 0.000 1.852 377 A HA -0.052 4.268 4.320 0.001 0.000 0.217 377 A C 2.548 179.837 177.584 -0.491 0.000 1.215 377 A CA 3.336 54.978 52.037 -0.658 0.000 0.641 377 A CB -0.574 18.311 19.000 -0.191 0.000 0.838 377 A HN 0.956 nan 8.150 nan 0.000 0.450 378 I N 0.116 120.564 120.570 -0.204 0.000 2.315 378 I HA -0.243 3.927 4.170 0.001 0.000 0.251 378 I C 2.357 178.431 176.117 -0.072 0.000 1.125 378 I CA 2.061 63.312 61.300 -0.082 0.000 1.392 378 I CB -1.175 36.809 38.000 -0.026 0.000 1.065 378 I HN 0.496 nan 8.210 nan 0.000 0.424 379 K N 0.372 120.693 120.400 -0.132 0.000 2.103 379 K HA -0.158 4.162 4.320 0.001 0.000 0.204 379 K C 2.046 178.579 176.600 -0.112 0.000 1.052 379 K CA 0.909 57.141 56.287 -0.093 0.000 0.945 379 K CB 0.196 32.634 32.500 -0.103 0.000 0.722 379 K HN 0.224 nan 8.250 nan 0.000 0.443 380 Q N 0.649 120.297 119.800 -0.254 0.000 2.172 380 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 380 Q C 2.152 178.087 176.000 -0.108 0.000 0.964 380 Q CA 0.912 56.574 55.803 -0.236 0.000 0.855 380 Q CB -0.062 28.377 28.738 -0.498 0.000 0.918 380 Q HN 0.370 nan 8.270 nan 0.000 0.444 381 L N -0.091 121.049 121.223 -0.138 0.000 2.109 381 L HA -0.088 4.253 4.340 0.001 0.000 0.207 381 L C 2.365 179.207 176.870 -0.047 0.000 1.086 381 L CA 0.908 55.728 54.840 -0.032 0.000 0.760 381 L CB -0.589 41.470 42.059 0.001 0.000 0.910 381 L HN 0.096 nan 8.230 nan 0.000 0.437 382 A N 0.339 123.193 122.820 0.056 0.000 1.902 382 A HA -0.208 4.112 4.320 0.001 0.000 0.217 382 A C 2.321 179.936 177.584 0.052 0.000 1.181 382 A CA 1.567 53.709 52.037 0.176 0.000 0.623 382 A CB -0.317 18.863 19.000 0.299 0.000 0.818 382 A HN 0.305 nan 8.150 nan 0.000 0.443 383 K N -0.452 119.979 120.400 0.052 0.000 2.097 383 K HA -0.039 4.282 4.320 0.001 0.000 0.206 383 K C 1.929 178.574 176.600 0.074 0.000 1.049 383 K CA 1.168 57.498 56.287 0.072 0.000 0.933 383 K CB -0.404 32.142 32.500 0.077 0.000 0.717 383 K HN 0.462 nan 8.250 nan 0.000 0.442 384 L N 0.606 121.866 121.223 0.062 0.000 2.046 384 L HA -0.191 4.150 4.340 0.001 0.000 0.208 384 L C 2.552 179.415 176.870 -0.012 0.000 1.077 384 L CA 0.906 55.789 54.840 0.071 0.000 0.747 384 L CB -0.228 41.889 42.059 0.097 0.000 0.896 384 L HN 0.249 nan 8.230 nan 0.000 0.432 385 M N -0.671 118.825 119.600 -0.173 0.000 2.108 385 M HA -0.230 4.251 4.480 0.001 0.000 0.261 385 M C 2.297 178.615 176.300 0.029 0.000 1.066 385 M CA 1.823 56.947 55.300 -0.293 0.000 1.107 385 M CB -1.070 30.841 32.600 -1.149 0.000 1.356 385 M HN 0.246 nan 8.290 nan 0.000 0.406 386 L N -0.189 121.061 121.223 0.046 0.000 2.156 386 L HA -0.180 4.161 4.340 0.001 0.000 0.208 386 L C 1.947 178.948 176.870 0.218 0.000 1.095 386 L CA 0.763 55.735 54.840 0.220 0.000 0.770 386 L CB -0.568 41.597 42.059 0.178 0.000 0.914 386 L HN 0.344 nan 8.230 nan 0.000 0.439 387 N N -1.100 117.698 118.700 0.163 0.000 2.415 387 N HA -0.028 4.713 4.740 0.001 0.000 0.176 387 N C 1.630 177.244 175.510 0.173 0.000 1.042 387 N CA 0.688 53.847 53.050 0.182 0.000 0.902 387 N CB 0.333 38.921 38.487 0.168 0.000 0.986 387 N HN 0.144 nan 8.380 nan 0.000 0.447 388 S N 0.716 116.487 115.700 0.118 0.000 2.548 388 S HA 0.098 4.568 4.470 0.001 0.000 0.215 388 S C 1.703 176.315 174.600 0.020 0.000 0.976 388 S CA -0.265 57.974 58.200 0.065 0.000 0.908 388 S CB 0.298 63.516 63.200 0.030 0.000 0.781 388 S HN 0.109 nan 8.310 nan 0.000 0.519 389 L N 1.603 122.854 121.223 0.048 0.000 2.044 389 L HA 0.002 4.343 4.340 0.001 0.000 0.205 389 L C 2.071 178.941 176.870 0.001 0.000 1.075 389 L CA 1.719 56.539 54.840 -0.034 0.000 0.747 389 L CB -1.098 40.887 42.059 -0.124 0.000 0.903 389 L HN 0.416 nan 8.230 nan 0.000 0.435 390 Y N 0.345 120.612 120.300 -0.055 0.000 2.102 390 Y HA -0.202 4.348 4.550 0.001 0.000 0.280 390 Y C 2.219 178.102 175.900 -0.028 0.000 1.178 390 Y CA 1.937 59.988 58.100 -0.082 0.000 1.146 390 Y CB -1.222 37.075 38.460 -0.272 0.000 0.968 390 Y HN 0.169 nan 8.280 nan 0.000 0.504 391 G N 1.008 109.360 108.800 -0.747 0.000 2.507 391 G HA2 -0.296 3.665 3.960 0.001 0.000 0.221 391 G HA3 -0.296 3.665 3.960 0.001 0.000 0.221 391 G C 1.720 176.332 174.900 -0.480 0.000 1.119 391 G CA 1.083 45.737 45.100 -0.744 0.000 0.751 391 G HN 0.301 nan 8.290 nan 0.000 0.574 392 K N -0.205 119.972 120.400 -0.372 0.000 2.283 392 K HA 0.051 4.371 4.320 0.001 0.000 0.202 392 K C 1.951 178.250 176.600 -0.502 0.000 1.048 392 K CA 0.535 56.573 56.287 -0.415 0.000 0.948 392 K CB -0.290 31.927 32.500 -0.472 0.000 0.742 392 K HN 0.495 nan 8.250 nan 0.000 0.458 393 F N 0.165 119.929 119.950 -0.309 0.000 2.374 393 F HA 0.130 4.657 4.527 0.001 0.000 0.291 393 F C 1.543 177.170 175.800 -0.288 0.000 1.084 393 F CA 0.210 58.060 58.000 -0.250 0.000 1.413 393 F CB -0.121 38.759 39.000 -0.200 0.000 1.099 393 F HN -0.190 nan 8.300 nan 0.000 0.534 394 A N -0.071 122.611 122.820 -0.230 0.000 3.105 394 A HA 0.374 4.695 4.320 0.001 0.000 0.272 394 A C 0.579 177.910 177.584 -0.421 0.000 1.466 394 A CA 0.042 51.845 52.037 -0.390 0.000 1.101 394 A CB -0.790 18.006 19.000 -0.340 0.000 1.065 394 A HN 0.117 nan 8.150 nan 0.000 0.643 395 S N 0.677 116.185 115.700 -0.320 0.000 2.693 395 S HA 0.352 4.823 4.470 0.001 0.000 0.276 395 S C 0.372 174.825 174.600 -0.246 0.000 1.192 395 S CA -0.773 57.271 58.200 -0.261 0.000 0.994 395 S CB 0.369 63.438 63.200 -0.218 0.000 1.012 395 S HN 0.721 nan 8.310 nan 0.000 0.550 396 N N 1.983 120.568 118.700 -0.192 0.000 2.463 396 N HA 0.286 5.027 4.740 0.001 0.000 0.270 396 N C -1.812 173.612 175.510 -0.143 0.000 1.205 396 N CA -1.090 51.861 53.050 -0.166 0.000 0.974 396 N CB -0.027 38.381 38.487 -0.131 0.000 1.197 396 N HN 0.367 nan 8.380 nan 0.000 0.504 397 P HA -0.064 nan 4.420 nan 0.000 0.197 397 P C -0.185 177.060 177.300 -0.092 0.000 1.043 397 P CA 0.802 63.836 63.100 -0.110 0.000 0.815 397 P CB -0.379 31.256 31.700 -0.107 0.000 0.666 398 D N -0.003 120.348 120.400 -0.082 0.000 2.382 398 D HA -0.001 4.640 4.640 0.001 0.000 0.245 398 D C 0.397 176.651 176.300 -0.076 0.000 1.120 398 D CA -0.229 53.729 54.000 -0.070 0.000 0.890 398 D CB 0.946 41.710 40.800 -0.060 0.000 1.201 398 D HN -0.096 nan 8.370 nan 0.000 0.433 399 V N 1.772 121.645 119.914 -0.069 0.000 3.249 399 V HA 0.022 4.142 4.120 0.001 0.000 0.338 399 V C 0.665 176.722 176.094 -0.062 0.000 1.363 399 V CA -0.206 62.047 62.300 -0.078 0.000 1.205 399 V CB -0.734 31.044 31.823 -0.076 0.000 1.164 399 V HN 0.595 nan 8.190 nan 0.000 0.458 400 T N 2.194 116.714 114.554 -0.056 0.000 2.871 400 T HA 0.427 4.777 4.350 0.001 0.000 0.296 400 T C 0.675 175.335 174.700 -0.065 0.000 0.998 400 T CA 0.893 62.962 62.100 -0.051 0.000 1.162 400 T CB 0.928 69.765 68.868 -0.052 0.000 0.947 400 T HN 0.610 nan 8.240 nan 0.000 0.536 401 G N 2.190 110.950 108.800 -0.068 0.000 3.022 401 G HA2 0.598 4.559 3.960 0.001 0.000 0.284 401 G HA3 0.598 4.559 3.960 0.001 0.000 0.284 401 G C -1.192 173.633 174.900 -0.124 0.000 1.375 401 G CA -1.020 44.024 45.100 -0.094 0.000 0.902 401 G HN 0.551 nan 8.290 nan 0.000 0.538 402 K N -0.275 120.024 120.400 -0.169 0.000 2.205 402 K HA 0.529 4.850 4.320 0.001 0.000 0.279 402 K C -0.944 175.539 176.600 -0.195 0.000 1.027 402 K CA -0.376 55.809 56.287 -0.171 0.000 0.932 402 K CB 2.082 34.407 32.500 -0.292 0.000 1.032 402 K HN 0.117 nan 8.250 nan 0.000 0.466 403 V N 5.461 125.259 119.914 -0.193 0.000 2.409 403 V HA 0.281 4.402 4.120 0.001 0.000 0.291 403 V C -1.993 174.002 176.094 -0.165 0.000 1.020 403 V CA -1.957 60.049 62.300 -0.490 0.000 0.848 403 V CB 1.451 32.741 31.823 -0.888 0.000 0.990 403 V HN 0.753 nan 8.190 nan 0.000 0.430 404 P HA 0.455 nan 4.420 nan 0.000 0.278 404 P C -1.688 175.578 177.300 -0.056 0.000 1.258 404 P CA -0.175 62.824 63.100 -0.168 0.000 0.811 404 P CB 1.290 32.988 31.700 -0.003 0.000 1.063 405 Y N -1.166 118.998 120.300 -0.227 0.000 2.641 405 Y HA 0.569 5.120 4.550 0.001 0.000 0.333 405 Y C -2.053 173.770 175.900 -0.130 0.000 1.174 405 Y CA -1.643 56.395 58.100 -0.104 0.000 1.057 405 Y CB 0.296 38.692 38.460 -0.107 0.000 1.322 405 Y HN 0.227 nan 8.280 nan 0.000 0.457 406 L N 3.584 124.846 121.223 0.066 0.000 2.292 406 L HA 0.543 4.884 4.340 0.001 0.000 0.284 406 L C -0.505 176.409 176.870 0.072 0.000 1.065 406 L CA -0.442 54.378 54.840 -0.034 0.000 0.806 406 L CB 0.902 42.971 42.059 0.017 0.000 1.175 406 L HN 0.761 nan 8.230 nan 0.000 0.431 407 K N 3.087 123.460 120.400 -0.044 0.000 2.127 407 K HA 0.149 4.470 4.320 0.001 0.000 0.240 407 K C 0.561 177.179 176.600 0.030 0.000 1.024 407 K CA -0.474 55.846 56.287 0.053 0.000 0.918 407 K CB 0.879 33.369 32.500 -0.016 0.000 1.108 407 K HN 0.683 nan 8.250 nan 0.000 0.485 408 E N 1.137 121.360 120.200 0.038 0.000 2.274 408 E HA -0.170 4.180 4.350 0.001 0.000 0.194 408 E C 1.039 177.640 176.600 0.001 0.000 0.996 408 E CA 1.049 57.460 56.400 0.018 0.000 0.840 408 E CB -0.000 29.711 29.700 0.019 0.000 0.772 408 E HN 0.610 nan 8.360 nan 0.000 0.491 409 N N -1.536 117.161 118.700 -0.006 0.000 2.461 409 N HA 0.027 4.768 4.740 0.001 0.000 0.188 409 N C 1.224 176.717 175.510 -0.029 0.000 1.134 409 N CA 0.534 53.575 53.050 -0.015 0.000 0.878 409 N CB 0.596 39.074 38.487 -0.016 0.000 0.972 409 N HN 0.151 nan 8.380 nan 0.000 0.456 410 G N -0.538 108.241 108.800 -0.036 0.000 2.241 410 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 410 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 410 G C 0.227 175.077 174.900 -0.084 0.000 0.998 410 G CA 0.045 45.115 45.100 -0.050 0.000 0.621 410 G HN 0.742 nan 8.290 nan 0.000 0.519 411 A N 0.170 122.930 122.820 -0.100 0.000 2.271 411 A HA 0.818 5.139 4.320 0.001 0.000 0.288 411 A C 0.556 178.007 177.584 -0.222 0.000 1.094 411 A CA -0.375 51.574 52.037 -0.146 0.000 0.828 411 A CB 0.574 19.500 19.000 -0.123 0.000 1.091 411 A HN 0.787 nan 8.150 nan 0.000 0.493 412 L N 0.737 121.786 121.223 -0.290 0.000 2.395 412 L HA 0.530 4.871 4.340 0.001 0.000 0.269 412 L C 0.939 177.365 176.870 -0.740 0.000 1.133 412 L CA -0.074 54.461 54.840 -0.508 0.000 0.812 412 L CB 1.059 42.826 42.059 -0.488 0.000 1.125 412 L HN 0.831 nan 8.230 nan 0.000 0.452 413 G N 1.132 109.179 108.800 -1.255 0.000 2.630 413 G HA2 0.751 4.712 3.960 0.001 0.000 0.296 413 G HA3 0.751 4.712 3.960 0.001 0.000 0.296 413 G C -1.607 172.429 174.900 -1.441 0.000 1.285 413 G CA -0.384 43.910 45.100 -1.343 0.000 0.958 413 G HN 0.332 nan 8.290 nan 0.000 0.479 414 F N -0.616 119.193 119.950 -0.236 0.000 2.591 414 F HA 0.658 5.185 4.527 0.001 0.000 0.309 414 F C 0.304 176.170 175.800 0.110 0.000 1.098 414 F CA -0.977 56.995 58.000 -0.047 0.000 0.937 414 F CB 2.792 41.742 39.000 -0.083 0.000 1.250 414 F HN 0.671 nan 8.300 nan 0.000 0.447 415 R N 1.703 122.349 120.500 0.243 0.000 2.808 415 R HA 0.760 5.101 4.340 0.001 0.000 0.272 415 R C -1.910 174.395 176.300 0.008 0.000 0.995 415 R CA -1.123 55.044 56.100 0.113 0.000 0.917 415 R CB 1.826 32.154 30.300 0.047 0.000 1.217 415 R HN 0.600 nan 8.270 nan 0.000 0.471 416 L N 1.793 123.009 121.223 -0.011 0.000 2.490 416 L HA 0.318 4.658 4.340 0.001 0.000 0.274 416 L C 0.294 177.115 176.870 -0.081 0.000 1.201 416 L CA 0.960 55.772 54.840 -0.047 0.000 0.869 416 L CB 0.926 42.965 42.059 -0.033 0.000 1.123 416 L HN 0.865 nan 8.230 nan 0.000 0.484 417 G N 3.495 112.233 108.800 -0.104 0.000 2.504 417 G HA2 0.260 4.220 3.960 0.001 0.000 0.288 417 G HA3 0.260 4.220 3.960 0.001 0.000 0.288 417 G C -0.419 174.450 174.900 -0.052 0.000 1.182 417 G CA -0.603 44.428 45.100 -0.115 0.000 0.894 417 G HN 0.749 nan 8.290 nan 0.000 0.521 418 E N -0.367 119.821 120.200 -0.021 0.000 2.458 418 E HA 0.015 4.365 4.350 0.001 0.000 0.264 418 E C 0.732 177.330 176.600 -0.003 0.000 1.097 418 E CA 0.253 56.652 56.400 -0.001 0.000 0.973 418 E CB 0.589 30.304 29.700 0.026 0.000 0.963 418 E HN 0.560 nan 8.360 nan 0.000 0.451 419 E N 1.686 121.881 120.200 -0.007 0.000 2.459 419 E HA -0.124 4.227 4.350 0.001 0.000 0.264 419 E C -0.577 176.019 176.600 -0.006 0.000 1.055 419 E CA 0.562 56.955 56.400 -0.012 0.000 0.957 419 E CB 0.537 30.229 29.700 -0.013 0.000 0.952 419 E HN 0.418 nan 8.360 nan 0.000 0.448 420 E N 1.681 121.873 120.200 -0.014 0.000 2.451 420 E HA 0.188 4.538 4.350 0.001 0.000 0.295 420 E C -1.907 174.677 176.600 -0.026 0.000 0.966 420 E CA -0.464 55.929 56.400 -0.011 0.000 0.808 420 E CB 1.885 31.585 29.700 0.000 0.000 1.242 420 E HN 0.400 nan 8.360 nan 0.000 0.412 421 T N 2.529 117.067 114.554 -0.026 0.000 2.909 421 T HA 0.527 4.878 4.350 0.001 0.000 0.299 421 T C -0.708 173.971 174.700 -0.035 0.000 1.073 421 T CA -0.519 61.558 62.100 -0.037 0.000 0.999 421 T CB 1.124 69.969 68.868 -0.038 0.000 1.098 421 T HN 0.540 nan 8.240 nan 0.000 0.477 422 K N 2.364 122.737 120.400 -0.045 0.000 2.264 422 K HA 0.763 5.084 4.320 0.001 0.000 0.272 422 K C -1.181 175.398 176.600 -0.034 0.000 1.003 422 K CA -0.826 55.438 56.287 -0.039 0.000 1.266 422 K CB 0.400 32.868 32.500 -0.054 0.000 1.820 422 K HN 0.392 nan 8.250 nan 0.000 0.818 423 D N 1.260 121.643 120.400 -0.029 0.000 2.629 423 D HA 0.379 5.020 4.640 0.001 0.000 0.250 423 D C -2.625 173.662 176.300 -0.021 0.000 1.126 423 D CA -1.197 52.794 54.000 -0.014 0.000 0.852 423 D CB 1.586 42.394 40.800 0.013 0.000 1.335 423 D HN 0.239 nan 8.370 nan 0.000 0.518 424 P HA 0.018 nan 4.420 nan 0.000 0.269 424 P C 0.442 177.747 177.300 0.008 0.000 1.215 424 P CA -0.411 62.666 63.100 -0.039 0.000 0.780 424 P CB 0.924 32.597 31.700 -0.045 0.000 0.898 425 V N 1.000 120.900 119.914 -0.022 0.000 2.278 425 V HA -0.086 4.035 4.120 0.001 0.000 0.231 425 V C 0.249 176.446 176.094 0.171 0.000 1.048 425 V CA 1.266 63.578 62.300 0.021 0.000 1.015 425 V CB -0.682 31.036 31.823 -0.176 0.000 0.652 425 V HN 0.513 nan 8.190 nan 0.000 0.466 426 Y N -0.288 120.013 120.300 0.002 0.000 2.441 426 Y HA 0.305 4.856 4.550 0.001 0.000 0.345 426 Y C 1.007 176.967 175.900 0.100 0.000 1.129 426 Y CA -0.625 57.528 58.100 0.088 0.000 1.333 426 Y CB 0.849 39.358 38.460 0.081 0.000 1.104 426 Y HN 0.152 nan 8.280 nan 0.000 0.551 427 T N 4.588 119.028 114.554 -0.190 0.000 2.685 427 T HA -0.135 4.216 4.350 0.001 0.000 0.268 427 T C -0.968 173.601 174.700 -0.219 0.000 1.034 427 T CA 2.271 64.258 62.100 -0.188 0.000 1.149 427 T CB -0.628 68.130 68.868 -0.183 0.000 0.860 427 T HN 0.447 nan 8.240 nan 0.000 0.449 428 P HA -0.079 nan 4.420 nan 0.000 0.217 428 P C 1.506 178.743 177.300 -0.104 0.000 1.148 428 P CA 0.888 63.763 63.100 -0.375 0.000 0.828 428 P CB -0.076 31.205 31.700 -0.699 0.000 0.783 429 M N -0.363 119.198 119.600 -0.065 0.000 2.099 429 M HA 0.032 4.513 4.480 0.001 0.000 0.262 429 M C 2.013 178.358 176.300 0.074 0.000 1.067 429 M CA 2.056 57.387 55.300 0.051 0.000 1.124 429 M CB -1.653 30.864 32.600 -0.138 0.000 1.353 429 M HN -0.110 nan 8.290 nan 0.000 0.410 430 G N -1.057 107.803 108.800 0.100 0.000 2.432 430 G HA2 -0.117 3.844 3.960 0.001 0.000 0.219 430 G HA3 -0.117 3.844 3.960 0.001 0.000 0.219 430 G C 1.446 176.532 174.900 0.309 0.000 1.135 430 G CA 1.051 46.270 45.100 0.198 0.000 0.767 430 G HN 0.404 nan 8.290 nan 0.000 0.550 431 V N 0.128 120.176 119.914 0.223 0.000 2.295 431 V HA -0.108 4.012 4.120 0.001 0.000 0.246 431 V C 2.435 178.472 176.094 -0.094 0.000 1.049 431 V CA 1.563 63.932 62.300 0.115 0.000 1.024 431 V CB -0.552 31.255 31.823 -0.027 0.000 0.648 431 V HN 0.336 nan 8.190 nan 0.000 0.447 432 F N -0.745 119.191 119.950 -0.024 0.000 2.367 432 F HA 0.058 4.585 4.527 0.001 0.000 0.298 432 F C 2.075 177.955 175.800 0.134 0.000 1.094 432 F CA 1.038 59.023 58.000 -0.025 0.000 1.409 432 F CB -0.338 38.665 39.000 0.005 0.000 1.064 432 F HN 0.061 nan 8.300 nan 0.000 0.528 433 I N -0.325 120.416 120.570 0.285 0.000 2.252 433 I HA -0.260 3.910 4.170 0.001 0.000 0.245 433 I C 2.566 178.799 176.117 0.194 0.000 1.102 433 I CA 1.797 63.242 61.300 0.242 0.000 1.385 433 I CB -0.743 37.311 38.000 0.089 0.000 1.064 433 I HN 0.196 nan 8.210 nan 0.000 0.414 434 T N -0.876 113.742 114.554 0.108 0.000 2.857 434 T HA -0.015 4.336 4.350 0.001 0.000 0.266 434 T C 2.016 176.739 174.700 0.039 0.000 1.048 434 T CA 0.841 62.995 62.100 0.089 0.000 1.139 434 T CB -0.403 68.465 68.868 -0.001 0.000 0.874 434 T HN 0.299 nan 8.240 nan 0.000 0.455 435 A N 0.925 123.689 122.820 -0.093 0.000 1.877 435 A HA 0.004 4.325 4.320 0.001 0.000 0.216 435 A C 2.141 179.659 177.584 -0.109 0.000 1.186 435 A CA 1.350 53.249 52.037 -0.231 0.000 0.620 435 A CB -1.482 17.192 19.000 -0.543 0.000 0.822 435 A HN 0.734 nan 8.150 nan 0.000 0.443 436 W N -0.380 120.937 121.300 0.028 0.000 2.374 436 W HA -0.052 4.609 4.660 0.001 0.000 0.288 436 W C 2.739 179.331 176.519 0.122 0.000 1.218 436 W CA 1.096 58.492 57.345 0.085 0.000 1.245 436 W CB -0.025 29.488 29.460 0.089 0.000 1.126 436 W HN 0.427 nan 8.180 nan 0.000 0.545 437 A N 0.513 123.527 122.820 0.323 0.000 1.902 437 A HA -0.178 4.143 4.320 0.001 0.000 0.217 437 A C 1.968 179.630 177.584 0.130 0.000 1.181 437 A CA 1.507 53.653 52.037 0.181 0.000 0.623 437 A CB -0.632 18.496 19.000 0.214 0.000 0.818 437 A HN 0.265 nan 8.150 nan 0.000 0.443 438 R N -2.308 118.266 120.500 0.123 0.000 2.073 438 R HA -0.107 4.234 4.340 0.001 0.000 0.229 438 R C 2.153 178.468 176.300 0.025 0.000 1.120 438 R CA 1.504 57.643 56.100 0.066 0.000 0.967 438 R CB -0.527 29.789 30.300 0.026 0.000 0.862 438 R HN 0.688 nan 8.270 nan 0.000 0.436 439 Y N 1.875 122.149 120.300 -0.044 0.000 2.207 439 Y HA -0.237 4.314 4.550 0.001 0.000 0.287 439 Y C 2.185 178.122 175.900 0.062 0.000 1.156 439 Y CA 1.820 59.901 58.100 -0.031 0.000 1.182 439 Y CB -0.262 38.204 38.460 0.011 0.000 0.979 439 Y HN -0.065 nan 8.280 nan 0.000 0.521 440 T N -0.775 113.899 114.554 0.200 0.000 2.708 440 T HA -0.169 4.182 4.350 0.001 0.000 0.266 440 T C 1.769 176.595 174.700 0.209 0.000 1.037 440 T CA 2.114 64.303 62.100 0.149 0.000 1.146 440 T CB -0.583 68.344 68.868 0.099 0.000 0.865 440 T HN 0.380 nan 8.240 nan 0.000 0.435 441 T N 2.040 116.714 114.554 0.201 0.000 2.737 441 T HA 0.096 4.447 4.350 0.001 0.000 0.265 441 T C 2.016 176.759 174.700 0.071 0.000 1.038 441 T CA 0.756 63.055 62.100 0.331 0.000 1.144 441 T CB -0.350 68.688 68.868 0.283 0.000 0.866 441 T HN 0.272 nan 8.240 nan 0.000 0.434 442 I N 1.861 122.328 120.570 -0.172 0.000 2.142 442 I HA -0.208 3.963 4.170 0.001 0.000 0.240 442 I C 2.970 178.938 176.117 -0.249 0.000 1.078 442 I CA 1.740 62.806 61.300 -0.389 0.000 1.343 442 I CB -0.822 36.803 38.000 -0.625 0.000 1.046 442 I HN 0.415 nan 8.210 nan 0.000 0.405 443 T N -0.728 113.657 114.554 -0.282 0.000 2.881 443 T HA -0.096 4.255 4.350 0.001 0.000 0.270 443 T C 1.876 176.479 174.700 -0.161 0.000 1.068 443 T CA 1.027 62.979 62.100 -0.247 0.000 1.131 443 T CB -0.393 68.214 68.868 -0.436 0.000 0.871 443 T HN 0.367 nan 8.240 nan 0.000 0.479 444 A N 1.674 124.414 122.820 -0.134 0.000 1.897 444 A HA 0.513 4.834 4.320 0.001 0.000 0.215 444 A C 2.806 180.224 177.584 -0.277 0.000 1.181 444 A CA 1.409 53.301 52.037 -0.242 0.000 0.620 444 A CB -1.285 17.483 19.000 -0.386 0.000 0.821 444 A HN 0.694 nan 8.150 nan 0.000 0.443 445 A N -0.925 121.780 122.820 -0.191 0.000 1.898 445 A HA -0.153 4.168 4.320 0.001 0.000 0.216 445 A C 2.136 179.696 177.584 -0.040 0.000 1.181 445 A CA 2.008 53.984 52.037 -0.101 0.000 0.620 445 A CB -0.468 18.540 19.000 0.013 0.000 0.819 445 A HN 0.498 nan 8.150 nan 0.000 0.442 446 Q N -0.077 119.685 119.800 -0.063 0.000 2.167 446 Q HA 0.042 4.382 4.340 0.001 0.000 0.202 446 Q C 1.860 177.806 176.000 -0.089 0.000 0.970 446 Q CA 1.735 57.495 55.803 -0.071 0.000 0.855 446 Q CB -0.570 28.111 28.738 -0.094 0.000 0.911 446 Q HN 0.558 nan 8.270 nan 0.000 0.438 447 A N -1.357 121.397 122.820 -0.110 0.000 2.119 447 A HA -0.048 4.272 4.320 0.001 0.000 0.217 447 A C 1.438 178.961 177.584 -0.102 0.000 1.153 447 A CA 1.069 53.037 52.037 -0.114 0.000 0.692 447 A CB -0.236 18.682 19.000 -0.136 0.000 0.799 447 A HN 0.477 nan 8.150 nan 0.000 0.458 448 C N -1.580 117.662 119.300 -0.096 0.000 2.638 448 C HA 0.296 4.757 4.460 0.001 0.000 0.282 448 C C 1.482 176.464 174.990 -0.012 0.000 1.473 448 C CA -0.858 58.107 59.018 -0.087 0.000 1.781 448 C CB -2.361 25.283 27.740 -0.159 0.000 2.780 448 C HN 0.666 nan 8.230 nan 0.000 0.531 449 Y N 2.796 123.029 120.300 -0.111 0.000 2.139 449 Y HA -0.264 4.287 4.550 0.001 0.000 0.282 449 Y C 1.868 177.760 175.900 -0.014 0.000 1.179 449 Y CA 2.133 60.187 58.100 -0.077 0.000 1.161 449 Y CB -0.149 38.212 38.460 -0.165 0.000 0.970 449 Y HN 0.352 nan 8.280 nan 0.000 0.511 450 D N -0.382 119.990 120.400 -0.047 0.000 2.149 450 D HA -0.158 4.483 4.640 0.001 0.000 0.198 450 D C 1.787 178.053 176.300 -0.058 0.000 0.990 450 D CA 1.617 55.570 54.000 -0.079 0.000 0.839 450 D CB -0.185 40.606 40.800 -0.015 0.000 0.948 450 D HN 0.453 nan 8.370 nan 0.000 0.460 451 R N -0.540 119.928 120.500 -0.054 0.000 2.397 451 R HA 0.221 4.561 4.340 0.001 0.000 0.241 451 R C 0.235 176.461 176.300 -0.124 0.000 0.914 451 R CA -0.519 55.557 56.100 -0.041 0.000 1.071 451 R CB 0.719 30.996 30.300 -0.037 0.000 1.116 451 R HN 0.035 nan 8.270 nan 0.000 0.524 452 I N 1.168 121.662 120.570 -0.127 0.000 2.533 452 I HA 0.002 4.172 4.170 0.001 0.000 0.284 452 I C 0.778 176.688 176.117 -0.346 0.000 1.109 452 I CA 0.307 61.525 61.300 -0.137 0.000 1.412 452 I CB 0.524 38.545 38.000 0.035 0.000 1.396 452 I HN 0.070 nan 8.210 nan 0.000 0.543 453 I N 6.886 127.179 120.570 -0.461 0.000 3.366 453 I HA 0.168 4.339 4.170 0.001 0.000 0.267 453 I C -0.490 175.309 176.117 -0.530 0.000 1.149 453 I CA -0.129 60.692 61.300 -0.797 0.000 1.436 453 I CB 0.042 37.474 38.000 -0.946 0.000 1.379 453 I HN 0.531 nan 8.210 nan 0.000 0.460 454 Y N 0.232 120.228 120.300 -0.507 0.000 2.597 454 Y HA 0.594 5.145 4.550 0.001 0.000 0.340 454 Y C -1.525 174.220 175.900 -0.258 0.000 1.097 454 Y CA -1.526 56.291 58.100 -0.471 0.000 1.037 454 Y CB 1.899 39.953 38.460 -0.677 0.000 1.305 454 Y HN -0.045 nan 8.280 nan 0.000 0.463 455 C N 3.036 121.851 119.300 -0.808 0.000 2.698 455 C HA 0.536 4.997 4.460 0.001 0.000 0.309 455 C C -1.499 173.018 174.990 -0.788 0.000 1.186 455 C CA -0.725 58.008 59.018 -0.475 0.000 1.474 455 C CB 1.648 29.440 27.740 0.086 0.000 2.020 455 C HN 0.770 nan 8.230 nan 0.000 0.474 456 D N 1.090 121.284 120.400 -0.344 0.000 2.472 456 D HA 0.323 4.964 4.640 0.001 0.000 0.248 456 D C 0.768 177.088 176.300 0.034 0.000 1.271 456 D CA 0.324 54.223 54.000 -0.169 0.000 0.888 456 D CB 0.692 41.481 40.800 -0.018 0.000 1.337 456 D HN 0.765 nan 8.370 nan 0.000 0.526 457 T N 1.646 116.244 114.554 0.073 0.000 12.971 457 T HA -0.320 4.031 4.350 0.001 0.000 0.419 457 T C 0.725 175.460 174.700 0.058 0.000 1.442 457 T CA 2.172 64.324 62.100 0.087 0.000 2.370 457 T CB -1.030 67.868 68.868 0.051 0.000 2.822 457 T HN 0.579 nan 8.240 nan 0.000 0.691 458 D N 1.774 122.203 120.400 0.049 0.000 2.501 458 D HA 0.412 5.052 4.640 0.001 0.000 0.224 458 D C 0.237 176.672 176.300 0.224 0.000 1.202 458 D CA 0.533 54.547 54.000 0.024 0.000 0.829 458 D CB 0.099 40.837 40.800 -0.102 0.000 1.023 458 D HN 0.760 nan 8.370 nan 0.000 0.499 459 S N -0.662 115.234 115.700 0.328 0.000 2.588 459 S HA 0.734 5.204 4.470 0.001 0.000 0.275 459 S C -0.944 173.888 174.600 0.386 0.000 1.130 459 S CA -0.914 57.571 58.200 0.475 0.000 0.855 459 S CB 1.768 65.220 63.200 0.420 0.000 1.116 459 S HN 0.114 nan 8.310 nan 0.000 0.472 460 I N 1.890 122.721 120.570 0.434 0.000 2.498 460 I HA 0.393 4.563 4.170 0.001 0.000 0.290 460 I C -0.787 175.623 176.117 0.487 0.000 1.032 460 I CA -0.639 60.816 61.300 0.259 0.000 1.073 460 I CB 2.140 40.122 38.000 -0.029 0.000 1.251 460 I HN 0.767 nan 8.210 nan 0.000 0.426 461 H N 6.743 125.893 119.070 0.134 0.000 2.551 461 H HA 0.557 5.114 4.556 0.001 0.000 0.321 461 H C -0.974 174.350 175.328 -0.006 0.000 1.028 461 H CA -0.833 55.289 56.048 0.125 0.000 1.215 461 H CB 1.574 31.406 29.762 0.116 0.000 1.414 461 H HN 0.267 nan 8.280 nan 0.000 0.480 462 L N 2.476 123.781 121.223 0.136 0.000 2.333 462 L HA 0.358 4.698 4.340 0.001 0.000 0.269 462 L C 0.807 177.640 176.870 -0.062 0.000 1.010 462 L CA -1.031 53.809 54.840 0.002 0.000 0.818 462 L CB 2.032 44.130 42.059 0.064 0.000 1.306 462 L HN 0.617 nan 8.230 nan 0.000 0.430 463 T N -1.113 113.382 114.554 -0.099 0.000 2.828 463 T HA 0.656 5.007 4.350 0.001 0.000 0.290 463 T C 0.434 175.104 174.700 -0.051 0.000 1.019 463 T CA 0.143 62.210 62.100 -0.055 0.000 1.031 463 T CB 1.483 70.367 68.868 0.027 0.000 1.001 463 T HN 1.149 nan 8.240 nan 0.000 0.531 464 G N 0.321 109.091 108.800 -0.050 0.000 2.795 464 G HA2 0.041 4.002 3.960 0.001 0.000 0.664 464 G HA3 0.041 4.002 3.960 0.001 0.000 0.664 464 G C 0.329 175.181 174.900 -0.080 0.000 1.381 464 G CA 0.382 45.457 45.100 -0.041 0.000 0.853 464 G HN 1.936 nan 8.290 nan 0.000 0.545 465 T N -3.058 111.464 114.554 -0.053 0.000 3.111 465 T HA 0.435 4.786 4.350 0.001 0.000 0.284 465 T C 0.060 174.730 174.700 -0.050 0.000 0.983 465 T CA 0.598 62.662 62.100 -0.060 0.000 0.900 465 T CB 0.584 69.419 68.868 -0.055 0.000 1.132 465 T HN 0.547 nan 8.240 nan 0.000 0.531 466 E N 1.797 121.979 120.200 -0.030 0.000 2.134 466 E HA 0.408 4.759 4.350 0.001 0.000 0.278 466 E C -0.019 176.583 176.600 0.004 0.000 0.959 466 E CA -0.760 55.623 56.400 -0.028 0.000 0.783 466 E CB 1.760 31.446 29.700 -0.024 0.000 1.095 466 E HN 0.525 nan 8.360 nan 0.000 0.399 467 I N 5.099 125.673 120.570 0.005 0.000 2.828 467 I HA -0.077 4.093 4.170 0.001 0.000 0.292 467 I C -1.848 174.254 176.117 -0.025 0.000 1.206 467 I CA -1.008 60.333 61.300 0.069 0.000 1.420 467 I CB -0.188 37.842 38.000 0.051 0.000 1.368 467 I HN 0.097 nan 8.210 nan 0.000 0.556 468 P HA -0.054 nan 4.420 nan 0.000 0.267 468 P C 0.472 177.712 177.300 -0.100 0.000 1.200 468 P CA -0.061 62.974 63.100 -0.108 0.000 0.772 468 P CB 0.599 32.195 31.700 -0.172 0.000 0.855 469 D N 1.444 121.802 120.400 -0.070 0.000 2.117 469 D HA -0.130 4.511 4.640 0.001 0.000 0.197 469 D C 1.594 177.856 176.300 -0.063 0.000 0.987 469 D CA 1.450 55.419 54.000 -0.052 0.000 0.829 469 D CB 0.023 40.800 40.800 -0.037 0.000 0.961 469 D HN 0.199 nan 8.370 nan 0.000 0.460 470 V N -0.784 119.081 119.914 -0.083 0.000 3.078 470 V HA -0.109 4.011 4.120 0.001 0.000 0.265 470 V C 1.875 177.900 176.094 -0.116 0.000 1.122 470 V CA 0.843 63.090 62.300 -0.088 0.000 1.141 470 V CB -0.405 31.360 31.823 -0.096 0.000 0.735 470 V HN 0.118 nan 8.190 nan 0.000 0.498 471 I N -0.554 119.920 120.570 -0.159 0.000 4.070 471 I HA 0.138 4.309 4.170 0.001 0.000 0.328 471 I C 2.241 178.300 176.117 -0.098 0.000 1.298 471 I CA 0.248 61.423 61.300 -0.209 0.000 1.173 471 I CB -0.547 37.192 38.000 -0.435 0.000 1.051 471 I HN 0.315 nan 8.210 nan 0.000 0.409 472 K N 1.254 121.621 120.400 -0.054 0.000 2.034 472 K HA -0.225 4.096 4.320 0.001 0.000 0.214 472 K C 1.199 177.837 176.600 0.065 0.000 1.051 472 K CA 1.835 58.128 56.287 0.010 0.000 0.931 472 K CB -0.112 32.391 32.500 0.004 0.000 0.715 472 K HN 0.226 nan 8.250 nan 0.000 0.446 473 D N 0.574 121.009 120.400 0.058 0.000 2.392 473 D HA -0.064 4.577 4.640 0.001 0.000 0.228 473 D C 1.287 177.688 176.300 0.168 0.000 1.003 473 D CA 0.841 54.902 54.000 0.103 0.000 0.917 473 D CB 0.077 40.917 40.800 0.067 0.000 0.890 473 D HN 0.466 nan 8.370 nan 0.000 0.532 474 I N -3.330 117.334 120.570 0.156 0.000 3.966 474 I HA 0.221 4.391 4.170 0.001 0.000 0.324 474 I C -0.404 175.947 176.117 0.390 0.000 1.517 474 I CA -0.384 61.017 61.300 0.168 0.000 1.117 474 I CB 0.682 38.723 38.000 0.068 0.000 1.190 474 I HN -0.396 nan 8.210 nan 0.000 0.466 475 V N 2.204 122.345 119.914 0.379 0.000 2.427 475 V HA 0.548 4.668 4.120 0.001 0.000 0.286 475 V C -0.706 175.605 176.094 0.362 0.000 1.034 475 V CA -0.097 62.446 62.300 0.405 0.000 0.893 475 V CB 1.584 33.589 31.823 0.303 0.000 0.982 475 V HN 0.337 nan 8.190 nan 0.000 0.452 476 D N 4.761 125.360 120.400 0.332 0.000 2.836 476 D HA 0.290 4.930 4.640 0.001 0.000 0.215 476 D C -2.465 173.918 176.300 0.139 0.000 1.255 476 D CA -1.160 52.923 54.000 0.140 0.000 0.822 476 D CB 3.360 44.092 40.800 -0.113 0.000 1.656 476 D HN 0.145 nan 8.370 nan 0.000 0.511 477 P HA -0.087 nan 4.420 nan 0.000 0.219 477 P C 0.667 177.998 177.300 0.052 0.000 1.146 477 P CA 1.644 64.793 63.100 0.082 0.000 0.808 477 P CB 0.278 32.012 31.700 0.057 0.000 0.779 478 K N -3.290 117.119 120.400 0.014 0.000 2.562 478 K HA 0.178 4.499 4.320 0.001 0.000 0.218 478 K C 0.532 177.117 176.600 -0.025 0.000 1.374 478 K CA -0.372 55.914 56.287 -0.002 0.000 0.996 478 K CB 0.171 32.663 32.500 -0.013 0.000 1.127 478 K HN -0.191 nan 8.250 nan 0.000 0.603 479 K N 2.041 122.396 120.400 -0.075 0.000 2.451 479 K HA 0.062 4.383 4.320 0.001 0.000 0.280 479 K C -0.307 176.315 176.600 0.035 0.000 1.020 479 K CA -0.388 55.831 56.287 -0.113 0.000 1.008 479 K CB 0.444 32.671 32.500 -0.455 0.000 0.917 479 K HN 0.105 nan 8.250 nan 0.000 0.478 480 L N 4.125 125.356 121.223 0.012 0.000 2.559 480 L HA 0.043 4.384 4.340 0.001 0.000 0.274 480 L C 1.136 178.060 176.870 0.091 0.000 1.205 480 L CA 2.007 56.851 54.840 0.007 0.000 0.907 480 L CB 0.218 42.213 42.059 -0.107 0.000 1.153 480 L HN 0.963 nan 8.230 nan 0.000 0.490 481 G N 2.364 111.168 108.800 0.008 0.000 2.234 481 G HA2 -0.343 3.618 3.960 0.001 0.000 0.260 481 G HA3 -0.343 3.618 3.960 0.001 0.000 0.260 481 G C 0.241 175.047 174.900 -0.157 0.000 0.987 481 G CA 0.399 45.450 45.100 -0.081 0.000 0.625 481 G HN 0.614 nan 8.290 nan 0.000 0.532 482 Y N -0.819 119.401 120.300 -0.133 0.000 2.316 482 Y HA 0.528 5.079 4.550 0.001 0.000 0.324 482 Y C 0.594 176.439 175.900 -0.091 0.000 1.267 482 Y CA -0.840 57.219 58.100 -0.068 0.000 1.311 482 Y CB 0.599 39.081 38.460 0.036 0.000 1.267 482 Y HN 0.158 nan 8.280 nan 0.000 0.516 483 W N 1.813 123.244 121.300 0.218 0.000 2.335 483 W HA 0.550 5.211 4.660 0.001 0.000 0.306 483 W C -0.429 176.274 176.519 0.307 0.000 1.216 483 W CA -0.441 57.039 57.345 0.225 0.000 1.237 483 W CB 0.603 30.158 29.460 0.158 0.000 1.243 483 W HN 0.433 nan 8.180 nan 0.000 0.493 484 A N 3.024 126.125 122.820 0.469 0.000 2.274 484 A HA 0.267 4.587 4.320 0.001 0.000 0.309 484 A C -0.952 176.859 177.584 0.378 0.000 1.226 484 A CA -0.720 51.529 52.037 0.353 0.000 0.853 484 A CB 0.116 19.236 19.000 0.200 0.000 1.146 484 A HN 0.636 nan 8.150 nan 0.000 0.518 485 H N 1.711 120.892 119.070 0.184 0.000 3.017 485 H HA 0.183 4.739 4.556 0.001 0.000 0.276 485 H C 0.728 175.990 175.328 -0.110 0.000 1.062 485 H CA 0.587 56.542 56.048 -0.154 0.000 1.486 485 H CB 0.426 30.104 29.762 -0.142 0.000 1.507 485 H HN 0.778 nan 8.280 nan 0.000 0.508 486 E N 2.798 122.766 120.200 -0.386 0.000 2.415 486 E HA 0.088 4.439 4.350 0.001 0.000 0.197 486 E C -0.346 176.044 176.600 -0.351 0.000 1.007 486 E CA 0.604 56.848 56.400 -0.259 0.000 0.890 486 E CB 0.390 30.048 29.700 -0.070 0.000 0.891 486 E HN 0.747 nan 8.360 nan 0.000 0.496 487 S N -1.238 114.104 115.700 -0.597 0.000 2.688 487 S HA 0.270 4.740 4.470 0.001 0.000 0.269 487 S C -0.756 173.638 174.600 -0.345 0.000 1.060 487 S CA -1.100 56.877 58.200 -0.373 0.000 0.844 487 S CB 1.824 64.936 63.200 -0.146 0.000 1.095 487 S HN -0.100 nan 8.310 nan 0.000 0.466 488 T N 2.066 116.558 114.554 -0.103 0.000 2.893 488 T HA 0.753 5.104 4.350 0.001 0.000 0.293 488 T C -1.116 173.627 174.700 0.072 0.000 1.027 488 T CA -0.640 61.445 62.100 -0.026 0.000 0.988 488 T CB 0.806 69.747 68.868 0.122 0.000 1.043 488 T HN 0.843 nan 8.240 nan 0.000 0.461 489 F N 0.321 120.261 119.950 -0.016 0.000 2.546 489 F HA 0.699 5.227 4.527 0.001 0.000 0.320 489 F C 0.979 176.639 175.800 -0.233 0.000 1.076 489 F CA -1.664 56.205 58.000 -0.219 0.000 0.928 489 F CB 1.614 40.531 39.000 -0.139 0.000 1.189 489 F HN 0.522 nan 8.300 nan 0.000 0.465 490 K N 1.216 121.455 120.400 -0.268 0.000 2.167 490 K HA 0.119 4.440 4.320 0.001 0.000 0.203 490 K C -0.212 176.465 176.600 0.128 0.000 1.052 490 K CA 0.926 57.129 56.287 -0.140 0.000 0.956 490 K CB 0.261 32.539 32.500 -0.369 0.000 0.735 490 K HN 0.924 nan 8.250 nan 0.000 0.451 491 R N -1.781 118.847 120.500 0.213 0.000 2.712 491 R HA 0.659 4.999 4.340 0.001 0.000 0.272 491 R C -1.832 174.531 176.300 0.105 0.000 1.032 491 R CA -0.926 55.277 56.100 0.171 0.000 0.874 491 R CB 1.316 31.538 30.300 -0.129 0.000 1.256 491 R HN -0.002 nan 8.270 nan 0.000 0.468 492 A N 0.917 123.831 122.820 0.158 0.000 2.564 492 A HA 0.756 5.077 4.320 0.001 0.000 0.291 492 A C -1.734 175.925 177.584 0.126 0.000 1.102 492 A CA -0.911 51.099 52.037 -0.045 0.000 0.660 492 A CB 2.235 20.705 19.000 -0.885 0.000 1.283 492 A HN 0.673 nan 8.150 nan 0.000 0.430 493 K N 0.419 120.712 120.400 -0.178 0.000 2.553 493 K HA 0.555 4.876 4.320 0.001 0.000 0.250 493 K C -2.332 174.174 176.600 -0.156 0.000 0.953 493 K CA -0.339 55.932 56.287 -0.026 0.000 0.800 493 K CB 1.374 33.832 32.500 -0.071 0.000 1.243 493 K HN 0.616 nan 8.250 nan 0.000 0.435 494 Y N 4.669 124.997 120.300 0.048 0.000 2.356 494 Y HA 0.271 4.822 4.550 0.001 0.000 0.334 494 Y C 0.857 176.774 175.900 0.028 0.000 0.958 494 Y CA -0.664 57.455 58.100 0.031 0.000 1.196 494 Y CB 1.231 39.639 38.460 -0.086 0.000 1.137 494 Y HN 0.469 nan 8.280 nan 0.000 0.485 495 L N 2.138 123.427 121.223 0.111 0.000 2.221 495 L HA 0.295 4.636 4.340 0.001 0.000 0.202 495 L C 0.761 177.649 176.870 0.029 0.000 1.074 495 L CA 0.847 55.680 54.840 -0.012 0.000 0.795 495 L CB 0.191 42.110 42.059 -0.232 0.000 0.960 495 L HN 0.543 nan 8.230 nan 0.000 0.458 496 R N -1.849 118.698 120.500 0.078 0.000 2.826 496 R HA 0.236 4.576 4.340 0.001 0.000 0.269 496 R C -1.096 175.315 176.300 0.186 0.000 1.031 496 R CA -0.815 55.347 56.100 0.104 0.000 0.900 496 R CB 1.029 31.370 30.300 0.068 0.000 1.318 496 R HN -0.081 nan 8.270 nan 0.000 0.447 497 Q N 1.890 121.820 119.800 0.217 0.000 2.283 497 Q HA -0.024 4.317 4.340 0.001 0.000 0.301 497 Q C -0.475 175.719 176.000 0.324 0.000 1.063 497 Q CA 1.106 57.110 55.803 0.335 0.000 0.952 497 Q CB 0.295 29.177 28.738 0.240 0.000 1.166 497 Q HN 0.412 nan 8.270 nan 0.000 0.381 498 K N 0.240 120.923 120.400 0.470 0.000 3.130 498 K HA -0.184 4.136 4.320 0.001 0.000 0.282 498 K C -0.754 175.958 176.600 0.186 0.000 1.145 498 K CA 1.030 57.537 56.287 0.367 0.000 0.831 498 K CB -1.721 30.942 32.500 0.270 0.000 1.226 498 K HN 0.554 nan 8.250 nan 0.000 0.478 499 T N 0.796 115.465 114.554 0.191 0.000 3.226 499 T HA 0.425 4.775 4.350 0.001 0.000 0.378 499 T C -0.844 173.957 174.700 0.169 0.000 1.380 499 T CA -0.732 61.447 62.100 0.131 0.000 1.396 499 T CB -0.077 68.865 68.868 0.124 0.000 1.044 499 T HN 0.314 nan 8.240 nan 0.000 0.586 500 Y N 0.505 120.712 120.300 -0.155 0.000 2.644 500 Y HA 0.863 5.413 4.550 0.001 0.000 0.338 500 Y C -1.223 174.239 175.900 -0.731 0.000 1.119 500 Y CA -2.094 55.730 58.100 -0.461 0.000 1.060 500 Y CB 1.299 39.124 38.460 -1.058 0.000 1.294 500 Y HN 0.367 nan 8.280 nan 0.000 0.472 501 I N -0.154 119.954 120.570 -0.769 0.000 2.647 501 I HA 0.732 4.903 4.170 0.001 0.000 0.295 501 I C -1.614 174.135 176.117 -0.613 0.000 1.078 501 I CA -1.107 59.629 61.300 -0.940 0.000 1.048 501 I CB 2.523 39.782 38.000 -1.236 0.000 1.239 501 I HN 0.812 nan 8.210 nan 0.000 0.421 502 Q N 3.274 122.762 119.800 -0.519 0.000 2.416 502 Q HA 0.450 4.791 4.340 0.001 0.000 0.281 502 Q C -1.783 174.152 176.000 -0.108 0.000 1.067 502 Q CA -0.951 54.663 55.803 -0.316 0.000 0.809 502 Q CB 3.046 31.552 28.738 -0.387 0.000 1.418 502 Q HN 0.533 nan 8.270 nan 0.000 0.411 503 D N 2.062 122.465 120.400 0.004 0.000 2.473 503 D HA 0.294 4.935 4.640 0.001 0.000 0.226 503 D C -0.563 175.642 176.300 -0.158 0.000 1.089 503 D CA -0.226 53.770 54.000 -0.007 0.000 0.883 503 D CB 0.900 41.670 40.800 -0.049 0.000 1.029 503 D HN 0.328 nan 8.370 nan 0.000 0.517 504 I N 2.738 123.231 120.570 -0.128 0.000 2.371 504 I HA 0.115 4.285 4.170 0.001 0.000 0.290 504 I C 0.395 176.413 176.117 -0.165 0.000 1.028 504 I CA -0.654 60.565 61.300 -0.135 0.000 1.345 504 I CB -0.259 37.710 38.000 -0.051 0.000 1.407 504 I HN 0.169 nan 8.210 nan 0.000 0.501 505 Y N 6.128 126.375 120.300 -0.089 0.000 2.677 505 Y HA 0.051 4.602 4.550 0.001 0.000 0.335 505 Y C 0.630 176.517 175.900 -0.021 0.000 1.162 505 Y CA -0.045 57.961 58.100 -0.155 0.000 1.483 505 Y CB 0.344 38.650 38.460 -0.256 0.000 1.209 505 Y HN 0.445 nan 8.280 nan 0.000 0.528 506 M N 5.149 124.855 119.600 0.177 0.000 2.060 506 M HA 0.219 4.699 4.480 0.001 0.000 0.342 506 M C -0.332 176.069 176.300 0.168 0.000 1.031 506 M CA -1.315 54.066 55.300 0.136 0.000 0.981 506 M CB 0.660 33.312 32.600 0.086 0.000 1.376 506 M HN 0.455 nan 8.290 nan 0.000 0.397 507 K N 2.711 123.201 120.400 0.150 0.000 2.578 507 K HA -0.094 4.227 4.320 0.001 0.000 0.279 507 K C -0.391 176.262 176.600 0.089 0.000 0.983 507 K CA 0.697 57.059 56.287 0.125 0.000 1.078 507 K CB 0.475 33.023 32.500 0.080 0.000 0.852 507 K HN 0.679 nan 8.250 nan 0.000 0.490 508 E N 1.367 121.607 120.200 0.066 0.000 2.537 508 E HA -0.106 4.244 4.350 0.001 0.000 0.269 508 E C -0.319 176.301 176.600 0.033 0.000 1.038 508 E CA -0.091 56.331 56.400 0.037 0.000 0.977 508 E CB 0.417 30.122 29.700 0.008 0.000 0.973 508 E HN 0.308 nan 8.360 nan 0.000 0.456 509 V N 2.533 122.463 119.914 0.027 0.000 2.350 509 V HA 0.061 4.182 4.120 0.001 0.000 0.276 509 V C -0.602 175.500 176.094 0.013 0.000 1.028 509 V CA -0.536 61.777 62.300 0.021 0.000 0.860 509 V CB 1.139 32.975 31.823 0.022 0.000 0.990 509 V HN 0.604 nan 8.190 nan 0.000 0.453 510 D N 5.341 125.747 120.400 0.010 0.000 2.460 510 D HA 0.360 5.001 4.640 0.001 0.000 0.229 510 D C 1.263 177.566 176.300 0.005 0.000 1.170 510 D CA 0.963 54.967 54.000 0.006 0.000 0.827 510 D CB 0.848 41.651 40.800 0.004 0.000 0.973 510 D HN 0.997 nan 8.370 nan 0.000 0.496 511 G N 0.417 109.221 108.800 0.007 0.000 2.705 511 G HA2 -0.167 3.794 3.960 0.001 0.000 0.193 511 G HA3 -0.167 3.794 3.960 0.001 0.000 0.193 511 G C 0.174 175.078 174.900 0.007 0.000 1.015 511 G CA -0.647 44.457 45.100 0.006 0.000 0.743 511 G HN 0.237 nan 8.290 nan 0.000 0.476 512 K N 0.404 120.810 120.400 0.010 0.000 2.589 512 K HA 0.481 4.802 4.320 0.001 0.000 0.253 512 K C -0.442 176.167 176.600 0.016 0.000 0.974 512 K CA -0.789 55.505 56.287 0.011 0.000 0.835 512 K CB 2.479 34.984 32.500 0.008 0.000 1.272 512 K HN 0.104 nan 8.250 nan 0.000 0.444 513 L N 3.689 124.923 121.223 0.020 0.000 2.578 513 L HA 0.067 4.408 4.340 0.001 0.000 0.279 513 L C 0.116 177.001 176.870 0.025 0.000 1.227 513 L CA 0.274 55.130 54.840 0.027 0.000 0.900 513 L CB 0.207 42.282 42.059 0.026 0.000 1.144 513 L HN 0.445 nan 8.230 nan 0.000 0.496 514 V N 0.466 120.400 119.914 0.033 0.000 3.182 514 V HA 0.487 4.607 4.120 0.001 0.000 0.308 514 V C -0.803 175.314 176.094 0.039 0.000 1.240 514 V CA -1.320 60.997 62.300 0.029 0.000 1.063 514 V CB 1.872 33.709 31.823 0.024 0.000 1.076 514 V HN 0.578 nan 8.190 nan 0.000 0.446 515 E N 1.181 121.396 120.200 0.024 0.000 2.376 515 E HA 0.563 4.913 4.350 0.001 0.000 0.266 515 E C 0.367 176.997 176.600 0.050 0.000 1.009 515 E CA 0.840 57.255 56.400 0.025 0.000 0.902 515 E CB 0.690 30.375 29.700 -0.025 0.000 0.972 515 E HN 1.108 nan 8.360 nan 0.000 0.439 516 G N 0.826 109.686 108.800 0.099 0.000 2.932 516 G HA2 0.575 4.536 3.960 0.001 0.000 0.283 516 G HA3 0.575 4.536 3.960 0.001 0.000 0.283 516 G C -0.738 174.221 174.900 0.098 0.000 1.336 516 G CA -0.716 44.456 45.100 0.119 0.000 1.056 516 G HN 0.520 nan 8.290 nan 0.000 0.522 517 S N -0.836 114.894 115.700 0.051 0.000 2.664 517 S HA 0.543 5.014 4.470 0.001 0.000 0.304 517 S C -2.153 172.273 174.600 -0.291 0.000 1.099 517 S CA -1.327 56.834 58.200 -0.065 0.000 1.003 517 S CB 2.521 65.712 63.200 -0.014 0.000 1.092 517 S HN 0.138 nan 8.310 nan 0.000 0.525 518 P HA -0.086 nan 4.420 nan 0.000 0.222 518 P C 0.277 177.505 177.300 -0.121 0.000 1.142 518 P CA 1.295 63.888 63.100 -0.845 0.000 0.788 518 P CB 0.043 31.396 31.700 -0.578 0.000 0.767 519 D N -1.802 118.576 120.400 -0.037 0.000 2.414 519 D HA -0.002 4.639 4.640 0.001 0.000 0.237 519 D C 0.371 176.665 176.300 -0.010 0.000 0.975 519 D CA 0.888 54.887 54.000 -0.001 0.000 0.917 519 D CB -0.272 40.512 40.800 -0.028 0.000 1.061 519 D HN 0.099 nan 8.370 nan 0.000 0.480 520 D N 0.589 121.001 120.400 0.021 0.000 2.499 520 D HA 0.213 4.853 4.640 0.001 0.000 0.225 520 D C -0.702 175.657 176.300 0.099 0.000 1.124 520 D CA -0.125 53.876 54.000 0.000 0.000 0.938 520 D CB 0.348 41.150 40.800 0.004 0.000 1.014 520 D HN 0.212 nan 8.370 nan 0.000 0.517 521 Y N -2.034 118.252 120.300 -0.023 0.000 2.655 521 Y HA 0.504 5.055 4.550 0.001 0.000 0.336 521 Y C 0.186 176.111 175.900 0.042 0.000 1.154 521 Y CA -0.862 57.256 58.100 0.029 0.000 1.055 521 Y CB 1.150 39.659 38.460 0.081 0.000 1.295 521 Y HN -0.165 nan 8.280 nan 0.000 0.465 522 T N -0.292 114.402 114.554 0.235 0.000 3.177 522 T HA 0.231 4.581 4.350 0.001 0.000 0.262 522 T C -0.809 174.027 174.700 0.227 0.000 0.959 522 T CA 0.489 62.656 62.100 0.111 0.000 0.996 522 T CB 0.222 69.125 68.868 0.059 0.000 1.185 522 T HN 0.732 nan 8.240 nan 0.000 0.486 523 D N 0.287 120.845 120.400 0.262 0.000 2.374 523 D HA 0.526 5.167 4.640 0.001 0.000 0.239 523 D C -0.988 175.426 176.300 0.191 0.000 0.991 523 D CA -0.598 53.518 54.000 0.193 0.000 0.960 523 D CB 1.558 42.425 40.800 0.112 0.000 1.284 523 D HN -0.029 nan 8.370 nan 0.000 0.512 524 I N 1.767 122.396 120.570 0.099 0.000 2.595 524 I HA 0.152 4.323 4.170 0.001 0.000 0.275 524 I C -0.261 175.865 176.117 0.014 0.000 1.092 524 I CA -0.553 60.746 61.300 -0.002 0.000 1.145 524 I CB 0.627 38.604 38.000 -0.038 0.000 1.276 524 I HN 0.311 nan 8.210 nan 0.000 0.497 525 K N 5.033 125.442 120.400 0.015 0.000 2.322 525 K HA 0.188 4.509 4.320 0.001 0.000 0.283 525 K C -0.888 175.752 176.600 0.066 0.000 1.042 525 K CA -0.241 56.069 56.287 0.039 0.000 0.958 525 K CB 0.864 33.372 32.500 0.014 0.000 0.984 525 K HN 0.220 nan 8.250 nan 0.000 0.473 526 F N 4.083 123.993 119.950 -0.067 0.000 2.411 526 F HA 0.249 4.777 4.527 0.001 0.000 0.355 526 F C -0.534 175.195 175.800 -0.119 0.000 1.117 526 F CA -0.159 57.792 58.000 -0.081 0.000 1.139 526 F CB 0.861 39.826 39.000 -0.059 0.000 1.120 526 F HN 0.524 nan 8.300 nan 0.000 0.493 527 S N 5.255 120.528 115.700 -0.713 0.000 2.526 527 S HA 0.875 5.345 4.470 0.001 0.000 0.293 527 S C -1.440 172.592 174.600 -0.947 0.000 1.092 527 S CA -0.779 57.035 58.200 -0.643 0.000 0.980 527 S CB 1.614 64.603 63.200 -0.352 0.000 1.048 527 S HN 0.482 nan 8.310 nan 0.000 0.483 528 V N 2.470 121.915 119.914 -0.781 0.000 2.680 528 V HA 0.662 4.782 4.120 0.001 0.000 0.309 528 V C -0.868 174.857 176.094 -0.615 0.000 1.052 528 V CA -0.778 61.028 62.300 -0.824 0.000 0.908 528 V CB 1.984 33.365 31.823 -0.735 0.000 1.001 528 V HN 0.858 nan 8.190 nan 0.000 0.431 529 K N 2.641 122.597 120.400 -0.740 0.000 2.502 529 K HA 0.682 5.003 4.320 0.001 0.000 0.254 529 K C -1.174 175.198 176.600 -0.380 0.000 0.947 529 K CA -0.197 55.736 56.287 -0.589 0.000 0.834 529 K CB 1.716 33.654 32.500 -0.936 0.000 1.112 529 K HN 0.793 nan 8.250 nan 0.000 0.427 530 C N 1.588 120.794 119.300 -0.156 0.000 2.985 530 C HA 0.639 5.099 4.460 0.001 0.000 0.332 530 C C 1.770 176.809 174.990 0.082 0.000 1.164 530 C CA -0.061 58.975 59.018 0.030 0.000 1.347 530 C CB 1.011 28.845 27.740 0.157 0.000 1.764 530 C HN 0.997 nan 8.230 nan 0.000 0.489 531 A N 3.417 126.339 122.820 0.170 0.000 2.573 531 A HA 0.011 4.331 4.320 0.001 0.000 0.211 531 A C 1.545 179.218 177.584 0.147 0.000 1.231 531 A CA 2.203 54.354 52.037 0.190 0.000 0.977 531 A CB -1.452 17.700 19.000 0.254 0.000 0.761 531 A HN 2.051 nan 8.150 nan 0.000 0.549 532 G N -1.244 107.694 108.800 0.230 0.000 4.178 532 G HA2 0.465 4.426 3.960 0.001 0.000 0.287 532 G HA3 0.465 4.426 3.960 0.001 0.000 0.287 532 G C -0.055 174.490 174.900 -0.592 0.000 1.293 532 G CA -0.035 45.062 45.100 -0.006 0.000 1.393 532 G HN 0.479 nan 8.290 nan 0.000 0.623 533 M N 1.554 120.839 119.600 -0.526 0.000 2.157 533 M HA 0.410 4.890 4.480 0.001 0.000 0.354 533 M C 0.299 176.392 176.300 -0.346 0.000 1.170 533 M CA -0.365 54.509 55.300 -0.710 0.000 1.060 533 M CB 1.483 33.898 32.600 -0.307 0.000 1.615 533 M HN 0.130 nan 8.290 nan 0.000 0.460 534 T N 1.625 115.993 114.554 -0.310 0.000 2.849 534 T HA 0.139 4.490 4.350 0.001 0.000 0.284 534 T C 0.817 175.456 174.700 -0.101 0.000 1.004 534 T CA -0.447 61.556 62.100 -0.160 0.000 1.021 534 T CB 0.585 69.380 68.868 -0.121 0.000 1.013 534 T HN 0.760 nan 8.240 nan 0.000 0.527 535 D N 1.435 121.795 120.400 -0.068 0.000 2.264 535 D HA -0.063 4.578 4.640 0.001 0.000 0.208 535 D C 1.729 178.018 176.300 -0.020 0.000 0.966 535 D CA 0.934 54.907 54.000 -0.045 0.000 0.864 535 D CB 0.166 40.947 40.800 -0.032 0.000 0.933 535 D HN 0.551 nan 8.370 nan 0.000 0.499 536 K N 0.519 120.910 120.400 -0.015 0.000 2.076 536 K HA 0.009 4.330 4.320 0.001 0.000 0.204 536 K C 2.199 178.822 176.600 0.037 0.000 1.051 536 K CA 0.409 56.703 56.287 0.011 0.000 0.949 536 K CB 0.164 32.670 32.500 0.010 0.000 0.726 536 K HN 0.039 nan 8.250 nan 0.000 0.443 537 I N 0.792 121.382 120.570 0.033 0.000 2.406 537 I HA -0.205 3.966 4.170 0.001 0.000 0.249 537 I C 1.975 178.172 176.117 0.133 0.000 1.122 537 I CA 0.928 62.299 61.300 0.119 0.000 1.431 537 I CB -0.101 37.975 38.000 0.127 0.000 1.087 537 I HN 0.095 nan 8.210 nan 0.000 0.424 538 K N 1.335 121.755 120.400 0.034 0.000 2.113 538 K HA -0.174 4.146 4.320 0.001 0.000 0.208 538 K C 1.094 177.717 176.600 0.038 0.000 1.047 538 K CA 1.232 57.514 56.287 -0.008 0.000 0.928 538 K CB -0.158 32.294 32.500 -0.079 0.000 0.716 538 K HN 0.256 nan 8.250 nan 0.000 0.446 539 K N 1.216 121.646 120.400 0.049 0.000 3.277 539 K HA -0.027 4.294 4.320 0.001 0.000 0.291 539 K C 0.081 176.730 176.600 0.082 0.000 0.994 539 K CA 0.457 56.781 56.287 0.062 0.000 1.147 539 K CB 0.051 32.578 32.500 0.044 0.000 1.185 539 K HN 0.221 nan 8.250 nan 0.000 0.422 540 E N -0.547 119.718 120.200 0.108 0.000 2.614 540 E HA 0.027 4.378 4.350 0.001 0.000 0.192 540 E C -0.754 175.920 176.600 0.123 0.000 0.930 540 E CA -0.006 56.480 56.400 0.144 0.000 1.346 540 E CB 1.088 30.929 29.700 0.234 0.000 1.252 540 E HN -0.024 nan 8.360 nan 0.000 0.647 541 V N 2.503 122.444 119.914 0.045 0.000 2.530 541 V HA 0.281 4.402 4.120 0.001 0.000 0.282 541 V C 0.458 176.540 176.094 -0.020 0.000 1.048 541 V CA 0.165 62.430 62.300 -0.059 0.000 0.997 541 V CB 1.051 32.813 31.823 -0.102 0.000 0.987 541 V HN 0.238 nan 8.190 nan 0.000 0.477 542 T N 0.794 115.309 114.554 -0.065 0.000 2.906 542 T HA 0.496 4.847 4.350 0.001 0.000 0.295 542 T C 0.451 175.126 174.700 -0.042 0.000 1.061 542 T CA -0.534 61.480 62.100 -0.145 0.000 1.000 542 T CB 1.186 70.010 68.868 -0.073 0.000 1.103 542 T HN 0.160 nan 8.240 nan 0.000 0.486 543 F N 1.098 120.956 119.950 -0.152 0.000 2.236 543 F HA -0.011 4.516 4.527 0.001 0.000 0.302 543 F C 2.188 178.013 175.800 0.043 0.000 1.073 543 F CA 1.555 59.547 58.000 -0.013 0.000 1.336 543 F CB -0.052 38.918 39.000 -0.051 0.000 1.040 543 F HN 0.717 nan 8.300 nan 0.000 0.507 544 E N -1.669 118.624 120.200 0.155 0.000 2.538 544 E HA 0.003 4.354 4.350 0.001 0.000 0.207 544 E C 1.276 177.927 176.600 0.085 0.000 1.002 544 E CA -0.134 56.335 56.400 0.115 0.000 0.952 544 E CB 0.025 29.784 29.700 0.099 0.000 1.031 544 E HN 0.203 nan 8.360 nan 0.000 0.476 545 N N 0.463 119.213 118.700 0.082 0.000 2.499 545 N HA -0.053 4.687 4.740 0.001 0.000 0.182 545 N C -0.041 175.513 175.510 0.075 0.000 1.034 545 N CA 0.006 53.118 53.050 0.104 0.000 0.882 545 N CB 0.137 38.685 38.487 0.101 0.000 1.125 545 N HN 0.021 nan 8.380 nan 0.000 0.436 546 F N 3.865 123.707 119.950 -0.180 0.000 2.516 546 F HA 0.146 4.673 4.527 0.001 0.000 0.351 546 F C 0.210 175.921 175.800 -0.149 0.000 1.208 546 F CA 0.072 57.911 58.000 -0.268 0.000 1.073 546 F CB -0.404 38.394 39.000 -0.337 0.000 1.203 546 F HN 0.089 nan 8.300 nan 0.000 0.602 547 K N 2.935 123.081 120.400 -0.424 0.000 2.625 547 K HA 0.467 4.788 4.320 0.001 0.000 0.284 547 K C -1.638 174.813 176.600 -0.248 0.000 0.984 547 K CA -1.173 54.918 56.287 -0.328 0.000 0.865 547 K CB 0.766 33.194 32.500 -0.120 0.000 1.468 547 K HN -0.001 nan 8.250 nan 0.000 0.407 548 V N 1.406 121.195 119.914 -0.208 0.000 2.720 548 V HA 0.203 4.324 4.120 0.001 0.000 0.307 548 V C 1.478 177.523 176.094 -0.083 0.000 1.071 548 V CA 1.934 64.148 62.300 -0.144 0.000 1.199 548 V CB 0.004 31.762 31.823 -0.108 0.000 0.900 548 V HN 1.154 nan 8.190 nan 0.000 0.494 549 G N 4.256 113.010 108.800 -0.076 0.000 2.284 549 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 549 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 549 G C 0.122 174.996 174.900 -0.043 0.000 1.009 549 G CA 0.035 45.097 45.100 -0.063 0.000 0.625 549 G HN 0.939 nan 8.290 nan 0.000 0.501 550 F N 3.720 123.589 119.950 -0.135 0.000 2.623 550 F HA 0.417 4.945 4.527 0.001 0.000 0.386 550 F C 0.710 176.452 175.800 -0.097 0.000 1.068 550 F CA 0.730 58.679 58.000 -0.086 0.000 1.265 550 F CB 0.625 39.587 39.000 -0.064 0.000 1.026 550 F HN 0.729 nan 8.300 nan 0.000 0.568 551 S N 5.817 120.998 115.700 -0.865 0.000 2.596 551 S HA 0.856 5.327 4.470 0.001 0.000 0.270 551 S C -1.079 173.156 174.600 -0.609 0.000 1.155 551 S CA -1.213 56.613 58.200 -0.623 0.000 0.827 551 S CB 2.401 65.411 63.200 -0.317 0.000 1.130 551 S HN 0.935 nan 8.310 nan 0.000 0.467 552 R N -0.292 120.038 120.500 -0.284 0.000 2.736 552 R HA 0.292 4.632 4.340 0.001 0.000 0.250 552 R C -1.763 174.526 176.300 -0.019 0.000 1.098 552 R CA -0.327 55.682 56.100 -0.152 0.000 0.978 552 R CB 1.369 31.584 30.300 -0.142 0.000 1.263 552 R HN 0.746 nan 8.270 nan 0.000 0.460 553 K N 4.408 124.799 120.400 -0.015 0.000 2.502 553 K HA 0.238 4.558 4.320 0.001 0.000 0.244 553 K C 0.163 176.779 176.600 0.027 0.000 1.249 553 K CA 0.220 56.515 56.287 0.014 0.000 1.193 553 K CB 0.380 32.880 32.500 0.001 0.000 1.674 553 K HN 0.469 nan 8.250 nan 0.000 0.302 554 M N 0.231 119.857 119.600 0.045 0.000 2.314 554 M HA 0.086 4.567 4.480 0.001 0.000 0.383 554 M C 0.025 176.343 176.300 0.030 0.000 0.984 554 M CA -0.141 55.181 55.300 0.037 0.000 0.982 554 M CB 0.846 33.470 32.600 0.040 0.000 1.745 554 M HN 0.020 nan 8.290 nan 0.000 0.600 555 K N 3.130 123.558 120.400 0.046 0.000 2.250 555 K HA 0.345 4.666 4.320 0.001 0.000 0.280 555 K C -2.646 173.973 176.600 0.032 0.000 1.098 555 K CA -1.610 54.692 56.287 0.026 0.000 0.916 555 K CB 0.869 33.406 32.500 0.061 0.000 1.209 555 K HN -0.144 nan 8.250 nan 0.000 0.461 556 P HA 0.083 nan 4.420 nan 0.000 0.271 556 P C -1.343 175.974 177.300 0.028 0.000 1.218 556 P CA -0.086 63.025 63.100 0.019 0.000 0.780 556 P CB 0.706 32.405 31.700 -0.002 0.000 0.901 557 K N 3.257 123.683 120.400 0.044 0.000 2.535 557 K HA 0.421 4.742 4.320 0.001 0.000 0.251 557 K C -2.755 173.887 176.600 0.071 0.000 0.942 557 K CA -2.157 54.165 56.287 0.058 0.000 0.798 557 K CB 1.897 34.439 32.500 0.069 0.000 1.267 557 K HN 0.208 nan 8.250 nan 0.000 0.434 558 P HA 0.090 nan 4.420 nan 0.000 0.269 558 P C -1.145 176.208 177.300 0.089 0.000 1.215 558 P CA -0.446 62.719 63.100 0.110 0.000 0.780 558 P CB 0.635 32.409 31.700 0.124 0.000 0.898 559 V N 2.826 122.785 119.914 0.075 0.000 2.655 559 V HA 0.141 4.261 4.120 0.001 0.000 0.301 559 V C -0.443 175.661 176.094 0.017 0.000 1.082 559 V CA -0.755 61.577 62.300 0.053 0.000 0.899 559 V CB 1.949 33.798 31.823 0.044 0.000 1.014 559 V HN 0.397 nan 8.190 nan 0.000 0.429 560 Q N 3.621 123.434 119.800 0.022 0.000 2.286 560 Q HA 0.467 4.808 4.340 0.001 0.000 0.267 560 Q C -0.163 175.799 176.000 -0.063 0.000 1.028 560 Q CA 0.120 55.904 55.803 -0.032 0.000 0.901 560 Q CB 1.767 30.509 28.738 0.008 0.000 1.183 560 Q HN 0.828 nan 8.270 nan 0.000 0.392 561 V N 0.206 120.052 119.914 -0.112 0.000 3.130 561 V HA 0.685 4.805 4.120 0.001 0.000 0.310 561 V C -2.758 173.256 176.094 -0.132 0.000 1.158 561 V CA -3.064 59.179 62.300 -0.094 0.000 1.029 561 V CB 1.916 33.700 31.823 -0.064 0.000 1.057 561 V HN 0.423 nan 8.190 nan 0.000 0.436 562 P HA 0.349 nan 4.420 nan 0.000 0.265 562 P C 0.943 178.171 177.300 -0.120 0.000 1.187 562 P CA 2.285 65.329 63.100 -0.094 0.000 0.766 562 P CB 0.697 32.366 31.700 -0.052 0.000 0.820 563 G N 1.490 110.208 108.800 -0.137 0.000 3.400 563 G HA2 -0.011 3.950 3.960 0.001 0.000 0.209 563 G HA3 -0.011 3.950 3.960 0.001 0.000 0.209 563 G C 0.439 175.066 174.900 -0.456 0.000 1.411 563 G CA 0.441 45.446 45.100 -0.158 0.000 0.917 563 G HN 0.967 nan 8.290 nan 0.000 0.570 564 G N -1.540 106.865 108.800 -0.658 0.000 2.593 564 G HA2 0.539 4.500 3.960 0.001 0.000 0.103 564 G HA3 0.539 4.500 3.960 0.001 0.000 0.103 564 G C -1.213 173.213 174.900 -0.790 0.000 1.103 564 G CA 0.697 45.114 45.100 -1.139 0.000 1.109 564 G HN 1.372 nan 8.290 nan 0.000 0.516 565 V N 0.277 119.611 119.914 -0.968 0.000 2.667 565 V HA 0.797 4.918 4.120 0.001 0.000 0.308 565 V C -0.231 175.810 176.094 -0.088 0.000 1.048 565 V CA -0.584 61.492 62.300 -0.373 0.000 0.928 565 V CB 1.520 33.175 31.823 -0.279 0.000 1.004 565 V HN 0.642 nan 8.190 nan 0.000 0.444 566 V N 4.409 124.359 119.914 0.059 0.000 3.007 566 V HA 0.504 4.625 4.120 0.001 0.000 0.311 566 V C -0.641 175.550 176.094 0.161 0.000 1.120 566 V CA -0.672 61.723 62.300 0.160 0.000 0.980 566 V CB 2.339 34.217 31.823 0.092 0.000 1.033 566 V HN 0.640 nan 8.190 nan 0.000 0.429 567 L N 3.821 125.139 121.223 0.159 0.000 2.275 567 L HA 0.693 5.034 4.340 0.001 0.000 0.288 567 L C -0.647 176.265 176.870 0.071 0.000 1.046 567 L CA -0.548 54.352 54.840 0.101 0.000 0.805 567 L CB 1.546 43.638 42.059 0.055 0.000 1.193 567 L HN 0.342 nan 8.230 nan 0.000 0.426 568 V N 1.002 120.951 119.914 0.060 0.000 2.960 568 V HA 0.362 4.483 4.120 0.001 0.000 0.315 568 V C -0.476 175.644 176.094 0.043 0.000 1.087 568 V CA -0.984 61.345 62.300 0.049 0.000 0.982 568 V CB 2.505 34.355 31.823 0.045 0.000 1.039 568 V HN 0.584 nan 8.190 nan 0.000 0.437 569 D N 2.528 122.950 120.400 0.038 0.000 2.312 569 D HA 0.296 4.937 4.640 0.001 0.000 0.252 569 D C -0.814 175.509 176.300 0.038 0.000 1.150 569 D CA 0.267 54.289 54.000 0.036 0.000 0.870 569 D CB 1.550 42.368 40.800 0.031 0.000 1.153 569 D HN 0.604 nan 8.370 nan 0.000 0.457 570 D N 1.125 121.554 120.400 0.049 0.000 2.619 570 D HA 0.125 4.766 4.640 0.001 0.000 0.241 570 D C -0.676 175.666 176.300 0.069 0.000 1.087 570 D CA -0.463 53.569 54.000 0.053 0.000 0.851 570 D CB 1.727 42.565 40.800 0.063 0.000 1.474 570 D HN 0.032 nan 8.370 nan 0.000 0.478 571 T N 3.448 118.028 114.554 0.044 0.000 2.792 571 T HA 0.044 4.394 4.350 0.001 0.000 0.286 571 T C 0.028 174.774 174.700 0.076 0.000 0.970 571 T CA 0.230 62.349 62.100 0.033 0.000 1.187 571 T CB -0.517 68.338 68.868 -0.022 0.000 0.915 571 T HN 0.174 nan 8.240 nan 0.000 0.529 572 F N 3.957 123.883 119.950 -0.041 0.000 2.408 572 F HA 0.512 5.039 4.527 0.001 0.000 0.344 572 F C 0.119 175.893 175.800 -0.044 0.000 1.112 572 F CA -0.534 57.457 58.000 -0.015 0.000 1.096 572 F CB 1.056 40.072 39.000 0.027 0.000 1.129 572 F HN 0.390 nan 8.300 nan 0.000 0.486 573 T N 7.435 121.497 114.554 -0.819 0.000 2.916 573 T HA 0.456 4.806 4.350 0.001 0.000 0.298 573 T C -0.327 173.948 174.700 -0.709 0.000 1.031 573 T CA -0.537 61.188 62.100 -0.625 0.000 0.993 573 T CB 1.353 70.025 68.868 -0.327 0.000 1.045 573 T HN 0.428 nan 8.240 nan 0.000 0.454 574 I N 4.665 124.983 120.570 -0.420 0.000 2.347 574 I HA 0.238 4.409 4.170 0.001 0.000 0.294 574 I C 0.859 176.860 176.117 -0.194 0.000 1.090 574 I CA -0.324 60.815 61.300 -0.267 0.000 1.314 574 I CB 0.147 38.074 38.000 -0.120 0.000 1.423 574 I HN 0.519 nan 8.210 nan 0.000 0.503 575 K N 0.000 120.294 120.400 -0.177 0.000 2.780 575 K HA 0.000 4.321 4.320 0.001 0.000 0.191 575 K CA 0.000 56.212 56.287 -0.124 0.000 0.838 575 K CB 0.000 32.424 32.500 -0.127 0.000 1.064 575 K HN 0.000 nan 8.250 nan 0.000 0.543