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 1fea_1_B DATA FIRST_RESID 1 DATA SEQUENCE SRAYDLVVIG AGSGGLEAGW NAASLHKKRV AVIDLQKHHG PPHYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGANYMD TIRESAGFGW ELDRESVRPN WKALIAAKNK DATA SEQUENCE AVSGINDSYE GMFADTEGLT FHQGFGALQD NHTVLVRESA DPNSAVLETL DATA SEQUENCE DTEYILLATG SWPQHLGIEG DDLCITSNEA FYLDEAPKRA LCVGGGYISI DATA SEQUENCE EFAGIFNAYK ARGGQVDLAY RGDMILRGFD SELRKQLTEQ LRANGINVRT DATA SEQUENCE HENPAKVTKN ADGTRHVVFE SGAEADYDVV MLAIGRVPRS QTLQLEKAGV DATA SEQUENCE EVAKNGAIKV DAYSKTNVDN IYAIGDVTDR VMLTPVAINE GAAFVDTVFA DATA SEQUENCE NKPRATDHTK VACAVFSIPP MGVCGYVEED AAKKYDQVAV YESSFTPLMH DATA SEQUENCE NISGSTYKKF MVRIVTNHAD GEVLGVHMLG DSSPEIIQSV AICLKMGAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPAYFYEKG KRVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.583 174.600 -0.029 0.000 1.055 1 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 2 R N 1.104 121.584 120.500 -0.033 0.000 2.606 2 R HA -0.109 4.231 4.340 -0.000 0.000 0.254 2 R C 1.656 177.925 176.300 -0.052 0.000 0.912 2 R CA 0.734 56.820 56.100 -0.024 0.000 1.024 2 R CB -0.803 29.509 30.300 0.020 0.000 0.870 2 R HN 0.824 nan 8.270 nan 0.000 0.417 3 A N 2.676 125.429 122.820 -0.111 0.000 1.958 3 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 3 A C 0.175 177.430 177.584 -0.548 0.000 1.178 3 A CA 1.511 53.346 52.037 -0.337 0.000 0.642 3 A CB -0.304 18.459 19.000 -0.395 0.000 0.816 3 A HN 0.601 nan 8.150 nan 0.000 0.453 4 Y N -2.130 118.196 120.300 0.044 0.000 2.477 4 Y HA 0.392 4.941 4.550 -0.000 0.000 0.347 4 Y C 0.404 176.366 175.900 0.103 0.000 0.981 4 Y CA -1.208 56.929 58.100 0.063 0.000 1.033 4 Y CB 1.493 39.986 38.460 0.054 0.000 1.245 4 Y HN 0.035 nan 8.280 nan 0.000 0.455 5 D N 1.200 121.764 120.400 0.274 0.000 2.213 5 D HA 0.070 4.710 4.640 -0.000 0.000 0.205 5 D C -0.247 176.299 176.300 0.411 0.000 0.961 5 D CA 1.260 55.426 54.000 0.276 0.000 0.853 5 D CB 0.754 41.618 40.800 0.107 0.000 0.967 5 D HN 0.320 nan 8.370 nan 0.000 0.496 6 L N 0.283 121.698 121.223 0.320 0.000 2.482 6 L HA 0.348 4.688 4.340 -0.000 0.000 0.263 6 L C -1.765 175.211 176.870 0.176 0.000 0.957 6 L CA -0.579 54.461 54.840 0.334 0.000 0.836 6 L CB 2.857 45.106 42.059 0.316 0.000 1.324 6 L HN -0.400 nan 8.230 nan 0.000 0.406 7 V N 4.691 124.677 119.914 0.120 0.000 2.419 7 V HA 0.334 4.454 4.120 -0.000 0.000 0.287 7 V C -0.369 175.723 176.094 -0.003 0.000 1.017 7 V CA -0.529 61.747 62.300 -0.040 0.000 0.844 7 V CB 2.046 33.798 31.823 -0.119 0.000 1.011 7 V HN 0.423 nan 8.190 nan 0.000 0.429 8 V N 6.638 126.552 119.914 -0.001 0.000 2.406 8 V HA 0.433 4.553 4.120 -0.000 0.000 0.272 8 V C 0.168 176.248 176.094 -0.023 0.000 1.043 8 V CA -0.295 62.006 62.300 0.002 0.000 0.915 8 V CB 1.554 33.405 31.823 0.046 0.000 0.988 8 V HN 0.656 nan 8.190 nan 0.000 0.466 9 I N 5.030 125.579 120.570 -0.034 0.000 2.287 9 I HA 0.639 4.809 4.170 -0.000 0.000 0.290 9 I C 0.741 176.842 176.117 -0.027 0.000 1.069 9 I CA 0.094 61.367 61.300 -0.045 0.000 1.237 9 I CB 0.834 38.805 38.000 -0.048 0.000 1.418 9 I HN 0.886 nan 8.210 nan 0.000 0.481 10 G N 4.465 113.257 108.800 -0.013 0.000 3.400 10 G HA2 0.113 4.073 3.960 -0.000 0.000 0.679 10 G HA3 0.113 4.073 3.960 -0.000 0.000 0.679 10 G C -0.318 174.609 174.900 0.046 0.000 1.239 10 G CA -0.402 44.703 45.100 0.009 0.000 1.049 10 G HN 0.810 nan 8.290 nan 0.000 0.539 11 A N 1.741 124.606 122.820 0.076 0.000 2.988 11 A HA 0.747 5.067 4.320 -0.000 0.000 0.288 11 A C 1.452 179.022 177.584 -0.023 0.000 1.385 11 A CA 1.133 53.215 52.037 0.077 0.000 1.001 11 A CB -0.320 18.788 19.000 0.180 0.000 1.071 11 A HN 1.980 nan 8.150 nan 0.000 0.608 12 G N -0.681 108.120 108.800 0.003 0.000 2.504 12 G HA2 0.330 4.290 3.960 -0.000 0.000 0.257 12 G HA3 0.330 4.290 3.960 -0.000 0.000 0.257 12 G C 1.142 176.038 174.900 -0.007 0.000 1.451 12 G CA 0.506 45.606 45.100 0.000 0.000 1.059 12 G HN 0.274 nan 8.290 nan 0.000 0.550 13 S N -0.395 115.319 115.700 0.023 0.000 2.356 13 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 13 S C 2.407 177.032 174.600 0.043 0.000 1.032 13 S CA 1.668 59.888 58.200 0.034 0.000 1.005 13 S CB -0.554 62.677 63.200 0.052 0.000 0.867 13 S HN 0.753 nan 8.310 nan 0.000 0.449 14 G N 0.668 109.498 108.800 0.049 0.000 2.411 14 G HA2 0.111 4.071 3.960 -0.000 0.000 0.213 14 G HA3 0.111 4.071 3.960 -0.000 0.000 0.213 14 G C 1.407 176.340 174.900 0.055 0.000 1.166 14 G CA 0.658 45.792 45.100 0.058 0.000 0.802 14 G HN 0.551 nan 8.290 nan 0.000 0.533 15 G N 0.447 109.269 108.800 0.038 0.000 2.443 15 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.219 15 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.219 15 G C 1.592 176.539 174.900 0.078 0.000 1.131 15 G CA 0.630 45.754 45.100 0.039 0.000 0.775 15 G HN 0.317 nan 8.290 nan 0.000 0.547 16 L N 0.469 121.729 121.223 0.062 0.000 2.162 16 L HA 0.216 4.556 4.340 -0.000 0.000 0.205 16 L C 2.542 179.489 176.870 0.129 0.000 1.086 16 L CA 1.588 56.471 54.840 0.070 0.000 0.778 16 L CB -0.375 41.657 42.059 -0.045 0.000 0.928 16 L HN 0.327 nan 8.230 nan 0.000 0.446 17 E N -0.058 120.212 120.200 0.118 0.000 2.051 17 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 17 E C 2.136 178.880 176.600 0.239 0.000 0.991 17 E CA 1.590 58.086 56.400 0.161 0.000 0.799 17 E CB -0.199 29.573 29.700 0.119 0.000 0.748 17 E HN 0.389 nan 8.360 nan 0.000 0.449 18 A N 0.555 123.507 122.820 0.221 0.000 1.851 18 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 18 A C 2.554 180.309 177.584 0.285 0.000 1.195 18 A CA 2.209 54.426 52.037 0.300 0.000 0.622 18 A CB -1.710 17.447 19.000 0.261 0.000 0.831 18 A HN 0.452 nan 8.150 nan 0.000 0.444 19 G N -1.184 107.754 108.800 0.231 0.000 2.529 19 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.219 19 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.219 19 G C 1.549 176.559 174.900 0.184 0.000 1.177 19 G CA 1.179 46.400 45.100 0.203 0.000 0.773 19 G HN 0.723 nan 8.290 nan 0.000 0.573 20 W N 1.715 123.033 121.300 0.029 0.000 2.338 20 W HA -0.130 4.530 4.660 -0.000 0.000 0.304 20 W C 2.086 178.609 176.519 0.007 0.000 1.212 20 W CA 1.502 58.839 57.345 -0.013 0.000 1.264 20 W CB -0.416 29.025 29.460 -0.033 0.000 1.142 20 W HN 0.168 nan 8.180 nan 0.000 0.512 21 N N 0.973 119.795 118.700 0.204 0.000 2.058 21 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 21 N C 2.041 177.544 175.510 -0.012 0.000 1.037 21 N CA 2.665 55.776 53.050 0.102 0.000 0.848 21 N CB -1.137 37.495 38.487 0.241 0.000 1.021 21 N HN 0.188 nan 8.380 nan 0.000 0.422 22 A N 0.694 123.544 122.820 0.050 0.000 1.883 22 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 22 A C 2.321 179.808 177.584 -0.163 0.000 1.186 22 A CA 2.243 54.245 52.037 -0.057 0.000 0.624 22 A CB -1.044 17.855 19.000 -0.168 0.000 0.822 22 A HN 0.347 nan 8.150 nan 0.000 0.444 23 A N -1.350 121.360 122.820 -0.183 0.000 1.841 23 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 23 A C 2.508 179.883 177.584 -0.349 0.000 1.195 23 A CA 2.057 53.960 52.037 -0.224 0.000 0.611 23 A CB -1.051 17.846 19.000 -0.173 0.000 0.835 23 A HN 0.437 nan 8.150 nan 0.000 0.443 24 S N -0.985 114.346 115.700 -0.615 0.000 2.383 24 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 24 S C 1.744 176.067 174.600 -0.461 0.000 1.026 24 S CA 1.283 59.053 58.200 -0.717 0.000 0.981 24 S CB -0.263 62.067 63.200 -1.451 0.000 0.818 24 S HN 0.319 nan 8.310 nan 0.000 0.472 25 L N -0.033 120.933 121.223 -0.428 0.000 2.307 25 L HA 0.179 4.519 4.340 -0.000 0.000 0.211 25 L C 0.594 177.047 176.870 -0.695 0.000 1.099 25 L CA 1.534 56.077 54.840 -0.495 0.000 0.816 25 L CB -0.388 41.367 42.059 -0.506 0.000 0.952 25 L HN 0.318 nan 8.230 nan 0.000 0.455 26 H N -1.771 117.206 119.070 -0.155 0.000 2.637 26 H HA 0.247 4.803 4.556 -0.000 0.000 0.245 26 H C -0.168 175.066 175.328 -0.158 0.000 1.190 26 H CA -0.517 55.450 56.048 -0.136 0.000 0.934 26 H CB 0.111 29.794 29.762 -0.131 0.000 1.950 26 H HN -0.071 nan 8.280 nan 0.000 0.614 27 K N 0.812 121.152 120.400 -0.099 0.000 3.213 27 K HA -0.265 4.055 4.320 -0.000 0.000 0.266 27 K C -0.288 176.259 176.600 -0.088 0.000 0.911 27 K CA 0.548 56.779 56.287 -0.093 0.000 0.684 27 K CB -0.884 31.579 32.500 -0.063 0.000 1.402 27 K HN 0.251 nan 8.250 nan 0.000 0.465 28 K N 0.639 120.958 120.400 -0.135 0.000 2.139 28 K HA 0.369 4.689 4.320 -0.000 0.000 0.243 28 K C 0.007 176.567 176.600 -0.066 0.000 0.983 28 K CA -0.730 55.464 56.287 -0.155 0.000 0.890 28 K CB 0.893 33.167 32.500 -0.377 0.000 1.090 28 K HN 0.123 nan 8.250 nan 0.000 0.445 29 R N 0.647 121.149 120.500 0.004 0.000 2.254 29 R HA 0.443 4.783 4.340 -0.000 0.000 0.318 29 R C -0.955 175.458 176.300 0.188 0.000 1.031 29 R CA -0.730 55.439 56.100 0.116 0.000 0.905 29 R CB 0.837 31.220 30.300 0.137 0.000 1.050 29 R HN 0.138 nan 8.270 nan 0.000 0.456 30 V N 2.094 122.130 119.914 0.203 0.000 2.525 30 V HA 0.466 4.586 4.120 -0.000 0.000 0.299 30 V C -0.367 175.824 176.094 0.162 0.000 1.034 30 V CA -0.947 61.453 62.300 0.168 0.000 0.863 30 V CB 1.770 33.666 31.823 0.122 0.000 0.999 30 V HN 0.914 nan 8.190 nan 0.000 0.423 31 A N 4.959 127.756 122.820 -0.039 0.000 2.276 31 A HA 0.868 5.188 4.320 -0.000 0.000 0.316 31 A C -0.536 177.045 177.584 -0.004 0.000 1.229 31 A CA -0.448 51.521 52.037 -0.113 0.000 0.851 31 A CB 1.110 19.569 19.000 -0.902 0.000 1.165 31 A HN 0.703 nan 8.150 nan 0.000 0.513 32 V N 3.133 123.141 119.914 0.155 0.000 2.667 32 V HA 0.556 4.676 4.120 -0.000 0.000 0.308 32 V C -0.281 175.793 176.094 -0.033 0.000 1.048 32 V CA -0.383 62.004 62.300 0.145 0.000 0.928 32 V CB 1.657 33.700 31.823 0.366 0.000 1.004 32 V HN 0.751 nan 8.190 nan 0.000 0.444 33 I N 2.990 123.512 120.570 -0.080 0.000 2.478 33 I HA 0.542 4.712 4.170 -0.000 0.000 0.287 33 I C -0.953 175.099 176.117 -0.108 0.000 1.042 33 I CA -0.084 61.063 61.300 -0.254 0.000 1.067 33 I CB 1.898 39.773 38.000 -0.209 0.000 1.233 33 I HN 0.597 nan 8.210 nan 0.000 0.431 34 D N 4.406 124.737 120.400 -0.115 0.000 2.602 34 D HA 0.396 5.036 4.640 -0.000 0.000 0.236 34 D C 0.475 176.780 176.300 0.009 0.000 1.209 34 D CA -0.499 53.554 54.000 0.087 0.000 0.831 34 D CB 2.665 43.668 40.800 0.338 0.000 1.478 34 D HN 0.337 nan 8.370 nan 0.000 0.438 35 L N 0.381 121.517 121.223 -0.146 0.000 2.291 35 L HA -0.034 4.305 4.340 -0.000 0.000 0.214 35 L C 1.079 177.956 176.870 0.013 0.000 1.120 35 L CA 0.893 55.571 54.840 -0.270 0.000 0.799 35 L CB -0.238 41.413 42.059 -0.680 0.000 0.925 35 L HN 0.392 nan 8.230 nan 0.000 0.446 36 Q N -2.380 117.485 119.800 0.109 0.000 2.648 36 Q HA 0.340 4.680 4.340 -0.000 0.000 0.300 36 Q C -0.559 175.456 176.000 0.026 0.000 0.954 36 Q CA -0.951 54.918 55.803 0.109 0.000 0.757 36 Q CB 1.432 30.234 28.738 0.106 0.000 1.482 36 Q HN -0.201 nan 8.270 nan 0.000 0.437 37 K N -0.381 119.985 120.400 -0.057 0.000 2.335 37 K HA 0.198 4.517 4.320 -0.000 0.000 0.195 37 K C -0.218 176.140 176.600 -0.403 0.000 1.058 37 K CA 0.521 56.637 56.287 -0.286 0.000 0.988 37 K CB 0.500 32.814 32.500 -0.311 0.000 0.880 37 K HN 0.519 nan 8.250 nan 0.000 0.513 38 H N -0.011 119.036 119.070 -0.039 0.000 2.621 38 H HA 0.148 4.704 4.556 -0.000 0.000 0.360 38 H C -0.241 175.053 175.328 -0.055 0.000 1.163 38 H CA -0.839 55.182 56.048 -0.045 0.000 1.194 38 H CB 1.085 30.780 29.762 -0.111 0.000 1.649 38 H HN 0.134 nan 8.280 nan 0.000 0.532 39 H N 0.530 119.696 119.070 0.159 0.000 2.871 39 H HA 0.397 4.953 4.556 -0.000 0.000 0.377 39 H C 0.694 176.065 175.328 0.072 0.000 1.307 39 H CA -0.036 56.094 56.048 0.135 0.000 1.449 39 H CB 0.126 29.990 29.762 0.170 0.000 1.452 39 H HN 0.966 nan 8.280 nan 0.000 0.619 40 G N -0.161 108.721 108.800 0.138 0.000 2.690 40 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 40 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 40 G C -2.891 171.623 174.900 -0.644 0.000 1.277 40 G CA -0.758 44.106 45.100 -0.393 0.000 0.799 40 G HN 0.843 nan 8.290 nan 0.000 0.613 41 P HA 0.064 nan 4.420 nan 0.000 0.264 41 P C -1.665 175.304 177.300 -0.552 0.000 1.173 41 P CA -0.134 62.339 63.100 -1.045 0.000 0.761 41 P CB 0.663 31.917 31.700 -0.743 0.000 0.794 42 P HA 0.031 nan 4.420 nan 0.000 0.245 42 P C 0.759 177.804 177.300 -0.424 0.000 1.199 42 P CA 1.076 63.882 63.100 -0.490 0.000 0.807 42 P CB 0.193 31.628 31.700 -0.442 0.000 1.002 43 H N -2.998 116.032 119.070 -0.067 0.000 2.622 43 H HA 0.143 4.699 4.556 -0.000 0.000 0.269 43 H C 0.436 176.004 175.328 0.401 0.000 0.977 43 H CA -0.027 56.136 56.048 0.191 0.000 1.179 43 H CB 0.025 29.838 29.762 0.085 0.000 1.458 43 H HN -0.126 nan 8.280 nan 0.000 0.531 44 Y N -0.510 119.957 120.300 0.279 0.000 2.716 44 Y HA -0.447 4.103 4.550 -0.000 0.000 0.483 44 Y C 1.540 177.598 175.900 0.263 0.000 1.075 44 Y CA 0.690 58.952 58.100 0.271 0.000 2.997 44 Y CB -1.618 37.019 38.460 0.294 0.000 0.987 44 Y HN 0.332 nan 8.280 nan 0.000 0.578 45 A N 1.292 124.391 122.820 0.465 0.000 2.313 45 A HA 0.786 5.106 4.320 -0.000 0.000 0.261 45 A C 0.543 178.258 177.584 0.217 0.000 1.090 45 A CA 0.698 52.916 52.037 0.302 0.000 0.807 45 A CB 0.559 19.748 19.000 0.315 0.000 1.055 45 A HN 1.444 nan 8.150 nan 0.000 0.492 46 A N -0.669 122.230 122.820 0.133 0.000 2.809 46 A HA 0.537 4.857 4.320 -0.000 0.000 0.310 46 A C -0.854 176.725 177.584 -0.007 0.000 1.138 46 A CA -0.327 51.751 52.037 0.068 0.000 0.610 46 A CB -0.352 18.685 19.000 0.062 0.000 1.432 46 A HN 2.094 nan 8.150 nan 0.000 0.597 47 L N 1.190 122.350 121.223 -0.106 0.000 2.660 47 L HA 0.446 4.785 4.340 -0.000 0.000 0.272 47 L C 1.138 177.838 176.870 -0.283 0.000 1.194 47 L CA 2.611 57.305 54.840 -0.243 0.000 0.945 47 L CB -0.330 41.442 42.059 -0.478 0.000 1.212 47 L HN 2.202 nan 8.230 nan 0.000 0.490 48 G N 2.041 110.618 108.800 -0.371 0.000 2.284 48 G HA2 0.190 4.150 3.960 -0.000 0.000 0.201 48 G HA3 0.190 4.150 3.960 -0.000 0.000 0.201 48 G C 1.101 175.937 174.900 -0.107 0.000 0.998 48 G CA 0.091 44.948 45.100 -0.404 0.000 0.651 48 G HN 2.108 nan 8.290 nan 0.000 0.489 49 G N -1.228 107.548 108.800 -0.041 0.000 2.725 49 G HA2 0.099 4.059 3.960 -0.000 0.000 0.220 49 G HA3 0.099 4.059 3.960 -0.000 0.000 0.220 49 G C 0.820 175.761 174.900 0.068 0.000 1.357 49 G CA 0.665 45.784 45.100 0.032 0.000 0.866 49 G HN 1.246 nan 8.290 nan 0.000 0.548 50 T N -0.537 114.074 114.554 0.097 0.000 2.759 50 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 50 T C 2.495 177.231 174.700 0.058 0.000 1.042 50 T CA 2.496 64.656 62.100 0.100 0.000 1.140 50 T CB -0.593 68.351 68.868 0.126 0.000 0.864 50 T HN 1.033 nan 8.240 nan 0.000 0.455 51 c N 1.036 119.673 118.600 0.062 0.000 2.418 51 c HA -0.088 4.482 4.570 -0.000 0.000 0.280 51 c C 2.762 176.855 174.090 0.006 0.000 1.223 51 c CA 0.797 57.154 56.329 0.047 0.000 1.736 51 c CB -1.230 41.315 42.510 0.059 0.000 2.056 51 c HN 0.384 nan 8.230 nan 0.000 0.459 52 V N 2.187 122.117 119.914 0.026 0.000 2.287 52 V HA -0.223 3.896 4.120 -0.000 0.000 0.248 52 V C 2.363 178.432 176.094 -0.043 0.000 1.053 52 V CA 2.553 64.865 62.300 0.021 0.000 1.027 52 V CB -0.755 31.141 31.823 0.122 0.000 0.646 52 V HN 0.593 nan 8.190 nan 0.000 0.447 53 N N 0.380 119.070 118.700 -0.016 0.000 2.132 53 N HA -0.044 4.696 4.740 -0.000 0.000 0.187 53 N C 1.087 176.469 175.510 -0.213 0.000 1.038 53 N CA 1.989 55.023 53.050 -0.027 0.000 0.846 53 N CB 0.069 38.627 38.487 0.119 0.000 1.012 53 N HN 0.537 nan 8.380 nan 0.000 0.429 54 V N -2.452 117.331 119.914 -0.218 0.000 2.711 54 V HA 0.730 4.850 4.120 -0.000 0.000 0.335 54 V C 0.335 176.232 176.094 -0.328 0.000 1.235 54 V CA -0.395 61.561 62.300 -0.572 0.000 1.250 54 V CB 0.540 32.261 31.823 -0.169 0.000 1.469 54 V HN 0.206 nan 8.190 nan 0.000 0.646 55 G N -0.204 108.468 108.800 -0.213 0.000 3.366 55 G HA2 0.231 4.191 3.960 -0.000 0.000 0.179 55 G HA3 0.231 4.191 3.960 -0.000 0.000 0.179 55 G C 0.889 175.838 174.900 0.081 0.000 1.143 55 G CA 0.576 45.712 45.100 0.060 0.000 0.810 55 G HN 0.331 nan 8.290 nan 0.000 0.697 56 c N 0.106 118.747 118.600 0.068 0.000 2.391 56 c HA -0.028 4.542 4.570 -0.000 0.000 0.276 56 c C 2.840 176.887 174.090 -0.071 0.000 1.217 56 c CA 0.874 57.211 56.329 0.014 0.000 1.766 56 c CB -1.482 41.041 42.510 0.022 0.000 2.046 56 c HN 0.264 nan 8.230 nan 0.000 0.475 57 V N 3.061 122.930 119.914 -0.075 0.000 2.216 57 V HA -0.152 3.968 4.120 -0.000 0.000 0.242 57 V C 0.465 176.482 176.094 -0.128 0.000 1.042 57 V CA 2.768 65.003 62.300 -0.109 0.000 0.991 57 V CB -1.955 29.811 31.823 -0.096 0.000 0.633 57 V HN 0.360 nan 8.190 nan 0.000 0.449 58 P HA -0.221 nan 4.420 nan 0.000 0.218 58 P C 1.571 178.898 177.300 0.045 0.000 1.148 58 P CA 1.550 64.585 63.100 -0.109 0.000 0.822 58 P CB -0.121 31.419 31.700 -0.267 0.000 0.784 59 K N 1.342 121.831 120.400 0.149 0.000 2.063 59 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 59 K C 2.127 178.608 176.600 -0.198 0.000 1.048 59 K CA 1.836 58.153 56.287 0.050 0.000 0.928 59 K CB -0.506 32.073 32.500 0.132 0.000 0.713 59 K HN -0.065 nan 8.250 nan 0.000 0.442 60 K N 0.974 121.222 120.400 -0.253 0.000 2.057 60 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 60 K C 2.293 178.747 176.600 -0.244 0.000 1.050 60 K CA 1.056 57.112 56.287 -0.384 0.000 0.935 60 K CB -0.291 31.929 32.500 -0.466 0.000 0.715 60 K HN 0.182 nan 8.250 nan 0.000 0.439 61 L N 0.016 121.133 121.223 -0.177 0.000 2.042 61 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 61 L C 2.538 179.334 176.870 -0.123 0.000 1.076 61 L CA 1.547 56.311 54.840 -0.128 0.000 0.749 61 L CB -0.425 41.563 42.059 -0.118 0.000 0.893 61 L HN 0.234 nan 8.230 nan 0.000 0.432 62 M N -1.127 118.371 119.600 -0.171 0.000 2.175 62 M HA -0.158 4.321 4.480 -0.000 0.000 0.264 62 M C 2.220 178.420 176.300 -0.166 0.000 1.063 62 M CA 1.234 56.402 55.300 -0.220 0.000 1.119 62 M CB -0.290 32.119 32.600 -0.319 0.000 1.377 62 M HN 0.058 nan 8.290 nan 0.000 0.415 63 V N -0.177 119.622 119.914 -0.191 0.000 2.667 63 V HA -0.176 3.944 4.120 -0.000 0.000 0.252 63 V C 2.212 178.263 176.094 -0.072 0.000 1.065 63 V CA 1.770 63.989 62.300 -0.134 0.000 1.083 63 V CB -0.810 30.927 31.823 -0.143 0.000 0.692 63 V HN 0.495 nan 8.190 nan 0.000 0.468 64 T N 0.406 114.910 114.554 -0.082 0.000 2.737 64 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 64 T C 1.982 176.682 174.700 0.001 0.000 1.038 64 T CA 1.579 63.635 62.100 -0.073 0.000 1.144 64 T CB -0.606 68.234 68.868 -0.046 0.000 0.866 64 T HN 0.593 nan 8.240 nan 0.000 0.434 65 G N 1.306 110.195 108.800 0.148 0.000 2.446 65 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 65 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 65 G C 1.831 176.983 174.900 0.420 0.000 1.168 65 G CA 0.982 46.319 45.100 0.395 0.000 0.771 65 G HN 0.584 nan 8.290 nan 0.000 0.551 66 A N 0.744 123.764 122.820 0.334 0.000 2.076 66 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 66 A C 2.228 179.873 177.584 0.103 0.000 1.160 66 A CA 1.711 53.921 52.037 0.287 0.000 0.653 66 A CB -0.415 18.694 19.000 0.183 0.000 0.801 66 A HN 0.398 nan 8.150 nan 0.000 0.455 67 N N -1.266 117.427 118.700 -0.011 0.000 2.244 67 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 67 N C 1.354 176.769 175.510 -0.157 0.000 1.016 67 N CA 1.285 54.258 53.050 -0.128 0.000 0.866 67 N CB -0.333 38.011 38.487 -0.239 0.000 0.980 67 N HN 0.634 nan 8.380 nan 0.000 0.430 68 Y N 1.302 121.598 120.300 -0.006 0.000 2.315 68 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 68 Y C 2.564 178.441 175.900 -0.039 0.000 1.154 68 Y CA 0.853 58.933 58.100 -0.032 0.000 1.229 68 Y CB -0.433 38.001 38.460 -0.043 0.000 0.980 68 Y HN 0.087 nan 8.280 nan 0.000 0.540 69 M N -0.009 119.647 119.600 0.094 0.000 2.108 69 M HA -0.267 4.213 4.480 -0.000 0.000 0.261 69 M C 1.094 177.423 176.300 0.049 0.000 1.066 69 M CA 2.166 57.489 55.300 0.040 0.000 1.107 69 M CB -0.070 32.532 32.600 0.004 0.000 1.356 69 M HN 0.100 nan 8.290 nan 0.000 0.406 70 D N -0.205 120.218 120.400 0.038 0.000 2.162 70 D HA -0.093 4.547 4.640 -0.000 0.000 0.203 70 D C 2.128 178.455 176.300 0.046 0.000 0.967 70 D CA 1.983 56.011 54.000 0.047 0.000 0.840 70 D CB -0.375 40.447 40.800 0.037 0.000 0.972 70 D HN 0.577 nan 8.370 nan 0.000 0.482 71 T N -0.816 113.749 114.554 0.018 0.000 2.737 71 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 71 T C 2.256 176.979 174.700 0.038 0.000 1.038 71 T CA 0.581 62.685 62.100 0.007 0.000 1.144 71 T CB -0.616 68.228 68.868 -0.040 0.000 0.866 71 T HN 0.098 nan 8.240 nan 0.000 0.434 72 I N 1.333 121.943 120.570 0.066 0.000 2.194 72 I HA -0.196 3.974 4.170 -0.000 0.000 0.246 72 I C 3.121 179.284 176.117 0.077 0.000 1.093 72 I CA 1.781 63.117 61.300 0.060 0.000 1.355 72 I CB -0.432 37.602 38.000 0.057 0.000 1.046 72 I HN 0.291 nan 8.210 nan 0.000 0.413 73 R N 1.333 121.880 120.500 0.079 0.000 2.066 73 R HA -0.184 4.156 4.340 -0.000 0.000 0.232 73 R C 2.057 178.432 176.300 0.125 0.000 1.131 73 R CA 1.717 57.873 56.100 0.093 0.000 0.955 73 R CB -0.133 30.219 30.300 0.087 0.000 0.851 73 R HN 0.357 nan 8.270 nan 0.000 0.432 74 E N 0.285 120.564 120.200 0.132 0.000 2.268 74 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 74 E C 1.877 178.642 176.600 0.275 0.000 0.995 74 E CA 1.192 57.708 56.400 0.193 0.000 0.836 74 E CB 0.084 29.890 29.700 0.176 0.000 0.763 74 E HN 0.489 nan 8.360 nan 0.000 0.491 75 S N 0.974 116.792 115.700 0.197 0.000 2.419 75 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 75 S C 2.183 177.025 174.600 0.403 0.000 1.019 75 S CA 0.817 59.170 58.200 0.255 0.000 0.982 75 S CB -0.226 63.037 63.200 0.105 0.000 0.789 75 S HN 0.297 nan 8.310 nan 0.000 0.490 76 A N 2.328 125.317 122.820 0.281 0.000 1.859 76 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 76 A C 2.482 180.180 177.584 0.190 0.000 1.198 76 A CA 1.811 53.980 52.037 0.220 0.000 0.629 76 A CB -1.912 17.176 19.000 0.146 0.000 0.830 76 A HN 0.758 nan 8.150 nan 0.000 0.446 77 G N -2.361 106.536 108.800 0.161 0.000 2.535 77 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.218 77 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.218 77 G C 0.840 175.611 174.900 -0.215 0.000 1.122 77 G CA 0.762 45.837 45.100 -0.043 0.000 0.769 77 G HN 0.443 nan 8.290 nan 0.000 0.549 78 F N 0.096 120.115 119.950 0.115 0.000 2.641 78 F HA 0.383 4.910 4.527 -0.000 0.000 0.302 78 F C 1.790 177.630 175.800 0.067 0.000 1.098 78 F CA 0.139 58.216 58.000 0.128 0.000 1.318 78 F CB 0.647 39.771 39.000 0.206 0.000 1.035 78 F HN 0.180 nan 8.300 nan 0.000 0.551 79 G N -0.990 107.876 108.800 0.109 0.000 2.141 79 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.231 79 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.231 79 G C -0.309 174.440 174.900 -0.252 0.000 0.984 79 G CA -0.671 44.374 45.100 -0.091 0.000 0.660 79 G HN 0.263 nan 8.290 nan 0.000 0.525 80 W N 1.592 122.943 121.300 0.086 0.000 2.335 80 W HA 0.667 5.327 4.660 -0.000 0.000 0.307 80 W C 0.285 176.834 176.519 0.050 0.000 1.117 80 W CA -0.653 56.730 57.345 0.063 0.000 1.228 80 W CB 0.939 30.439 29.460 0.067 0.000 1.240 80 W HN -0.029 nan 8.180 nan 0.000 0.468 81 E N 4.525 124.810 120.200 0.142 0.000 2.179 81 E HA 0.654 5.004 4.350 -0.000 0.000 0.275 81 E C -0.718 175.964 176.600 0.136 0.000 0.945 81 E CA -0.936 55.526 56.400 0.102 0.000 0.792 81 E CB 1.901 31.617 29.700 0.027 0.000 1.125 81 E HN 0.544 nan 8.360 nan 0.000 0.397 82 L N -0.950 120.340 121.223 0.112 0.000 2.775 82 L HA 0.471 4.811 4.340 -0.000 0.000 0.263 82 L C -0.599 176.311 176.870 0.066 0.000 1.017 82 L CA -1.151 53.747 54.840 0.097 0.000 0.891 82 L CB 1.314 43.443 42.059 0.117 0.000 1.482 82 L HN 0.056 nan 8.230 nan 0.000 0.410 83 D N 0.501 120.932 120.400 0.052 0.000 2.455 83 D HA 0.193 4.833 4.640 -0.000 0.000 0.234 83 D C 0.950 177.273 176.300 0.038 0.000 1.224 83 D CA 0.262 54.285 54.000 0.039 0.000 0.999 83 D CB 0.735 41.553 40.800 0.031 0.000 1.072 83 D HN 0.628 nan 8.370 nan 0.000 0.514 84 R N 1.681 122.206 120.500 0.042 0.000 2.189 84 R HA -0.126 4.213 4.340 -0.000 0.000 0.223 84 R C 1.700 178.018 176.300 0.030 0.000 1.092 84 R CA 1.243 57.367 56.100 0.040 0.000 0.989 84 R CB 0.242 30.572 30.300 0.048 0.000 0.876 84 R HN 0.512 nan 8.270 nan 0.000 0.457 85 E N -0.527 119.689 120.200 0.027 0.000 2.358 85 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 85 E C 1.337 177.948 176.600 0.019 0.000 1.010 85 E CA 1.174 57.587 56.400 0.022 0.000 0.856 85 E CB 0.149 29.861 29.700 0.020 0.000 0.795 85 E HN 0.163 nan 8.360 nan 0.000 0.504 86 S N 0.300 116.012 115.700 0.020 0.000 2.562 86 S HA 0.063 4.533 4.470 -0.000 0.000 0.221 86 S C 0.730 175.338 174.600 0.014 0.000 0.975 86 S CA -0.153 58.057 58.200 0.017 0.000 0.918 86 S CB -0.364 62.847 63.200 0.018 0.000 0.772 86 S HN 0.110 nan 8.310 nan 0.000 0.531 87 V N 3.321 123.243 119.914 0.013 0.000 2.529 87 V HA 0.355 4.475 4.120 -0.000 0.000 0.292 87 V C 0.236 176.330 176.094 -0.000 0.000 1.028 87 V CA -0.001 62.301 62.300 0.003 0.000 1.074 87 V CB -0.249 31.576 31.823 0.004 0.000 0.958 87 V HN 0.410 nan 8.190 nan 0.000 0.481 88 R N 4.666 125.162 120.500 -0.006 0.000 2.512 88 R HA 0.421 4.761 4.340 -0.000 0.000 0.291 88 R C -2.691 173.607 176.300 -0.004 0.000 1.097 88 R CA -1.339 54.763 56.100 0.003 0.000 0.940 88 R CB 1.784 32.096 30.300 0.021 0.000 1.198 88 R HN 0.620 nan 8.270 nan 0.000 0.429 89 P HA 0.215 nan 4.420 nan 0.000 0.276 89 P C -0.707 176.671 177.300 0.129 0.000 1.230 89 P CA -0.402 62.669 63.100 -0.049 0.000 0.776 89 P CB 0.896 32.450 31.700 -0.243 0.000 0.888 90 N N 2.462 121.289 118.700 0.213 0.000 2.564 90 N HA 0.046 4.786 4.740 -0.000 0.000 0.248 90 N C 0.630 176.373 175.510 0.388 0.000 0.986 90 N CA -0.685 52.523 53.050 0.262 0.000 0.921 90 N CB 0.278 38.852 38.487 0.145 0.000 1.136 90 N HN 0.571 nan 8.380 nan 0.000 0.509 91 W N 4.604 126.060 121.300 0.259 0.000 2.388 91 W HA -0.073 4.587 4.660 -0.000 0.000 0.294 91 W C 0.613 177.176 176.519 0.074 0.000 1.212 91 W CA 1.094 58.535 57.345 0.160 0.000 1.271 91 W CB 0.343 29.892 29.460 0.149 0.000 1.126 91 W HN 0.507 nan 8.180 nan 0.000 0.535 92 K N 0.274 120.776 120.400 0.170 0.000 2.057 92 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 92 K C 2.359 178.944 176.600 -0.025 0.000 1.050 92 K CA 1.415 57.740 56.287 0.063 0.000 0.935 92 K CB -0.549 32.031 32.500 0.133 0.000 0.715 92 K HN 0.055 nan 8.250 nan 0.000 0.439 93 A N 1.914 124.744 122.820 0.018 0.000 1.873 93 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 93 A C 2.148 179.693 177.584 -0.065 0.000 1.193 93 A CA 1.518 53.554 52.037 -0.001 0.000 0.629 93 A CB -0.688 18.334 19.000 0.037 0.000 0.826 93 A HN 0.263 nan 8.150 nan 0.000 0.447 94 L N -0.092 121.060 121.223 -0.118 0.000 1.961 94 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 94 L C 2.174 178.855 176.870 -0.315 0.000 1.072 94 L CA 1.934 56.637 54.840 -0.229 0.000 0.749 94 L CB -0.598 41.233 42.059 -0.381 0.000 0.889 94 L HN 0.342 nan 8.230 nan 0.000 0.432 95 I N 0.641 120.922 120.570 -0.482 0.000 2.185 95 I HA -0.350 3.820 4.170 -0.000 0.000 0.246 95 I C 2.694 178.710 176.117 -0.168 0.000 1.088 95 I CA 1.757 62.829 61.300 -0.379 0.000 1.347 95 I CB -2.066 35.710 38.000 -0.373 0.000 1.041 95 I HN 0.479 nan 8.210 nan 0.000 0.415 96 A N 0.317 123.071 122.820 -0.109 0.000 2.015 96 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 96 A C 2.532 180.087 177.584 -0.047 0.000 1.163 96 A CA 1.701 53.714 52.037 -0.040 0.000 0.646 96 A CB -0.545 18.445 19.000 -0.017 0.000 0.806 96 A HN 0.440 nan 8.150 nan 0.000 0.448 97 A N -0.134 122.638 122.820 -0.080 0.000 1.872 97 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 97 A C 2.164 179.694 177.584 -0.089 0.000 1.187 97 A CA 1.675 53.669 52.037 -0.073 0.000 0.614 97 A CB -0.418 18.535 19.000 -0.078 0.000 0.826 97 A HN 0.366 nan 8.150 nan 0.000 0.442 98 K N 0.260 120.582 120.400 -0.129 0.000 1.991 98 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 98 K C 1.681 178.186 176.600 -0.159 0.000 1.049 98 K CA 2.045 58.238 56.287 -0.157 0.000 0.932 98 K CB -0.548 31.834 32.500 -0.196 0.000 0.717 98 K HN 0.392 nan 8.250 nan 0.000 0.441 99 N N 1.460 120.090 118.700 -0.115 0.000 2.061 99 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 99 N C 1.767 177.281 175.510 0.007 0.000 1.030 99 N CA 1.415 54.441 53.050 -0.040 0.000 0.856 99 N CB -0.316 38.251 38.487 0.133 0.000 1.023 99 N HN 0.341 nan 8.380 nan 0.000 0.424 100 K N 0.491 120.889 120.400 -0.003 0.000 2.103 100 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 100 K C 1.835 178.423 176.600 -0.019 0.000 1.048 100 K CA 1.294 57.583 56.287 0.004 0.000 0.930 100 K CB -0.060 32.433 32.500 -0.011 0.000 0.716 100 K HN 0.155 nan 8.250 nan 0.000 0.444 101 A N 0.359 123.143 122.820 -0.060 0.000 1.854 101 A HA -0.064 4.255 4.320 -0.000 0.000 0.214 101 A C 2.201 179.741 177.584 -0.074 0.000 1.192 101 A CA 1.417 53.412 52.037 -0.070 0.000 0.611 101 A CB -0.582 18.365 19.000 -0.089 0.000 0.832 101 A HN 0.142 nan 8.150 nan 0.000 0.442 102 V N -0.021 119.813 119.914 -0.133 0.000 2.407 102 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 102 V C 2.718 178.826 176.094 0.022 0.000 1.055 102 V CA 2.294 64.506 62.300 -0.146 0.000 1.049 102 V CB -0.869 30.716 31.823 -0.397 0.000 0.662 102 V HN 0.522 nan 8.190 nan 0.000 0.455 103 S N 0.479 116.250 115.700 0.119 0.000 2.399 103 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 103 S C 2.071 176.766 174.600 0.158 0.000 1.022 103 S CA 1.244 59.618 58.200 0.290 0.000 0.983 103 S CB -0.518 62.829 63.200 0.245 0.000 0.803 103 S HN 0.711 nan 8.310 nan 0.000 0.480 104 G N 1.516 110.353 108.800 0.061 0.000 2.422 104 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 104 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 104 G C 1.308 176.194 174.900 -0.022 0.000 1.146 104 G CA 0.576 45.685 45.100 0.014 0.000 0.769 104 G HN 0.496 nan 8.290 nan 0.000 0.547 105 I N 0.759 121.308 120.570 -0.034 0.000 2.202 105 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 105 I C 2.545 178.619 176.117 -0.072 0.000 1.091 105 I CA 1.140 62.372 61.300 -0.113 0.000 1.368 105 I CB -0.509 37.446 38.000 -0.076 0.000 1.058 105 I HN 0.187 nan 8.210 nan 0.000 0.410 106 N N 0.954 119.714 118.700 0.099 0.000 2.060 106 N HA -0.243 4.497 4.740 -0.000 0.000 0.195 106 N C 1.346 176.894 175.510 0.063 0.000 1.028 106 N CA 1.735 54.868 53.050 0.139 0.000 0.861 106 N CB -0.160 38.428 38.487 0.168 0.000 1.029 106 N HN 0.316 nan 8.380 nan 0.000 0.428 107 D N -0.110 120.344 120.400 0.091 0.000 2.178 107 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 107 D C 2.088 178.392 176.300 0.007 0.000 0.980 107 D CA 1.085 55.134 54.000 0.082 0.000 0.842 107 D CB -0.350 40.503 40.800 0.088 0.000 0.948 107 D HN 0.350 nan 8.370 nan 0.000 0.472 108 S N -0.559 115.086 115.700 -0.092 0.000 2.428 108 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 108 S C 1.951 176.442 174.600 -0.181 0.000 1.014 108 S CA 0.307 58.402 58.200 -0.174 0.000 0.957 108 S CB -0.537 62.493 63.200 -0.282 0.000 0.784 108 S HN 0.173 nan 8.310 nan 0.000 0.499 109 Y N 2.414 122.697 120.300 -0.028 0.000 2.242 109 Y HA 0.079 4.629 4.550 -0.000 0.000 0.291 109 Y C 2.534 178.512 175.900 0.131 0.000 1.137 109 Y CA 0.610 58.706 58.100 -0.007 0.000 1.181 109 Y CB -0.580 37.870 38.460 -0.015 0.000 0.989 109 Y HN 0.387 nan 8.280 nan 0.000 0.527 110 E N -0.994 119.347 120.200 0.234 0.000 2.077 110 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 110 E C 2.431 179.175 176.600 0.239 0.000 0.989 110 E CA 1.050 57.577 56.400 0.211 0.000 0.800 110 E CB -0.473 29.268 29.700 0.069 0.000 0.746 110 E HN 0.510 nan 8.360 nan 0.000 0.452 111 G N 1.033 109.917 108.800 0.141 0.000 2.572 111 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 111 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 111 G C 1.436 176.410 174.900 0.124 0.000 1.133 111 G CA 0.059 45.227 45.100 0.114 0.000 0.791 111 G HN 0.123 nan 8.290 nan 0.000 0.538 112 M N -0.490 119.170 119.600 0.101 0.000 2.446 112 M HA 0.097 4.577 4.480 -0.000 0.000 0.263 112 M C 1.511 177.818 176.300 0.010 0.000 1.066 112 M CA 1.130 56.444 55.300 0.024 0.000 1.087 112 M CB -0.119 32.420 32.600 -0.101 0.000 1.406 112 M HN 0.267 nan 8.290 nan 0.000 0.459 113 F N -0.366 119.677 119.950 0.156 0.000 2.446 113 F HA 0.204 4.730 4.527 -0.000 0.000 0.292 113 F C 2.299 178.160 175.800 0.102 0.000 1.096 113 F CA 0.722 58.806 58.000 0.141 0.000 1.438 113 F CB -0.407 38.661 39.000 0.114 0.000 1.107 113 F HN 0.131 nan 8.300 nan 0.000 0.546 114 A N -1.089 121.886 122.820 0.259 0.000 2.261 114 A HA 0.011 4.331 4.320 -0.000 0.000 0.208 114 A C 1.195 178.849 177.584 0.117 0.000 1.223 114 A CA 1.001 53.133 52.037 0.159 0.000 0.833 114 A CB -0.548 18.526 19.000 0.124 0.000 0.830 114 A HN 0.258 nan 8.150 nan 0.000 0.483 115 D N -1.513 118.963 120.400 0.126 0.000 2.514 115 D HA 0.078 4.718 4.640 -0.000 0.000 0.225 115 D C -0.488 175.850 176.300 0.064 0.000 1.159 115 D CA 0.516 54.575 54.000 0.099 0.000 0.823 115 D CB 0.853 41.728 40.800 0.126 0.000 1.097 115 D HN 0.190 nan 8.370 nan 0.000 0.519 116 T N 1.599 116.188 114.554 0.058 0.000 2.842 116 T HA 0.246 4.596 4.350 -0.000 0.000 0.308 116 T C -0.143 174.550 174.700 -0.011 0.000 1.041 116 T CA -0.523 61.548 62.100 -0.049 0.000 0.964 116 T CB 1.843 70.634 68.868 -0.128 0.000 0.972 116 T HN -0.103 nan 8.240 nan 0.000 0.460 117 E N 1.597 121.773 120.200 -0.041 0.000 2.417 117 E HA 0.369 4.719 4.350 -0.000 0.000 0.261 117 E C 1.322 177.916 176.600 -0.010 0.000 1.000 117 E CA 0.545 56.938 56.400 -0.012 0.000 0.919 117 E CB 0.351 30.032 29.700 -0.030 0.000 0.955 117 E HN 0.932 nan 8.360 nan 0.000 0.455 118 G N 3.184 112.010 108.800 0.043 0.000 2.317 118 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.227 118 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.227 118 G C 0.215 175.196 174.900 0.135 0.000 1.042 118 G CA -0.444 44.698 45.100 0.069 0.000 0.623 118 G HN 0.480 nan 8.290 nan 0.000 0.509 119 L N 2.941 124.245 121.223 0.136 0.000 2.418 119 L HA 0.530 4.870 4.340 -0.000 0.000 0.274 119 L C 0.711 177.819 176.870 0.398 0.000 1.135 119 L CA 0.751 55.744 54.840 0.256 0.000 0.870 119 L CB 0.864 43.043 42.059 0.201 0.000 1.154 119 L HN 0.500 nan 8.230 nan 0.000 0.462 120 T N 0.969 115.749 114.554 0.376 0.000 2.881 120 T HA 0.404 4.754 4.350 -0.000 0.000 0.290 120 T C -0.689 174.038 174.700 0.044 0.000 1.000 120 T CA -0.659 61.557 62.100 0.193 0.000 0.978 120 T CB 1.577 70.558 68.868 0.189 0.000 0.997 120 T HN 0.232 nan 8.240 nan 0.000 0.443 121 F N 2.728 122.361 119.950 -0.528 0.000 2.399 121 F HA 0.581 5.108 4.527 -0.000 0.000 0.328 121 F C -0.058 175.369 175.800 -0.622 0.000 1.084 121 F CA -0.723 56.919 58.000 -0.597 0.000 1.053 121 F CB 0.953 39.361 39.000 -0.988 0.000 1.209 121 F HN 0.674 nan 8.300 nan 0.000 0.502 122 H N 4.427 122.736 119.070 -1.267 0.000 3.018 122 H HA 0.147 4.703 4.556 -0.000 0.000 0.334 122 H C -1.151 173.537 175.328 -1.067 0.000 0.983 122 H CA -0.643 54.907 56.048 -0.829 0.000 1.363 122 H CB 1.813 31.272 29.762 -0.505 0.000 1.668 122 H HN 0.621 nan 8.280 nan 0.000 0.513 123 Q N 1.811 121.296 119.800 -0.525 0.000 2.261 123 Q HA 0.517 4.856 4.340 -0.000 0.000 0.252 123 Q C -0.003 175.909 176.000 -0.148 0.000 0.915 123 Q CA -0.162 55.475 55.803 -0.277 0.000 0.915 123 Q CB 1.134 29.886 28.738 0.022 0.000 1.204 123 Q HN 1.004 nan 8.270 nan 0.000 0.421 124 G N 1.940 110.652 108.800 -0.147 0.000 2.369 124 G HA2 0.005 3.965 3.960 -0.000 0.000 0.307 124 G HA3 0.005 3.965 3.960 -0.000 0.000 0.307 124 G C -1.734 173.069 174.900 -0.163 0.000 1.327 124 G CA -1.099 43.960 45.100 -0.068 0.000 0.963 124 G HN 0.434 nan 8.290 nan 0.000 0.590 125 F N 2.106 121.997 119.950 -0.098 0.000 2.404 125 F HA 0.513 5.040 4.527 -0.000 0.000 0.359 125 F C 1.422 177.160 175.800 -0.102 0.000 1.134 125 F CA 0.602 58.532 58.000 -0.116 0.000 1.160 125 F CB 1.166 40.099 39.000 -0.112 0.000 1.186 125 F HN 0.675 nan 8.300 nan 0.000 0.526 126 G N 1.926 110.718 108.800 -0.012 0.000 2.527 126 G HA2 0.584 4.544 3.960 -0.000 0.000 0.248 126 G HA3 0.584 4.544 3.960 -0.000 0.000 0.248 126 G C -0.923 173.979 174.900 0.004 0.000 1.231 126 G CA 0.018 45.099 45.100 -0.031 0.000 0.838 126 G HN 0.929 nan 8.290 nan 0.000 0.570 127 A N 0.592 123.406 122.820 -0.011 0.000 2.597 127 A HA 0.609 4.929 4.320 -0.000 0.000 0.292 127 A C -0.959 176.616 177.584 -0.015 0.000 1.057 127 A CA -0.716 51.317 52.037 -0.006 0.000 0.674 127 A CB 0.715 19.716 19.000 0.002 0.000 1.278 127 A HN 0.752 nan 8.150 nan 0.000 0.416 128 L N 1.245 122.459 121.223 -0.014 0.000 2.325 128 L HA 0.508 4.848 4.340 -0.000 0.000 0.279 128 L C 1.401 178.267 176.870 -0.008 0.000 1.054 128 L CA -0.333 54.499 54.840 -0.013 0.000 0.804 128 L CB 1.703 43.753 42.059 -0.016 0.000 1.200 128 L HN 1.056 nan 8.230 nan 0.000 0.436 129 Q N 1.124 120.923 119.800 -0.002 0.000 2.390 129 Q HA 0.037 4.377 4.340 -0.000 0.000 0.216 129 Q C -0.355 175.650 176.000 0.008 0.000 0.916 129 Q CA 0.478 56.283 55.803 0.003 0.000 0.911 129 Q CB 0.807 29.550 28.738 0.008 0.000 1.035 129 Q HN 0.807 nan 8.270 nan 0.000 0.541 130 D N -0.885 119.522 120.400 0.013 0.000 2.671 130 D HA -0.088 4.552 4.640 -0.000 0.000 0.273 130 D C -0.477 175.822 176.300 -0.002 0.000 1.264 130 D CA -0.394 53.617 54.000 0.018 0.000 0.788 130 D CB -0.249 40.577 40.800 0.043 0.000 1.324 130 D HN 0.162 nan 8.370 nan 0.000 0.424 131 N N 0.500 119.181 118.700 -0.033 0.000 2.735 131 N HA -0.172 4.568 4.740 -0.000 0.000 0.200 131 N C -0.100 175.126 175.510 -0.473 0.000 1.383 131 N CA 0.956 53.892 53.050 -0.190 0.000 0.939 131 N CB -0.618 37.744 38.487 -0.207 0.000 1.074 131 N HN 0.478 nan 8.380 nan 0.000 0.449 132 H N -2.286 116.794 119.070 0.018 0.000 3.770 132 H HA 0.141 4.697 4.556 -0.000 0.000 0.264 132 H C -0.463 174.883 175.328 0.030 0.000 1.164 132 H CA -0.218 55.843 56.048 0.022 0.000 1.158 132 H CB 0.800 30.566 29.762 0.008 0.000 1.653 132 H HN 0.117 nan 8.280 nan 0.000 0.795 133 T N 2.282 116.895 114.554 0.098 0.000 2.770 133 T HA 0.413 4.763 4.350 -0.000 0.000 0.283 133 T C -0.011 174.702 174.700 0.021 0.000 0.988 133 T CA -0.346 61.792 62.100 0.063 0.000 0.957 133 T CB 2.363 71.262 68.868 0.051 0.000 0.930 133 T HN -0.137 nan 8.240 nan 0.000 0.443 134 V N 5.810 125.726 119.914 0.004 0.000 2.326 134 V HA 0.371 4.491 4.120 -0.000 0.000 0.281 134 V C -0.016 176.049 176.094 -0.047 0.000 1.015 134 V CA -0.789 61.491 62.300 -0.034 0.000 0.823 134 V CB 0.877 32.658 31.823 -0.070 0.000 1.009 134 V HN 0.757 nan 8.190 nan 0.000 0.436 135 L N 4.941 126.145 121.223 -0.031 0.000 2.395 135 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 135 L C -0.249 176.598 176.870 -0.038 0.000 1.133 135 L CA -0.522 54.301 54.840 -0.028 0.000 0.812 135 L CB 1.270 43.321 42.059 -0.012 0.000 1.125 135 L HN 0.299 nan 8.230 nan 0.000 0.452 136 V N 3.565 123.456 119.914 -0.037 0.000 2.326 136 V HA 0.406 4.526 4.120 -0.000 0.000 0.281 136 V C 0.127 176.228 176.094 0.012 0.000 1.015 136 V CA -0.626 61.655 62.300 -0.032 0.000 0.823 136 V CB 1.045 32.830 31.823 -0.064 0.000 1.009 136 V HN 0.696 nan 8.190 nan 0.000 0.436 137 R N 2.581 123.113 120.500 0.054 0.000 2.598 137 R HA 0.335 4.675 4.340 -0.000 0.000 0.279 137 R C 1.114 177.482 176.300 0.114 0.000 0.984 137 R CA -0.608 55.526 56.100 0.056 0.000 0.999 137 R CB 1.903 32.214 30.300 0.018 0.000 1.114 137 R HN 0.894 nan 8.270 nan 0.000 0.493 138 E N 0.314 120.553 120.200 0.064 0.000 2.478 138 E HA -0.049 4.301 4.350 -0.000 0.000 0.198 138 E C 0.193 176.847 176.600 0.091 0.000 1.046 138 E CA 0.431 56.890 56.400 0.099 0.000 0.870 138 E CB 0.363 30.094 29.700 0.052 0.000 0.818 138 E HN 0.282 nan 8.360 nan 0.000 0.527 139 S N -1.883 113.756 115.700 -0.102 0.000 2.656 139 S HA 0.585 5.055 4.470 -0.000 0.000 0.273 139 S C 0.028 174.062 174.600 -0.943 0.000 1.168 139 S CA -0.185 57.670 58.200 -0.574 0.000 0.817 139 S CB 1.232 64.237 63.200 -0.326 0.000 1.146 139 S HN 0.148 nan 8.310 nan 0.000 0.475 140 A N 0.927 122.931 122.820 -1.360 0.000 2.119 140 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 140 A C 0.765 178.141 177.584 -0.346 0.000 1.152 140 A CA 0.707 52.263 52.037 -0.803 0.000 0.708 140 A CB -0.546 18.073 19.000 -0.635 0.000 0.805 140 A HN 0.786 nan 8.150 nan 0.000 0.460 141 D N 0.669 120.889 120.400 -0.300 0.000 2.382 141 D HA 0.050 4.689 4.640 -0.000 0.000 0.259 141 D C -1.407 174.817 176.300 -0.127 0.000 1.224 141 D CA -1.436 52.462 54.000 -0.169 0.000 0.894 141 D CB 1.034 41.748 40.800 -0.143 0.000 1.127 141 D HN 0.041 nan 8.370 nan 0.000 0.487 142 P HA -0.222 nan 4.420 nan 0.000 0.222 142 P C 0.656 177.926 177.300 -0.049 0.000 1.154 142 P CA 1.415 64.479 63.100 -0.060 0.000 0.874 142 P CB 0.001 31.674 31.700 -0.046 0.000 0.787 143 N N -1.541 117.129 118.700 -0.051 0.000 2.214 143 N HA 0.031 4.770 4.740 -0.000 0.000 0.214 143 N C 0.163 175.647 175.510 -0.042 0.000 1.132 143 N CA -0.096 52.931 53.050 -0.039 0.000 0.856 143 N CB 0.023 38.491 38.487 -0.032 0.000 1.020 143 N HN 0.122 nan 8.380 nan 0.000 0.509 144 S N 0.514 116.179 115.700 -0.059 0.000 2.589 144 S HA 0.459 4.929 4.470 -0.000 0.000 0.265 144 S C 0.747 175.324 174.600 -0.038 0.000 1.342 144 S CA -0.660 57.504 58.200 -0.059 0.000 1.005 144 S CB 0.936 64.078 63.200 -0.097 0.000 0.909 144 S HN 0.391 nan 8.310 nan 0.000 0.555 145 A N 0.931 123.735 122.820 -0.027 0.000 2.587 145 A HA 0.362 4.682 4.320 -0.000 0.000 0.235 145 A C 0.048 177.629 177.584 -0.006 0.000 1.044 145 A CA -0.421 51.608 52.037 -0.012 0.000 0.754 145 A CB -0.439 18.558 19.000 -0.005 0.000 0.968 145 A HN 0.948 nan 8.150 nan 0.000 0.509 146 V N 5.578 125.491 119.914 -0.002 0.000 2.304 146 V HA 0.093 4.213 4.120 -0.000 0.000 0.269 146 V C 1.270 177.368 176.094 0.007 0.000 1.036 146 V CA -0.084 62.217 62.300 0.002 0.000 0.840 146 V CB 0.437 32.260 31.823 -0.001 0.000 1.036 146 V HN 0.876 nan 8.190 nan 0.000 0.466 147 L N 2.647 123.877 121.223 0.012 0.000 2.027 147 L HA 0.079 4.419 4.340 -0.000 0.000 0.206 147 L C 1.059 177.938 176.870 0.015 0.000 1.074 147 L CA 1.486 56.336 54.840 0.016 0.000 0.745 147 L CB 0.009 42.080 42.059 0.020 0.000 0.898 147 L HN 0.593 nan 8.230 nan 0.000 0.433 148 E N -1.472 118.731 120.200 0.004 0.000 2.423 148 E HA 0.429 4.779 4.350 -0.000 0.000 0.269 148 E C -1.125 175.470 176.600 -0.009 0.000 0.948 148 E CA -0.537 55.864 56.400 0.001 0.000 0.802 148 E CB 2.435 32.126 29.700 -0.016 0.000 1.339 148 E HN -0.148 nan 8.360 nan 0.000 0.445 149 T N 1.410 115.965 114.554 0.002 0.000 3.348 149 T HA 0.332 4.682 4.350 -0.000 0.000 0.328 149 T C -0.903 173.824 174.700 0.044 0.000 0.913 149 T CA -0.588 61.519 62.100 0.011 0.000 1.043 149 T CB 0.055 68.936 68.868 0.020 0.000 1.021 149 T HN 0.187 nan 8.240 nan 0.000 0.461 150 L N 2.600 123.838 121.223 0.025 0.000 2.282 150 L HA 0.598 4.938 4.340 -0.000 0.000 0.288 150 L C 0.044 177.019 176.870 0.175 0.000 1.033 150 L CA -0.834 54.086 54.840 0.133 0.000 0.807 150 L CB 1.007 42.965 42.059 -0.169 0.000 1.209 150 L HN 0.491 nan 8.230 nan 0.000 0.423 151 D N 1.712 122.262 120.400 0.251 0.000 2.249 151 D HA 0.455 5.095 4.640 -0.000 0.000 0.246 151 D C -0.536 175.917 176.300 0.255 0.000 1.114 151 D CA 0.116 54.223 54.000 0.177 0.000 0.854 151 D CB 1.363 42.213 40.800 0.083 0.000 1.132 151 D HN 0.495 nan 8.370 nan 0.000 0.461 152 T N 2.351 117.048 114.554 0.237 0.000 2.868 152 T HA 0.197 4.547 4.350 -0.000 0.000 0.306 152 T C 0.515 175.396 174.700 0.302 0.000 1.224 152 T CA -0.590 61.672 62.100 0.270 0.000 1.012 152 T CB 1.532 70.556 68.868 0.260 0.000 1.221 152 T HN 0.263 nan 8.240 nan 0.000 0.499 153 E N 1.425 121.775 120.200 0.251 0.000 2.008 153 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 153 E C -0.326 176.275 176.600 0.002 0.000 0.986 153 E CA 1.519 57.998 56.400 0.132 0.000 0.807 153 E CB -0.003 29.746 29.700 0.082 0.000 0.766 153 E HN 0.651 nan 8.360 nan 0.000 0.450 154 Y N -0.992 119.465 120.300 0.262 0.000 2.549 154 Y HA 0.513 5.063 4.550 -0.000 0.000 0.339 154 Y C 0.125 176.137 175.900 0.187 0.000 1.053 154 Y CA -0.735 57.497 58.100 0.220 0.000 1.105 154 Y CB 1.589 40.211 38.460 0.270 0.000 1.258 154 Y HN -0.164 nan 8.280 nan 0.000 0.478 155 I N 3.345 124.098 120.570 0.305 0.000 2.478 155 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 155 I C -1.498 174.681 176.117 0.103 0.000 1.042 155 I CA -0.842 60.550 61.300 0.153 0.000 1.067 155 I CB 1.819 39.856 38.000 0.062 0.000 1.233 155 I HN 0.286 nan 8.210 nan 0.000 0.431 156 L N 7.934 129.156 121.223 -0.002 0.000 2.309 156 L HA 0.570 4.910 4.340 -0.000 0.000 0.282 156 L C -1.062 175.763 176.870 -0.076 0.000 1.036 156 L CA -0.379 54.367 54.840 -0.157 0.000 0.806 156 L CB 1.459 43.278 42.059 -0.399 0.000 1.220 156 L HN 0.438 nan 8.230 nan 0.000 0.429 157 L N 5.906 127.095 121.223 -0.058 0.000 2.313 157 L HA 0.639 4.979 4.340 -0.000 0.000 0.273 157 L C 0.026 176.880 176.870 -0.027 0.000 1.028 157 L CA -0.172 54.650 54.840 -0.030 0.000 0.871 157 L CB 1.305 43.358 42.059 -0.011 0.000 1.242 157 L HN 0.809 nan 8.230 nan 0.000 0.434 158 A N 1.016 123.823 122.820 -0.023 0.000 3.248 158 A HA 0.372 4.692 4.320 -0.000 0.000 0.315 158 A C 0.835 178.428 177.584 0.013 0.000 0.974 158 A CA -0.288 51.747 52.037 -0.003 0.000 0.939 158 A CB -0.179 18.816 19.000 -0.009 0.000 1.061 158 A HN 0.629 nan 8.150 nan 0.000 0.481 159 T N -2.214 112.350 114.554 0.016 0.000 3.206 159 T HA 0.464 4.814 4.350 -0.000 0.000 0.253 159 T C 1.198 175.934 174.700 0.060 0.000 1.042 159 T CA 0.687 62.799 62.100 0.020 0.000 0.931 159 T CB -0.419 68.447 68.868 -0.004 0.000 1.029 159 T HN 1.933 nan 8.240 nan 0.000 0.564 160 G N 2.075 110.922 108.800 0.077 0.000 2.578 160 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.275 160 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.275 160 G C 0.098 175.083 174.900 0.143 0.000 1.271 160 G CA 0.178 45.348 45.100 0.117 0.000 0.941 160 G HN 1.483 nan 8.290 nan 0.000 0.564 161 S N -1.874 113.943 115.700 0.195 0.000 2.921 161 S HA 0.849 5.319 4.470 -0.000 0.000 0.315 161 S C -0.678 174.162 174.600 0.400 0.000 1.087 161 S CA 0.266 58.604 58.200 0.230 0.000 0.877 161 S CB 2.559 65.859 63.200 0.167 0.000 1.340 161 S HN 1.996 nan 8.310 nan 0.000 0.622 162 W N 0.340 121.684 121.300 0.073 0.000 3.298 162 W HA 0.359 5.019 4.660 -0.000 0.000 0.302 162 W C -3.528 173.034 176.519 0.073 0.000 1.255 162 W CA -1.591 55.804 57.345 0.083 0.000 1.196 162 W CB 1.083 30.603 29.460 0.099 0.000 1.364 162 W HN 0.499 nan 8.180 nan 0.000 0.566 163 P HA -0.030 nan 4.420 nan 0.000 0.267 163 P C -0.829 176.447 177.300 -0.041 0.000 1.200 163 P CA 0.647 63.569 63.100 -0.297 0.000 0.772 163 P CB 0.607 31.993 31.700 -0.523 0.000 0.855 164 Q N 2.598 122.368 119.800 -0.049 0.000 2.256 164 Q HA 0.222 4.562 4.340 -0.000 0.000 0.257 164 Q C -0.656 175.313 176.000 -0.052 0.000 0.936 164 Q CA -0.475 55.367 55.803 0.065 0.000 0.903 164 Q CB 0.645 29.415 28.738 0.053 0.000 1.263 164 Q HN 0.580 nan 8.270 nan 0.000 0.440 165 H N 3.038 122.125 119.070 0.028 0.000 2.616 165 H HA 0.435 4.991 4.556 -0.000 0.000 0.353 165 H C -0.398 174.940 175.328 0.016 0.000 1.170 165 H CA -0.782 55.274 56.048 0.014 0.000 1.212 165 H CB 1.445 31.225 29.762 0.030 0.000 1.653 165 H HN 0.542 nan 8.280 nan 0.000 0.537 166 L N -0.834 120.457 121.223 0.113 0.000 2.334 166 L HA 0.547 4.886 4.340 -0.000 0.000 0.275 166 L C 0.975 177.888 176.870 0.071 0.000 1.036 166 L CA -1.135 53.747 54.840 0.070 0.000 0.807 166 L CB 0.907 42.984 42.059 0.031 0.000 1.231 166 L HN 0.624 nan 8.230 nan 0.000 0.438 167 G N 2.957 111.788 108.800 0.051 0.000 3.008 167 G HA2 0.457 4.417 3.960 -0.000 0.000 0.272 167 G HA3 0.457 4.417 3.960 -0.000 0.000 0.272 167 G C -0.229 174.686 174.900 0.025 0.000 0.764 167 G CA -0.086 45.036 45.100 0.038 0.000 2.029 167 G HN 0.525 nan 8.290 nan 0.000 0.587 168 I N -3.199 117.385 120.570 0.025 0.000 3.067 168 I HA 0.576 4.746 4.170 -0.000 0.000 0.312 168 I C -0.145 175.978 176.117 0.010 0.000 1.073 168 I CA -2.187 59.120 61.300 0.011 0.000 1.016 168 I CB 1.443 39.443 38.000 -0.000 0.000 1.227 168 I HN 0.021 nan 8.210 nan 0.000 0.456 169 E N 1.627 121.828 120.200 0.002 0.000 2.324 169 E HA 0.378 4.728 4.350 -0.000 0.000 0.271 169 E C 0.751 177.351 176.600 -0.000 0.000 1.028 169 E CA 0.932 57.334 56.400 0.003 0.000 0.890 169 E CB 0.414 30.114 29.700 0.000 0.000 1.004 169 E HN 1.099 nan 8.360 nan 0.000 0.431 170 G N 4.633 113.437 108.800 0.007 0.000 2.132 170 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.234 170 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.234 170 G C 0.720 175.628 174.900 0.013 0.000 0.989 170 G CA 0.340 45.444 45.100 0.006 0.000 0.676 170 G HN 0.737 nan 8.290 nan 0.000 0.522 171 D N 1.280 121.696 120.400 0.028 0.000 2.144 171 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 171 D C 1.836 178.183 176.300 0.078 0.000 0.984 171 D CA 1.417 55.452 54.000 0.059 0.000 0.834 171 D CB -0.140 40.710 40.800 0.084 0.000 0.955 171 D HN 0.539 nan 8.370 nan 0.000 0.465 172 D N 0.289 120.723 120.400 0.056 0.000 2.378 172 D HA -0.116 4.523 4.640 -0.000 0.000 0.227 172 D C 1.881 178.208 176.300 0.045 0.000 1.012 172 D CA 0.090 54.124 54.000 0.057 0.000 0.905 172 D CB -0.456 40.367 40.800 0.039 0.000 0.895 172 D HN 0.370 nan 8.370 nan 0.000 0.532 173 L N 0.097 121.339 121.223 0.031 0.000 2.628 173 L HA 0.211 4.551 4.340 -0.000 0.000 0.229 173 L C 0.245 177.120 176.870 0.008 0.000 1.137 173 L CA -0.259 54.592 54.840 0.019 0.000 0.909 173 L CB 0.268 42.335 42.059 0.013 0.000 1.137 173 L HN 0.029 nan 8.230 nan 0.000 0.470 174 C N 0.101 119.409 119.300 0.013 0.000 2.470 174 C HA 0.654 5.114 4.460 -0.000 0.000 0.341 174 C C 0.428 175.409 174.990 -0.015 0.000 1.190 174 C CA -1.151 57.856 59.018 -0.018 0.000 1.904 174 C CB 1.530 29.249 27.740 -0.034 0.000 2.354 174 C HN 0.270 nan 8.230 nan 0.000 0.509 175 I N 0.036 120.569 120.570 -0.062 0.000 3.133 175 I HA 0.897 5.067 4.170 -0.000 0.000 0.311 175 I C 0.262 176.276 176.117 -0.171 0.000 1.072 175 I CA -0.174 61.079 61.300 -0.078 0.000 1.015 175 I CB 1.794 39.753 38.000 -0.069 0.000 1.233 175 I HN 0.738 nan 8.210 nan 0.000 0.473 176 T N -1.869 112.544 114.554 -0.235 0.000 2.762 176 T HA 0.299 4.649 4.350 -0.000 0.000 0.272 176 T C 1.076 175.528 174.700 -0.413 0.000 0.982 176 T CA 0.029 61.921 62.100 -0.347 0.000 1.013 176 T CB 0.977 69.592 68.868 -0.421 0.000 1.309 176 T HN 0.879 nan 8.240 nan 0.000 0.572 177 S N 0.695 116.106 115.700 -0.481 0.000 2.400 177 S HA -0.196 4.273 4.470 -0.000 0.000 0.232 177 S C 1.672 176.052 174.600 -0.367 0.000 1.025 177 S CA 1.493 59.323 58.200 -0.617 0.000 0.993 177 S CB -1.105 61.858 63.200 -0.396 0.000 0.808 177 S HN 0.646 nan 8.310 nan 0.000 0.478 178 N N 1.769 120.269 118.700 -0.333 0.000 2.069 178 N HA -0.072 4.667 4.740 -0.000 0.000 0.191 178 N C 1.750 177.119 175.510 -0.235 0.000 1.031 178 N CA 1.851 54.687 53.050 -0.358 0.000 0.852 178 N CB -0.590 37.356 38.487 -0.902 0.000 1.018 178 N HN 0.563 nan 8.380 nan 0.000 0.423 179 E N 1.006 121.049 120.200 -0.261 0.000 2.016 179 E HA 0.068 4.418 4.350 -0.000 0.000 0.190 179 E C 2.000 178.712 176.600 0.185 0.000 0.985 179 E CA 1.090 57.534 56.400 0.074 0.000 0.802 179 E CB -0.735 28.985 29.700 0.033 0.000 0.762 179 E HN 0.300 nan 8.360 nan 0.000 0.448 180 A N 0.478 123.278 122.820 -0.034 0.000 2.001 180 A HA -0.269 4.051 4.320 -0.000 0.000 0.224 180 A C 1.865 179.538 177.584 0.148 0.000 1.203 180 A CA 1.870 53.894 52.037 -0.020 0.000 0.667 180 A CB -1.180 17.500 19.000 -0.533 0.000 0.823 180 A HN 0.302 nan 8.150 nan 0.000 0.473 181 F N -2.782 117.203 119.950 0.057 0.000 2.771 181 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 181 F C 0.989 176.521 175.800 -0.446 0.000 1.177 181 F CA 0.823 58.736 58.000 -0.144 0.000 1.450 181 F CB -0.133 38.660 39.000 -0.345 0.000 1.114 181 F HN 0.341 nan 8.300 nan 0.000 0.587 182 Y N -1.319 119.239 120.300 0.431 0.000 2.672 182 Y HA 0.305 4.854 4.550 -0.000 0.000 0.252 182 Y C 0.521 176.632 175.900 0.351 0.000 1.132 182 Y CA -1.048 57.263 58.100 0.353 0.000 1.228 182 Y CB -0.264 38.400 38.460 0.341 0.000 1.310 182 Y HN -0.271 nan 8.280 nan 0.000 0.549 183 L N 1.257 122.784 121.223 0.507 0.000 2.559 183 L HA -0.128 4.212 4.340 -0.000 0.000 0.282 183 L C 1.086 178.282 176.870 0.544 0.000 1.232 183 L CA 0.522 55.621 54.840 0.432 0.000 0.885 183 L CB 0.610 42.851 42.059 0.304 0.000 1.131 183 L HN 0.223 nan 8.230 nan 0.000 0.498 184 D N 1.281 121.874 120.400 0.321 0.000 2.123 184 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 184 D C 0.094 176.599 176.300 0.341 0.000 0.976 184 D CA 1.363 55.539 54.000 0.294 0.000 0.831 184 D CB 0.434 41.338 40.800 0.173 0.000 0.974 184 D HN 0.528 nan 8.370 nan 0.000 0.469 185 E N -1.178 119.106 120.200 0.140 0.000 2.314 185 E HA 0.621 4.971 4.350 -0.000 0.000 0.272 185 E C -1.171 175.111 176.600 -0.530 0.000 0.884 185 E CA -0.742 55.645 56.400 -0.022 0.000 0.753 185 E CB 2.075 31.780 29.700 0.009 0.000 1.213 185 E HN 0.096 nan 8.360 nan 0.000 0.432 186 A N 3.948 126.195 122.820 -0.956 0.000 2.520 186 A HA 0.306 4.626 4.320 -0.000 0.000 0.245 186 A C -1.994 175.228 177.584 -0.603 0.000 1.072 186 A CA -0.838 50.481 52.037 -1.197 0.000 0.761 186 A CB -0.482 18.072 19.000 -0.743 0.000 1.004 186 A HN 0.349 nan 8.150 nan 0.000 0.499 187 P HA 0.110 nan 4.420 nan 0.000 0.271 187 P C 0.257 177.405 177.300 -0.254 0.000 1.218 187 P CA -0.216 62.623 63.100 -0.434 0.000 0.780 187 P CB 1.092 32.449 31.700 -0.572 0.000 0.901 188 K N 2.171 122.484 120.400 -0.145 0.000 2.044 188 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 188 K C 0.666 177.247 176.600 -0.032 0.000 1.045 188 K CA 0.721 56.969 56.287 -0.066 0.000 0.951 188 K CB 0.252 32.726 32.500 -0.044 0.000 0.738 188 K HN 0.401 nan 8.250 nan 0.000 0.443 189 R N 0.233 120.724 120.500 -0.014 0.000 2.393 189 R HA 0.471 4.811 4.340 -0.000 0.000 0.310 189 R C -1.214 175.153 176.300 0.110 0.000 0.968 189 R CA -0.467 55.687 56.100 0.090 0.000 0.867 189 R CB 1.996 32.343 30.300 0.080 0.000 1.124 189 R HN 0.144 nan 8.270 nan 0.000 0.450 190 A N 2.969 125.853 122.820 0.106 0.000 2.475 190 A HA 0.622 4.942 4.320 -0.000 0.000 0.301 190 A C -1.746 175.715 177.584 -0.205 0.000 1.059 190 A CA -0.668 51.312 52.037 -0.095 0.000 0.710 190 A CB 1.724 20.552 19.000 -0.286 0.000 1.288 190 A HN 0.530 nan 8.150 nan 0.000 0.408 191 L N 1.409 122.358 121.223 -0.456 0.000 2.349 191 L HA 0.672 5.011 4.340 -0.000 0.000 0.278 191 L C -1.125 175.602 176.870 -0.238 0.000 0.996 191 L CA -0.166 54.320 54.840 -0.591 0.000 0.825 191 L CB 1.296 42.689 42.059 -1.111 0.000 1.243 191 L HN 0.660 nan 8.230 nan 0.000 0.412 192 C N 4.891 124.127 119.300 -0.106 0.000 2.255 192 C HA 0.622 5.082 4.460 -0.000 0.000 0.326 192 C C 0.094 175.064 174.990 -0.034 0.000 1.258 192 C CA -0.877 58.122 59.018 -0.031 0.000 1.676 192 C CB 0.519 28.277 27.740 0.030 0.000 2.314 192 C HN 0.562 nan 8.230 nan 0.000 0.509 193 V N 4.165 124.056 119.914 -0.039 0.000 2.370 193 V HA 0.888 5.008 4.120 -0.000 0.000 0.279 193 V C 0.547 176.651 176.094 0.018 0.000 1.029 193 V CA 0.557 62.858 62.300 0.002 0.000 0.870 193 V CB 0.823 32.639 31.823 -0.012 0.000 0.984 193 V HN 1.275 nan 8.190 nan 0.000 0.451 194 G N 3.552 112.411 108.800 0.097 0.000 2.453 194 G HA2 0.301 4.261 3.960 -0.000 0.000 0.665 194 G HA3 0.301 4.261 3.960 -0.000 0.000 0.665 194 G C 0.152 175.078 174.900 0.043 0.000 1.411 194 G CA -0.361 44.822 45.100 0.138 0.000 0.889 194 G HN 1.084 nan 8.290 nan 0.000 0.651 195 G N -0.171 108.557 108.800 -0.121 0.000 3.393 195 G HA2 0.615 4.574 3.960 -0.000 0.000 0.255 195 G HA3 0.615 4.574 3.960 -0.000 0.000 0.255 195 G C 1.023 175.735 174.900 -0.314 0.000 1.097 195 G CA 1.152 45.930 45.100 -0.536 0.000 0.780 195 G HN 1.377 nan 8.290 nan 0.000 0.540 196 G N -0.099 108.617 108.800 -0.140 0.000 2.570 196 G HA2 0.268 4.228 3.960 -0.000 0.000 0.276 196 G HA3 0.268 4.228 3.960 -0.000 0.000 0.276 196 G C 0.800 175.680 174.900 -0.033 0.000 1.346 196 G CA 0.083 45.159 45.100 -0.039 0.000 1.034 196 G HN 0.379 nan 8.290 nan 0.000 0.512 197 Y N -1.864 118.424 120.300 -0.021 0.000 2.420 197 Y HA 0.264 4.814 4.550 -0.000 0.000 0.292 197 Y C 2.290 178.193 175.900 0.004 0.000 1.119 197 Y CA 0.410 58.481 58.100 -0.048 0.000 1.229 197 Y CB -0.241 38.215 38.460 -0.006 0.000 1.026 197 Y HN 0.217 nan 8.280 nan 0.000 0.554 198 I N 0.266 120.443 120.570 -0.655 0.000 2.315 198 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 198 I C 2.710 178.777 176.117 -0.083 0.000 1.117 198 I CA 1.734 62.782 61.300 -0.419 0.000 1.404 198 I CB -0.331 37.393 38.000 -0.460 0.000 1.071 198 I HN 0.440 nan 8.210 nan 0.000 0.419 199 S N 0.839 116.474 115.700 -0.109 0.000 2.395 199 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 199 S C 2.044 176.629 174.600 -0.025 0.000 1.027 199 S CA 0.823 58.993 58.200 -0.050 0.000 0.965 199 S CB -0.144 63.014 63.200 -0.069 0.000 0.812 199 S HN 0.331 nan 8.310 nan 0.000 0.482 200 I N 1.148 121.688 120.570 -0.050 0.000 2.394 200 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 200 I C 2.517 178.607 176.117 -0.045 0.000 1.136 200 I CA 1.226 62.494 61.300 -0.053 0.000 1.425 200 I CB -0.251 37.699 38.000 -0.082 0.000 1.079 200 I HN 0.433 nan 8.210 nan 0.000 0.425 201 E N 0.325 120.505 120.200 -0.034 0.000 2.047 201 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 201 E C 2.031 178.472 176.600 -0.264 0.000 0.987 201 E CA 1.254 57.595 56.400 -0.098 0.000 0.799 201 E CB -0.081 29.589 29.700 -0.049 0.000 0.752 201 E HN 0.344 nan 8.360 nan 0.000 0.449 202 F N 0.622 120.408 119.950 -0.274 0.000 2.407 202 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 202 F C 2.178 177.701 175.800 -0.462 0.000 1.097 202 F CA 0.803 58.498 58.000 -0.509 0.000 1.422 202 F CB -0.050 38.599 39.000 -0.585 0.000 1.067 202 F HN 0.009 nan 8.300 nan 0.000 0.539 203 A N -0.196 122.593 122.820 -0.051 0.000 1.897 203 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 203 A C 2.549 180.147 177.584 0.024 0.000 1.181 203 A CA 1.425 53.490 52.037 0.047 0.000 0.620 203 A CB -1.453 17.570 19.000 0.038 0.000 0.821 203 A HN 0.360 nan 8.150 nan 0.000 0.443 204 G N -0.104 108.672 108.800 -0.040 0.000 2.432 204 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 204 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 204 G C 1.495 176.391 174.900 -0.006 0.000 1.135 204 G CA 1.091 46.179 45.100 -0.020 0.000 0.767 204 G HN 0.464 nan 8.290 nan 0.000 0.550 205 I N -0.327 120.171 120.570 -0.120 0.000 2.233 205 I HA -0.022 4.148 4.170 -0.000 0.000 0.243 205 I C 2.215 178.443 176.117 0.186 0.000 1.093 205 I CA 0.574 61.830 61.300 -0.073 0.000 1.380 205 I CB -0.148 37.594 38.000 -0.429 0.000 1.067 205 I HN 0.025 nan 8.210 nan 0.000 0.413 206 F N 0.695 120.725 119.950 0.133 0.000 2.269 206 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 206 F C 2.263 178.122 175.800 0.099 0.000 1.082 206 F CA 1.032 59.086 58.000 0.090 0.000 1.360 206 F CB -1.248 37.766 39.000 0.023 0.000 1.041 206 F HN 0.231 nan 8.300 nan 0.000 0.512 207 N N -0.025 118.833 118.700 0.264 0.000 2.416 207 N HA -0.045 4.695 4.740 -0.000 0.000 0.177 207 N C 1.802 177.404 175.510 0.154 0.000 1.036 207 N CA 0.746 53.896 53.050 0.167 0.000 0.901 207 N CB 0.157 38.708 38.487 0.107 0.000 0.976 207 N HN 0.221 nan 8.380 nan 0.000 0.444 208 A N -0.479 122.468 122.820 0.213 0.000 2.030 208 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 208 A C 0.653 178.257 177.584 0.033 0.000 1.164 208 A CA 0.515 52.628 52.037 0.127 0.000 0.697 208 A CB -0.226 18.872 19.000 0.164 0.000 0.827 208 A HN 0.357 nan 8.150 nan 0.000 0.457 209 Y N 1.065 121.481 120.300 0.192 0.000 2.607 209 Y HA 0.191 4.741 4.550 -0.000 0.000 0.266 209 Y C 0.647 176.623 175.900 0.126 0.000 1.178 209 Y CA -0.466 57.769 58.100 0.224 0.000 1.226 209 Y CB 0.076 38.803 38.460 0.446 0.000 1.144 209 Y HN 0.318 nan 8.280 nan 0.000 0.528 210 K N 0.209 120.713 120.400 0.174 0.000 2.185 210 K HA 0.692 5.012 4.320 -0.000 0.000 0.271 210 K C 0.139 176.770 176.600 0.051 0.000 1.013 210 K CA -0.599 55.736 56.287 0.079 0.000 0.943 210 K CB 1.264 33.802 32.500 0.064 0.000 0.998 210 K HN 0.018 nan 8.250 nan 0.000 0.468 211 A N 3.026 125.862 122.820 0.026 0.000 2.498 211 A HA 0.071 4.391 4.320 -0.000 0.000 0.239 211 A C -0.079 177.516 177.584 0.019 0.000 1.068 211 A CA -0.373 51.677 52.037 0.022 0.000 0.766 211 A CB -0.039 18.966 19.000 0.009 0.000 1.003 211 A HN 0.800 nan 8.150 nan 0.000 0.497 212 R N 0.744 121.255 120.500 0.018 0.000 2.494 212 R HA 0.238 4.578 4.340 -0.000 0.000 0.291 212 R C 1.403 177.710 176.300 0.012 0.000 0.953 212 R CA 1.381 57.491 56.100 0.016 0.000 1.098 212 R CB -0.077 30.232 30.300 0.015 0.000 0.911 212 R HN 1.487 nan 8.270 nan 0.000 0.407 213 G N 1.795 110.602 108.800 0.012 0.000 2.279 213 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.223 213 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.223 213 G C 0.637 175.542 174.900 0.009 0.000 1.015 213 G CA -0.324 44.781 45.100 0.009 0.000 0.621 213 G HN 0.933 nan 8.290 nan 0.000 0.506 214 G N -0.330 108.477 108.800 0.012 0.000 2.794 214 G HA2 0.436 4.396 3.960 -0.000 0.000 0.249 214 G HA3 0.436 4.396 3.960 -0.000 0.000 0.249 214 G C -0.047 174.869 174.900 0.028 0.000 1.236 214 G CA 1.346 46.455 45.100 0.015 0.000 0.880 214 G HN 0.957 nan 8.290 nan 0.000 0.586 215 Q N -2.086 117.740 119.800 0.044 0.000 2.377 215 Q HA 0.568 4.908 4.340 -0.000 0.000 0.279 215 Q C -1.407 174.653 176.000 0.099 0.000 1.049 215 Q CA -0.582 55.261 55.803 0.066 0.000 0.825 215 Q CB 2.580 31.361 28.738 0.072 0.000 1.401 215 Q HN 0.450 nan 8.270 nan 0.000 0.404 216 V N 3.300 123.271 119.914 0.095 0.000 2.447 216 V HA 0.446 4.566 4.120 -0.000 0.000 0.292 216 V C -1.364 174.776 176.094 0.077 0.000 1.021 216 V CA -0.734 61.625 62.300 0.099 0.000 0.850 216 V CB 1.856 33.750 31.823 0.118 0.000 1.005 216 V HN 0.778 nan 8.190 nan 0.000 0.426 217 D N 3.880 124.321 120.400 0.068 0.000 2.192 217 D HA 0.582 5.222 4.640 -0.000 0.000 0.246 217 D C -0.582 175.706 176.300 -0.019 0.000 1.042 217 D CA -0.082 53.938 54.000 0.034 0.000 0.847 217 D CB 2.440 43.293 40.800 0.089 0.000 1.186 217 D HN 0.424 nan 8.370 nan 0.000 0.461 218 L N 1.804 123.019 121.223 -0.013 0.000 2.316 218 L HA 0.696 5.036 4.340 -0.000 0.000 0.280 218 L C -1.015 175.854 176.870 -0.001 0.000 1.006 218 L CA -0.555 54.280 54.840 -0.009 0.000 0.836 218 L CB 0.965 43.019 42.059 -0.008 0.000 1.221 218 L HN 0.447 nan 8.230 nan 0.000 0.418 219 A N 4.532 127.362 122.820 0.016 0.000 2.304 219 A HA 0.635 4.955 4.320 -0.000 0.000 0.323 219 A C -1.779 175.879 177.584 0.125 0.000 1.195 219 A CA -0.331 51.729 52.037 0.038 0.000 0.826 219 A CB 0.884 19.931 19.000 0.078 0.000 1.184 219 A HN 0.668 nan 8.150 nan 0.000 0.496 220 Y N 1.540 121.814 120.300 -0.042 0.000 2.470 220 Y HA 0.455 5.005 4.550 -0.000 0.000 0.341 220 Y C 0.881 176.738 175.900 -0.071 0.000 1.021 220 Y CA -1.038 57.032 58.100 -0.050 0.000 1.025 220 Y CB 1.615 40.039 38.460 -0.060 0.000 1.266 220 Y HN 0.823 nan 8.280 nan 0.000 0.448 221 R N 2.563 122.609 120.500 -0.757 0.000 2.083 221 R HA -0.031 4.309 4.340 -0.000 0.000 0.237 221 R C 1.007 176.812 176.300 -0.826 0.000 1.137 221 R CA 1.696 57.383 56.100 -0.687 0.000 0.951 221 R CB -0.468 29.471 30.300 -0.601 0.000 0.851 221 R HN 0.936 nan 8.270 nan 0.000 0.434 222 G N -0.531 107.452 108.800 -1.361 0.000 2.494 222 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.270 222 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.270 222 G C 0.019 174.596 174.900 -0.539 0.000 1.423 222 G CA 0.255 44.913 45.100 -0.737 0.000 1.055 222 G HN 0.410 nan 8.290 nan 0.000 0.536 223 D N -1.962 118.317 120.400 -0.203 0.000 2.301 223 D HA 0.073 4.713 4.640 -0.000 0.000 0.206 223 D C 0.893 177.264 176.300 0.118 0.000 0.979 223 D CA 0.447 54.436 54.000 -0.018 0.000 0.874 223 D CB 0.386 41.267 40.800 0.134 0.000 0.968 223 D HN 0.251 nan 8.370 nan 0.000 0.510 224 M N 0.867 120.572 119.600 0.176 0.000 2.371 224 M HA 0.344 4.824 4.480 -0.000 0.000 0.287 224 M C -1.059 175.225 176.300 -0.027 0.000 1.149 224 M CA -0.956 54.395 55.300 0.086 0.000 0.929 224 M CB 2.855 35.489 32.600 0.055 0.000 1.683 224 M HN -0.021 nan 8.290 nan 0.000 0.470 225 I N 1.059 121.522 120.570 -0.178 0.000 3.269 225 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 225 I C -0.098 175.843 176.117 -0.293 0.000 1.152 225 I CA -0.712 60.319 61.300 -0.450 0.000 1.263 225 I CB 0.338 38.143 38.000 -0.325 0.000 1.439 225 I HN 0.879 nan 8.210 nan 0.000 0.637 226 L N 1.125 122.163 121.223 -0.307 0.000 3.755 226 L HA -0.183 4.157 4.340 -0.000 0.000 0.587 226 L C 0.470 177.405 176.870 0.108 0.000 1.235 226 L CA 0.426 55.195 54.840 -0.117 0.000 0.876 226 L CB -1.109 40.776 42.059 -0.289 0.000 1.431 226 L HN 0.739 nan 8.230 nan 0.000 0.840 227 R N 1.261 121.805 120.500 0.074 0.000 2.401 227 R HA 0.372 4.712 4.340 -0.000 0.000 0.299 227 R C 1.219 177.631 176.300 0.188 0.000 1.064 227 R CA 1.142 57.316 56.100 0.123 0.000 1.000 227 R CB 0.696 31.063 30.300 0.111 0.000 0.973 227 R HN 0.598 nan 8.270 nan 0.000 0.438 228 G N 3.494 112.368 108.800 0.122 0.000 2.284 228 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 228 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 228 G C -0.409 174.390 174.900 -0.168 0.000 0.998 228 G CA -0.432 44.645 45.100 -0.038 0.000 0.651 228 G HN 0.498 nan 8.290 nan 0.000 0.489 229 F N 1.627 121.565 119.950 -0.019 0.000 2.457 229 F HA 0.573 5.100 4.527 -0.000 0.000 0.330 229 F C 0.688 176.436 175.800 -0.086 0.000 1.069 229 F CA -1.106 56.870 58.000 -0.039 0.000 1.009 229 F CB 0.603 39.585 39.000 -0.030 0.000 1.276 229 F HN -0.029 nan 8.300 nan 0.000 0.492 230 D N 0.650 121.069 120.400 0.032 0.000 2.586 230 D HA -0.082 4.558 4.640 -0.000 0.000 0.234 230 D C 1.060 177.369 176.300 0.014 0.000 1.132 230 D CA 0.433 54.377 54.000 -0.093 0.000 0.860 230 D CB 1.007 41.696 40.800 -0.184 0.000 1.159 230 D HN 0.640 nan 8.370 nan 0.000 0.490 231 S N 3.240 118.950 115.700 0.017 0.000 2.402 231 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 231 S C 1.570 176.189 174.600 0.032 0.000 1.021 231 S CA 0.542 58.763 58.200 0.035 0.000 0.974 231 S CB 0.015 63.242 63.200 0.045 0.000 0.800 231 S HN 0.529 nan 8.310 nan 0.000 0.484 232 E N 1.332 121.555 120.200 0.038 0.000 2.106 232 E HA 0.017 4.367 4.350 -0.000 0.000 0.192 232 E C 1.681 178.291 176.600 0.016 0.000 0.984 232 E CA 0.702 57.126 56.400 0.039 0.000 0.806 232 E CB -0.483 29.256 29.700 0.065 0.000 0.750 232 E HN 0.407 nan 8.360 nan 0.000 0.458 233 L N 0.129 121.356 121.223 0.008 0.000 2.179 233 L HA 0.044 4.383 4.340 -0.000 0.000 0.208 233 L C 2.230 179.079 176.870 -0.034 0.000 1.096 233 L CA 1.260 56.090 54.840 -0.017 0.000 0.779 233 L CB -0.413 41.643 42.059 -0.006 0.000 0.922 233 L HN 0.025 nan 8.230 nan 0.000 0.443 234 R N -0.535 119.954 120.500 -0.018 0.000 2.096 234 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 234 R C 2.146 178.425 176.300 -0.035 0.000 1.127 234 R CA 1.296 57.373 56.100 -0.038 0.000 0.968 234 R CB -0.160 30.136 30.300 -0.008 0.000 0.861 234 R HN 0.340 nan 8.270 nan 0.000 0.440 235 K N -0.221 120.171 120.400 -0.014 0.000 2.031 235 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 235 K C 2.164 178.753 176.600 -0.019 0.000 1.049 235 K CA 0.998 57.279 56.287 -0.009 0.000 0.939 235 K CB -0.052 32.451 32.500 0.005 0.000 0.717 235 K HN -0.062 nan 8.250 nan 0.000 0.438 236 Q N 1.522 121.309 119.800 -0.021 0.000 2.030 236 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 236 Q C 1.937 177.914 176.000 -0.039 0.000 0.986 236 Q CA 1.460 57.247 55.803 -0.026 0.000 0.843 236 Q CB -0.534 28.183 28.738 -0.034 0.000 0.904 236 Q HN 0.226 nan 8.270 nan 0.000 0.420 237 L N 0.122 121.309 121.223 -0.061 0.000 2.081 237 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 237 L C 1.857 178.689 176.870 -0.063 0.000 1.080 237 L CA 2.269 57.064 54.840 -0.075 0.000 0.754 237 L CB -0.936 41.056 42.059 -0.112 0.000 0.893 237 L HN 0.369 nan 8.230 nan 0.000 0.433 238 T N -0.939 113.581 114.554 -0.057 0.000 2.821 238 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 238 T C 1.700 176.371 174.700 -0.048 0.000 1.046 238 T CA 1.188 63.258 62.100 -0.051 0.000 1.139 238 T CB 0.017 68.863 68.868 -0.037 0.000 0.871 238 T HN 0.199 nan 8.240 nan 0.000 0.454 239 E N 1.270 121.447 120.200 -0.039 0.000 2.152 239 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 239 E C 2.282 178.841 176.600 -0.068 0.000 0.983 239 E CA 1.056 57.430 56.400 -0.043 0.000 0.818 239 E CB -0.098 29.591 29.700 -0.019 0.000 0.758 239 E HN 0.547 nan 8.360 nan 0.000 0.467 240 Q N -0.614 119.165 119.800 -0.035 0.000 2.269 240 Q HA 0.085 4.425 4.340 -0.000 0.000 0.201 240 Q C 2.146 178.088 176.000 -0.096 0.000 0.946 240 Q CA 0.394 56.185 55.803 -0.020 0.000 0.877 240 Q CB 0.183 29.006 28.738 0.142 0.000 0.963 240 Q HN 0.259 nan 8.270 nan 0.000 0.472 241 L N 0.259 121.440 121.223 -0.070 0.000 2.056 241 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 241 L C 2.408 179.221 176.870 -0.096 0.000 1.078 241 L CA 1.257 56.056 54.840 -0.068 0.000 0.749 241 L CB -0.267 41.758 42.059 -0.057 0.000 0.901 241 L HN 0.211 nan 8.230 nan 0.000 0.433 242 R N -0.295 120.141 120.500 -0.107 0.000 2.092 242 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 242 R C 2.361 178.554 176.300 -0.177 0.000 1.119 242 R CA 1.159 57.193 56.100 -0.109 0.000 0.970 242 R CB -0.308 29.940 30.300 -0.086 0.000 0.864 242 R HN 0.308 nan 8.270 nan 0.000 0.440 243 A N 1.169 123.813 122.820 -0.293 0.000 2.019 243 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 243 A C 1.631 178.923 177.584 -0.487 0.000 1.164 243 A CA 1.345 53.065 52.037 -0.529 0.000 0.644 243 A CB -0.318 18.047 19.000 -1.058 0.000 0.805 243 A HN 0.184 nan 8.150 nan 0.000 0.449 244 N N -0.768 117.742 118.700 -0.316 0.000 2.362 244 N HA 0.213 4.953 4.740 -0.000 0.000 0.204 244 N C 0.915 176.378 175.510 -0.077 0.000 1.166 244 N CA 0.943 53.903 53.050 -0.150 0.000 0.831 244 N CB -0.007 38.455 38.487 -0.042 0.000 1.008 244 N HN 0.570 nan 8.380 nan 0.000 0.472 245 G N -0.062 108.683 108.800 -0.090 0.000 2.157 245 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.248 245 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.248 245 G C 0.051 174.939 174.900 -0.021 0.000 0.979 245 G CA -0.115 44.958 45.100 -0.044 0.000 0.650 245 G HN 0.321 nan 8.290 nan 0.000 0.529 246 I N 1.121 121.674 120.570 -0.028 0.000 2.371 246 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 246 I C 0.374 176.479 176.117 -0.019 0.000 1.028 246 I CA -0.810 60.485 61.300 -0.009 0.000 1.345 246 I CB 1.158 39.152 38.000 -0.009 0.000 1.407 246 I HN 0.092 nan 8.210 nan 0.000 0.501 247 N N 6.922 125.619 118.700 -0.004 0.000 2.482 247 N HA 0.138 4.878 4.740 -0.000 0.000 0.242 247 N C -0.912 174.586 175.510 -0.020 0.000 1.100 247 N CA -0.238 52.804 53.050 -0.013 0.000 0.946 247 N CB 0.619 39.107 38.487 0.001 0.000 1.227 247 N HN 0.257 nan 8.380 nan 0.000 0.508 248 V N 5.137 125.037 119.914 -0.025 0.000 2.427 248 V HA 0.265 4.385 4.120 -0.000 0.000 0.268 248 V C 0.716 176.800 176.094 -0.016 0.000 1.046 248 V CA -0.303 61.986 62.300 -0.018 0.000 0.970 248 V CB 0.227 32.038 31.823 -0.019 0.000 1.001 248 V HN 0.477 nan 8.190 nan 0.000 0.476 249 R N 3.239 123.728 120.500 -0.019 0.000 2.332 249 R HA 0.359 4.699 4.340 -0.000 0.000 0.306 249 R C 0.272 176.582 176.300 0.017 0.000 1.117 249 R CA -0.340 55.738 56.100 -0.037 0.000 1.108 249 R CB 1.113 31.335 30.300 -0.130 0.000 1.126 249 R HN 0.863 nan 8.270 nan 0.000 0.548 250 T N -1.491 113.101 114.554 0.062 0.000 2.913 250 T HA 0.171 4.521 4.350 -0.000 0.000 0.287 250 T C 0.332 175.085 174.700 0.089 0.000 1.008 250 T CA -0.492 61.659 62.100 0.085 0.000 1.067 250 T CB 0.785 69.727 68.868 0.124 0.000 0.996 250 T HN 0.845 nan 8.240 nan 0.000 0.513 251 H N -1.449 117.596 119.070 -0.042 0.000 2.969 251 H HA -0.085 4.471 4.556 -0.000 0.000 0.269 251 H C -0.223 175.070 175.328 -0.060 0.000 1.230 251 H CA 1.066 57.073 56.048 -0.069 0.000 1.123 251 H CB -1.254 28.483 29.762 -0.042 0.000 1.289 251 H HN 0.615 nan 8.280 nan 0.000 0.364 252 E N 0.334 120.526 120.200 -0.013 0.000 2.277 252 E HA 0.633 4.983 4.350 -0.000 0.000 0.266 252 E C -0.354 176.280 176.600 0.057 0.000 0.901 252 E CA -0.959 55.453 56.400 0.020 0.000 0.782 252 E CB 2.100 31.751 29.700 -0.083 0.000 1.228 252 E HN 0.279 nan 8.360 nan 0.000 0.424 253 N N 1.238 120.039 118.700 0.167 0.000 2.452 253 N HA 0.312 5.052 4.740 -0.000 0.000 0.277 253 N C -3.020 172.594 175.510 0.172 0.000 1.078 253 N CA -1.506 51.621 53.050 0.128 0.000 0.947 253 N CB 1.878 40.386 38.487 0.035 0.000 1.655 253 N HN -0.001 nan 8.380 nan 0.000 0.490 254 P HA 0.152 nan 4.420 nan 0.000 0.265 254 P C -0.492 176.781 177.300 -0.045 0.000 1.193 254 P CA 0.038 63.096 63.100 -0.070 0.000 0.765 254 P CB 0.935 32.581 31.700 -0.091 0.000 0.823 255 A N 3.721 126.492 122.820 -0.083 0.000 1.963 255 A HA 0.148 4.468 4.320 -0.000 0.000 0.207 255 A C 0.645 178.200 177.584 -0.049 0.000 1.243 255 A CA 0.967 52.980 52.037 -0.040 0.000 0.728 255 A CB -0.033 18.957 19.000 -0.017 0.000 0.895 255 A HN 0.505 nan 8.150 nan 0.000 0.467 256 K N 0.001 120.351 120.400 -0.084 0.000 2.581 256 K HA 0.535 4.855 4.320 -0.000 0.000 0.249 256 K C -2.093 174.456 176.600 -0.085 0.000 0.966 256 K CA -0.420 55.832 56.287 -0.058 0.000 0.811 256 K CB 2.150 34.632 32.500 -0.029 0.000 1.223 256 K HN -0.022 nan 8.250 nan 0.000 0.438 257 V N 3.521 123.400 119.914 -0.058 0.000 2.398 257 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 257 V C -0.049 176.039 176.094 -0.010 0.000 1.026 257 V CA -0.387 61.879 62.300 -0.056 0.000 0.868 257 V CB 1.376 33.170 31.823 -0.049 0.000 0.982 257 V HN 0.975 nan 8.190 nan 0.000 0.443 258 T N 1.535 116.100 114.554 0.018 0.000 2.906 258 T HA 0.589 4.939 4.350 -0.000 0.000 0.295 258 T C -0.764 173.966 174.700 0.049 0.000 1.075 258 T CA -0.951 61.173 62.100 0.041 0.000 1.005 258 T CB 2.059 70.962 68.868 0.057 0.000 1.136 258 T HN 0.562 nan 8.240 nan 0.000 0.498 259 K N 1.648 122.067 120.400 0.031 0.000 2.201 259 K HA 0.354 4.674 4.320 -0.000 0.000 0.278 259 K C -0.381 176.230 176.600 0.018 0.000 1.027 259 K CA -0.666 55.636 56.287 0.025 0.000 0.909 259 K CB 0.513 33.022 32.500 0.016 0.000 1.062 259 K HN 0.541 nan 8.250 nan 0.000 0.465 260 N N 1.731 120.443 118.700 0.019 0.000 2.463 260 N HA 0.132 4.872 4.740 -0.000 0.000 0.270 260 N C 0.745 176.251 175.510 -0.007 0.000 1.205 260 N CA 0.123 53.172 53.050 -0.002 0.000 0.974 260 N CB 1.420 39.908 38.487 0.001 0.000 1.197 260 N HN 0.726 nan 8.380 nan 0.000 0.504 261 A N 0.789 123.600 122.820 -0.016 0.000 1.908 261 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 261 A C 1.043 178.622 177.584 -0.008 0.000 1.181 261 A CA 2.025 54.055 52.037 -0.012 0.000 0.627 261 A CB -0.608 18.382 19.000 -0.017 0.000 0.818 261 A HN 0.792 nan 8.150 nan 0.000 0.445 262 D N -1.797 118.598 120.400 -0.009 0.000 2.371 262 D HA 0.272 4.912 4.640 -0.000 0.000 0.234 262 D C 1.191 177.489 176.300 -0.004 0.000 1.049 262 D CA 1.018 55.014 54.000 -0.007 0.000 0.907 262 D CB -0.742 40.052 40.800 -0.010 0.000 0.891 262 D HN 0.817 nan 8.370 nan 0.000 0.531 263 G N -0.067 108.732 108.800 -0.001 0.000 2.253 263 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.251 263 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.251 263 G C 0.631 175.533 174.900 0.003 0.000 0.998 263 G CA 0.560 45.662 45.100 0.002 0.000 0.621 263 G HN 0.822 nan 8.290 nan 0.000 0.524 264 T N -0.016 114.540 114.554 0.002 0.000 2.860 264 T HA 0.601 4.951 4.350 -0.000 0.000 0.299 264 T C 0.472 175.188 174.700 0.026 0.000 1.045 264 T CA -0.169 61.935 62.100 0.007 0.000 1.071 264 T CB 1.161 70.028 68.868 -0.001 0.000 0.985 264 T HN 0.495 nan 8.240 nan 0.000 0.537 265 R N 1.246 121.772 120.500 0.043 0.000 2.428 265 R HA 0.336 4.676 4.340 -0.000 0.000 0.294 265 R C -0.632 175.715 176.300 0.078 0.000 1.000 265 R CA -0.705 55.430 56.100 0.059 0.000 0.960 265 R CB 0.586 30.918 30.300 0.053 0.000 1.076 265 R HN 0.889 nan 8.270 nan 0.000 0.475 266 H N 1.001 120.055 119.070 -0.027 0.000 2.488 266 H HA 0.402 4.958 4.556 -0.000 0.000 0.322 266 H C -1.002 174.283 175.328 -0.071 0.000 1.078 266 H CA -0.519 55.497 56.048 -0.054 0.000 1.260 266 H CB 1.101 30.831 29.762 -0.054 0.000 1.425 266 H HN 0.233 nan 8.280 nan 0.000 0.471 267 V N 6.089 125.674 119.914 -0.549 0.000 2.581 267 V HA 0.330 4.450 4.120 -0.000 0.000 0.303 267 V C -0.628 175.025 176.094 -0.735 0.000 1.041 267 V CA -0.867 61.106 62.300 -0.545 0.000 0.907 267 V CB 1.921 33.418 31.823 -0.543 0.000 0.994 267 V HN 0.641 nan 8.190 nan 0.000 0.442 268 V N 4.798 124.398 119.914 -0.523 0.000 2.326 268 V HA 0.462 4.582 4.120 -0.000 0.000 0.281 268 V C -0.409 175.479 176.094 -0.344 0.000 1.015 268 V CA -0.572 61.522 62.300 -0.344 0.000 0.823 268 V CB 0.778 32.536 31.823 -0.108 0.000 1.009 268 V HN 0.628 nan 8.190 nan 0.000 0.436 269 F N 1.450 121.391 119.950 -0.015 0.000 2.410 269 F HA 0.281 4.808 4.527 -0.000 0.000 0.334 269 F C 1.742 177.544 175.800 0.002 0.000 1.134 269 F CA -0.307 57.692 58.000 -0.001 0.000 1.227 269 F CB 0.477 39.483 39.000 0.009 0.000 1.194 269 F HN 0.504 nan 8.300 nan 0.000 0.571 270 E N 0.437 120.737 120.200 0.166 0.000 2.171 270 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 270 E C 2.109 178.767 176.600 0.097 0.000 0.997 270 E CA 1.639 58.096 56.400 0.096 0.000 0.810 270 E CB -0.093 29.651 29.700 0.074 0.000 0.738 270 E HN 0.701 nan 8.360 nan 0.000 0.467 271 S N -1.074 114.704 115.700 0.129 0.000 2.469 271 S HA -0.036 4.433 4.470 -0.000 0.000 0.238 271 S C 1.692 176.343 174.600 0.085 0.000 0.998 271 S CA 0.762 59.015 58.200 0.089 0.000 0.957 271 S CB 0.153 63.397 63.200 0.074 0.000 0.764 271 S HN 0.428 nan 8.310 nan 0.000 0.514 272 G N 0.272 109.140 108.800 0.113 0.000 2.179 272 G HA2 0.003 3.962 3.960 -0.000 0.000 0.220 272 G HA3 0.003 3.962 3.960 -0.000 0.000 0.220 272 G C 0.150 175.120 174.900 0.118 0.000 0.990 272 G CA -0.099 45.056 45.100 0.091 0.000 0.646 272 G HN 1.236 nan 8.290 nan 0.000 0.517 273 A N 0.100 123.030 122.820 0.183 0.000 2.302 273 A HA 0.780 5.100 4.320 -0.000 0.000 0.285 273 A C 0.304 178.088 177.584 0.333 0.000 1.105 273 A CA 0.221 52.389 52.037 0.218 0.000 0.816 273 A CB 0.601 19.703 19.000 0.169 0.000 1.067 273 A HN 0.596 nan 8.150 nan 0.000 0.489 274 E N -0.253 120.076 120.200 0.214 0.000 2.410 274 E HA 0.786 5.136 4.350 -0.000 0.000 0.269 274 E C -0.757 175.878 176.600 0.059 0.000 0.937 274 E CA -1.032 55.375 56.400 0.012 0.000 0.793 274 E CB 2.195 31.866 29.700 -0.048 0.000 1.314 274 E HN 1.132 nan 8.360 nan 0.000 0.447 275 A N 0.992 123.690 122.820 -0.204 0.000 2.549 275 A HA 0.401 4.721 4.320 -0.000 0.000 0.291 275 A C -1.966 175.370 177.584 -0.412 0.000 1.034 275 A CA -0.912 51.025 52.037 -0.167 0.000 0.655 275 A CB 1.353 20.357 19.000 0.007 0.000 1.299 275 A HN 0.564 nan 8.150 nan 0.000 0.427 276 D N -0.123 120.015 120.400 -0.438 0.000 2.252 276 D HA 0.698 5.338 4.640 -0.000 0.000 0.245 276 D C -1.522 174.361 176.300 -0.695 0.000 1.009 276 D CA 0.527 54.303 54.000 -0.373 0.000 0.870 276 D CB 1.539 42.282 40.800 -0.095 0.000 1.251 276 D HN 0.391 nan 8.370 nan 0.000 0.460 277 Y N -0.136 120.155 120.300 -0.016 0.000 2.544 277 Y HA 0.112 4.662 4.550 -0.000 0.000 0.342 277 Y C 0.553 176.416 175.900 -0.061 0.000 1.062 277 Y CA -0.824 57.253 58.100 -0.039 0.000 1.023 277 Y CB 1.587 40.021 38.460 -0.044 0.000 1.308 277 Y HN 0.130 nan 8.280 nan 0.000 0.457 278 D N 0.559 121.000 120.400 0.068 0.000 2.149 278 D HA 0.037 4.677 4.640 -0.000 0.000 0.201 278 D C -0.355 175.912 176.300 -0.055 0.000 0.972 278 D CA 1.525 55.511 54.000 -0.023 0.000 0.835 278 D CB 0.402 41.152 40.800 -0.082 0.000 0.966 278 D HN 0.135 nan 8.370 nan 0.000 0.476 279 V N -0.003 119.865 119.914 -0.077 0.000 2.760 279 V HA 0.398 4.517 4.120 -0.000 0.000 0.309 279 V C -1.157 174.851 176.094 -0.143 0.000 1.077 279 V CA -0.931 61.276 62.300 -0.156 0.000 0.910 279 V CB 2.865 34.481 31.823 -0.345 0.000 1.008 279 V HN -0.215 nan 8.190 nan 0.000 0.424 280 V N 6.679 126.518 119.914 -0.126 0.000 2.419 280 V HA 0.550 4.670 4.120 -0.000 0.000 0.287 280 V C -0.378 175.639 176.094 -0.128 0.000 1.017 280 V CA -0.299 61.910 62.300 -0.152 0.000 0.844 280 V CB 1.366 33.119 31.823 -0.116 0.000 1.011 280 V HN 0.902 nan 8.190 nan 0.000 0.429 281 M N 6.959 126.483 119.600 -0.125 0.000 2.157 281 M HA 0.520 5.000 4.480 -0.000 0.000 0.354 281 M C -1.281 174.933 176.300 -0.143 0.000 1.170 281 M CA -0.545 54.680 55.300 -0.125 0.000 1.060 281 M CB 1.239 33.801 32.600 -0.062 0.000 1.615 281 M HN 0.557 nan 8.290 nan 0.000 0.460 282 L N 5.061 126.171 121.223 -0.189 0.000 2.259 282 L HA 0.436 4.776 4.340 -0.000 0.000 0.288 282 L C 0.229 176.962 176.870 -0.229 0.000 1.051 282 L CA -0.401 54.321 54.840 -0.196 0.000 0.824 282 L CB 1.032 42.952 42.059 -0.231 0.000 1.206 282 L HN 0.835 nan 8.230 nan 0.000 0.429 283 A N 3.816 126.537 122.820 -0.164 0.000 2.985 283 A HA 0.323 4.643 4.320 -0.000 0.000 0.303 283 A C 1.230 178.756 177.584 -0.097 0.000 1.048 283 A CA -0.330 51.610 52.037 -0.162 0.000 1.016 283 A CB -0.072 18.834 19.000 -0.157 0.000 1.118 283 A HN 0.600 nan 8.150 nan 0.000 0.529 284 I N 0.171 120.692 120.570 -0.081 0.000 2.252 284 I HA 0.061 4.231 4.170 -0.000 0.000 0.245 284 I C 1.340 177.456 176.117 -0.002 0.000 1.102 284 I CA 1.857 63.146 61.300 -0.018 0.000 1.385 284 I CB -1.440 36.548 38.000 -0.021 0.000 1.064 284 I HN 0.490 nan 8.210 nan 0.000 0.414 285 G N 0.490 109.272 108.800 -0.030 0.000 2.316 285 G HA2 0.385 4.345 3.960 -0.000 0.000 0.296 285 G HA3 0.385 4.345 3.960 -0.000 0.000 0.296 285 G C -1.067 173.830 174.900 -0.005 0.000 1.399 285 G CA -0.981 44.120 45.100 0.001 0.000 0.833 285 G HN 0.037 nan 8.290 nan 0.000 0.565 286 R N -0.209 120.309 120.500 0.030 0.000 2.480 286 R HA 0.616 4.956 4.340 -0.000 0.000 0.306 286 R C -0.081 176.276 176.300 0.096 0.000 0.958 286 R CA -0.821 55.311 56.100 0.053 0.000 0.861 286 R CB 2.286 32.619 30.300 0.055 0.000 1.171 286 R HN 0.783 nan 8.270 nan 0.000 0.445 287 V N 0.664 120.658 119.914 0.133 0.000 2.539 287 V HA 0.518 4.638 4.120 -0.000 0.000 0.292 287 V C -2.437 173.746 176.094 0.149 0.000 1.045 287 V CA -3.005 59.374 62.300 0.133 0.000 0.945 287 V CB 1.334 33.241 31.823 0.140 0.000 0.993 287 V HN 0.544 nan 8.190 nan 0.000 0.464 288 P HA 0.111 nan 4.420 nan 0.000 0.261 288 P C -0.665 176.696 177.300 0.102 0.000 1.173 288 P CA 0.305 63.463 63.100 0.097 0.000 0.760 288 P CB 0.205 31.944 31.700 0.065 0.000 0.783 289 R N 2.640 123.200 120.500 0.101 0.000 2.369 289 R HA 0.260 4.600 4.340 -0.000 0.000 0.310 289 R C 0.528 176.844 176.300 0.027 0.000 1.141 289 R CA 0.073 56.215 56.100 0.069 0.000 1.116 289 R CB -0.107 30.241 30.300 0.080 0.000 1.135 289 R HN 0.552 nan 8.270 nan 0.000 0.529 290 S N 1.398 117.110 115.700 0.020 0.000 2.727 290 S HA -0.049 4.421 4.470 -0.000 0.000 0.249 290 S C 1.211 175.810 174.600 -0.001 0.000 1.079 290 S CA -0.465 57.739 58.200 0.008 0.000 0.912 290 S CB 0.217 63.425 63.200 0.013 0.000 0.861 290 S HN 0.437 nan 8.310 nan 0.000 0.484 291 Q N 2.727 122.527 119.800 0.000 0.000 2.188 291 Q HA -0.184 4.156 4.340 -0.000 0.000 0.217 291 Q C 1.907 177.899 176.000 -0.014 0.000 1.018 291 Q CA 2.725 58.525 55.803 -0.006 0.000 0.910 291 Q CB -1.479 27.254 28.738 -0.007 0.000 0.979 291 Q HN 0.879 nan 8.270 nan 0.000 0.413 292 T N -3.021 111.523 114.554 -0.018 0.000 3.206 292 T HA 0.316 4.666 4.350 -0.000 0.000 0.253 292 T C 1.166 175.863 174.700 -0.004 0.000 1.042 292 T CA -0.175 61.915 62.100 -0.017 0.000 0.931 292 T CB -0.095 68.761 68.868 -0.020 0.000 1.029 292 T HN 0.130 nan 8.240 nan 0.000 0.564 293 L N 0.024 121.244 121.223 -0.005 0.000 2.341 293 L HA 0.205 4.545 4.340 -0.000 0.000 0.214 293 L C 0.978 177.843 176.870 -0.008 0.000 1.115 293 L CA 0.215 55.052 54.840 -0.005 0.000 0.820 293 L CB -0.545 41.510 42.059 -0.007 0.000 0.944 293 L HN 0.365 nan 8.230 nan 0.000 0.452 294 Q N -0.645 119.149 119.800 -0.010 0.000 2.464 294 Q HA -0.225 4.115 4.340 -0.000 0.000 0.304 294 Q C 0.853 176.848 176.000 -0.009 0.000 1.401 294 Q CA -0.159 55.638 55.803 -0.010 0.000 0.806 294 Q CB -1.222 27.509 28.738 -0.012 0.000 1.134 294 Q HN 0.213 nan 8.270 nan 0.000 0.411 295 L N 1.164 122.383 121.223 -0.008 0.000 2.187 295 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 295 L C 2.684 179.550 176.870 -0.008 0.000 1.100 295 L CA 2.497 57.332 54.840 -0.008 0.000 0.765 295 L CB -0.779 41.276 42.059 -0.006 0.000 0.904 295 L HN 0.563 nan 8.230 nan 0.000 0.437 296 E N -0.148 120.048 120.200 -0.006 0.000 2.097 296 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 296 E C 1.773 178.370 176.600 -0.005 0.000 1.000 296 E CA 1.408 57.805 56.400 -0.005 0.000 0.804 296 E CB -0.526 29.170 29.700 -0.005 0.000 0.740 296 E HN 0.464 nan 8.360 nan 0.000 0.454 297 K N 0.397 120.793 120.400 -0.006 0.000 2.360 297 K HA 0.006 4.326 4.320 -0.000 0.000 0.201 297 K C 1.911 178.509 176.600 -0.004 0.000 1.046 297 K CA 1.008 57.292 56.287 -0.004 0.000 0.945 297 K CB 0.019 32.517 32.500 -0.004 0.000 0.750 297 K HN 0.250 nan 8.250 nan 0.000 0.464 298 A N -0.186 122.629 122.820 -0.008 0.000 2.252 298 A HA 0.284 4.604 4.320 -0.000 0.000 0.213 298 A C 1.504 179.081 177.584 -0.012 0.000 1.188 298 A CA 0.825 52.854 52.037 -0.014 0.000 0.863 298 A CB 0.216 19.203 19.000 -0.022 0.000 0.893 298 A HN 0.349 nan 8.150 nan 0.000 0.495 299 G N -1.213 107.582 108.800 -0.008 0.000 2.258 299 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 299 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 299 G C 0.360 175.256 174.900 -0.008 0.000 1.006 299 G CA 0.026 45.122 45.100 -0.006 0.000 0.620 299 G HN 0.835 nan 8.290 nan 0.000 0.511 300 V N 2.327 122.235 119.914 -0.011 0.000 2.584 300 V HA 0.157 4.277 4.120 -0.000 0.000 0.303 300 V C 0.994 177.082 176.094 -0.010 0.000 1.035 300 V CA 0.729 63.022 62.300 -0.012 0.000 1.172 300 V CB 0.839 32.655 31.823 -0.012 0.000 0.896 300 V HN 0.458 nan 8.190 nan 0.000 0.486 301 E N 3.183 123.376 120.200 -0.011 0.000 2.354 301 E HA 0.473 4.823 4.350 -0.000 0.000 0.269 301 E C -0.731 175.864 176.600 -0.007 0.000 1.036 301 E CA -0.352 56.043 56.400 -0.009 0.000 0.876 301 E CB 1.817 31.512 29.700 -0.010 0.000 1.009 301 E HN 0.466 nan 8.360 nan 0.000 0.416 302 V N 1.668 121.580 119.914 -0.003 0.000 2.962 302 V HA 0.507 4.627 4.120 -0.000 0.000 0.313 302 V C 0.045 176.140 176.094 0.002 0.000 1.099 302 V CA -0.622 61.678 62.300 0.000 0.000 0.971 302 V CB 1.910 33.735 31.823 0.003 0.000 1.028 302 V HN 0.866 nan 8.190 nan 0.000 0.430 303 A N 2.359 125.182 122.820 0.005 0.000 2.275 303 A HA 0.414 4.734 4.320 -0.000 0.000 0.282 303 A C 1.263 178.853 177.584 0.010 0.000 1.275 303 A CA 0.099 52.140 52.037 0.006 0.000 0.842 303 A CB 0.186 19.190 19.000 0.006 0.000 1.280 303 A HN 0.870 nan 8.150 nan 0.000 0.508 304 K N -0.292 120.115 120.400 0.011 0.000 2.217 304 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 304 K C 0.890 177.502 176.600 0.020 0.000 1.051 304 K CA 1.590 57.885 56.287 0.014 0.000 0.952 304 K CB -0.194 32.314 32.500 0.013 0.000 0.736 304 K HN 0.778 nan 8.250 nan 0.000 0.453 305 N N -0.537 118.176 118.700 0.023 0.000 2.383 305 N HA 0.023 4.762 4.740 -0.000 0.000 0.192 305 N C 0.809 176.341 175.510 0.037 0.000 1.141 305 N CA 0.902 53.972 53.050 0.033 0.000 0.851 305 N CB 0.518 39.026 38.487 0.035 0.000 0.976 305 N HN 0.285 nan 8.380 nan 0.000 0.465 306 G N -1.621 107.196 108.800 0.029 0.000 2.175 306 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.244 306 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.244 306 G C 0.164 175.081 174.900 0.028 0.000 0.982 306 G CA -0.005 45.113 45.100 0.030 0.000 0.641 306 G HN 0.803 nan 8.290 nan 0.000 0.527 307 A N 0.655 123.490 122.820 0.025 0.000 2.454 307 A HA 0.651 4.971 4.320 -0.000 0.000 0.260 307 A C 0.755 178.345 177.584 0.010 0.000 1.106 307 A CA -0.141 51.908 52.037 0.020 0.000 0.780 307 A CB 0.097 19.106 19.000 0.016 0.000 1.044 307 A HN 0.760 nan 8.150 nan 0.000 0.498 308 I N 2.698 123.273 120.570 0.008 0.000 2.598 308 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 308 I C 0.535 176.647 176.117 -0.008 0.000 1.140 308 I CA 0.379 61.679 61.300 -0.001 0.000 1.420 308 I CB 0.543 38.543 38.000 -0.001 0.000 1.387 308 I HN 0.607 nan 8.210 nan 0.000 0.553 309 K N 6.365 126.757 120.400 -0.013 0.000 2.297 309 K HA 0.452 4.772 4.320 -0.000 0.000 0.286 309 K C -0.575 176.007 176.600 -0.030 0.000 1.053 309 K CA -0.362 55.914 56.287 -0.019 0.000 0.940 309 K CB 1.167 33.658 32.500 -0.016 0.000 1.019 309 K HN 0.500 nan 8.250 nan 0.000 0.475 310 V N -1.003 118.892 119.914 -0.032 0.000 3.130 310 V HA 0.417 4.537 4.120 -0.000 0.000 0.310 310 V C -0.566 175.513 176.094 -0.025 0.000 1.158 310 V CA -1.172 61.102 62.300 -0.044 0.000 1.029 310 V CB 1.873 33.672 31.823 -0.040 0.000 1.057 310 V HN 0.822 nan 8.190 nan 0.000 0.436 311 D N 2.013 122.406 120.400 -0.012 0.000 2.511 311 D HA 0.564 5.204 4.640 -0.000 0.000 0.283 311 D C 1.427 177.752 176.300 0.041 0.000 1.198 311 D CA 0.123 54.141 54.000 0.030 0.000 1.097 311 D CB 0.653 41.496 40.800 0.073 0.000 1.160 311 D HN 0.829 nan 8.370 nan 0.000 0.589 312 A N -1.245 121.613 122.820 0.062 0.000 1.986 312 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 312 A C 1.492 178.916 177.584 -0.268 0.000 1.171 312 A CA 1.308 53.284 52.037 -0.100 0.000 0.640 312 A CB -1.147 17.746 19.000 -0.179 0.000 0.811 312 A HN 0.556 nan 8.150 nan 0.000 0.451 313 Y N 0.019 120.360 120.300 0.068 0.000 2.532 313 Y HA 0.269 4.819 4.550 -0.000 0.000 0.283 313 Y C 1.125 177.109 175.900 0.140 0.000 1.181 313 Y CA -0.095 58.084 58.100 0.131 0.000 1.256 313 Y CB -0.479 38.068 38.460 0.143 0.000 1.112 313 Y HN 0.300 nan 8.280 nan 0.000 0.521 314 S N -0.317 115.453 115.700 0.117 0.000 3.587 314 S HA -0.280 4.190 4.470 -0.000 0.000 0.337 314 S C 0.203 174.701 174.600 -0.169 0.000 1.119 314 S CA 0.790 59.027 58.200 0.061 0.000 0.976 314 S CB -1.398 61.915 63.200 0.189 0.000 0.922 314 S HN 0.591 nan 8.310 nan 0.000 0.503 315 K N 2.144 122.321 120.400 -0.371 0.000 2.183 315 K HA 0.416 4.736 4.320 -0.000 0.000 0.274 315 K C 0.960 177.365 176.600 -0.326 0.000 1.009 315 K CA -0.040 55.776 56.287 -0.785 0.000 0.888 315 K CB 0.821 32.895 32.500 -0.710 0.000 1.078 315 K HN 0.397 nan 8.250 nan 0.000 0.459 316 T N 0.194 114.594 114.554 -0.255 0.000 2.793 316 T HA 0.025 4.375 4.350 -0.000 0.000 0.299 316 T C 1.303 175.949 174.700 -0.090 0.000 1.038 316 T CA -0.377 61.655 62.100 -0.114 0.000 0.948 316 T CB 0.319 69.150 68.868 -0.063 0.000 1.231 316 T HN 0.711 nan 8.240 nan 0.000 0.538 317 N N -0.372 118.298 118.700 -0.050 0.000 2.443 317 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 317 N C 0.223 175.718 175.510 -0.024 0.000 1.037 317 N CA 0.374 53.404 53.050 -0.033 0.000 0.896 317 N CB -0.785 37.690 38.487 -0.020 0.000 0.959 317 N HN 0.422 nan 8.380 nan 0.000 0.442 318 V N 2.207 122.107 119.914 -0.023 0.000 2.304 318 V HA 0.092 4.212 4.120 -0.000 0.000 0.269 318 V C 0.298 176.403 176.094 0.019 0.000 1.036 318 V CA -0.640 61.657 62.300 -0.004 0.000 0.840 318 V CB 0.874 32.692 31.823 -0.010 0.000 1.036 318 V HN -0.113 nan 8.190 nan 0.000 0.466 319 D N 3.487 123.908 120.400 0.035 0.000 2.664 319 D HA -0.259 4.381 4.640 -0.000 0.000 0.195 319 D C 1.659 178.093 176.300 0.223 0.000 1.063 319 D CA 2.378 56.433 54.000 0.092 0.000 0.935 319 D CB -0.030 40.817 40.800 0.078 0.000 0.877 319 D HN 0.813 nan 8.370 nan 0.000 0.464 320 N N -0.365 118.450 118.700 0.192 0.000 2.184 320 N HA -0.001 4.739 4.740 -0.000 0.000 0.206 320 N C -0.034 175.708 175.510 0.388 0.000 1.151 320 N CA -0.069 53.162 53.050 0.302 0.000 0.878 320 N CB 0.473 38.947 38.487 -0.021 0.000 1.014 320 N HN 0.150 nan 8.380 nan 0.000 0.512 321 I N 1.891 122.623 120.570 0.269 0.000 2.328 321 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 321 I C -0.851 175.402 176.117 0.227 0.000 1.012 321 I CA -0.717 60.713 61.300 0.217 0.000 1.195 321 I CB 0.506 38.540 38.000 0.057 0.000 1.350 321 I HN -0.142 nan 8.210 nan 0.000 0.464 322 Y N 4.409 124.742 120.300 0.054 0.000 2.496 322 Y HA 0.761 5.311 4.550 -0.000 0.000 0.331 322 Y C 0.261 176.117 175.900 -0.074 0.000 1.140 322 Y CA -1.148 56.957 58.100 0.007 0.000 1.166 322 Y CB 2.038 40.490 38.460 -0.013 0.000 1.249 322 Y HN 0.522 nan 8.280 nan 0.000 0.479 323 A N 3.377 126.231 122.820 0.058 0.000 2.402 323 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 323 A C -1.109 176.490 177.584 0.026 0.000 1.051 323 A CA -0.546 51.499 52.037 0.012 0.000 0.716 323 A CB 0.557 19.558 19.000 0.002 0.000 1.223 323 A HN 0.716 nan 8.150 nan 0.000 0.425 324 I N -0.417 120.159 120.570 0.010 0.000 3.239 324 I HA 0.974 5.144 4.170 -0.000 0.000 0.314 324 I C 0.456 176.600 176.117 0.045 0.000 1.126 324 I CA -0.331 60.994 61.300 0.041 0.000 0.973 324 I CB 2.043 40.073 38.000 0.050 0.000 1.252 324 I HN 1.851 nan 8.210 nan 0.000 0.463 325 G N 2.633 111.475 108.800 0.069 0.000 2.632 325 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.224 325 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.224 325 G C -0.133 174.810 174.900 0.072 0.000 1.341 325 G CA 0.423 45.567 45.100 0.073 0.000 0.880 325 G HN 0.816 nan 8.290 nan 0.000 0.566 326 D N -0.657 119.791 120.400 0.080 0.000 2.221 326 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 326 D C 2.519 178.861 176.300 0.070 0.000 0.982 326 D CA 1.308 55.358 54.000 0.083 0.000 0.857 326 D CB -0.259 40.604 40.800 0.105 0.000 0.934 326 D HN 0.540 nan 8.370 nan 0.000 0.475 327 V N 1.215 121.167 119.914 0.063 0.000 2.380 327 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 327 V C 2.279 178.394 176.094 0.035 0.000 1.063 327 V CA 2.612 64.942 62.300 0.050 0.000 1.055 327 V CB -0.679 31.167 31.823 0.039 0.000 0.657 327 V HN 0.420 nan 8.190 nan 0.000 0.455 328 T N -3.524 111.046 114.554 0.028 0.000 3.118 328 T HA -0.041 4.309 4.350 -0.000 0.000 0.260 328 T C 1.048 175.746 174.700 -0.003 0.000 1.139 328 T CA 0.756 62.861 62.100 0.008 0.000 1.085 328 T CB -0.437 68.434 68.868 0.005 0.000 0.934 328 T HN 0.545 nan 8.240 nan 0.000 0.518 329 D N 1.039 121.447 120.400 0.014 0.000 2.708 329 D HA -0.177 4.463 4.640 -0.000 0.000 0.236 329 D C 0.908 177.193 176.300 -0.024 0.000 1.146 329 D CA 0.637 54.644 54.000 0.012 0.000 0.662 329 D CB -0.802 40.008 40.800 0.017 0.000 1.059 329 D HN 0.634 nan 8.370 nan 0.000 0.428 330 R N -1.104 119.364 120.500 -0.054 0.000 1.950 330 R HA 0.371 4.711 4.340 -0.000 0.000 0.200 330 R C 0.425 176.688 176.300 -0.062 0.000 1.476 330 R CA 0.318 56.327 56.100 -0.151 0.000 1.145 330 R CB 0.349 30.416 30.300 -0.388 0.000 0.942 330 R HN 0.046 nan 8.270 nan 0.000 0.484 331 V N 2.491 122.415 119.914 0.016 0.000 2.409 331 V HA 0.266 4.386 4.120 -0.000 0.000 0.290 331 V C -0.350 175.804 176.094 0.100 0.000 1.017 331 V CA -0.319 62.033 62.300 0.087 0.000 0.841 331 V CB 1.634 33.558 31.823 0.168 0.000 1.003 331 V HN 0.327 nan 8.190 nan 0.000 0.426 332 M N 6.743 126.399 119.600 0.093 0.000 3.213 332 M HA 0.434 4.914 4.480 -0.000 0.000 0.275 332 M C -0.874 175.500 176.300 0.123 0.000 1.424 332 M CA 0.525 55.893 55.300 0.112 0.000 1.561 332 M CB -0.283 32.394 32.600 0.128 0.000 1.109 332 M HN 0.430 nan 8.290 nan 0.000 0.552 333 L N -0.639 120.646 121.223 0.103 0.000 2.359 333 L HA 0.444 4.784 4.340 -0.000 0.000 0.256 333 L C 1.064 177.986 176.870 0.086 0.000 1.026 333 L CA -0.547 54.346 54.840 0.089 0.000 0.828 333 L CB 2.401 44.493 42.059 0.056 0.000 1.406 333 L HN 0.251 nan 8.230 nan 0.000 0.413 334 T N 0.798 115.400 114.554 0.081 0.000 2.668 334 T HA -0.052 4.298 4.350 -0.000 0.000 0.262 334 T C -1.169 173.565 174.700 0.056 0.000 1.045 334 T CA 1.667 63.809 62.100 0.070 0.000 1.152 334 T CB -0.520 68.388 68.868 0.066 0.000 0.864 334 T HN 0.455 nan 8.240 nan 0.000 0.419 335 P HA -0.095 nan 4.420 nan 0.000 0.216 335 P C 1.657 178.972 177.300 0.026 0.000 1.157 335 P CA 0.745 63.863 63.100 0.029 0.000 0.880 335 P CB -0.239 31.472 31.700 0.019 0.000 0.791 336 V N 0.185 120.118 119.914 0.032 0.000 2.231 336 V HA -0.348 3.772 4.120 -0.000 0.000 0.250 336 V C 2.461 178.590 176.094 0.058 0.000 1.058 336 V CA 2.599 64.919 62.300 0.034 0.000 1.022 336 V CB -1.745 30.130 31.823 0.086 0.000 0.640 336 V HN 0.133 nan 8.190 nan 0.000 0.445 337 A N -0.703 122.164 122.820 0.078 0.000 1.948 337 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 337 A C 2.168 179.796 177.584 0.073 0.000 1.177 337 A CA 2.226 54.312 52.037 0.082 0.000 0.636 337 A CB -0.630 18.417 19.000 0.078 0.000 0.815 337 A HN 0.557 nan 8.150 nan 0.000 0.449 338 I N -0.795 119.811 120.570 0.061 0.000 2.394 338 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 338 I C 2.363 178.519 176.117 0.065 0.000 1.136 338 I CA 1.489 62.825 61.300 0.061 0.000 1.425 338 I CB -0.320 37.708 38.000 0.047 0.000 1.079 338 I HN 0.436 nan 8.210 nan 0.000 0.425 339 N N 0.966 119.693 118.700 0.044 0.000 2.109 339 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 339 N C 1.722 177.267 175.510 0.057 0.000 1.034 339 N CA 1.306 54.374 53.050 0.030 0.000 0.846 339 N CB 0.036 38.510 38.487 -0.022 0.000 1.010 339 N HN 0.212 nan 8.380 nan 0.000 0.425 340 E N -0.785 119.455 120.200 0.066 0.000 2.171 340 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 340 E C 1.869 178.566 176.600 0.161 0.000 0.997 340 E CA 1.081 57.549 56.400 0.113 0.000 0.810 340 E CB -0.296 29.485 29.700 0.134 0.000 0.738 340 E HN 0.525 nan 8.360 nan 0.000 0.467 341 G N 1.082 109.967 108.800 0.141 0.000 2.404 341 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 341 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 341 G C 1.691 176.737 174.900 0.244 0.000 1.174 341 G CA 0.734 45.942 45.100 0.181 0.000 0.780 341 G HN 0.347 nan 8.290 nan 0.000 0.537 342 A N 1.014 123.939 122.820 0.176 0.000 1.930 342 A HA 0.352 4.672 4.320 -0.000 0.000 0.217 342 A C 2.752 180.425 177.584 0.149 0.000 1.175 342 A CA 2.066 54.202 52.037 0.165 0.000 0.627 342 A CB -0.609 18.463 19.000 0.119 0.000 0.815 342 A HN 0.682 nan 8.150 nan 0.000 0.443 343 A N -0.709 122.194 122.820 0.138 0.000 1.873 343 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 343 A C 2.026 179.687 177.584 0.127 0.000 1.186 343 A CA 1.453 53.559 52.037 0.114 0.000 0.616 343 A CB -0.810 18.246 19.000 0.094 0.000 0.823 343 A HN 0.866 nan 8.150 nan 0.000 0.442 344 F N 1.039 121.021 119.950 0.053 0.000 2.120 344 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 344 F C 1.945 177.654 175.800 -0.152 0.000 1.095 344 F CA 2.158 60.140 58.000 -0.029 0.000 1.249 344 F CB -0.427 38.567 39.000 -0.009 0.000 0.995 344 F HN 0.019 nan 8.300 nan 0.000 0.480 345 V N 0.678 120.429 119.914 -0.272 0.000 2.358 345 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 345 V C 2.113 178.041 176.094 -0.276 0.000 1.047 345 V CA 2.163 64.286 62.300 -0.296 0.000 1.035 345 V CB -0.794 31.110 31.823 0.134 0.000 0.658 345 V HN 0.291 nan 8.190 nan 0.000 0.452 346 D N -0.081 120.246 120.400 -0.122 0.000 2.123 346 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 346 D C 2.319 178.519 176.300 -0.165 0.000 0.992 346 D CA 1.877 55.827 54.000 -0.084 0.000 0.833 346 D CB -0.313 40.490 40.800 0.006 0.000 0.954 346 D HN 0.379 nan 8.370 nan 0.000 0.455 347 T N -0.108 114.333 114.554 -0.188 0.000 2.614 347 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 347 T C 2.076 176.525 174.700 -0.418 0.000 1.055 347 T CA 1.936 63.920 62.100 -0.194 0.000 1.162 347 T CB -0.365 68.477 68.868 -0.044 0.000 0.863 347 T HN 0.146 nan 8.240 nan 0.000 0.414 348 V N -0.902 118.517 119.914 -0.826 0.000 2.878 348 V HA 0.194 4.314 4.120 -0.000 0.000 0.250 348 V C 1.464 176.914 176.094 -1.073 0.000 1.075 348 V CA 1.128 62.770 62.300 -1.097 0.000 1.096 348 V CB -0.692 30.095 31.823 -1.726 0.000 0.724 348 V HN 0.402 nan 8.190 nan 0.000 0.467 349 F N 0.653 120.242 119.950 -0.602 0.000 2.682 349 F HA 0.710 5.237 4.527 -0.000 0.000 0.308 349 F C 1.890 177.358 175.800 -0.553 0.000 1.093 349 F CA 0.369 58.051 58.000 -0.531 0.000 1.244 349 F CB 0.187 38.844 39.000 -0.571 0.000 1.052 349 F HN 0.261 nan 8.300 nan 0.000 0.573 350 A N -0.489 122.126 122.820 -0.340 0.000 2.508 350 A HA 0.248 4.568 4.320 -0.000 0.000 0.250 350 A C 0.652 178.161 177.584 -0.125 0.000 1.208 350 A CA -0.144 51.751 52.037 -0.238 0.000 0.960 350 A CB -0.717 18.174 19.000 -0.182 0.000 1.099 350 A HN 0.317 nan 8.150 nan 0.000 0.542 351 N N 0.388 118.997 118.700 -0.152 0.000 2.710 351 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 351 N C -0.234 175.238 175.510 -0.064 0.000 1.059 351 N CA 1.325 54.313 53.050 -0.104 0.000 0.720 351 N CB -1.097 37.349 38.487 -0.068 0.000 0.983 351 N HN 0.793 nan 8.380 nan 0.000 0.544 352 K N -1.287 119.078 120.400 -0.059 0.000 2.753 352 K HA 0.307 4.627 4.320 -0.000 0.000 0.185 352 K C -2.998 173.610 176.600 0.013 0.000 1.071 352 K CA -1.725 54.554 56.287 -0.014 0.000 0.999 352 K CB 1.377 33.879 32.500 0.004 0.000 1.244 352 K HN -0.098 nan 8.250 nan 0.000 0.594 353 P HA -0.078 nan 4.420 nan 0.000 0.258 353 P C -0.721 176.733 177.300 0.257 0.000 1.172 353 P CA 0.351 63.519 63.100 0.113 0.000 0.762 353 P CB 0.507 32.196 31.700 -0.019 0.000 0.764 354 R N 2.345 123.029 120.500 0.306 0.000 2.725 354 R HA 0.724 5.064 4.340 -0.000 0.000 0.277 354 R C -1.263 175.057 176.300 0.033 0.000 0.987 354 R CA -0.928 55.274 56.100 0.169 0.000 0.901 354 R CB 2.719 33.070 30.300 0.085 0.000 1.207 354 R HN 0.501 nan 8.270 nan 0.000 0.463 355 A N 1.821 124.532 122.820 -0.181 0.000 2.356 355 A HA 0.431 4.751 4.320 -0.000 0.000 0.310 355 A C -0.560 176.915 177.584 -0.182 0.000 1.075 355 A CA -0.523 51.285 52.037 -0.381 0.000 0.746 355 A CB 1.626 20.135 19.000 -0.818 0.000 1.221 355 A HN 0.589 nan 8.150 nan 0.000 0.443 356 T N 1.861 116.331 114.554 -0.140 0.000 2.902 356 T HA 0.108 4.458 4.350 -0.000 0.000 0.301 356 T C -0.034 174.468 174.700 -0.330 0.000 1.012 356 T CA 0.820 62.791 62.100 -0.215 0.000 1.151 356 T CB 0.132 68.849 68.868 -0.252 0.000 0.946 356 T HN 0.609 nan 8.240 nan 0.000 0.542 357 D N 2.076 122.311 120.400 -0.275 0.000 2.422 357 D HA 0.080 4.720 4.640 -0.000 0.000 0.227 357 D C 0.532 176.669 176.300 -0.273 0.000 1.190 357 D CA -0.315 53.565 54.000 -0.200 0.000 0.905 357 D CB 0.232 40.968 40.800 -0.107 0.000 1.034 357 D HN 0.551 nan 8.370 nan 0.000 0.507 358 H N 1.009 120.063 119.070 -0.027 0.000 2.556 358 H HA 0.116 4.672 4.556 -0.000 0.000 0.273 358 H C 0.571 175.879 175.328 -0.034 0.000 1.030 358 H CA 0.359 56.394 56.048 -0.023 0.000 1.156 358 H CB 0.068 29.823 29.762 -0.011 0.000 1.326 358 H HN 0.265 nan 8.280 nan 0.000 0.609 359 T N -1.639 112.921 114.554 0.009 0.000 2.929 359 T HA 0.245 4.595 4.350 -0.000 0.000 0.284 359 T C 0.189 174.822 174.700 -0.110 0.000 1.014 359 T CA -1.247 60.821 62.100 -0.053 0.000 1.051 359 T CB 1.625 70.464 68.868 -0.049 0.000 1.028 359 T HN 0.189 nan 8.240 nan 0.000 0.485 360 K N -0.049 120.236 120.400 -0.191 0.000 3.077 360 K HA -0.111 4.209 4.320 -0.000 0.000 0.264 360 K C -0.625 175.909 176.600 -0.111 0.000 1.008 360 K CA 0.171 56.355 56.287 -0.171 0.000 0.740 360 K CB -2.335 30.079 32.500 -0.143 0.000 1.273 360 K HN 0.560 nan 8.250 nan 0.000 0.477 361 V N 0.937 120.795 119.914 -0.094 0.000 2.383 361 V HA 0.404 4.524 4.120 -0.000 0.000 0.275 361 V C 0.907 176.962 176.094 -0.066 0.000 1.036 361 V CA -0.319 61.942 62.300 -0.065 0.000 0.889 361 V CB 1.479 33.281 31.823 -0.036 0.000 0.985 361 V HN 0.450 nan 8.190 nan 0.000 0.459 362 A N 4.903 127.688 122.820 -0.057 0.000 2.371 362 A HA 0.702 5.022 4.320 -0.000 0.000 0.257 362 A C 0.143 177.699 177.584 -0.046 0.000 1.089 362 A CA 0.012 52.017 52.037 -0.054 0.000 0.794 362 A CB 0.368 19.340 19.000 -0.046 0.000 1.029 362 A HN 1.548 nan 8.150 nan 0.000 0.488 363 C N -0.508 118.763 119.300 -0.048 0.000 3.284 363 C HA 0.895 5.355 4.460 -0.000 0.000 0.338 363 C C -0.335 174.605 174.990 -0.083 0.000 1.237 363 C CA -0.056 58.929 59.018 -0.055 0.000 1.276 363 C CB 0.760 28.468 27.740 -0.053 0.000 1.601 363 C HN 2.006 nan 8.230 nan 0.000 0.494 364 A N 1.473 124.187 122.820 -0.178 0.000 2.454 364 A HA 0.894 5.214 4.320 -0.000 0.000 0.302 364 A C -1.236 176.089 177.584 -0.431 0.000 1.079 364 A CA -0.575 51.251 52.037 -0.352 0.000 0.731 364 A CB 1.633 20.269 19.000 -0.606 0.000 1.299 364 A HN 1.708 nan 8.150 nan 0.000 0.413 365 V N 1.575 121.233 119.914 -0.425 0.000 2.357 365 V HA 0.303 4.423 4.120 -0.000 0.000 0.284 365 V C -0.875 175.009 176.094 -0.351 0.000 1.018 365 V CA -0.043 62.082 62.300 -0.292 0.000 0.841 365 V CB 0.772 32.415 31.823 -0.300 0.000 0.991 365 V HN 0.744 nan 8.190 nan 0.000 0.437 366 F N 3.529 123.455 119.950 -0.041 0.000 2.833 366 F HA 0.192 4.719 4.527 -0.000 0.000 0.327 366 F C 1.518 177.276 175.800 -0.069 0.000 1.184 366 F CA -0.212 57.756 58.000 -0.053 0.000 1.328 366 F CB -0.101 38.871 39.000 -0.048 0.000 1.440 366 F HN 0.569 nan 8.300 nan 0.000 0.569 367 S N -0.195 115.507 115.700 0.002 0.000 2.641 367 S HA 0.584 5.054 4.470 -0.000 0.000 0.261 367 S C -0.234 174.358 174.600 -0.014 0.000 1.257 367 S CA -0.627 57.559 58.200 -0.024 0.000 0.983 367 S CB 1.335 64.487 63.200 -0.080 0.000 0.990 367 S HN 0.255 nan 8.310 nan 0.000 0.572 368 I N 2.357 122.917 120.570 -0.017 0.000 2.464 368 I HA 0.363 4.533 4.170 -0.000 0.000 0.277 368 I C -2.235 173.884 176.117 0.004 0.000 1.040 368 I CA -1.938 59.360 61.300 -0.002 0.000 1.153 368 I CB 1.850 39.856 38.000 0.009 0.000 1.274 368 I HN 0.569 nan 8.210 nan 0.000 0.469 369 P HA 0.517 nan 4.420 nan 0.000 0.280 369 P C -2.857 174.403 177.300 -0.066 0.000 1.272 369 P CA -1.927 61.154 63.100 -0.031 0.000 0.819 369 P CB 1.069 32.746 31.700 -0.039 0.000 1.122 370 P HA 0.424 nan 4.420 nan 0.000 0.284 370 P C -0.674 176.516 177.300 -0.184 0.000 1.292 370 P CA -0.377 62.634 63.100 -0.148 0.000 0.800 370 P CB 1.117 32.711 31.700 -0.176 0.000 1.188 371 M N -0.834 118.623 119.600 -0.238 0.000 2.572 371 M HA 0.615 5.095 4.480 -0.000 0.000 0.299 371 M C -0.206 175.976 176.300 -0.196 0.000 1.205 371 M CA -0.437 54.745 55.300 -0.196 0.000 0.876 371 M CB 2.903 35.392 32.600 -0.185 0.000 1.728 371 M HN 0.421 nan 8.290 nan 0.000 0.458 372 G N 1.589 110.319 108.800 -0.117 0.000 2.753 372 G HA2 0.647 4.607 3.960 -0.000 0.000 0.282 372 G HA3 0.647 4.607 3.960 -0.000 0.000 0.282 372 G C -1.448 173.432 174.900 -0.034 0.000 1.512 372 G CA -0.557 44.486 45.100 -0.094 0.000 1.076 372 G HN 0.695 nan 8.290 nan 0.000 0.545 373 V N -0.973 118.946 119.914 0.008 0.000 2.823 373 V HA 0.883 5.003 4.120 -0.000 0.000 0.312 373 V C -0.518 175.535 176.094 -0.069 0.000 1.072 373 V CA -1.341 60.969 62.300 0.016 0.000 0.937 373 V CB 1.384 33.366 31.823 0.265 0.000 1.013 373 V HN 0.909 nan 8.190 nan 0.000 0.430 374 C N 3.668 122.851 119.300 -0.194 0.000 2.551 374 C HA 0.935 5.395 4.460 -0.000 0.000 0.332 374 C C 0.723 175.589 174.990 -0.206 0.000 1.139 374 C CA 1.091 60.011 59.018 -0.163 0.000 1.328 374 C CB 0.249 27.910 27.740 -0.131 0.000 1.903 374 C HN 2.510 nan 8.230 nan 0.000 0.459 375 G N 4.510 113.216 108.800 -0.157 0.000 2.484 375 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.225 375 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.225 375 G C -1.264 173.605 174.900 -0.051 0.000 1.250 375 G CA -0.017 44.954 45.100 -0.215 0.000 0.926 375 G HN 0.854 nan 8.290 nan 0.000 0.581 376 Y N -0.214 120.143 120.300 0.094 0.000 2.403 376 Y HA 0.604 5.154 4.550 -0.000 0.000 0.323 376 Y C 1.144 177.149 175.900 0.175 0.000 1.226 376 Y CA -0.862 57.303 58.100 0.107 0.000 1.235 376 Y CB 1.384 39.883 38.460 0.065 0.000 1.248 376 Y HN 0.473 nan 8.280 nan 0.000 0.489 377 V N 1.833 121.870 119.914 0.205 0.000 2.743 377 V HA 0.126 4.246 4.120 -0.000 0.000 0.301 377 V C 0.724 176.815 176.094 -0.006 0.000 1.057 377 V CA -0.781 61.496 62.300 -0.038 0.000 1.006 377 V CB 1.356 33.127 31.823 -0.087 0.000 1.024 377 V HN 0.857 nan 8.190 nan 0.000 0.473 378 E N 1.595 121.775 120.200 -0.034 0.000 2.097 378 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 378 E C 1.626 178.046 176.600 -0.299 0.000 1.000 378 E CA 1.742 58.077 56.400 -0.109 0.000 0.804 378 E CB -0.125 29.589 29.700 0.023 0.000 0.740 378 E HN 0.824 nan 8.360 nan 0.000 0.454 379 E N 1.125 121.191 120.200 -0.224 0.000 2.049 379 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 379 E C 1.780 178.255 176.600 -0.208 0.000 1.007 379 E CA 1.756 58.020 56.400 -0.228 0.000 0.809 379 E CB -0.142 29.489 29.700 -0.115 0.000 0.749 379 E HN 0.300 nan 8.360 nan 0.000 0.450 380 D N -0.338 119.954 120.400 -0.180 0.000 2.149 380 D HA -0.042 4.598 4.640 -0.000 0.000 0.201 380 D C 1.839 177.946 176.300 -0.321 0.000 0.972 380 D CA 1.261 55.105 54.000 -0.260 0.000 0.835 380 D CB -0.329 40.284 40.800 -0.311 0.000 0.966 380 D HN 0.207 nan 8.370 nan 0.000 0.476 381 A N 1.365 124.041 122.820 -0.240 0.000 1.902 381 A HA -0.029 4.290 4.320 -0.000 0.000 0.217 381 A C 2.326 179.917 177.584 0.011 0.000 1.181 381 A CA 1.989 53.996 52.037 -0.051 0.000 0.623 381 A CB -0.690 18.354 19.000 0.073 0.000 0.818 381 A HN 0.222 nan 8.150 nan 0.000 0.443 382 A N -0.267 122.468 122.820 -0.141 0.000 2.024 382 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 382 A C 1.804 179.340 177.584 -0.080 0.000 1.164 382 A CA 1.639 53.582 52.037 -0.157 0.000 0.643 382 A CB -0.329 18.351 19.000 -0.533 0.000 0.806 382 A HN 0.544 nan 8.150 nan 0.000 0.451 383 K N -1.368 118.965 120.400 -0.112 0.000 2.437 383 K HA 0.200 4.520 4.320 -0.000 0.000 0.205 383 K C 0.954 177.480 176.600 -0.123 0.000 1.026 383 K CA 0.215 56.444 56.287 -0.096 0.000 1.153 383 K CB 0.342 32.778 32.500 -0.107 0.000 0.863 383 K HN 0.382 nan 8.250 nan 0.000 0.502 384 K N -0.254 120.072 120.400 -0.123 0.000 2.544 384 K HA 0.149 4.469 4.320 -0.000 0.000 0.213 384 K C -0.828 175.447 176.600 -0.541 0.000 1.392 384 K CA 0.091 56.202 56.287 -0.295 0.000 0.980 384 K CB 0.784 33.141 32.500 -0.239 0.000 1.177 384 K HN -0.055 nan 8.250 nan 0.000 0.570 385 Y N 0.962 121.253 120.300 -0.015 0.000 2.492 385 Y HA 0.084 4.634 4.550 -0.000 0.000 0.346 385 Y C 0.485 176.413 175.900 0.048 0.000 0.997 385 Y CA -1.385 56.731 58.100 0.027 0.000 1.025 385 Y CB 1.557 40.049 38.460 0.052 0.000 1.263 385 Y HN 0.035 nan 8.280 nan 0.000 0.454 386 D N 1.036 121.546 120.400 0.183 0.000 2.192 386 D HA -0.246 4.394 4.640 -0.000 0.000 0.189 386 D C -0.455 175.946 176.300 0.169 0.000 1.007 386 D CA 1.840 55.924 54.000 0.139 0.000 0.859 386 D CB 0.012 40.886 40.800 0.124 0.000 0.936 386 D HN 0.754 nan 8.370 nan 0.000 0.447 387 Q N -0.341 119.593 119.800 0.223 0.000 2.320 387 Q HA 0.582 4.922 4.340 -0.000 0.000 0.272 387 Q C -0.993 175.196 176.000 0.316 0.000 1.023 387 Q CA -1.023 54.938 55.803 0.263 0.000 0.855 387 Q CB 2.896 31.781 28.738 0.245 0.000 1.367 387 Q HN 0.161 nan 8.270 nan 0.000 0.406 388 V N -1.527 118.593 119.914 0.343 0.000 2.735 388 V HA 1.025 5.145 4.120 -0.000 0.000 0.310 388 V C -0.804 175.467 176.094 0.295 0.000 1.061 388 V CA -0.617 61.861 62.300 0.298 0.000 0.913 388 V CB 1.452 33.406 31.823 0.219 0.000 1.005 388 V HN 0.981 nan 8.190 nan 0.000 0.428 389 A N 3.623 126.526 122.820 0.138 0.000 2.340 389 A HA 0.937 5.256 4.320 -0.000 0.000 0.331 389 A C -0.688 176.714 177.584 -0.303 0.000 1.140 389 A CA -0.765 51.081 52.037 -0.317 0.000 0.801 389 A CB 1.879 20.665 19.000 -0.357 0.000 1.234 389 A HN 1.426 nan 8.150 nan 0.000 0.469 390 V N 2.008 121.509 119.914 -0.688 0.000 2.588 390 V HA 0.446 4.566 4.120 -0.000 0.000 0.304 390 V C -1.382 174.333 176.094 -0.632 0.000 1.042 390 V CA -0.376 61.619 62.300 -0.508 0.000 0.877 390 V CB 1.252 32.649 31.823 -0.710 0.000 0.996 390 V HN 0.786 nan 8.190 nan 0.000 0.425 391 Y N 2.244 122.391 120.300 -0.255 0.000 2.446 391 Y HA 0.736 5.286 4.550 -0.000 0.000 0.338 391 Y C 0.199 176.044 175.900 -0.092 0.000 1.055 391 Y CA -0.975 57.026 58.100 -0.165 0.000 1.101 391 Y CB 1.776 40.189 38.460 -0.077 0.000 1.221 391 Y HN 0.665 nan 8.280 nan 0.000 0.460 392 E N 0.855 121.107 120.200 0.086 0.000 2.331 392 E HA 0.634 4.984 4.350 -0.000 0.000 0.275 392 E C -1.655 175.023 176.600 0.129 0.000 0.895 392 E CA -0.572 55.885 56.400 0.094 0.000 0.753 392 E CB 1.779 31.512 29.700 0.054 0.000 1.216 392 E HN 0.523 nan 8.360 nan 0.000 0.434 393 S N 2.256 118.055 115.700 0.166 0.000 2.533 393 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 393 S C -1.752 173.018 174.600 0.283 0.000 1.143 393 S CA -0.282 58.049 58.200 0.218 0.000 0.891 393 S CB 1.354 64.697 63.200 0.238 0.000 1.105 393 S HN 0.574 nan 8.310 nan 0.000 0.468 394 S N 2.616 118.522 115.700 0.344 0.000 2.537 394 S HA 0.910 5.380 4.470 -0.000 0.000 0.270 394 S C -1.177 173.713 174.600 0.483 0.000 1.142 394 S CA -0.885 57.508 58.200 0.321 0.000 0.870 394 S CB 1.095 64.380 63.200 0.142 0.000 1.112 394 S HN 1.647 nan 8.310 nan 0.000 0.466 395 F N -2.336 117.703 119.950 0.147 0.000 2.725 395 F HA 0.690 5.217 4.527 -0.000 0.000 0.309 395 F C -1.119 174.764 175.800 0.138 0.000 1.132 395 F CA -0.937 57.137 58.000 0.123 0.000 0.957 395 F CB 0.797 39.866 39.000 0.114 0.000 1.286 395 F HN 0.436 nan 8.300 nan 0.000 0.440 396 T N 3.439 118.088 114.554 0.158 0.000 2.738 396 T HA 0.466 4.816 4.350 -0.000 0.000 0.298 396 T C -2.610 172.198 174.700 0.180 0.000 0.962 396 T CA -1.066 61.080 62.100 0.077 0.000 0.972 396 T CB 0.745 69.661 68.868 0.080 0.000 0.928 396 T HN 0.338 nan 8.240 nan 0.000 0.474 397 P HA 0.037 nan 4.420 nan 0.000 0.264 397 P C 1.181 178.550 177.300 0.115 0.000 1.179 397 P CA -0.124 63.084 63.100 0.181 0.000 0.763 397 P CB 0.584 32.331 31.700 0.078 0.000 0.806 398 L N 2.889 124.171 121.223 0.097 0.000 2.013 398 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 398 L C 2.205 179.101 176.870 0.042 0.000 1.073 398 L CA 2.129 57.008 54.840 0.065 0.000 0.753 398 L CB -0.453 41.635 42.059 0.048 0.000 0.890 398 L HN 0.506 nan 8.230 nan 0.000 0.432 399 M N -2.143 117.466 119.600 0.016 0.000 2.195 399 M HA -0.259 4.221 4.480 -0.000 0.000 0.260 399 M C 1.829 178.133 176.300 0.006 0.000 1.066 399 M CA 1.831 57.175 55.300 0.075 0.000 1.089 399 M CB -0.922 31.672 32.600 -0.011 0.000 1.377 399 M HN 0.140 nan 8.290 nan 0.000 0.411 400 H N 0.881 120.004 119.070 0.088 0.000 2.529 400 H HA 0.117 4.673 4.556 -0.000 0.000 0.277 400 H C 1.497 176.829 175.328 0.007 0.000 0.999 400 H CA 0.908 56.971 56.048 0.025 0.000 1.256 400 H CB -0.385 29.345 29.762 -0.053 0.000 1.402 400 H HN 0.593 nan 8.280 nan 0.000 0.566 401 N N 0.518 119.280 118.700 0.104 0.000 2.216 401 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 401 N C 1.954 177.466 175.510 0.005 0.000 1.017 401 N CA 0.611 53.691 53.050 0.051 0.000 0.861 401 N CB 0.210 38.718 38.487 0.036 0.000 0.986 401 N HN 0.372 nan 8.380 nan 0.000 0.428 402 I N 0.597 121.145 120.570 -0.037 0.000 2.716 402 I HA -0.112 4.058 4.170 -0.000 0.000 0.259 402 I C 2.221 178.243 176.117 -0.157 0.000 1.172 402 I CA 0.588 61.768 61.300 -0.201 0.000 1.478 402 I CB -0.108 37.606 38.000 -0.477 0.000 1.104 402 I HN 0.102 nan 8.210 nan 0.000 0.439 403 S N 0.050 115.814 115.700 0.106 0.000 2.470 403 S HA 0.135 4.605 4.470 -0.000 0.000 0.225 403 S C 1.747 176.448 174.600 0.168 0.000 1.006 403 S CA 0.789 59.150 58.200 0.267 0.000 0.934 403 S CB 0.508 63.971 63.200 0.438 0.000 0.778 403 S HN 0.554 nan 8.310 nan 0.000 0.517 404 G N 0.489 109.360 108.800 0.119 0.000 2.259 404 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 404 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 404 G C 0.446 175.380 174.900 0.057 0.000 1.001 404 G CA 0.072 45.224 45.100 0.087 0.000 0.627 404 G HN 0.679 nan 8.290 nan 0.000 0.501 405 S N 2.315 117.999 115.700 -0.026 0.000 4.069 405 S HA 0.362 4.832 4.470 -0.000 0.000 0.192 405 S C 1.689 175.947 174.600 -0.571 0.000 1.441 405 S CA 0.843 58.781 58.200 -0.437 0.000 0.994 405 S CB 0.308 63.135 63.200 -0.621 0.000 1.456 405 S HN 0.972 nan 8.310 nan 0.000 0.458 406 T N -1.078 113.355 114.554 -0.202 0.000 3.113 406 T HA -0.139 4.211 4.350 -0.000 0.000 0.263 406 T C 1.412 176.044 174.700 -0.114 0.000 1.143 406 T CA 0.514 62.561 62.100 -0.090 0.000 1.090 406 T CB -0.704 68.182 68.868 0.030 0.000 0.922 406 T HN 0.722 nan 8.240 nan 0.000 0.521 407 Y N 0.483 120.751 120.300 -0.054 0.000 2.546 407 Y HA 0.454 5.004 4.550 -0.000 0.000 0.287 407 Y C 1.005 176.846 175.900 -0.098 0.000 1.158 407 Y CA -0.993 57.072 58.100 -0.059 0.000 1.307 407 Y CB -0.336 38.091 38.460 -0.055 0.000 1.036 407 Y HN 0.023 nan 8.280 nan 0.000 0.532 408 K N 2.885 122.928 120.400 -0.596 0.000 2.278 408 K HA 0.077 4.397 4.320 -0.000 0.000 0.237 408 K C -0.218 176.248 176.600 -0.222 0.000 1.229 408 K CA -0.062 55.933 56.287 -0.487 0.000 1.155 408 K CB 0.075 32.004 32.500 -0.953 0.000 1.590 408 K HN 0.160 nan 8.250 nan 0.000 0.290 409 K N 1.384 121.708 120.400 -0.128 0.000 2.326 409 K HA 0.095 4.415 4.320 -0.000 0.000 0.275 409 K C -0.124 176.365 176.600 -0.185 0.000 1.018 409 K CA -0.190 56.022 56.287 -0.126 0.000 0.962 409 K CB 0.507 32.960 32.500 -0.078 0.000 0.953 409 K HN 0.175 nan 8.250 nan 0.000 0.475 410 F N 2.658 122.299 119.950 -0.515 0.000 2.404 410 F HA 0.381 4.908 4.527 -0.000 0.000 0.339 410 F C -0.156 175.419 175.800 -0.375 0.000 1.105 410 F CA -0.696 56.974 58.000 -0.550 0.000 1.087 410 F CB 1.063 39.460 39.000 -1.006 0.000 1.143 410 F HN 0.430 nan 8.300 nan 0.000 0.491 411 M N 7.051 126.245 119.600 -0.676 0.000 2.224 411 M HA 0.582 5.062 4.480 -0.000 0.000 0.281 411 M C -2.196 173.963 176.300 -0.235 0.000 1.025 411 M CA -0.428 54.721 55.300 -0.252 0.000 0.954 411 M CB 1.491 33.978 32.600 -0.189 0.000 1.639 411 M HN 0.297 nan 8.290 nan 0.000 0.461 412 V N 4.990 124.940 119.914 0.061 0.000 2.487 412 V HA 0.684 4.804 4.120 -0.000 0.000 0.298 412 V C -0.518 175.660 176.094 0.140 0.000 1.028 412 V CA -0.734 61.639 62.300 0.122 0.000 0.860 412 V CB 1.753 33.737 31.823 0.270 0.000 0.991 412 V HN 0.812 nan 8.190 nan 0.000 0.427 413 R N 4.682 125.264 120.500 0.137 0.000 2.561 413 R HA 0.717 5.057 4.340 -0.000 0.000 0.297 413 R C -1.441 174.969 176.300 0.184 0.000 0.969 413 R CA -0.625 55.569 56.100 0.157 0.000 0.879 413 R CB 2.718 33.111 30.300 0.156 0.000 1.178 413 R HN 0.606 nan 8.270 nan 0.000 0.445 414 I N 2.414 123.081 120.570 0.162 0.000 2.465 414 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 414 I C -0.421 175.785 176.117 0.148 0.000 1.014 414 I CA -1.033 60.327 61.300 0.101 0.000 1.093 414 I CB 2.395 40.364 38.000 -0.052 0.000 1.267 414 I HN 0.153 nan 8.210 nan 0.000 0.431 415 V N 4.545 124.526 119.914 0.112 0.000 2.459 415 V HA 0.648 4.768 4.120 -0.000 0.000 0.295 415 V C 0.097 176.222 176.094 0.052 0.000 1.029 415 V CA -0.412 61.957 62.300 0.115 0.000 0.874 415 V CB 1.712 33.631 31.823 0.160 0.000 0.985 415 V HN 0.881 nan 8.190 nan 0.000 0.438 416 T N 0.238 114.841 114.554 0.082 0.000 2.901 416 T HA 0.425 4.774 4.350 -0.000 0.000 0.293 416 T C -0.430 174.287 174.700 0.028 0.000 1.084 416 T CA -0.847 61.271 62.100 0.029 0.000 1.008 416 T CB 1.753 70.681 68.868 0.100 0.000 1.170 416 T HN 0.648 nan 8.240 nan 0.000 0.509 417 N N 0.234 118.890 118.700 -0.074 0.000 2.469 417 N HA 0.036 4.776 4.740 -0.000 0.000 0.239 417 N C 0.844 176.408 175.510 0.091 0.000 1.053 417 N CA -0.431 52.561 53.050 -0.097 0.000 0.937 417 N CB 0.315 38.579 38.487 -0.373 0.000 1.163 417 N HN 0.788 nan 8.380 nan 0.000 0.509 418 H N 3.277 122.410 119.070 0.104 0.000 2.541 418 H HA -0.144 4.412 4.556 -0.000 0.000 0.289 418 H C 1.511 176.903 175.328 0.107 0.000 1.054 418 H CA 1.319 57.459 56.048 0.153 0.000 1.250 418 H CB 0.551 30.466 29.762 0.256 0.000 1.369 418 H HN 0.789 nan 8.280 nan 0.000 0.578 419 A N 0.945 123.783 122.820 0.030 0.000 1.929 419 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 419 A C 1.593 179.145 177.584 -0.053 0.000 1.176 419 A CA 1.653 53.677 52.037 -0.021 0.000 0.628 419 A CB 0.044 19.076 19.000 0.055 0.000 0.816 419 A HN 0.645 nan 8.150 nan 0.000 0.444 420 D N -4.082 116.298 120.400 -0.034 0.000 2.539 420 D HA 0.287 4.927 4.640 -0.000 0.000 0.232 420 D C 0.953 177.227 176.300 -0.043 0.000 1.256 420 D CA 0.676 54.653 54.000 -0.037 0.000 0.810 420 D CB -0.678 40.111 40.800 -0.019 0.000 1.090 420 D HN 0.764 nan 8.370 nan 0.000 0.519 421 G N 0.827 109.609 108.800 -0.029 0.000 2.168 421 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 421 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 421 G C -0.022 174.831 174.900 -0.079 0.000 0.997 421 G CA 0.419 45.512 45.100 -0.012 0.000 0.708 421 G HN 0.567 nan 8.290 nan 0.000 0.520 422 E N 0.273 120.417 120.200 -0.094 0.000 2.316 422 E HA 0.372 4.722 4.350 -0.000 0.000 0.275 422 E C 0.502 177.003 176.600 -0.165 0.000 1.029 422 E CA -0.589 55.733 56.400 -0.130 0.000 0.871 422 E CB 0.882 30.516 29.700 -0.109 0.000 1.022 422 E HN 0.093 nan 8.360 nan 0.000 0.418 423 V N 7.148 126.933 119.914 -0.215 0.000 2.446 423 V HA -0.032 4.088 4.120 -0.000 0.000 0.276 423 V C 1.228 177.222 176.094 -0.167 0.000 1.030 423 V CA 0.392 62.544 62.300 -0.247 0.000 1.033 423 V CB 0.560 32.134 31.823 -0.416 0.000 0.993 423 V HN 0.722 nan 8.190 nan 0.000 0.477 424 L N 4.146 125.297 121.223 -0.120 0.000 2.470 424 L HA 0.484 4.824 4.340 -0.000 0.000 0.219 424 L C 1.065 177.889 176.870 -0.078 0.000 1.071 424 L CA 0.656 55.453 54.840 -0.071 0.000 0.850 424 L CB 0.141 42.240 42.059 0.065 0.000 1.040 424 L HN 0.761 nan 8.230 nan 0.000 0.475 425 G N -0.397 108.379 108.800 -0.039 0.000 2.720 425 G HA2 0.568 4.528 3.960 -0.000 0.000 0.295 425 G HA3 0.568 4.528 3.960 -0.000 0.000 0.295 425 G C -1.887 172.882 174.900 -0.218 0.000 1.437 425 G CA -0.279 44.781 45.100 -0.068 0.000 0.886 425 G HN -0.269 nan 8.290 nan 0.000 0.509 426 V N 2.197 121.773 119.914 -0.562 0.000 2.686 426 V HA 0.620 4.740 4.120 -0.000 0.000 0.306 426 V C -1.185 174.401 176.094 -0.846 0.000 1.065 426 V CA -0.897 61.148 62.300 -0.426 0.000 0.894 426 V CB 2.042 33.780 31.823 -0.141 0.000 1.004 426 V HN 0.835 nan 8.190 nan 0.000 0.424 427 H N 5.241 124.333 119.070 0.037 0.000 2.934 427 H HA 0.621 5.177 4.556 -0.000 0.000 0.340 427 H C -1.043 174.275 175.328 -0.016 0.000 1.008 427 H CA -0.487 55.575 56.048 0.023 0.000 1.317 427 H CB 1.920 31.706 29.762 0.040 0.000 1.670 427 H HN 0.516 nan 8.280 nan 0.000 0.516 428 M N 3.218 122.818 119.600 -0.001 0.000 2.464 428 M HA 0.361 4.841 4.480 -0.000 0.000 0.308 428 M C -1.119 175.029 176.300 -0.254 0.000 1.127 428 M CA -1.076 54.127 55.300 -0.162 0.000 0.913 428 M CB 3.294 35.811 32.600 -0.138 0.000 1.689 428 M HN 0.281 nan 8.290 nan 0.000 0.445 429 L N 1.856 122.805 121.223 -0.457 0.000 2.385 429 L HA 1.017 5.356 4.340 -0.000 0.000 0.273 429 L C -0.411 176.097 176.870 -0.603 0.000 0.990 429 L CA 0.446 55.056 54.840 -0.384 0.000 0.821 429 L CB 2.039 43.941 42.059 -0.262 0.000 1.279 429 L HN 0.873 nan 8.230 nan 0.000 0.412 430 G N 2.796 111.401 108.800 -0.324 0.000 2.340 430 G HA2 0.048 4.008 3.960 -0.000 0.000 0.527 430 G HA3 0.048 4.008 3.960 -0.000 0.000 0.527 430 G C -1.736 173.216 174.900 0.087 0.000 1.381 430 G CA -0.808 44.218 45.100 -0.122 0.000 1.001 430 G HN 0.675 nan 8.290 nan 0.000 0.626 431 D N 0.107 120.620 120.400 0.189 0.000 2.423 431 D HA 0.410 5.050 4.640 -0.000 0.000 0.238 431 D C 1.197 177.607 176.300 0.182 0.000 1.142 431 D CA 1.380 55.462 54.000 0.136 0.000 0.884 431 D CB 1.058 41.920 40.800 0.104 0.000 1.199 431 D HN 1.002 nan 8.370 nan 0.000 0.438 432 S N -0.536 115.220 115.700 0.094 0.000 2.691 432 S HA -0.283 4.187 4.470 -0.000 0.000 0.262 432 S C 1.683 176.336 174.600 0.089 0.000 1.284 432 S CA 1.321 59.567 58.200 0.076 0.000 1.372 432 S CB -1.449 61.787 63.200 0.060 0.000 1.693 432 S HN 0.659 nan 8.310 nan 0.000 0.647 433 S N 1.632 117.402 115.700 0.116 0.000 2.440 433 S HA -0.063 4.407 4.470 -0.000 0.000 0.240 433 S C -0.730 173.858 174.600 -0.020 0.000 1.014 433 S CA 1.493 59.737 58.200 0.074 0.000 0.980 433 S CB -1.290 61.903 63.200 -0.012 0.000 0.775 433 S HN 0.527 nan 8.310 nan 0.000 0.499 434 P HA 0.108 nan 4.420 nan 0.000 0.224 434 P C 1.546 178.828 177.300 -0.030 0.000 1.157 434 P CA 0.705 63.734 63.100 -0.118 0.000 0.799 434 P CB 0.074 31.642 31.700 -0.220 0.000 0.809 435 E N -0.356 119.846 120.200 0.004 0.000 2.051 435 E HA -0.035 4.315 4.350 -0.000 0.000 0.189 435 E C 2.059 178.662 176.600 0.006 0.000 0.979 435 E CA 0.933 57.342 56.400 0.015 0.000 0.803 435 E CB -0.673 29.039 29.700 0.019 0.000 0.761 435 E HN 0.290 nan 8.360 nan 0.000 0.451 436 I N 0.833 121.414 120.570 0.019 0.000 2.179 436 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 436 I C 2.504 178.622 176.117 0.002 0.000 1.088 436 I CA 0.694 62.005 61.300 0.020 0.000 1.357 436 I CB -0.324 37.719 38.000 0.072 0.000 1.051 436 I HN 0.022 nan 8.210 nan 0.000 0.409 437 I N 1.124 121.694 120.570 0.000 0.000 2.657 437 I HA -0.305 3.865 4.170 -0.000 0.000 0.261 437 I C 2.419 178.520 176.117 -0.026 0.000 1.212 437 I CA 1.484 62.773 61.300 -0.018 0.000 1.453 437 I CB -0.403 37.575 38.000 -0.037 0.000 1.092 437 I HN 0.249 nan 8.210 nan 0.000 0.452 438 Q N 0.303 120.089 119.800 -0.022 0.000 2.079 438 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 438 Q C 2.306 178.289 176.000 -0.028 0.000 0.974 438 Q CA 2.372 58.161 55.803 -0.022 0.000 0.840 438 Q CB -0.346 28.384 28.738 -0.013 0.000 0.898 438 Q HN 0.626 nan 8.270 nan 0.000 0.430 439 S N -1.366 114.314 115.700 -0.035 0.000 2.436 439 S HA -0.011 4.458 4.470 -0.000 0.000 0.228 439 S C 1.974 176.539 174.600 -0.058 0.000 1.014 439 S CA 0.675 58.846 58.200 -0.048 0.000 0.950 439 S CB -0.396 62.769 63.200 -0.058 0.000 0.784 439 S HN 0.180 nan 8.310 nan 0.000 0.504 440 V N 2.600 122.485 119.914 -0.049 0.000 2.332 440 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 440 V C 3.060 179.156 176.094 0.004 0.000 1.055 440 V CA 1.783 64.070 62.300 -0.022 0.000 1.038 440 V CB -1.366 30.467 31.823 0.015 0.000 0.651 440 V HN 0.642 nan 8.190 nan 0.000 0.450 441 A N -0.368 122.440 122.820 -0.020 0.000 1.978 441 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 441 A C 2.126 179.696 177.584 -0.024 0.000 1.170 441 A CA 2.022 54.042 52.037 -0.029 0.000 0.636 441 A CB -0.561 18.416 19.000 -0.039 0.000 0.810 441 A HN 0.555 nan 8.150 nan 0.000 0.448 442 I N -1.073 119.482 120.570 -0.024 0.000 2.315 442 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 442 I C 2.494 178.604 176.117 -0.012 0.000 1.117 442 I CA 0.813 62.099 61.300 -0.023 0.000 1.404 442 I CB -0.428 37.555 38.000 -0.028 0.000 1.071 442 I HN 0.377 nan 8.210 nan 0.000 0.419 443 C N 0.633 119.932 119.300 -0.001 0.000 2.393 443 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 443 C C 2.699 177.720 174.990 0.052 0.000 1.215 443 C CA 0.768 59.809 59.018 0.040 0.000 1.743 443 C CB -0.958 26.841 27.740 0.098 0.000 2.044 443 C HN 0.437 nan 8.230 nan 0.000 0.464 444 L N 0.305 121.552 121.223 0.040 0.000 2.141 444 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 444 L C 2.693 179.546 176.870 -0.028 0.000 1.094 444 L CA 1.339 56.175 54.840 -0.006 0.000 0.763 444 L CB -0.980 41.056 42.059 -0.039 0.000 0.908 444 L HN 0.404 nan 8.230 nan 0.000 0.437 445 K N 0.525 120.910 120.400 -0.024 0.000 2.057 445 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 445 K C 1.811 178.399 176.600 -0.019 0.000 1.049 445 K CA 1.260 57.530 56.287 -0.028 0.000 0.931 445 K CB -0.058 32.426 32.500 -0.027 0.000 0.714 445 K HN 0.343 nan 8.250 nan 0.000 0.440 446 M N -0.210 119.383 119.600 -0.011 0.000 2.628 446 M HA 0.086 4.566 4.480 -0.000 0.000 0.232 446 M C 0.565 176.861 176.300 -0.007 0.000 1.128 446 M CA 0.426 55.721 55.300 -0.008 0.000 1.040 446 M CB 0.219 32.816 32.600 -0.005 0.000 1.608 446 M HN 0.203 nan 8.290 nan 0.000 0.507 447 G N 1.931 110.723 108.800 -0.013 0.000 2.314 447 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.292 447 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.292 447 G C 0.186 175.071 174.900 -0.025 0.000 1.059 447 G CA 0.113 45.199 45.100 -0.024 0.000 0.982 447 G HN 0.730 nan 8.290 nan 0.000 0.505 448 A N -0.444 122.378 122.820 0.003 0.000 2.466 448 A HA 0.588 4.908 4.320 -0.000 0.000 0.238 448 A C 0.806 178.341 177.584 -0.082 0.000 1.074 448 A CA 0.641 52.694 52.037 0.027 0.000 0.774 448 A CB 0.470 19.591 19.000 0.202 0.000 1.015 448 A HN 0.572 nan 8.150 nan 0.000 0.498 449 K N 0.550 120.887 120.400 -0.106 0.000 2.238 449 K HA 0.365 4.685 4.320 -0.000 0.000 0.239 449 K C 0.713 177.120 176.600 -0.321 0.000 0.987 449 K CA -0.892 55.277 56.287 -0.196 0.000 0.857 449 K CB 1.516 33.928 32.500 -0.146 0.000 1.154 449 K HN 0.500 nan 8.250 nan 0.000 0.439 450 I N 1.869 122.204 120.570 -0.391 0.000 2.335 450 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 450 I C 1.914 177.659 176.117 -0.620 0.000 1.129 450 I CA 1.796 62.796 61.300 -0.499 0.000 1.402 450 I CB -0.307 37.459 38.000 -0.389 0.000 1.069 450 I HN 0.716 nan 8.210 nan 0.000 0.424 451 S N -0.916 114.381 115.700 -0.672 0.000 2.447 451 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 451 S C 1.704 175.921 174.600 -0.638 0.000 1.006 451 S CA 1.033 58.556 58.200 -1.128 0.000 0.957 451 S CB -0.563 62.336 63.200 -0.502 0.000 0.773 451 S HN 0.479 nan 8.310 nan 0.000 0.507 452 D N 0.552 120.790 120.400 -0.271 0.000 2.224 452 D HA 0.069 4.709 4.640 -0.000 0.000 0.205 452 D C 1.239 177.581 176.300 0.069 0.000 0.965 452 D CA 0.720 54.688 54.000 -0.053 0.000 0.852 452 D CB -0.163 40.666 40.800 0.049 0.000 0.947 452 D HN 0.357 nan 8.370 nan 0.000 0.494 453 F N 1.003 120.810 119.950 -0.238 0.000 2.059 453 F HA -0.117 4.410 4.527 -0.000 0.000 0.289 453 F C 2.314 178.076 175.800 -0.062 0.000 1.128 453 F CA 0.470 58.391 58.000 -0.132 0.000 1.181 453 F CB -1.572 37.353 39.000 -0.125 0.000 1.012 453 F HN 0.016 nan 8.300 nan 0.000 0.473 454 Y N -0.469 119.923 120.300 0.153 0.000 2.651 454 Y HA -0.040 4.510 4.550 -0.000 0.000 0.296 454 Y C 1.389 177.309 175.900 0.032 0.000 1.150 454 Y CA 0.637 58.774 58.100 0.061 0.000 1.348 454 Y CB -1.805 36.677 38.460 0.036 0.000 0.983 454 Y HN 0.136 nan 8.280 nan 0.000 0.555 455 N N -0.149 118.626 118.700 0.125 0.000 2.325 455 N HA 0.019 4.758 4.740 -0.000 0.000 0.182 455 N C -0.229 175.307 175.510 0.044 0.000 1.088 455 N CA 0.512 53.624 53.050 0.103 0.000 0.879 455 N CB 0.217 38.720 38.487 0.028 0.000 0.983 455 N HN 0.262 nan 8.380 nan 0.000 0.471 456 T N 1.989 116.553 114.554 0.016 0.000 2.869 456 T HA 0.309 4.659 4.350 -0.000 0.000 0.295 456 T C 0.807 175.502 174.700 -0.009 0.000 0.987 456 T CA -0.276 61.812 62.100 -0.019 0.000 1.109 456 T CB 1.459 70.285 68.868 -0.070 0.000 0.932 456 T HN -0.033 nan 8.240 nan 0.000 0.518 457 I N 2.692 123.253 120.570 -0.015 0.000 2.556 457 I HA 0.231 4.401 4.170 -0.000 0.000 0.284 457 I C 1.391 177.492 176.117 -0.027 0.000 1.114 457 I CA -0.248 61.042 61.300 -0.017 0.000 1.418 457 I CB 0.395 38.385 38.000 -0.017 0.000 1.394 457 I HN 0.667 nan 8.210 nan 0.000 0.552 458 G N 5.403 114.186 108.800 -0.027 0.000 2.507 458 G HA2 0.424 4.384 3.960 -0.000 0.000 0.271 458 G HA3 0.424 4.384 3.960 -0.000 0.000 0.271 458 G C -0.430 174.467 174.900 -0.005 0.000 1.189 458 G CA -0.406 44.679 45.100 -0.025 0.000 0.859 458 G HN 0.391 nan 8.290 nan 0.000 0.542 459 V N 1.498 121.411 119.914 -0.002 0.000 2.407 459 V HA 0.328 4.448 4.120 -0.000 0.000 0.278 459 V C -0.191 175.941 176.094 0.063 0.000 1.037 459 V CA -0.441 61.867 62.300 0.014 0.000 0.900 459 V CB 0.908 32.722 31.823 -0.016 0.000 0.983 459 V HN 0.868 nan 8.190 nan 0.000 0.459 460 H N 5.637 124.676 119.070 -0.051 0.000 2.637 460 H HA 0.734 5.290 4.556 -0.000 0.000 0.363 460 H C -2.663 172.638 175.328 -0.045 0.000 1.131 460 H CA -1.804 54.212 56.048 -0.054 0.000 1.183 460 H CB 2.149 31.881 29.762 -0.051 0.000 1.637 460 H HN 0.525 nan 8.280 nan 0.000 0.531 461 P HA 0.362 nan 4.420 nan 0.000 0.297 461 P C -1.455 175.724 177.300 -0.203 0.000 1.319 461 P CA -0.602 62.180 63.100 -0.531 0.000 0.810 461 P CB 1.511 32.865 31.700 -0.577 0.000 0.947 462 T N -2.189 112.295 114.554 -0.116 0.000 2.889 462 T HA 0.314 4.664 4.350 -0.000 0.000 0.315 462 T C 0.646 175.272 174.700 -0.123 0.000 1.291 462 T CA -0.587 61.449 62.100 -0.108 0.000 1.028 462 T CB 1.227 70.044 68.868 -0.085 0.000 1.235 462 T HN -0.029 nan 8.240 nan 0.000 0.491 463 S N 0.438 116.009 115.700 -0.214 0.000 2.371 463 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 463 S C 2.508 176.946 174.600 -0.271 0.000 1.029 463 S CA 1.142 59.096 58.200 -0.410 0.000 0.978 463 S CB -0.811 61.714 63.200 -1.125 0.000 0.833 463 S HN 0.937 nan 8.310 nan 0.000 0.466 464 A N 2.312 125.032 122.820 -0.167 0.000 1.917 464 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 464 A C 1.927 179.495 177.584 -0.027 0.000 1.182 464 A CA 1.990 53.999 52.037 -0.046 0.000 0.633 464 A CB -0.878 18.094 19.000 -0.048 0.000 0.819 464 A HN 0.784 nan 8.150 nan 0.000 0.448 465 E N -0.577 119.595 120.200 -0.046 0.000 2.396 465 E HA -0.233 4.116 4.350 -0.000 0.000 0.200 465 E C 1.476 178.061 176.600 -0.025 0.000 1.023 465 E CA 1.260 57.639 56.400 -0.034 0.000 0.857 465 E CB -0.189 29.501 29.700 -0.017 0.000 0.775 465 E HN 0.547 nan 8.360 nan 0.000 0.525 466 E N 0.686 120.878 120.200 -0.013 0.000 2.204 466 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 466 E C 1.620 178.282 176.600 0.103 0.000 0.989 466 E CA 0.422 56.836 56.400 0.024 0.000 0.824 466 E CB -0.147 29.639 29.700 0.143 0.000 0.756 466 E HN 0.267 nan 8.360 nan 0.000 0.477 467 L N -0.287 121.004 121.223 0.114 0.000 2.191 467 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 467 L C 1.498 178.463 176.870 0.159 0.000 1.103 467 L CA 1.131 56.062 54.840 0.153 0.000 0.769 467 L CB -0.556 41.535 42.059 0.053 0.000 0.908 467 L HN 0.269 nan 8.230 nan 0.000 0.438 468 C N -1.351 117.994 119.300 0.074 0.000 2.614 468 C HA 0.252 4.712 4.460 -0.000 0.000 0.299 468 C C 1.322 176.378 174.990 0.111 0.000 1.293 468 C CA -0.159 58.914 59.018 0.092 0.000 1.713 468 C CB -1.329 26.423 27.740 0.019 0.000 1.890 468 C HN 0.406 nan 8.230 nan 0.000 0.602 469 S N 0.335 116.093 115.700 0.097 0.000 2.794 469 S HA 0.356 4.826 4.470 -0.000 0.000 0.244 469 S C -0.296 174.347 174.600 0.071 0.000 1.045 469 S CA -0.056 58.178 58.200 0.057 0.000 1.114 469 S CB -0.043 63.158 63.200 0.001 0.000 1.085 469 S HN 0.513 nan 8.310 nan 0.000 0.488 470 M N 1.843 121.513 119.600 0.116 0.000 1.999 470 M HA 0.406 4.886 4.480 -0.000 0.000 0.299 470 M C 0.557 176.945 176.300 0.147 0.000 0.900 470 M CA -0.133 55.251 55.300 0.140 0.000 0.904 470 M CB 1.027 33.702 32.600 0.124 0.000 1.477 470 M HN 0.137 nan 8.290 nan 0.000 0.403 471 R N -0.072 120.487 120.500 0.097 0.000 2.307 471 R HA 0.219 4.559 4.340 -0.000 0.000 0.200 471 R C -0.256 176.177 176.300 0.223 0.000 0.893 471 R CA 0.407 56.494 56.100 -0.022 0.000 1.042 471 R CB 0.822 30.889 30.300 -0.387 0.000 1.059 471 R HN 0.411 nan 8.270 nan 0.000 0.530 472 T N 2.663 117.362 114.554 0.241 0.000 2.792 472 T HA 0.339 4.689 4.350 -0.000 0.000 0.280 472 T C -2.687 171.839 174.700 -0.290 0.000 0.990 472 T CA -1.781 60.360 62.100 0.068 0.000 0.960 472 T CB 2.362 71.233 68.868 0.004 0.000 0.939 472 T HN -0.181 nan 8.240 nan 0.000 0.439 473 P HA 0.289 nan 4.420 nan 0.000 0.271 473 P C 0.432 177.293 177.300 -0.732 0.000 1.220 473 P CA -0.309 62.045 63.100 -1.244 0.000 0.768 473 P CB 0.601 31.479 31.700 -1.370 0.000 0.848 474 A N 3.741 126.167 122.820 -0.657 0.000 1.898 474 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 474 A C 0.487 177.953 177.584 -0.196 0.000 1.181 474 A CA 1.697 53.546 52.037 -0.313 0.000 0.620 474 A CB -0.970 17.899 19.000 -0.217 0.000 0.819 474 A HN 0.716 nan 8.150 nan 0.000 0.442 475 Y N -6.229 113.725 120.300 -0.576 0.000 2.914 475 Y HA 0.686 5.236 4.550 -0.000 0.000 0.327 475 Y C -0.818 174.533 175.900 -0.914 0.000 1.440 475 Y CA -2.379 55.419 58.100 -0.503 0.000 1.086 475 Y CB 0.361 38.638 38.460 -0.304 0.000 1.544 475 Y HN -0.035 nan 8.280 nan 0.000 0.442 476 F N -1.328 118.665 119.950 0.073 0.000 2.950 476 F HA 0.700 5.227 4.527 -0.000 0.000 0.327 476 F C -1.661 174.086 175.800 -0.088 0.000 1.197 476 F CA -1.656 56.324 58.000 -0.034 0.000 0.954 476 F CB 1.462 40.416 39.000 -0.077 0.000 1.442 476 F HN 0.402 nan 8.300 nan 0.000 0.509 477 Y N 0.385 120.889 120.300 0.340 0.000 2.315 477 Y HA 0.336 4.886 4.550 -0.000 0.000 0.324 477 Y C -0.805 175.202 175.900 0.179 0.000 1.062 477 Y CA -0.882 57.347 58.100 0.215 0.000 1.159 477 Y CB 1.923 40.486 38.460 0.172 0.000 1.145 477 Y HN 0.439 nan 8.280 nan 0.000 0.442 478 E N 4.000 124.354 120.200 0.256 0.000 2.114 478 E HA 0.381 4.731 4.350 -0.000 0.000 0.266 478 E C -0.659 176.021 176.600 0.134 0.000 0.896 478 E CA -0.644 55.856 56.400 0.166 0.000 0.750 478 E CB 0.555 30.306 29.700 0.084 0.000 1.121 478 E HN 0.613 nan 8.360 nan 0.000 0.413 479 K N 3.094 123.569 120.400 0.125 0.000 3.125 479 K HA -0.248 4.072 4.320 -0.000 0.000 0.268 479 K C 0.548 177.201 176.600 0.090 0.000 1.078 479 K CA 0.698 57.037 56.287 0.087 0.000 0.775 479 K CB -1.537 31.000 32.500 0.061 0.000 1.253 479 K HN 1.018 nan 8.250 nan 0.000 0.486 480 G N -1.063 107.809 108.800 0.121 0.000 2.176 480 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.253 480 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.253 480 G C -0.187 174.825 174.900 0.188 0.000 0.979 480 G CA 0.591 45.758 45.100 0.111 0.000 0.641 480 G HN 0.145 nan 8.290 nan 0.000 0.530 481 K N 0.260 120.793 120.400 0.222 0.000 2.318 481 K HA 0.529 4.849 4.320 -0.000 0.000 0.249 481 K C 0.342 177.067 176.600 0.208 0.000 0.942 481 K CA -1.085 55.329 56.287 0.212 0.000 0.808 481 K CB 1.349 33.911 32.500 0.104 0.000 1.189 481 K HN 0.172 nan 8.250 nan 0.000 0.428 482 R N 1.018 121.562 120.500 0.072 0.000 2.570 482 R HA 0.203 4.543 4.340 -0.000 0.000 0.277 482 R C -0.585 175.661 176.300 -0.089 0.000 1.039 482 R CA 0.112 56.071 56.100 -0.235 0.000 1.065 482 R CB 0.356 30.453 30.300 -0.338 0.000 0.964 482 R HN 0.266 nan 8.270 nan 0.000 0.428 483 V N 4.045 123.938 119.914 -0.035 0.000 2.711 483 V HA 0.173 4.293 4.120 -0.000 0.000 0.304 483 V C -0.603 175.588 176.094 0.161 0.000 1.097 483 V CA -0.696 61.633 62.300 0.048 0.000 0.906 483 V CB 1.834 33.691 31.823 0.057 0.000 1.015 483 V HN 0.975 nan 8.190 nan 0.000 0.427 484 E N 0.000 120.255 120.200 0.091 0.000 2.725 484 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 484 E CA 0.000 56.481 56.400 0.135 0.000 0.976 484 E CB 0.000 29.835 29.700 0.225 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440