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 2ffl_1_C DATA FIRST_RESID 0 DATA SEQUENCE AMHALGHCCT VVTTRGPSHW LLLLDTHLGT LPGFKVSAGR GLPAAEVYFE DATA SEQUENCE AGPRVSLSRT DATIVAVYQS ILFQLLGPTF PASWTEIGAT MPHNEYTFPR DATA SEQUENCE FISNPPQFAT LAFLPLLSPT SPLDLRALMV TAQLMCDAKR LSDEXXXXXX DATA SEQUENCE LSASLHGRMV ATPEISWSLY VVLGIDSTQT SLSYFTRANE SITYMRYYAT DATA SEQUENCE AHNIHLRAAD LPLVAAVRLD DLKDHQIPAP XXXDDLAPKL RFLPPELCLL DATA SEQUENCE LPDEFDLIRV QALQFLPEIA KHICDIQNTI CALDKSFPDC GRIGGERYFA DATA SEQUENCE ITAGLRLDQG RGRGLAGWRT PFGPFGVSHT DVFQRLELLG DAVLGFIVTA DATA SEQUENCE RLLCLFPDAS VGTLVELKME LVRNEALNYL VQTLGLPQLA EFSXXXXXKS DATA SEQUENCE KTWADMYEEI VGSIFTGPNG IYGCEEFLAK TLMSPEHSKT XXXACPDAVT DATA SEQUENCE KASKRVCMGE AGAHEFRSLV DYACEQGISV FCSSRVSTMF LERLRDIPAE DATA SEQUENCE DMLDWYRLGI QFSHRSGLSX XXXXVSVIDI MTHLARGLWL GSPGFYVEQX DATA SEQUENCE XXXXXXXXPP TIPVLYIYHR SVQCPVLYGS LTXXXTGPVA SKVLALYEKI DATA SEQUENCE LAXXXSGGSK HIAAQTVSRS LAVPIPSGTI PFLIRLLQIA LTPHVYQKLE DATA SEQUENCE LLGDAFLKCS LALHLHALHP TLTEGALTRM RQSAETNSVL GRLTKRFPSV DATA SEQUENCE VSEVIIESHP KIQPDSKVYG DTFEAILAAI LLACGEEAAG AFVREHVLPQ DATA SEQUENCE VVADA 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.621 177.584 0.061 0.000 1.274 0 A CA 0.000 52.071 52.037 0.057 0.000 0.836 0 A CB 0.000 19.043 19.000 0.071 0.000 0.831 1 M N 0.808 120.441 119.600 0.056 0.000 2.446 1 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 1 M C 0.486 176.800 176.300 0.024 0.000 1.066 1 M CA 1.197 56.514 55.300 0.029 0.000 1.087 1 M CB -0.219 32.389 32.600 0.012 0.000 1.406 1 M HN 0.724 nan 8.290 nan 0.000 0.459 2 H N 1.586 120.648 119.070 -0.013 0.000 3.432 2 H HA 0.388 4.944 4.556 -0.000 0.000 0.252 2 H C -1.257 174.041 175.328 -0.049 0.000 1.397 2 H CA 0.690 56.719 56.048 -0.033 0.000 1.549 2 H CB -0.462 29.284 29.762 -0.027 0.000 1.699 2 H HN 0.410 nan 8.280 nan 0.000 0.523 3 A N 5.386 128.188 122.820 -0.031 0.000 2.532 3 A HA 0.442 4.762 4.320 -0.000 0.000 0.296 3 A C -1.657 175.877 177.584 -0.084 0.000 1.058 3 A CA -0.719 51.306 52.037 -0.019 0.000 0.729 3 A CB 1.004 20.006 19.000 0.003 0.000 1.285 3 A HN 0.431 nan 8.150 nan 0.000 0.396 4 L N 1.896 123.068 121.223 -0.084 0.000 2.322 4 L HA 0.702 5.042 4.340 -0.000 0.000 0.281 4 L C 0.996 177.789 176.870 -0.128 0.000 1.014 4 L CA -0.047 54.717 54.840 -0.126 0.000 0.815 4 L CB 2.018 43.990 42.059 -0.145 0.000 1.247 4 L HN 0.898 nan 8.230 nan 0.000 0.421 5 G N 0.784 109.476 108.800 -0.180 0.000 2.507 5 G HA2 0.480 4.440 3.960 -0.000 0.000 0.271 5 G HA3 0.480 4.440 3.960 -0.000 0.000 0.271 5 G C -0.774 173.926 174.900 -0.334 0.000 1.189 5 G CA -0.158 44.854 45.100 -0.147 0.000 0.859 5 G HN 0.594 nan 8.290 nan 0.000 0.542 6 H N -0.258 118.850 119.070 0.063 0.000 3.149 6 H HA 0.143 4.699 4.556 -0.000 0.000 0.334 6 H C -0.999 174.425 175.328 0.160 0.000 1.000 6 H CA -0.632 55.495 56.048 0.132 0.000 1.415 6 H CB 1.344 31.225 29.762 0.198 0.000 1.819 6 H HN 0.462 nan 8.280 nan 0.000 0.486 7 C N 3.472 122.910 119.300 0.230 0.000 2.573 7 C HA 0.081 4.541 4.460 -0.000 0.000 0.369 7 C C 1.295 176.397 174.990 0.188 0.000 1.205 7 C CA -0.150 58.971 59.018 0.171 0.000 1.535 7 C CB -1.547 26.247 27.740 0.090 0.000 2.159 7 C HN 0.624 nan 8.230 nan 0.000 0.558 8 C N 4.141 123.558 119.300 0.195 0.000 2.369 8 C HA 0.616 5.076 4.460 -0.000 0.000 0.358 8 C C 0.599 175.639 174.990 0.082 0.000 1.274 8 C CA 0.277 59.313 59.018 0.030 0.000 1.935 8 C CB -0.182 27.642 27.740 0.141 0.000 2.431 8 C HN 0.901 nan 8.230 nan 0.000 0.545 9 T N 4.950 119.462 114.554 -0.070 0.000 2.906 9 T HA 0.327 4.677 4.350 -0.000 0.000 0.302 9 T C -0.648 173.982 174.700 -0.117 0.000 1.002 9 T CA -0.301 61.813 62.100 0.024 0.000 0.988 9 T CB 1.087 70.052 68.868 0.162 0.000 0.972 9 T HN 0.447 nan 8.240 nan 0.000 0.447 10 V N 4.359 124.202 119.914 -0.118 0.000 2.385 10 V HA 0.423 4.543 4.120 -0.000 0.000 0.269 10 V C 0.035 176.026 176.094 -0.172 0.000 1.043 10 V CA -0.572 61.592 62.300 -0.228 0.000 0.906 10 V CB 1.175 32.889 31.823 -0.181 0.000 0.995 10 V HN 0.683 nan 8.190 nan 0.000 0.467 11 V N 4.974 124.763 119.914 -0.208 0.000 2.448 11 V HA 0.667 4.787 4.120 -0.000 0.000 0.295 11 V C 0.368 176.363 176.094 -0.165 0.000 1.025 11 V CA -0.288 61.942 62.300 -0.117 0.000 0.859 11 V CB 1.874 33.714 31.823 0.028 0.000 0.988 11 V HN 1.012 nan 8.190 nan 0.000 0.431 12 T N 0.134 114.628 114.554 -0.101 0.000 2.807 12 T HA 0.293 4.643 4.350 -0.000 0.000 0.277 12 T C 1.146 175.820 174.700 -0.042 0.000 1.006 12 T CA 0.132 62.185 62.100 -0.078 0.000 1.006 12 T CB 1.516 70.373 68.868 -0.018 0.000 1.274 12 T HN 0.418 nan 8.240 nan 0.000 0.569 13 T N 1.010 115.546 114.554 -0.029 0.000 2.720 13 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 13 T C 1.992 176.686 174.700 -0.011 0.000 1.037 13 T CA 1.970 64.058 62.100 -0.020 0.000 1.144 13 T CB -0.393 68.462 68.868 -0.022 0.000 0.864 13 T HN 0.757 nan 8.240 nan 0.000 0.444 14 R N 1.061 121.559 120.500 -0.005 0.000 2.200 14 R HA 0.398 4.738 4.340 -0.000 0.000 0.208 14 R C 1.113 177.411 176.300 -0.003 0.000 1.033 14 R CA 0.566 56.667 56.100 0.002 0.000 1.000 14 R CB 0.137 30.444 30.300 0.011 0.000 0.906 14 R HN 0.390 nan 8.270 nan 0.000 0.462 15 G N 0.675 109.467 108.800 -0.013 0.000 2.337 15 G HA2 0.170 4.130 3.960 -0.000 0.000 0.298 15 G HA3 0.170 4.130 3.960 -0.000 0.000 0.298 15 G C -3.281 171.588 174.900 -0.052 0.000 1.335 15 G CA -1.175 43.909 45.100 -0.025 0.000 0.875 15 G HN -0.029 nan 8.290 nan 0.000 0.579 16 P HA 0.553 nan 4.420 nan 0.000 0.297 16 P C -0.768 176.322 177.300 -0.351 0.000 1.319 16 P CA -0.458 62.529 63.100 -0.189 0.000 0.810 16 P CB 1.940 33.547 31.700 -0.155 0.000 0.947 17 S N 2.632 118.133 115.700 -0.331 0.000 2.478 17 S HA 0.429 4.899 4.470 -0.000 0.000 0.312 17 S C -0.720 173.684 174.600 -0.326 0.000 1.094 17 S CA -0.594 57.429 58.200 -0.296 0.000 1.081 17 S CB 0.108 63.340 63.200 0.053 0.000 1.007 17 S HN 0.338 nan 8.310 nan 0.000 0.475 18 H N 3.100 122.110 119.070 -0.099 0.000 2.459 18 H HA 0.398 4.954 4.556 -0.000 0.000 0.332 18 H C -1.235 173.953 175.328 -0.234 0.000 1.094 18 H CA -0.385 55.630 56.048 -0.057 0.000 1.224 18 H CB 0.822 30.538 29.762 -0.076 0.000 1.449 18 H HN 0.579 nan 8.280 nan 0.000 0.484 19 W N 2.309 123.671 121.300 0.104 0.000 2.883 19 W HA 0.283 4.943 4.660 -0.000 0.000 0.335 19 W C -0.618 175.974 176.519 0.121 0.000 1.083 19 W CA -0.808 56.603 57.345 0.111 0.000 1.233 19 W CB 1.375 30.920 29.460 0.141 0.000 1.412 19 W HN 0.333 nan 8.180 nan 0.000 0.490 20 L N 5.038 126.432 121.223 0.285 0.000 2.281 20 L HA 0.537 4.877 4.340 -0.000 0.000 0.285 20 L C -0.746 176.232 176.870 0.179 0.000 1.074 20 L CA -0.517 54.435 54.840 0.187 0.000 0.817 20 L CB 0.103 42.207 42.059 0.076 0.000 1.168 20 L HN 0.402 nan 8.230 nan 0.000 0.434 21 L N 6.637 127.954 121.223 0.156 0.000 2.272 21 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 21 L C -1.229 175.639 176.870 -0.004 0.000 1.032 21 L CA -0.069 54.755 54.840 -0.025 0.000 0.810 21 L CB 0.893 43.008 42.059 0.092 0.000 1.205 21 L HN 0.582 nan 8.230 nan 0.000 0.422 22 L N 6.929 128.074 121.223 -0.130 0.000 2.277 22 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 22 L C -0.566 176.267 176.870 -0.063 0.000 1.028 22 L CA -0.355 54.451 54.840 -0.056 0.000 0.835 22 L CB 0.887 42.919 42.059 -0.046 0.000 1.215 22 L HN 0.563 nan 8.230 nan 0.000 0.425 23 L N 3.012 124.244 121.223 0.013 0.000 2.325 23 L HA 0.282 4.622 4.340 -0.000 0.000 0.279 23 L C 0.933 177.811 176.870 0.013 0.000 1.054 23 L CA -0.514 54.329 54.840 0.006 0.000 0.804 23 L CB 1.641 43.725 42.059 0.042 0.000 1.200 23 L HN 0.602 nan 8.230 nan 0.000 0.436 24 D N -0.645 119.766 120.400 0.019 0.000 2.339 24 D HA 0.001 4.641 4.640 -0.000 0.000 0.217 24 D C 0.000 176.322 176.300 0.036 0.000 1.050 24 D CA 0.024 54.058 54.000 0.057 0.000 0.856 24 D CB 0.271 41.082 40.800 0.019 0.000 0.922 24 D HN 0.359 nan 8.370 nan 0.000 0.518 25 T N 0.435 114.983 114.554 -0.010 0.000 2.861 25 T HA 0.184 4.534 4.350 -0.000 0.000 0.287 25 T C -0.459 174.217 174.700 -0.041 0.000 1.003 25 T CA -0.667 61.420 62.100 -0.022 0.000 0.977 25 T CB 1.517 70.384 68.868 -0.001 0.000 0.996 25 T HN 0.074 nan 8.240 nan 0.000 0.448 26 H N 3.337 122.462 119.070 0.091 0.000 3.091 26 H HA 0.129 4.685 4.556 -0.000 0.000 0.289 26 H C 0.223 175.579 175.328 0.045 0.000 0.995 26 H CA 0.208 56.294 56.048 0.064 0.000 1.461 26 H CB 0.459 30.249 29.762 0.047 0.000 1.510 26 H HN 0.430 nan 8.280 nan 0.000 0.546 27 L N 2.924 124.236 121.223 0.148 0.000 3.366 27 L HA 0.178 4.518 4.340 -0.000 0.000 0.304 27 L C 1.519 178.441 176.870 0.086 0.000 1.292 27 L CA -0.078 54.805 54.840 0.071 0.000 1.012 27 L CB 0.525 42.569 42.059 -0.025 0.000 1.414 27 L HN 0.888 nan 8.230 nan 0.000 0.603 28 G N 1.614 110.493 108.800 0.132 0.000 2.652 28 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.318 28 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.318 28 G C 0.289 175.287 174.900 0.162 0.000 1.295 28 G CA 0.588 45.760 45.100 0.119 0.000 0.999 28 G HN 0.392 nan 8.290 nan 0.000 0.548 29 T N -0.459 114.162 114.554 0.110 0.000 2.837 29 T HA 0.671 5.021 4.350 -0.000 0.000 0.285 29 T C 0.330 175.034 174.700 0.006 0.000 0.984 29 T CA -0.711 61.454 62.100 0.109 0.000 1.049 29 T CB 1.611 70.532 68.868 0.087 0.000 0.947 29 T HN 0.671 nan 8.240 nan 0.000 0.472 30 L N 4.174 125.328 121.223 -0.114 0.000 2.312 30 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 30 L C -1.929 174.858 176.870 -0.139 0.000 1.070 30 L CA -2.367 52.288 54.840 -0.308 0.000 0.805 30 L CB 0.930 42.443 42.059 -0.911 0.000 1.174 30 L HN 0.493 nan 8.230 nan 0.000 0.434 31 P HA 0.113 nan 4.420 nan 0.000 0.281 31 P C 0.099 177.377 177.300 -0.037 0.000 1.286 31 P CA -0.197 62.877 63.100 -0.044 0.000 0.772 31 P CB 0.985 32.716 31.700 0.051 0.000 0.862 32 G N 3.767 112.426 108.800 -0.235 0.000 2.562 32 G HA2 0.319 4.279 3.960 -0.000 0.000 0.233 32 G HA3 0.319 4.279 3.960 -0.000 0.000 0.233 32 G C -0.478 173.771 174.900 -1.085 0.000 1.266 32 G CA -0.184 44.587 45.100 -0.548 0.000 0.852 32 G HN 0.559 nan 8.290 nan 0.000 0.581 33 F N -1.020 118.411 119.950 -0.865 0.000 2.629 33 F HA 0.807 5.334 4.527 -0.000 0.000 0.316 33 F C -0.440 175.341 175.800 -0.032 0.000 1.081 33 F CA -1.756 55.949 58.000 -0.492 0.000 0.954 33 F CB 1.865 40.599 39.000 -0.443 0.000 1.337 33 F HN 0.618 nan 8.300 nan 0.000 0.474 34 K N 1.572 122.127 120.400 0.258 0.000 2.397 34 K HA 0.721 5.041 4.320 -0.000 0.000 0.253 34 K C -1.307 175.390 176.600 0.161 0.000 0.932 34 K CA -1.002 55.322 56.287 0.062 0.000 0.795 34 K CB 2.350 34.877 32.500 0.046 0.000 1.159 34 K HN 0.801 nan 8.250 nan 0.000 0.424 35 V N -0.203 119.751 119.914 0.067 0.000 2.607 35 V HA 0.337 4.457 4.120 -0.000 0.000 0.289 35 V C 0.525 176.731 176.094 0.186 0.000 1.053 35 V CA -0.727 61.698 62.300 0.209 0.000 0.996 35 V CB 1.179 33.147 31.823 0.241 0.000 0.995 35 V HN 0.925 nan 8.190 nan 0.000 0.476 36 S N 3.826 119.712 115.700 0.309 0.000 2.624 36 S HA 0.609 5.079 4.470 -0.000 0.000 0.263 36 S C 0.664 175.454 174.600 0.316 0.000 1.287 36 S CA -0.062 58.316 58.200 0.296 0.000 0.990 36 S CB 0.825 64.221 63.200 0.326 0.000 0.950 36 S HN 2.109 nan 8.310 nan 0.000 0.561 37 A N 1.963 124.928 122.820 0.242 0.000 2.573 37 A HA 0.481 4.801 4.320 -0.000 0.000 0.250 37 A C 0.803 178.530 177.584 0.238 0.000 1.049 37 A CA 0.434 52.587 52.037 0.193 0.000 0.767 37 A CB -1.181 17.906 19.000 0.146 0.000 0.965 37 A HN 1.192 nan 8.150 nan 0.000 0.514 38 G N 1.399 110.256 108.800 0.094 0.000 2.667 38 G HA2 0.521 4.481 3.960 -0.000 0.000 0.310 38 G HA3 0.521 4.481 3.960 -0.000 0.000 0.310 38 G C -0.140 174.629 174.900 -0.220 0.000 1.259 38 G CA -1.131 43.895 45.100 -0.123 0.000 1.019 38 G HN 0.735 nan 8.290 nan 0.000 0.496 39 R N 0.244 120.460 120.500 -0.473 0.000 4.510 39 R HA 0.353 4.693 4.340 -0.000 0.000 0.170 39 R C 1.284 177.455 176.300 -0.215 0.000 1.906 39 R CA 0.830 56.725 56.100 -0.343 0.000 1.492 39 R CB -0.334 29.677 30.300 -0.481 0.000 1.383 39 R HN 1.055 nan 8.270 nan 0.000 0.823 40 G N -0.163 108.550 108.800 -0.144 0.000 2.194 40 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.236 40 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.236 40 G C -0.202 174.621 174.900 -0.129 0.000 0.987 40 G CA 0.019 45.049 45.100 -0.117 0.000 0.635 40 G HN 0.342 nan 8.290 nan 0.000 0.520 41 L N -1.531 119.602 121.223 -0.151 0.000 2.354 41 L HA 0.970 5.310 4.340 -0.000 0.000 0.264 41 L C -2.252 174.631 176.870 0.023 0.000 1.008 41 L CA -2.803 51.953 54.840 -0.140 0.000 0.819 41 L CB 1.200 43.005 42.059 -0.423 0.000 1.339 41 L HN -0.058 nan 8.230 nan 0.000 0.420 42 P HA 0.324 nan 4.420 nan 0.000 0.282 42 P C -0.827 176.599 177.300 0.211 0.000 1.287 42 P CA -0.500 62.679 63.100 0.131 0.000 0.792 42 P CB 0.687 32.438 31.700 0.085 0.000 1.163 43 A N -0.171 122.709 122.820 0.101 0.000 2.462 43 A HA 0.516 4.836 4.320 -0.000 0.000 0.243 43 A C 0.260 177.796 177.584 -0.079 0.000 1.076 43 A CA 0.410 52.476 52.037 0.049 0.000 0.773 43 A CB -0.926 18.093 19.000 0.031 0.000 1.010 43 A HN 0.730 nan 8.150 nan 0.000 0.493 44 A N 2.240 124.914 122.820 -0.242 0.000 2.593 44 A HA 0.780 5.100 4.320 -0.000 0.000 0.290 44 A C -1.169 176.148 177.584 -0.445 0.000 1.126 44 A CA -0.734 51.019 52.037 -0.474 0.000 0.695 44 A CB 1.175 19.513 19.000 -1.104 0.000 1.290 44 A HN 0.749 nan 8.150 nan 0.000 0.414 45 E N -0.307 119.605 120.200 -0.480 0.000 2.234 45 E HA 0.556 4.906 4.350 -0.000 0.000 0.266 45 E C -1.387 174.779 176.600 -0.724 0.000 0.877 45 E CA -0.586 55.494 56.400 -0.534 0.000 0.758 45 E CB 2.225 31.622 29.700 -0.506 0.000 1.170 45 E HN 0.344 nan 8.360 nan 0.000 0.415 46 V N 3.747 123.124 119.914 -0.895 0.000 2.357 46 V HA 0.364 4.484 4.120 -0.000 0.000 0.284 46 V C -1.073 174.495 176.094 -0.877 0.000 1.018 46 V CA -0.793 60.924 62.300 -0.971 0.000 0.841 46 V CB -0.072 30.944 31.823 -1.346 0.000 0.991 46 V HN 0.591 nan 8.190 nan 0.000 0.437 47 Y N 4.386 124.446 120.300 -0.401 0.000 2.387 47 Y HA 0.727 5.276 4.550 -0.000 0.000 0.330 47 Y C -0.136 175.501 175.900 -0.438 0.000 1.133 47 Y CA -0.744 57.220 58.100 -0.227 0.000 1.152 47 Y CB 1.324 39.751 38.460 -0.054 0.000 1.215 47 Y HN 0.488 nan 8.280 nan 0.000 0.466 48 F N 0.437 120.465 119.950 0.131 0.000 2.618 48 F HA 0.618 5.145 4.527 -0.000 0.000 0.332 48 F C -0.765 175.109 175.800 0.123 0.000 1.061 48 F CA -1.169 56.902 58.000 0.119 0.000 0.974 48 F CB 2.154 41.199 39.000 0.075 0.000 1.310 48 F HN 0.466 nan 8.300 nan 0.000 0.491 49 E N 0.387 120.801 120.200 0.356 0.000 2.683 49 E HA 0.533 4.883 4.350 -0.000 0.000 0.339 49 E C -1.670 175.053 176.600 0.204 0.000 0.921 49 E CA -1.001 55.535 56.400 0.226 0.000 0.786 49 E CB 0.802 30.570 29.700 0.114 0.000 1.363 49 E HN 0.737 nan 8.360 nan 0.000 0.401 50 A N 2.768 125.705 122.820 0.194 0.000 2.565 50 A HA 0.497 4.817 4.320 -0.000 0.000 0.237 50 A C 0.643 178.196 177.584 -0.052 0.000 1.053 50 A CA 1.012 53.047 52.037 -0.004 0.000 0.755 50 A CB 0.417 19.404 19.000 -0.021 0.000 0.980 50 A HN 0.788 nan 8.150 nan 0.000 0.506 51 G N 1.607 110.330 108.800 -0.127 0.000 3.135 51 G HA2 0.710 4.670 3.960 -0.000 0.000 0.159 51 G HA3 0.710 4.670 3.960 -0.000 0.000 0.159 51 G C -2.039 172.806 174.900 -0.091 0.000 1.244 51 G CA -0.536 44.517 45.100 -0.078 0.000 0.965 51 G HN 0.704 nan 8.290 nan 0.000 0.599 52 P HA 0.278 nan 4.420 nan 0.000 0.282 52 P C -0.918 176.334 177.300 -0.080 0.000 1.286 52 P CA -0.260 62.802 63.100 -0.064 0.000 0.777 52 P CB 0.672 32.342 31.700 -0.050 0.000 1.184 53 R N -0.173 120.287 120.500 -0.066 0.000 2.724 53 R HA 0.372 4.712 4.340 -0.000 0.000 0.284 53 R C -0.237 176.024 176.300 -0.065 0.000 1.481 53 R CA -0.738 55.316 56.100 -0.075 0.000 1.652 53 R CB 0.622 30.882 30.300 -0.067 0.000 1.175 53 R HN 0.206 nan 8.270 nan 0.000 0.613 54 V N 2.302 122.181 119.914 -0.059 0.000 2.843 54 V HA -0.051 4.069 4.120 -0.000 0.000 0.305 54 V C 0.383 176.455 176.094 -0.037 0.000 1.120 54 V CA 0.569 62.844 62.300 -0.042 0.000 1.254 54 V CB 1.007 32.809 31.823 -0.035 0.000 0.901 54 V HN 0.781 nan 8.190 nan 0.000 0.503 55 S N 7.493 123.177 115.700 -0.026 0.000 2.525 55 S HA 0.779 5.249 4.470 -0.000 0.000 0.290 55 S C -0.954 173.643 174.600 -0.005 0.000 1.152 55 S CA -0.831 57.359 58.200 -0.016 0.000 1.072 55 S CB 1.415 64.607 63.200 -0.014 0.000 1.027 55 S HN 0.723 nan 8.310 nan 0.000 0.500 56 L N 2.927 124.154 121.223 0.006 0.000 2.476 56 L HA 0.445 4.785 4.340 -0.000 0.000 0.269 56 L C 0.229 177.111 176.870 0.019 0.000 0.965 56 L CA -0.695 54.153 54.840 0.013 0.000 0.845 56 L CB 2.458 44.529 42.059 0.020 0.000 1.259 56 L HN 0.957 nan 8.230 nan 0.000 0.403 57 S N 1.736 117.446 115.700 0.017 0.000 2.584 57 S HA 0.200 4.670 4.470 -0.000 0.000 0.270 57 S C 1.116 175.732 174.600 0.026 0.000 1.346 57 S CA -0.405 57.806 58.200 0.020 0.000 1.018 57 S CB 1.340 64.550 63.200 0.016 0.000 0.899 57 S HN 0.798 nan 8.310 nan 0.000 0.542 58 R N 0.670 121.186 120.500 0.027 0.000 2.117 58 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 58 R C 1.833 178.153 176.300 0.033 0.000 1.143 58 R CA 2.178 58.296 56.100 0.030 0.000 0.968 58 R CB -1.242 29.074 30.300 0.027 0.000 0.863 58 R HN 0.842 nan 8.270 nan 0.000 0.444 59 T N 0.880 115.451 114.554 0.029 0.000 2.777 59 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 59 T C 1.121 175.842 174.700 0.035 0.000 1.040 59 T CA 1.415 63.534 62.100 0.031 0.000 1.141 59 T CB -0.332 68.551 68.868 0.025 0.000 0.868 59 T HN 0.323 nan 8.240 nan 0.000 0.444 60 D N 1.413 121.831 120.400 0.031 0.000 2.149 60 D HA -0.041 4.599 4.640 -0.000 0.000 0.198 60 D C 2.309 178.636 176.300 0.044 0.000 0.990 60 D CA 1.234 55.253 54.000 0.032 0.000 0.839 60 D CB -0.420 40.394 40.800 0.022 0.000 0.948 60 D HN 0.417 nan 8.370 nan 0.000 0.460 61 A N 0.308 123.156 122.820 0.046 0.000 1.930 61 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 61 A C 2.307 179.934 177.584 0.072 0.000 1.175 61 A CA 2.342 54.413 52.037 0.057 0.000 0.627 61 A CB -0.795 18.236 19.000 0.052 0.000 0.815 61 A HN 0.391 nan 8.150 nan 0.000 0.443 62 T N -2.184 112.409 114.554 0.065 0.000 3.043 62 T HA 0.103 4.453 4.350 -0.000 0.000 0.263 62 T C 1.730 176.481 174.700 0.085 0.000 1.094 62 T CA 1.038 63.182 62.100 0.072 0.000 1.127 62 T CB -0.439 68.464 68.868 0.057 0.000 0.905 62 T HN 0.327 nan 8.240 nan 0.000 0.490 63 I N 1.095 121.712 120.570 0.078 0.000 2.394 63 I HA -0.088 4.082 4.170 -0.000 0.000 0.251 63 I C 2.515 178.706 176.117 0.123 0.000 1.136 63 I CA 0.608 61.962 61.300 0.089 0.000 1.425 63 I CB -0.263 37.775 38.000 0.064 0.000 1.079 63 I HN 0.125 nan 8.210 nan 0.000 0.425 64 V N 0.974 120.959 119.914 0.118 0.000 2.358 64 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 64 V C 2.712 178.933 176.094 0.211 0.000 1.047 64 V CA 1.900 64.294 62.300 0.156 0.000 1.035 64 V CB -0.922 30.973 31.823 0.121 0.000 0.658 64 V HN 0.482 nan 8.190 nan 0.000 0.452 65 A N -0.247 122.678 122.820 0.175 0.000 2.019 65 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 65 A C 2.369 180.062 177.584 0.180 0.000 1.164 65 A CA 1.913 54.061 52.037 0.186 0.000 0.644 65 A CB -0.566 18.518 19.000 0.141 0.000 0.805 65 A HN 0.347 nan 8.150 nan 0.000 0.449 66 V N -1.667 118.345 119.914 0.164 0.000 2.261 66 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 66 V C 2.307 178.505 176.094 0.174 0.000 1.047 66 V CA 2.074 64.463 62.300 0.147 0.000 1.015 66 V CB -1.047 30.859 31.823 0.139 0.000 0.642 66 V HN 0.697 nan 8.190 nan 0.000 0.446 67 Y N 0.662 121.033 120.300 0.120 0.000 2.256 67 Y HA -0.291 4.259 4.550 -0.000 0.000 0.288 67 Y C 2.600 178.591 175.900 0.150 0.000 1.155 67 Y CA 1.895 60.082 58.100 0.145 0.000 1.203 67 Y CB -0.167 38.383 38.460 0.149 0.000 0.980 67 Y HN 0.248 nan 8.280 nan 0.000 0.530 68 Q N -0.020 119.894 119.800 0.190 0.000 2.020 68 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 68 Q C 2.684 178.619 176.000 -0.109 0.000 0.982 68 Q CA 2.421 58.275 55.803 0.085 0.000 0.838 68 Q CB -0.799 28.121 28.738 0.304 0.000 0.899 68 Q HN 0.584 nan 8.270 nan 0.000 0.423 69 S N -0.036 115.734 115.700 0.117 0.000 2.399 69 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 69 S C 1.844 176.407 174.600 -0.062 0.000 1.022 69 S CA 1.034 59.326 58.200 0.155 0.000 0.983 69 S CB -0.413 62.846 63.200 0.098 0.000 0.803 69 S HN 0.247 nan 8.310 nan 0.000 0.480 70 I N 2.158 122.635 120.570 -0.155 0.000 2.208 70 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 70 I C 2.485 178.395 176.117 -0.345 0.000 1.097 70 I CA 1.057 62.198 61.300 -0.264 0.000 1.363 70 I CB -1.524 36.319 38.000 -0.262 0.000 1.051 70 I HN 0.329 nan 8.210 nan 0.000 0.413 71 L N -0.116 120.883 121.223 -0.373 0.000 1.976 71 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 71 L C 2.727 179.399 176.870 -0.329 0.000 1.071 71 L CA 1.583 56.231 54.840 -0.319 0.000 0.746 71 L CB -0.836 41.075 42.059 -0.247 0.000 0.890 71 L HN 0.056 nan 8.230 nan 0.000 0.432 72 F N -0.067 119.733 119.950 -0.251 0.000 2.115 72 F HA -0.360 4.167 4.527 -0.000 0.000 0.300 72 F C 2.858 178.479 175.800 -0.299 0.000 1.092 72 F CA 1.598 59.407 58.000 -0.318 0.000 1.245 72 F CB -0.382 38.413 39.000 -0.342 0.000 0.995 72 F HN 0.188 nan 8.300 nan 0.000 0.481 73 Q N 0.543 120.207 119.800 -0.227 0.000 2.079 73 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 73 Q C 2.220 177.919 176.000 -0.503 0.000 0.974 73 Q CA 1.208 56.693 55.803 -0.530 0.000 0.840 73 Q CB -0.180 28.013 28.738 -0.908 0.000 0.898 73 Q HN 0.456 nan 8.270 nan 0.000 0.430 74 L N 0.246 121.243 121.223 -0.376 0.000 2.127 74 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 74 L C 2.220 179.060 176.870 -0.050 0.000 1.089 74 L CA 0.838 55.572 54.840 -0.177 0.000 0.757 74 L CB -0.285 41.660 42.059 -0.191 0.000 0.899 74 L HN 0.310 nan 8.230 nan 0.000 0.434 75 L N -0.876 120.320 121.223 -0.044 0.000 2.141 75 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 75 L C 1.208 178.202 176.870 0.207 0.000 1.094 75 L CA 0.710 55.602 54.840 0.086 0.000 0.763 75 L CB -0.629 41.466 42.059 0.060 0.000 0.908 75 L HN 0.501 nan 8.230 nan 0.000 0.437 76 G N -0.968 107.884 108.800 0.086 0.000 2.566 76 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.599 76 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.599 76 G C -2.484 172.420 174.900 0.006 0.000 1.292 76 G CA -0.295 44.839 45.100 0.056 0.000 0.922 76 G HN -0.049 nan 8.290 nan 0.000 0.514 77 P HA 0.132 nan 4.420 nan 0.000 0.255 77 P C 1.602 178.818 177.300 -0.140 0.000 1.248 77 P CA 1.677 64.738 63.100 -0.066 0.000 0.807 77 P CB 0.110 31.794 31.700 -0.027 0.000 1.150 78 T N -3.227 111.167 114.554 -0.267 0.000 2.985 78 T HA 0.044 4.394 4.350 -0.000 0.000 0.266 78 T C 0.388 174.768 174.700 -0.532 0.000 1.076 78 T CA 0.564 62.391 62.100 -0.456 0.000 1.135 78 T CB -0.682 67.785 68.868 -0.668 0.000 0.890 78 T HN -0.097 nan 8.240 nan 0.000 0.480 79 F N 3.224 123.124 119.950 -0.085 0.000 2.420 79 F HA 0.512 5.039 4.527 -0.000 0.000 0.342 79 F C -2.194 173.503 175.800 -0.171 0.000 1.113 79 F CA -3.297 54.640 58.000 -0.105 0.000 1.059 79 F CB 0.495 39.443 39.000 -0.086 0.000 1.128 79 F HN -0.141 nan 8.300 nan 0.000 0.475 80 P HA 0.139 nan 4.420 nan 0.000 0.272 80 P C -0.709 176.321 177.300 -0.451 0.000 1.223 80 P CA -0.411 62.571 63.100 -0.197 0.000 0.784 80 P CB 0.873 32.472 31.700 -0.167 0.000 0.923 81 A N 1.396 123.830 122.820 -0.644 0.000 3.037 81 A HA 0.427 4.747 4.320 -0.000 0.000 0.272 81 A C 0.394 177.101 177.584 -1.461 0.000 1.723 81 A CA 0.120 51.305 52.037 -1.420 0.000 1.413 81 A CB -1.223 17.240 19.000 -0.896 0.000 1.112 81 A HN 0.501 nan 8.150 nan 0.000 0.606 82 S N 0.090 115.003 115.700 -1.312 0.000 2.582 82 S HA 0.265 4.735 4.470 -0.000 0.000 0.296 82 S C 0.033 174.500 174.600 -0.222 0.000 1.118 82 S CA -0.680 57.164 58.200 -0.593 0.000 0.947 82 S CB -0.023 63.003 63.200 -0.290 0.000 1.131 82 S HN 0.539 nan 8.310 nan 0.000 0.453 83 W N 2.876 124.355 121.300 0.297 0.000 2.338 83 W HA -0.101 4.559 4.660 -0.000 0.000 0.304 83 W C 2.490 179.081 176.519 0.119 0.000 1.212 83 W CA 1.614 59.123 57.345 0.274 0.000 1.264 83 W CB -0.688 28.955 29.460 0.305 0.000 1.142 83 W HN 0.676 nan 8.180 nan 0.000 0.512 84 T N 0.034 114.761 114.554 0.287 0.000 2.635 84 T HA -0.306 4.044 4.350 -0.000 0.000 0.267 84 T C 1.509 176.218 174.700 0.015 0.000 1.040 84 T CA 1.852 64.031 62.100 0.131 0.000 1.156 84 T CB -0.455 68.462 68.868 0.082 0.000 0.863 84 T HN 0.247 nan 8.240 nan 0.000 0.430 85 E N 0.066 120.244 120.200 -0.036 0.000 2.204 85 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 85 E C 2.180 178.760 176.600 -0.035 0.000 0.989 85 E CA 0.544 56.891 56.400 -0.089 0.000 0.824 85 E CB -0.171 29.454 29.700 -0.124 0.000 0.756 85 E HN 0.508 nan 8.360 nan 0.000 0.477 86 I N 0.197 120.782 120.570 0.026 0.000 2.142 86 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 86 I C 2.500 178.667 176.117 0.083 0.000 1.078 86 I CA 1.449 62.800 61.300 0.086 0.000 1.343 86 I CB -0.410 37.678 38.000 0.148 0.000 1.046 86 I HN 0.163 nan 8.210 nan 0.000 0.405 87 G N 0.012 108.862 108.800 0.083 0.000 2.403 87 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 87 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 87 G C 1.676 176.596 174.900 0.032 0.000 1.154 87 G CA 0.571 45.696 45.100 0.041 0.000 0.784 87 G HN 0.480 nan 8.290 nan 0.000 0.538 88 A N 0.496 123.304 122.820 -0.019 0.000 2.248 88 A HA 0.251 4.571 4.320 -0.000 0.000 0.210 88 A C 1.937 179.508 177.584 -0.022 0.000 1.174 88 A CA 1.898 53.872 52.037 -0.104 0.000 0.750 88 A CB -0.494 18.238 19.000 -0.447 0.000 0.780 88 A HN 0.531 nan 8.150 nan 0.000 0.478 89 T N -4.015 110.559 114.554 0.034 0.000 3.337 89 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 89 T C 0.277 175.047 174.700 0.117 0.000 0.998 89 T CA -0.447 61.692 62.100 0.065 0.000 0.948 89 T CB -0.641 68.241 68.868 0.024 0.000 1.170 89 T HN 0.225 nan 8.240 nan 0.000 0.508 90 M N 3.553 123.240 119.600 0.145 0.000 2.245 90 M HA 0.221 4.701 4.480 -0.000 0.000 0.335 90 M C -1.950 174.509 176.300 0.265 0.000 1.155 90 M CA -1.186 54.210 55.300 0.160 0.000 1.055 90 M CB -0.033 32.593 32.600 0.043 0.000 1.670 90 M HN 0.075 nan 8.290 nan 0.000 0.447 91 P HA -0.010 nan 4.420 nan 0.000 0.271 91 P C -0.048 177.485 177.300 0.388 0.000 1.216 91 P CA 0.250 63.494 63.100 0.240 0.000 0.776 91 P CB 0.324 32.121 31.700 0.161 0.000 0.881 92 H N 2.155 121.337 119.070 0.187 0.000 2.325 92 H HA -0.189 4.367 4.556 -0.000 0.000 0.293 92 H C 1.577 177.051 175.328 0.243 0.000 1.106 92 H CA 1.632 57.780 56.048 0.168 0.000 1.247 92 H CB -0.071 29.708 29.762 0.028 0.000 1.359 92 H HN 0.587 nan 8.280 nan 0.000 0.488 93 N N 1.451 120.321 118.700 0.283 0.000 2.617 93 N HA -0.104 4.636 4.740 -0.000 0.000 0.198 93 N C 0.549 176.151 175.510 0.154 0.000 1.317 93 N CA 0.623 53.778 53.050 0.174 0.000 0.892 93 N CB -0.048 38.501 38.487 0.103 0.000 1.041 93 N HN 0.589 nan 8.380 nan 0.000 0.450 94 E N -0.688 119.643 120.200 0.219 0.000 2.511 94 E HA 0.079 4.429 4.350 -0.000 0.000 0.209 94 E C -0.455 176.173 176.600 0.046 0.000 0.986 94 E CA -0.290 56.179 56.400 0.116 0.000 0.974 94 E CB 0.269 30.027 29.700 0.097 0.000 1.030 94 E HN 0.300 nan 8.360 nan 0.000 0.490 95 Y N 0.478 120.803 120.300 0.042 0.000 2.298 95 Y HA 0.019 4.569 4.550 -0.000 0.000 0.329 95 Y C 1.990 177.893 175.900 0.006 0.000 1.293 95 Y CA 0.359 58.481 58.100 0.036 0.000 1.388 95 Y CB 0.702 39.194 38.460 0.053 0.000 1.309 95 Y HN -0.210 nan 8.280 nan 0.000 0.544 96 T N 0.546 115.206 114.554 0.176 0.000 2.942 96 T HA -0.008 4.342 4.350 -0.000 0.000 0.265 96 T C -0.096 174.379 174.700 -0.374 0.000 1.062 96 T CA 1.083 63.131 62.100 -0.086 0.000 1.139 96 T CB -0.257 68.621 68.868 0.017 0.000 0.883 96 T HN 0.297 nan 8.240 nan 0.000 0.468 97 F N 1.708 121.770 119.950 0.187 0.000 2.449 97 F HA 0.333 4.860 4.527 -0.000 0.000 0.344 97 F C -1.795 174.081 175.800 0.126 0.000 1.180 97 F CA -2.537 55.569 58.000 0.178 0.000 1.209 97 F CB 1.452 40.583 39.000 0.218 0.000 1.440 97 F HN -0.067 nan 8.300 nan 0.000 0.526 98 P HA -0.155 nan 4.420 nan 0.000 0.221 98 P C 1.129 178.408 177.300 -0.035 0.000 1.145 98 P CA 1.260 64.394 63.100 0.057 0.000 0.795 98 P CB 0.229 31.974 31.700 0.075 0.000 0.775 99 R N -1.607 118.871 120.500 -0.037 0.000 2.275 99 R HA 0.125 4.465 4.340 -0.000 0.000 0.199 99 R C 0.223 176.180 176.300 -0.571 0.000 0.989 99 R CA 0.470 56.390 56.100 -0.301 0.000 1.016 99 R CB -0.141 29.922 30.300 -0.394 0.000 0.918 99 R HN 0.213 nan 8.270 nan 0.000 0.473 100 F N 1.157 121.102 119.950 -0.008 0.000 2.564 100 F HA 0.357 4.884 4.527 -0.000 0.000 0.361 100 F C -0.409 175.314 175.800 -0.130 0.000 1.161 100 F CA -0.872 57.095 58.000 -0.056 0.000 1.198 100 F CB 1.006 39.974 39.000 -0.053 0.000 1.424 100 F HN -0.224 nan 8.300 nan 0.000 0.517 101 I N 1.867 122.357 120.570 -0.133 0.000 2.306 101 I HA 0.267 4.437 4.170 -0.000 0.000 0.288 101 I C -0.004 176.024 176.117 -0.149 0.000 1.036 101 I CA -0.171 60.946 61.300 -0.306 0.000 1.221 101 I CB 0.841 38.434 38.000 -0.679 0.000 1.385 101 I HN 0.272 nan 8.210 nan 0.000 0.472 102 S N 5.877 121.533 115.700 -0.075 0.000 2.442 102 S HA 0.359 4.829 4.470 -0.000 0.000 0.297 102 S C 0.146 174.737 174.600 -0.015 0.000 1.131 102 S CA -0.788 57.394 58.200 -0.031 0.000 1.092 102 S CB 0.832 64.021 63.200 -0.018 0.000 0.998 102 S HN 0.442 nan 8.310 nan 0.000 0.478 103 N N 4.979 123.686 118.700 0.012 0.000 2.402 103 N HA 0.224 4.964 4.740 -0.000 0.000 0.259 103 N C -2.329 173.141 175.510 -0.066 0.000 1.167 103 N CA -1.248 51.843 53.050 0.068 0.000 0.949 103 N CB -0.053 38.514 38.487 0.133 0.000 1.212 103 N HN 0.400 nan 8.380 nan 0.000 0.493 104 P HA 0.133 nan 4.420 nan 0.000 0.271 104 P C -1.599 175.426 177.300 -0.457 0.000 1.218 104 P CA -0.989 61.876 63.100 -0.391 0.000 0.780 104 P CB 0.666 32.043 31.700 -0.538 0.000 0.901 105 P HA -0.144 nan 4.420 nan 0.000 0.214 105 P C 0.346 177.510 177.300 -0.227 0.000 1.163 105 P CA 1.529 64.527 63.100 -0.170 0.000 0.883 105 P CB 0.263 31.901 31.700 -0.103 0.000 0.788 106 Q N -1.087 118.538 119.800 -0.292 0.000 2.214 106 Q HA 0.510 4.850 4.340 -0.000 0.000 0.251 106 Q C -0.833 174.884 176.000 -0.473 0.000 0.936 106 Q CA -0.529 55.137 55.803 -0.228 0.000 0.894 106 Q CB 1.102 29.770 28.738 -0.115 0.000 1.252 106 Q HN 0.026 nan 8.270 nan 0.000 0.448 107 F N 0.258 120.212 119.950 0.007 0.000 2.520 107 F HA 0.485 5.011 4.527 -0.000 0.000 0.322 107 F C 0.156 175.960 175.800 0.007 0.000 1.103 107 F CA -1.004 57.003 58.000 0.013 0.000 0.926 107 F CB 1.465 40.482 39.000 0.027 0.000 1.154 107 F HN 0.559 nan 8.300 nan 0.000 0.453 108 A N 1.641 124.559 122.820 0.163 0.000 2.531 108 A HA 0.446 4.766 4.320 -0.000 0.000 0.236 108 A C -0.029 177.623 177.584 0.113 0.000 1.062 108 A CA 0.095 52.184 52.037 0.085 0.000 0.760 108 A CB -0.214 18.805 19.000 0.031 0.000 0.995 108 A HN 0.708 nan 8.150 nan 0.000 0.501 109 T N 3.390 117.990 114.554 0.076 0.000 2.758 109 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 109 T C -0.087 174.639 174.700 0.043 0.000 0.981 109 T CA -0.181 61.973 62.100 0.090 0.000 0.965 109 T CB 0.285 69.201 68.868 0.080 0.000 0.927 109 T HN 0.596 nan 8.240 nan 0.000 0.448 110 L N 0.683 121.934 121.223 0.047 0.000 2.301 110 L HA 1.088 5.428 4.340 -0.000 0.000 0.264 110 L C -0.547 176.220 176.870 -0.172 0.000 1.016 110 L CA -1.545 53.204 54.840 -0.151 0.000 0.821 110 L CB 1.796 43.652 42.059 -0.338 0.000 1.346 110 L HN 0.648 nan 8.230 nan 0.000 0.429 111 A N 0.606 123.159 122.820 -0.445 0.000 2.547 111 A HA 0.829 5.149 4.320 -0.000 0.000 0.297 111 A C -1.729 175.503 177.584 -0.586 0.000 1.056 111 A CA -0.320 51.537 52.037 -0.300 0.000 0.688 111 A CB 1.308 20.311 19.000 0.006 0.000 1.282 111 A HN 0.529 nan 8.150 nan 0.000 0.400 112 F N 1.434 121.371 119.950 -0.021 0.000 2.449 112 F HA 0.681 5.208 4.527 -0.000 0.000 0.342 112 F C -0.099 175.932 175.800 0.385 0.000 1.127 112 F CA -0.439 57.631 58.000 0.118 0.000 0.975 112 F CB 1.802 40.745 39.000 -0.094 0.000 1.146 112 F HN 0.389 nan 8.300 nan 0.000 0.444 113 L N 4.550 126.036 121.223 0.440 0.000 2.370 113 L HA 0.624 4.964 4.340 -0.000 0.000 0.266 113 L C -2.585 174.296 176.870 0.018 0.000 1.002 113 L CA -2.361 52.564 54.840 0.143 0.000 0.818 113 L CB 2.382 44.431 42.059 -0.017 0.000 1.325 113 L HN 0.302 nan 8.230 nan 0.000 0.418 114 P HA 0.344 nan 4.420 nan 0.000 0.274 114 P C -1.184 175.920 177.300 -0.327 0.000 1.231 114 P CA -0.172 62.623 63.100 -0.509 0.000 0.790 114 P CB 0.730 32.094 31.700 -0.559 0.000 0.951 115 L N 1.886 122.919 121.223 -0.317 0.000 2.431 115 L HA 0.342 4.682 4.340 -0.000 0.000 0.266 115 L C 1.378 178.158 176.870 -0.149 0.000 0.978 115 L CA -0.726 54.008 54.840 -0.177 0.000 0.822 115 L CB 2.006 44.013 42.059 -0.087 0.000 1.310 115 L HN 0.301 nan 8.230 nan 0.000 0.409 116 L N 0.793 121.938 121.223 -0.130 0.000 2.007 116 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 116 L C 1.097 177.933 176.870 -0.056 0.000 1.073 116 L CA 1.149 55.932 54.840 -0.096 0.000 0.744 116 L CB -0.276 41.725 42.059 -0.097 0.000 0.898 116 L HN 0.761 nan 8.230 nan 0.000 0.435 117 S N -1.933 113.692 115.700 -0.125 0.000 2.638 117 S HA 0.412 4.882 4.470 -0.000 0.000 0.302 117 S C -2.083 172.303 174.600 -0.356 0.000 1.096 117 S CA -1.359 56.694 58.200 -0.245 0.000 0.953 117 S CB 1.646 64.743 63.200 -0.172 0.000 1.107 117 S HN -0.123 nan 8.310 nan 0.000 0.503 118 P HA -0.035 nan 4.420 nan 0.000 0.226 118 P C 1.366 178.552 177.300 -0.190 0.000 1.153 118 P CA 1.361 64.239 63.100 -0.371 0.000 0.777 118 P CB -0.507 30.964 31.700 -0.381 0.000 0.794 119 T N -3.208 111.242 114.554 -0.173 0.000 2.978 119 T HA 0.003 4.353 4.350 -0.000 0.000 0.262 119 T C 1.185 175.829 174.700 -0.094 0.000 1.063 119 T CA 0.269 62.301 62.100 -0.113 0.000 1.140 119 T CB -0.966 67.843 68.868 -0.099 0.000 0.886 119 T HN 0.213 nan 8.240 nan 0.000 0.470 120 S N 3.708 119.346 115.700 -0.103 0.000 2.549 120 S HA 0.358 4.828 4.470 -0.000 0.000 0.283 120 S C -1.999 172.554 174.600 -0.078 0.000 1.320 120 S CA -1.245 56.904 58.200 -0.085 0.000 1.058 120 S CB 0.166 63.311 63.200 -0.090 0.000 0.882 120 S HN 0.341 nan 8.310 nan 0.000 0.498 121 P HA 0.206 nan 4.420 nan 0.000 0.275 121 P C -0.376 176.885 177.300 -0.065 0.000 1.266 121 P CA -0.817 62.248 63.100 -0.059 0.000 0.793 121 P CB 0.287 31.957 31.700 -0.050 0.000 1.074 122 L N 1.009 122.197 121.223 -0.058 0.000 2.418 122 L HA 0.229 4.569 4.340 -0.000 0.000 0.274 122 L C -0.123 176.708 176.870 -0.065 0.000 1.135 122 L CA 0.483 55.285 54.840 -0.065 0.000 0.870 122 L CB -0.769 41.259 42.059 -0.052 0.000 1.154 122 L HN 0.202 nan 8.230 nan 0.000 0.462 123 D N 4.580 124.931 120.400 -0.082 0.000 2.373 123 D HA 0.168 4.808 4.640 -0.000 0.000 0.227 123 D C 0.813 177.067 176.300 -0.077 0.000 1.091 123 D CA -0.146 53.809 54.000 -0.074 0.000 0.840 123 D CB 1.242 41.995 40.800 -0.079 0.000 1.060 123 D HN 0.692 nan 8.370 nan 0.000 0.502 124 L N 3.414 124.607 121.223 -0.051 0.000 2.131 124 L HA 0.067 4.407 4.340 -0.000 0.000 0.206 124 L C 2.562 179.414 176.870 -0.028 0.000 1.087 124 L CA 0.364 55.181 54.840 -0.039 0.000 0.767 124 L CB -0.080 41.968 42.059 -0.018 0.000 0.917 124 L HN 0.355 nan 8.230 nan 0.000 0.441 125 R N 0.317 120.803 120.500 -0.025 0.000 2.127 125 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 125 R C 2.221 178.508 176.300 -0.021 0.000 1.134 125 R CA 1.366 57.457 56.100 -0.015 0.000 0.975 125 R CB -0.191 30.101 30.300 -0.014 0.000 0.865 125 R HN 0.365 nan 8.270 nan 0.000 0.447 126 A N 1.393 124.186 122.820 -0.045 0.000 1.883 126 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 126 A C 2.238 179.786 177.584 -0.061 0.000 1.186 126 A CA 1.251 53.250 52.037 -0.063 0.000 0.624 126 A CB -0.633 18.306 19.000 -0.102 0.000 0.822 126 A HN 0.324 nan 8.150 nan 0.000 0.444 127 L N -1.192 119.981 121.223 -0.083 0.000 1.990 127 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 127 L C 2.920 179.825 176.870 0.059 0.000 1.072 127 L CA 1.683 56.490 54.840 -0.055 0.000 0.755 127 L CB -0.577 41.449 42.059 -0.055 0.000 0.889 127 L HN 0.379 nan 8.230 nan 0.000 0.432 128 M N -0.862 118.765 119.600 0.044 0.000 2.149 128 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 128 M C 2.346 178.685 176.300 0.065 0.000 1.064 128 M CA 1.447 56.784 55.300 0.062 0.000 1.102 128 M CB -1.086 31.539 32.600 0.041 0.000 1.369 128 M HN 0.118 nan 8.290 nan 0.000 0.408 129 V N 0.212 120.154 119.914 0.046 0.000 2.295 129 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 129 V C 2.385 178.527 176.094 0.079 0.000 1.049 129 V CA 2.251 64.579 62.300 0.047 0.000 1.024 129 V CB -1.257 30.580 31.823 0.022 0.000 0.648 129 V HN 0.483 nan 8.190 nan 0.000 0.447 130 T N 0.429 115.044 114.554 0.102 0.000 2.821 130 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 130 T C 2.023 176.858 174.700 0.226 0.000 1.046 130 T CA 1.455 63.661 62.100 0.176 0.000 1.139 130 T CB -0.433 68.563 68.868 0.213 0.000 0.871 130 T HN 0.559 nan 8.240 nan 0.000 0.454 131 A N 1.357 124.302 122.820 0.207 0.000 2.015 131 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 131 A C 2.321 179.979 177.584 0.124 0.000 1.163 131 A CA 1.089 53.230 52.037 0.174 0.000 0.646 131 A CB -0.471 18.625 19.000 0.160 0.000 0.806 131 A HN 0.507 nan 8.150 nan 0.000 0.448 132 Q N -0.523 119.341 119.800 0.107 0.000 2.137 132 Q HA 0.020 4.360 4.340 -0.000 0.000 0.198 132 Q C 2.043 178.095 176.000 0.088 0.000 0.960 132 Q CA 0.939 56.792 55.803 0.083 0.000 0.847 132 Q CB -0.234 28.544 28.738 0.066 0.000 0.915 132 Q HN 0.661 nan 8.270 nan 0.000 0.448 133 L N 0.068 121.354 121.223 0.106 0.000 2.083 133 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 133 L C 2.503 179.446 176.870 0.122 0.000 1.083 133 L CA 0.771 55.678 54.840 0.111 0.000 0.752 133 L CB -0.381 41.756 42.059 0.130 0.000 0.899 133 L HN 0.339 nan 8.230 nan 0.000 0.433 134 M N -1.083 118.602 119.600 0.143 0.000 2.117 134 M HA -0.246 4.234 4.480 -0.000 0.000 0.262 134 M C 2.508 178.867 176.300 0.098 0.000 1.065 134 M CA 1.470 56.842 55.300 0.119 0.000 1.114 134 M CB -1.275 31.388 32.600 0.104 0.000 1.361 134 M HN 0.405 nan 8.290 nan 0.000 0.408 135 C N 0.841 120.195 119.300 0.089 0.000 2.440 135 C HA -0.159 4.301 4.460 -0.000 0.000 0.278 135 C C 2.236 177.264 174.990 0.063 0.000 1.295 135 C CA 1.014 60.077 59.018 0.074 0.000 1.738 135 C CB -0.907 26.873 27.740 0.066 0.000 1.987 135 C HN 0.487 nan 8.230 nan 0.000 0.492 136 D N 0.539 120.976 120.400 0.063 0.000 2.249 136 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 136 D C 1.084 177.411 176.300 0.046 0.000 0.962 136 D CA 0.672 54.702 54.000 0.050 0.000 0.860 136 D CB -0.338 40.491 40.800 0.048 0.000 0.955 136 D HN 0.489 nan 8.370 nan 0.000 0.505 137 A N 1.769 124.624 122.820 0.059 0.000 2.540 137 A HA -0.032 4.288 4.320 -0.000 0.000 0.264 137 A C 0.542 178.142 177.584 0.027 0.000 1.080 137 A CA 0.595 52.663 52.037 0.052 0.000 0.776 137 A CB -0.155 18.887 19.000 0.070 0.000 1.011 137 A HN -0.004 nan 8.150 nan 0.000 0.514 138 K N 1.573 121.980 120.400 0.012 0.000 2.132 138 K HA 0.453 4.773 4.320 -0.000 0.000 0.241 138 K C 0.283 176.866 176.600 -0.029 0.000 1.000 138 K CA -0.929 55.353 56.287 -0.008 0.000 0.911 138 K CB 0.713 33.209 32.500 -0.006 0.000 1.093 138 K HN 0.664 nan 8.250 nan 0.000 0.460 139 R N 0.799 121.270 120.500 -0.048 0.000 2.774 139 R HA 0.055 4.395 4.340 -0.000 0.000 0.269 139 R C 1.256 177.522 176.300 -0.056 0.000 1.068 139 R CA 0.324 56.382 56.100 -0.070 0.000 1.180 139 R CB 0.005 30.253 30.300 -0.088 0.000 1.077 139 R HN 0.543 nan 8.270 nan 0.000 0.513 140 L N 0.552 121.735 121.223 -0.067 0.000 2.201 140 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 140 L C 2.091 178.931 176.870 -0.051 0.000 1.105 140 L CA 1.463 56.271 54.840 -0.054 0.000 0.775 140 L CB -0.473 41.548 42.059 -0.063 0.000 0.913 140 L HN 0.802 nan 8.230 nan 0.000 0.440 141 S N -0.403 115.260 115.700 -0.062 0.000 2.365 141 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 141 S C 1.551 176.128 174.600 -0.038 0.000 1.039 141 S CA 1.581 59.748 58.200 -0.054 0.000 1.033 141 S CB -0.548 62.615 63.200 -0.062 0.000 0.887 141 S HN 0.403 nan 8.310 nan 0.000 0.447 142 D N 2.081 122.460 120.400 -0.035 0.000 2.104 142 D HA -0.005 4.635 4.640 -0.000 0.000 0.194 142 D C 1.131 177.420 176.300 -0.018 0.000 0.994 142 D CA 1.154 55.140 54.000 -0.024 0.000 0.830 142 D CB -0.309 40.479 40.800 -0.020 0.000 0.959 142 D HN 0.677 nan 8.370 nan 0.000 0.452 151 S N 0.336 116.049 115.700 0.023 0.000 2.547 151 S HA 0.099 4.569 4.470 -0.000 0.000 0.235 151 S C 1.594 176.223 174.600 0.050 0.000 0.980 151 S CA 0.872 59.095 58.200 0.037 0.000 0.941 151 S CB -0.298 62.921 63.200 0.033 0.000 0.763 151 S HN 0.542 nan 8.310 nan 0.000 0.532 152 A N 2.022 124.861 122.820 0.031 0.000 1.997 152 A HA 0.168 4.488 4.320 -0.000 0.000 0.212 152 A C 2.356 179.973 177.584 0.056 0.000 1.178 152 A CA 0.942 52.993 52.037 0.023 0.000 0.698 152 A CB -0.714 18.284 19.000 -0.003 0.000 0.842 152 A HN 0.698 nan 8.150 nan 0.000 0.458 153 S N -0.135 115.594 115.700 0.049 0.000 2.461 153 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 153 S C 1.421 176.060 174.600 0.064 0.000 1.005 153 S CA 0.775 59.005 58.200 0.051 0.000 0.942 153 S CB -0.428 62.791 63.200 0.032 0.000 0.776 153 S HN 0.391 nan 8.310 nan 0.000 0.514 154 L N 0.822 122.087 121.223 0.070 0.000 2.592 154 L HA 0.305 4.645 4.340 -0.000 0.000 0.227 154 L C 0.826 177.743 176.870 0.079 0.000 1.127 154 L CA -0.212 54.664 54.840 0.061 0.000 0.884 154 L CB -0.621 41.463 42.059 0.040 0.000 1.065 154 L HN 0.333 nan 8.230 nan 0.000 0.457 155 H N 0.562 119.642 119.070 0.016 0.000 2.964 155 H HA 0.252 4.808 4.556 -0.000 0.000 0.328 155 H C 1.290 176.632 175.328 0.023 0.000 1.030 155 H CA 0.746 56.805 56.048 0.018 0.000 1.445 155 H CB 0.765 30.537 29.762 0.015 0.000 1.449 155 H HN 0.250 nan 8.280 nan 0.000 0.581 156 G N 3.912 112.403 108.800 -0.514 0.000 2.189 156 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.267 156 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.267 156 G C 0.620 175.457 174.900 -0.104 0.000 0.975 156 G CA 0.410 45.323 45.100 -0.311 0.000 0.644 156 G HN 0.711 nan 8.290 nan 0.000 0.537 157 R N -0.514 119.953 120.500 -0.055 0.000 2.560 157 R HA 0.604 4.944 4.340 -0.000 0.000 0.270 157 R C 0.626 176.938 176.300 0.020 0.000 1.074 157 R CA -0.551 55.552 56.100 0.005 0.000 1.140 157 R CB 0.306 30.621 30.300 0.025 0.000 1.073 157 R HN 0.149 nan 8.270 nan 0.000 0.527 158 M N 1.669 121.301 119.600 0.054 0.000 2.318 158 M HA 0.349 4.829 4.480 -0.000 0.000 0.347 158 M C -0.615 175.724 176.300 0.065 0.000 1.175 158 M CA -0.498 54.844 55.300 0.070 0.000 1.075 158 M CB 1.462 34.124 32.600 0.104 0.000 1.614 158 M HN 0.295 nan 8.290 nan 0.000 0.456 159 V N 1.896 121.854 119.914 0.074 0.000 2.971 159 V HA 0.914 5.034 4.120 -0.000 0.000 0.309 159 V C -1.274 174.877 176.094 0.095 0.000 1.130 159 V CA -0.595 61.738 62.300 0.054 0.000 0.964 159 V CB 2.228 34.058 31.823 0.012 0.000 1.029 159 V HN 1.002 nan 8.190 nan 0.000 0.427 160 A N 2.574 125.410 122.820 0.028 0.000 2.413 160 A HA 0.861 5.181 4.320 -0.000 0.000 0.307 160 A C -0.187 177.295 177.584 -0.171 0.000 1.087 160 A CA -0.081 51.969 52.037 0.023 0.000 0.750 160 A CB 1.919 20.982 19.000 0.106 0.000 1.296 160 A HN 1.232 nan 8.150 nan 0.000 0.423 161 T N 0.026 114.486 114.554 -0.157 0.000 3.254 161 T HA 0.463 4.813 4.350 -0.000 0.000 0.385 161 T C -2.015 172.387 174.700 -0.496 0.000 1.528 161 T CA -1.584 60.344 62.100 -0.286 0.000 1.212 161 T CB 0.770 69.550 68.868 -0.146 0.000 1.145 161 T HN 0.343 nan 8.240 nan 0.000 0.631 162 P HA -0.101 nan 4.420 nan 0.000 0.219 162 P C 0.961 177.928 177.300 -0.556 0.000 1.146 162 P CA 1.070 63.329 63.100 -1.401 0.000 0.808 162 P CB 0.350 31.252 31.700 -1.329 0.000 0.779 163 E N -0.527 119.451 120.200 -0.370 0.000 2.358 163 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 163 E C 0.750 177.250 176.600 -0.166 0.000 1.010 163 E CA 0.581 56.853 56.400 -0.213 0.000 0.856 163 E CB -0.315 29.259 29.700 -0.209 0.000 0.795 163 E HN 0.367 nan 8.360 nan 0.000 0.504 164 I N -0.149 120.314 120.570 -0.179 0.000 2.750 164 I HA 0.178 4.348 4.170 -0.000 0.000 0.279 164 I C -0.153 175.959 176.117 -0.009 0.000 1.206 164 I CA -0.352 60.875 61.300 -0.123 0.000 1.101 164 I CB 0.957 38.841 38.000 -0.194 0.000 1.431 164 I HN -0.149 nan 8.210 nan 0.000 0.551 165 S N 1.993 117.724 115.700 0.052 0.000 3.146 165 S HA -0.249 4.221 4.470 -0.000 0.000 0.285 165 S C 0.312 175.072 174.600 0.268 0.000 1.293 165 S CA 1.207 59.487 58.200 0.133 0.000 1.137 165 S CB -1.321 61.929 63.200 0.083 0.000 1.357 165 S HN 0.816 nan 8.310 nan 0.000 0.678 166 W N 1.048 122.346 121.300 -0.004 0.000 5.361 166 W HA -0.248 4.412 4.660 -0.000 0.000 0.385 166 W C 0.364 176.890 176.519 0.013 0.000 1.458 166 W CA 0.595 57.939 57.345 -0.001 0.000 0.922 166 W CB -2.276 27.173 29.460 -0.019 0.000 2.606 166 W HN 0.395 nan 8.180 nan 0.000 1.450 167 S N 0.653 116.460 115.700 0.178 0.000 2.568 167 S HA 0.452 4.922 4.470 -0.000 0.000 0.282 167 S C 0.325 174.991 174.600 0.110 0.000 1.338 167 S CA -0.344 57.918 58.200 0.104 0.000 1.045 167 S CB 0.745 64.004 63.200 0.098 0.000 0.873 167 S HN 0.177 nan 8.310 nan 0.000 0.516 168 L N 2.876 124.056 121.223 -0.072 0.000 2.313 168 L HA 0.545 4.885 4.340 -0.000 0.000 0.283 168 L C -1.211 175.532 176.870 -0.211 0.000 1.013 168 L CA -0.578 54.248 54.840 -0.023 0.000 0.816 168 L CB 0.686 42.743 42.059 -0.003 0.000 1.236 168 L HN 0.607 nan 8.230 nan 0.000 0.419 169 Y N 1.689 121.983 120.300 -0.010 0.000 2.462 169 Y HA 0.484 5.034 4.550 0.000 0.000 0.346 169 Y C -0.187 175.696 175.900 -0.028 0.000 0.976 169 Y CA -0.891 57.194 58.100 -0.026 0.000 1.044 169 Y CB 2.272 40.708 38.460 -0.039 0.000 1.230 169 Y HN 0.204 nan 8.280 nan 0.000 0.455 170 V N 4.662 124.636 119.914 0.101 0.000 2.364 170 V HA 0.410 4.530 4.120 -0.000 0.000 0.272 170 V C -0.727 175.375 176.094 0.013 0.000 1.036 170 V CA -0.630 61.689 62.300 0.032 0.000 0.880 170 V CB 0.633 32.449 31.823 -0.011 0.000 0.991 170 V HN 0.616 nan 8.190 nan 0.000 0.460 171 V N 8.835 128.746 119.914 -0.006 0.000 2.446 171 V HA 0.086 4.206 4.120 -0.000 0.000 0.276 171 V C 1.212 177.273 176.094 -0.054 0.000 1.030 171 V CA 0.393 62.681 62.300 -0.019 0.000 1.033 171 V CB 0.910 32.728 31.823 -0.008 0.000 0.993 171 V HN 0.882 nan 8.190 nan 0.000 0.477 172 L N 4.238 125.450 121.223 -0.018 0.000 2.202 172 L HA 0.398 4.738 4.340 -0.000 0.000 0.205 172 L C 1.239 178.207 176.870 0.163 0.000 1.083 172 L CA 1.171 56.038 54.840 0.044 0.000 0.790 172 L CB -0.110 41.974 42.059 0.041 0.000 0.942 172 L HN 0.866 nan 8.230 nan 0.000 0.452 173 G N -0.601 108.251 108.800 0.088 0.000 2.360 173 G HA2 0.275 4.235 3.960 -0.000 0.000 0.276 173 G HA3 0.275 4.235 3.960 -0.000 0.000 0.276 173 G C -1.732 173.201 174.900 0.055 0.000 1.256 173 G CA -0.762 44.391 45.100 0.087 0.000 0.890 173 G HN -0.111 nan 8.290 nan 0.000 0.486 174 I N 0.689 121.290 120.570 0.052 0.000 2.474 174 I HA 0.425 4.595 4.170 -0.000 0.000 0.294 174 I C -1.345 174.806 176.117 0.057 0.000 1.005 174 I CA -0.569 60.756 61.300 0.042 0.000 1.113 174 I CB 2.235 40.245 38.000 0.017 0.000 1.289 174 I HN 0.422 nan 8.210 nan 0.000 0.436 175 D N 2.985 123.427 120.400 0.069 0.000 2.460 175 D HA 0.202 4.842 4.640 -0.000 0.000 0.232 175 D C 0.895 177.189 176.300 -0.011 0.000 1.079 175 D CA -0.368 53.666 54.000 0.057 0.000 0.864 175 D CB 1.151 42.024 40.800 0.122 0.000 1.048 175 D HN 0.491 nan 8.370 nan 0.000 0.523 176 S N 1.194 116.888 115.700 -0.010 0.000 2.515 176 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 176 S C 1.702 176.280 174.600 -0.037 0.000 0.987 176 S CA 0.430 58.615 58.200 -0.024 0.000 0.936 176 S CB -0.229 62.964 63.200 -0.012 0.000 0.766 176 S HN 0.471 nan 8.310 nan 0.000 0.528 177 T N 2.612 117.138 114.554 -0.047 0.000 2.699 177 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 177 T C 0.936 175.588 174.700 -0.080 0.000 1.036 177 T CA 1.614 63.678 62.100 -0.060 0.000 1.147 177 T CB -0.327 68.493 68.868 -0.081 0.000 0.862 177 T HN 0.886 nan 8.240 nan 0.000 0.446 178 Q N -0.423 119.299 119.800 -0.130 0.000 2.528 178 Q HA 0.697 5.037 4.340 -0.000 0.000 0.289 178 Q C -1.410 174.501 176.000 -0.147 0.000 1.091 178 Q CA -0.981 54.738 55.803 -0.140 0.000 0.797 178 Q CB 2.077 30.687 28.738 -0.213 0.000 1.466 178 Q HN 0.001 nan 8.270 nan 0.000 0.436 179 T N -0.257 114.218 114.554 -0.132 0.000 2.812 179 T HA 0.231 4.581 4.350 -0.000 0.000 0.294 179 T C 0.564 175.184 174.700 -0.134 0.000 1.159 179 T CA -0.474 61.553 62.100 -0.121 0.000 1.008 179 T CB 1.637 70.472 68.868 -0.056 0.000 1.289 179 T HN 0.609 nan 8.240 nan 0.000 0.514 180 S N 0.633 116.274 115.700 -0.099 0.000 2.465 180 S HA -0.032 4.438 4.470 -0.000 0.000 0.241 180 S C 1.601 176.266 174.600 0.107 0.000 1.000 180 S CA 0.994 59.198 58.200 0.007 0.000 0.964 180 S CB -0.348 62.859 63.200 0.010 0.000 0.763 180 S HN 0.435 nan 8.310 nan 0.000 0.512 181 L N 1.029 122.274 121.223 0.037 0.000 2.611 181 L HA 0.179 4.519 4.340 -0.000 0.000 0.229 181 L C 0.323 177.178 176.870 -0.026 0.000 1.137 181 L CA -0.119 54.723 54.840 0.004 0.000 0.901 181 L CB 0.008 42.066 42.059 -0.001 0.000 1.098 181 L HN 0.079 nan 8.230 nan 0.000 0.456 182 S N -1.208 114.536 115.700 0.073 0.000 2.610 182 S HA 0.399 4.869 4.470 -0.000 0.000 0.273 182 S C -0.557 174.159 174.600 0.192 0.000 1.274 182 S CA -0.416 57.868 58.200 0.141 0.000 1.023 182 S CB 0.713 64.001 63.200 0.147 0.000 0.962 182 S HN -0.026 nan 8.310 nan 0.000 0.523 183 Y N 1.689 122.100 120.300 0.184 0.000 2.301 183 Y HA 0.523 5.073 4.550 -0.000 0.000 0.325 183 Y C 0.143 176.138 175.900 0.158 0.000 1.203 183 Y CA -0.571 57.590 58.100 0.102 0.000 1.255 183 Y CB 0.599 39.062 38.460 0.005 0.000 1.232 183 Y HN 0.659 nan 8.280 nan 0.000 0.501 184 F N -0.922 119.029 119.950 0.001 0.000 2.613 184 F HA 0.824 5.351 4.527 -0.000 0.000 0.314 184 F C -0.847 174.912 175.800 -0.068 0.000 1.075 184 F CA -1.112 56.842 58.000 -0.078 0.000 0.945 184 F CB 1.484 40.314 39.000 -0.283 0.000 1.310 184 F HN 0.398 nan 8.300 nan 0.000 0.467 185 T N -0.036 114.495 114.554 -0.039 0.000 2.856 185 T HA 0.767 5.117 4.350 -0.000 0.000 0.283 185 T C -0.831 173.835 174.700 -0.057 0.000 1.008 185 T CA -0.999 61.018 62.100 -0.138 0.000 0.997 185 T CB 1.777 70.614 68.868 -0.052 0.000 0.992 185 T HN 0.903 nan 8.240 nan 0.000 0.454 186 R N 1.266 121.695 120.500 -0.119 0.000 2.711 186 R HA 0.735 5.075 4.340 -0.000 0.000 0.284 186 R C 0.053 176.326 176.300 -0.045 0.000 0.968 186 R CA -1.056 55.018 56.100 -0.044 0.000 0.924 186 R CB 1.412 31.682 30.300 -0.051 0.000 1.162 186 R HN 0.930 nan 8.270 nan 0.000 0.465 187 A N 2.726 125.534 122.820 -0.020 0.000 2.581 187 A HA -0.109 4.211 4.320 -0.000 0.000 0.257 187 A C 0.377 177.942 177.584 -0.031 0.000 1.022 187 A CA 0.551 52.576 52.037 -0.020 0.000 0.812 187 A CB -0.461 18.534 19.000 -0.010 0.000 0.918 187 A HN 1.031 nan 8.150 nan 0.000 0.516 188 N N -0.191 118.488 118.700 -0.035 0.000 2.896 188 N HA -0.160 4.580 4.740 -0.000 0.000 0.198 188 N C 0.212 175.690 175.510 -0.053 0.000 1.061 188 N CA 1.833 54.860 53.050 -0.039 0.000 1.096 188 N CB -0.804 37.665 38.487 -0.031 0.000 0.963 188 N HN 0.957 nan 8.380 nan 0.000 0.570 189 E N 1.004 121.162 120.200 -0.070 0.000 2.244 189 E HA 0.560 4.910 4.350 -0.000 0.000 0.266 189 E C -0.927 175.593 176.600 -0.132 0.000 0.914 189 E CA -0.484 55.861 56.400 -0.091 0.000 0.794 189 E CB 1.480 31.124 29.700 -0.094 0.000 1.210 189 E HN 0.233 nan 8.360 nan 0.000 0.414 190 S N 3.466 119.091 115.700 -0.125 0.000 2.733 190 S HA 0.582 5.052 4.470 -0.000 0.000 0.294 190 S C -0.722 173.854 174.600 -0.040 0.000 1.149 190 S CA -0.794 57.328 58.200 -0.130 0.000 1.034 190 S CB 0.311 63.453 63.200 -0.097 0.000 1.015 190 S HN 0.422 nan 8.310 nan 0.000 0.486 191 I N 2.426 122.852 120.570 -0.239 0.000 2.646 191 I HA 0.473 4.643 4.170 -0.000 0.000 0.299 191 I C 0.458 176.405 176.117 -0.282 0.000 1.036 191 I CA -0.975 60.199 61.300 -0.209 0.000 1.074 191 I CB 2.548 40.363 38.000 -0.308 0.000 1.258 191 I HN 0.751 nan 8.210 nan 0.000 0.430 192 T N 0.175 114.542 114.554 -0.312 0.000 2.918 192 T HA 0.190 4.540 4.350 -0.000 0.000 0.302 192 T C 0.892 175.650 174.700 0.096 0.000 1.045 192 T CA -0.080 61.846 62.100 -0.290 0.000 1.114 192 T CB 0.658 69.295 68.868 -0.385 0.000 0.965 192 T HN 0.409 nan 8.240 nan 0.000 0.540 193 Y N 1.013 121.452 120.300 0.232 0.000 2.128 193 Y HA -0.176 4.374 4.550 -0.000 0.000 0.284 193 Y C 2.817 178.982 175.900 0.442 0.000 1.154 193 Y CA 1.831 60.176 58.100 0.409 0.000 1.149 193 Y CB -0.431 38.218 38.460 0.315 0.000 0.976 193 Y HN 0.628 nan 8.280 nan 0.000 0.505 194 M N -0.247 119.605 119.600 0.421 0.000 2.144 194 M HA -0.309 4.171 4.480 -0.000 0.000 0.260 194 M C 2.320 178.780 176.300 0.267 0.000 1.067 194 M CA 1.790 57.269 55.300 0.299 0.000 1.095 194 M CB -0.163 32.528 32.600 0.152 0.000 1.365 194 M HN 0.236 nan 8.290 nan 0.000 0.406 195 R N -1.142 119.478 120.500 0.201 0.000 2.075 195 R HA -0.170 4.170 4.340 -0.000 0.000 0.226 195 R C 2.229 178.627 176.300 0.162 0.000 1.114 195 R CA 1.475 57.659 56.100 0.141 0.000 0.972 195 R CB -0.475 29.864 30.300 0.064 0.000 0.869 195 R HN 0.477 nan 8.270 nan 0.000 0.437 196 Y N 0.300 120.645 120.300 0.075 0.000 2.114 196 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 196 Y C 1.485 177.369 175.900 -0.027 0.000 1.165 196 Y CA 1.799 59.896 58.100 -0.005 0.000 1.148 196 Y CB -0.655 37.807 38.460 0.003 0.000 0.972 196 Y HN 0.086 nan 8.280 nan 0.000 0.504 197 Y N -0.256 120.007 120.300 -0.063 0.000 2.352 197 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 197 Y C 2.627 178.471 175.900 -0.093 0.000 1.136 197 Y CA 1.014 59.047 58.100 -0.112 0.000 1.227 197 Y CB -0.662 37.819 38.460 0.036 0.000 0.991 197 Y HN 0.274 nan 8.280 nan 0.000 0.545 198 A N -0.561 122.329 122.820 0.117 0.000 1.930 198 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 198 A C 2.221 179.816 177.584 0.019 0.000 1.176 198 A CA 1.931 54.027 52.037 0.099 0.000 0.632 198 A CB -1.005 18.143 19.000 0.247 0.000 0.819 198 A HN 0.357 nan 8.150 nan 0.000 0.445 199 T N 0.223 114.760 114.554 -0.028 0.000 2.701 199 T HA 0.058 4.408 4.350 -0.000 0.000 0.263 199 T C 2.229 176.827 174.700 -0.170 0.000 1.040 199 T CA 1.651 63.711 62.100 -0.066 0.000 1.147 199 T CB -0.374 68.471 68.868 -0.038 0.000 0.865 199 T HN 0.537 nan 8.240 nan 0.000 0.426 200 A N 1.259 123.862 122.820 -0.362 0.000 1.850 200 A HA -0.019 4.301 4.320 -0.000 0.000 0.212 200 A C 1.922 179.181 177.584 -0.542 0.000 1.208 200 A CA 0.799 52.494 52.037 -0.571 0.000 0.609 200 A CB -0.510 17.866 19.000 -1.040 0.000 0.860 200 A HN 0.590 nan 8.150 nan 0.000 0.448 201 H N -1.131 117.810 119.070 -0.215 0.000 2.586 201 H HA 0.132 4.688 4.556 -0.000 0.000 0.273 201 H C 0.091 175.341 175.328 -0.129 0.000 0.997 201 H CA 0.291 56.260 56.048 -0.131 0.000 1.177 201 H CB 0.022 29.735 29.762 -0.081 0.000 1.471 201 H HN 0.548 nan 8.280 nan 0.000 0.538 202 N N 1.140 119.790 118.700 -0.084 0.000 2.727 202 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 202 N C -0.774 174.510 175.510 -0.378 0.000 1.048 202 N CA 0.257 53.184 53.050 -0.205 0.000 0.714 202 N CB -1.209 37.212 38.487 -0.111 0.000 0.959 202 N HN 0.374 nan 8.380 nan 0.000 0.544 203 I N 2.091 122.495 120.570 -0.277 0.000 2.354 203 I HA 0.148 4.318 4.170 -0.000 0.000 0.286 203 I C -0.004 175.973 176.117 -0.235 0.000 1.007 203 I CA -0.623 60.528 61.300 -0.249 0.000 1.167 203 I CB 1.002 38.953 38.000 -0.081 0.000 1.320 203 I HN 0.037 nan 8.210 nan 0.000 0.458 204 H N 7.408 126.487 119.070 0.015 0.000 2.741 204 H HA 0.324 4.880 4.556 -0.000 0.000 0.282 204 H C -0.106 175.215 175.328 -0.011 0.000 1.122 204 H CA -0.643 55.413 56.048 0.013 0.000 1.293 204 H CB 0.778 30.546 29.762 0.009 0.000 1.415 204 H HN 0.424 nan 8.280 nan 0.000 0.472 205 L N 3.457 124.729 121.223 0.081 0.000 2.534 205 L HA -0.011 4.329 4.340 -0.000 0.000 0.271 205 L C 1.879 178.756 176.870 0.013 0.000 1.178 205 L CA 0.131 54.973 54.840 0.003 0.000 0.907 205 L CB 0.778 42.829 42.059 -0.013 0.000 1.164 205 L HN 0.497 nan 8.230 nan 0.000 0.482 206 R N 3.128 123.620 120.500 -0.013 0.000 2.051 206 R HA 0.046 4.386 4.340 -0.000 0.000 0.225 206 R C 0.999 177.288 176.300 -0.018 0.000 1.155 206 R CA 1.197 57.291 56.100 -0.010 0.000 0.945 206 R CB -0.065 30.225 30.300 -0.017 0.000 0.840 206 R HN 0.719 nan 8.270 nan 0.000 0.432 207 A N 1.046 123.845 122.820 -0.035 0.000 3.135 207 A HA 0.348 4.668 4.320 -0.000 0.000 0.253 207 A C 0.934 178.494 177.584 -0.041 0.000 1.638 207 A CA 0.130 52.145 52.037 -0.036 0.000 1.295 207 A CB -0.168 18.806 19.000 -0.044 0.000 1.106 207 A HN 0.416 nan 8.150 nan 0.000 0.648 208 A N 0.444 123.248 122.820 -0.026 0.000 2.239 208 A HA 0.084 4.404 4.320 -0.000 0.000 0.209 208 A C 1.021 178.593 177.584 -0.021 0.000 1.171 208 A CA 1.114 53.139 52.037 -0.020 0.000 0.768 208 A CB -0.403 18.601 19.000 0.007 0.000 0.790 208 A HN 0.678 nan 8.150 nan 0.000 0.478 209 D N -1.441 118.944 120.400 -0.024 0.000 2.402 209 D HA 0.280 4.920 4.640 -0.000 0.000 0.216 209 D C 0.052 176.333 176.300 -0.032 0.000 1.128 209 D CA -0.210 53.776 54.000 -0.023 0.000 0.833 209 D CB -0.188 40.604 40.800 -0.014 0.000 0.971 209 D HN 0.329 nan 8.370 nan 0.000 0.503 210 L N 0.661 121.857 121.223 -0.045 0.000 2.334 210 L HA 0.439 4.779 4.340 -0.000 0.000 0.277 210 L C -2.198 174.634 176.870 -0.065 0.000 1.075 210 L CA -2.313 52.496 54.840 -0.050 0.000 0.804 210 L CB 1.247 43.273 42.059 -0.055 0.000 1.174 210 L HN -0.231 nan 8.230 nan 0.000 0.438 211 P HA 0.066 nan 4.420 nan 0.000 0.267 211 P C -0.431 176.823 177.300 -0.077 0.000 1.209 211 P CA -0.082 62.980 63.100 -0.064 0.000 0.763 211 P CB 0.325 32.001 31.700 -0.041 0.000 0.816 212 L N 2.770 123.925 121.223 -0.114 0.000 2.499 212 L HA 0.056 4.396 4.340 -0.000 0.000 0.281 212 L C 0.362 177.217 176.870 -0.025 0.000 1.234 212 L CA -0.197 54.571 54.840 -0.120 0.000 0.839 212 L CB 0.179 42.100 42.059 -0.230 0.000 1.104 212 L HN 0.137 nan 8.230 nan 0.000 0.500 213 V N 2.323 122.217 119.914 -0.033 0.000 2.406 213 V HA 0.332 4.452 4.120 -0.000 0.000 0.272 213 V C 0.563 176.665 176.094 0.014 0.000 1.043 213 V CA -0.658 61.633 62.300 -0.015 0.000 0.915 213 V CB 1.084 32.865 31.823 -0.071 0.000 0.988 213 V HN 0.832 nan 8.190 nan 0.000 0.466 214 A N 4.642 127.490 122.820 0.047 0.000 2.310 214 A HA 0.808 5.128 4.320 -0.000 0.000 0.300 214 A C 0.321 177.836 177.584 -0.114 0.000 1.269 214 A CA 0.184 52.166 52.037 -0.091 0.000 0.909 214 A CB 0.120 19.121 19.000 0.002 0.000 1.144 214 A HN 1.386 nan 8.150 nan 0.000 0.540 215 A N 2.394 125.118 122.820 -0.161 0.000 2.587 215 A HA 0.707 5.027 4.320 -0.000 0.000 0.293 215 A C -0.872 176.714 177.584 0.003 0.000 1.087 215 A CA -0.485 51.523 52.037 -0.049 0.000 0.692 215 A CB 1.281 20.278 19.000 -0.005 0.000 1.291 215 A HN 1.062 nan 8.150 nan 0.000 0.407 216 V N 1.232 121.173 119.914 0.046 0.000 2.472 216 V HA 0.476 4.596 4.120 -0.000 0.000 0.290 216 V C 0.678 176.800 176.094 0.047 0.000 1.037 216 V CA -0.704 61.618 62.300 0.036 0.000 0.908 216 V CB 1.385 33.201 31.823 -0.012 0.000 0.985 216 V HN 0.952 nan 8.190 nan 0.000 0.454 217 R N 1.704 122.168 120.500 -0.061 0.000 2.570 217 R HA 0.117 4.457 4.340 -0.000 0.000 0.277 217 R C 1.077 177.241 176.300 -0.227 0.000 1.039 217 R CA -0.267 55.596 56.100 -0.396 0.000 1.065 217 R CB 0.390 30.474 30.300 -0.361 0.000 0.964 217 R HN 0.706 nan 8.270 nan 0.000 0.428 218 L N 3.651 124.722 121.223 -0.252 0.000 2.046 218 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 218 L C 1.193 177.996 176.870 -0.113 0.000 1.077 218 L CA 1.920 56.680 54.840 -0.133 0.000 0.747 218 L CB -0.306 41.686 42.059 -0.112 0.000 0.896 218 L HN 0.760 nan 8.230 nan 0.000 0.432 219 D N -0.181 120.133 120.400 -0.144 0.000 2.149 219 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 219 D C 1.412 177.673 176.300 -0.065 0.000 1.001 219 D CA 1.800 55.735 54.000 -0.109 0.000 0.849 219 D CB -0.073 40.657 40.800 -0.117 0.000 0.939 219 D HN 0.495 nan 8.370 nan 0.000 0.449 220 D N -0.019 120.346 120.400 -0.059 0.000 2.271 220 D HA -0.022 4.618 4.640 -0.000 0.000 0.206 220 D C 1.043 177.375 176.300 0.053 0.000 0.967 220 D CA -0.057 53.939 54.000 -0.006 0.000 0.867 220 D CB 0.025 40.812 40.800 -0.021 0.000 0.960 220 D HN 0.093 nan 8.370 nan 0.000 0.509 221 L N 1.708 122.949 121.223 0.031 0.000 2.391 221 L HA 0.105 4.445 4.340 -0.000 0.000 0.249 221 L C 1.323 178.225 176.870 0.054 0.000 1.308 221 L CA 0.183 55.072 54.840 0.083 0.000 1.209 221 L CB -0.161 41.919 42.059 0.036 0.000 1.401 221 L HN -0.270 nan 8.230 nan 0.000 0.416 222 K N 0.475 120.913 120.400 0.063 0.000 2.025 222 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 222 K C 0.882 177.432 176.600 -0.083 0.000 1.049 222 K CA 1.921 58.188 56.287 -0.032 0.000 0.933 222 K CB 0.286 32.758 32.500 -0.045 0.000 0.714 222 K HN 0.814 nan 8.250 nan 0.000 0.438 223 D N -2.811 117.470 120.400 -0.197 0.000 2.520 223 D HA -0.054 4.586 4.640 -0.000 0.000 0.386 223 D C -0.417 175.798 176.300 -0.142 0.000 1.267 223 D CA -0.338 53.572 54.000 -0.150 0.000 0.958 223 D CB -0.559 40.155 40.800 -0.144 0.000 1.462 223 D HN 0.039 nan 8.370 nan 0.000 0.438 224 H N 1.658 120.736 119.070 0.014 0.000 2.948 224 H HA 0.207 4.763 4.556 -0.000 0.000 0.351 224 H C 0.535 175.871 175.328 0.013 0.000 1.079 224 H CA 0.495 56.551 56.048 0.013 0.000 1.407 224 H CB 0.607 30.374 29.762 0.009 0.000 1.373 224 H HN 0.181 nan 8.280 nan 0.000 0.605 225 Q N 1.216 121.101 119.800 0.141 0.000 2.421 225 Q HA 0.299 4.639 4.340 -0.000 0.000 0.255 225 Q C 0.154 176.202 176.000 0.080 0.000 1.013 225 Q CA -0.052 55.802 55.803 0.086 0.000 0.895 225 Q CB 0.512 29.294 28.738 0.072 0.000 1.271 225 Q HN 0.434 nan 8.270 nan 0.000 0.460 226 I N 2.888 123.496 120.570 0.062 0.000 2.371 226 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 226 I C -1.782 174.399 176.117 0.107 0.000 1.028 226 I CA -2.039 59.295 61.300 0.057 0.000 1.345 226 I CB 0.767 38.769 38.000 0.003 0.000 1.407 226 I HN 0.533 nan 8.210 nan 0.000 0.501 227 P HA 0.168 nan 4.420 nan 0.000 0.274 227 P C -0.488 176.925 177.300 0.189 0.000 1.264 227 P CA -0.404 62.768 63.100 0.120 0.000 0.795 227 P CB 0.483 32.238 31.700 0.092 0.000 1.064 228 A N 0.418 123.279 122.820 0.069 0.000 2.246 228 A HA 0.583 4.903 4.320 -0.000 0.000 0.291 228 A C -1.966 175.512 177.584 -0.178 0.000 1.103 228 A CA -1.108 50.883 52.037 -0.077 0.000 0.844 228 A CB -1.513 17.449 19.000 -0.064 0.000 1.136 228 A HN 0.436 nan 8.150 nan 0.000 0.500 234 D N 0.883 121.291 120.400 0.012 0.000 2.119 234 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 234 D C 0.630 176.917 176.300 -0.021 0.000 0.987 234 D CA 1.075 55.075 54.000 -0.000 0.000 0.858 234 D CB 0.298 41.099 40.800 0.003 0.000 1.008 234 D HN 0.286 nan 8.370 nan 0.000 0.450 235 L N 0.793 121.988 121.223 -0.047 0.000 2.272 235 L HA 0.339 4.679 4.340 -0.000 0.000 0.284 235 L C 0.745 177.581 176.870 -0.056 0.000 1.045 235 L CA -0.390 54.404 54.840 -0.077 0.000 0.842 235 L CB 1.675 43.633 42.059 -0.169 0.000 1.224 235 L HN -0.023 nan 8.230 nan 0.000 0.430 236 A N 3.884 126.686 122.820 -0.030 0.000 2.303 236 A HA 0.253 4.573 4.320 -0.000 0.000 0.217 236 A C -0.462 177.116 177.584 -0.009 0.000 1.205 236 A CA 0.038 52.066 52.037 -0.015 0.000 0.875 236 A CB -0.630 18.382 19.000 0.019 0.000 0.910 236 A HN 0.584 nan 8.150 nan 0.000 0.501 237 P HA -0.047 nan 4.420 nan 0.000 0.230 237 P C 0.525 177.817 177.300 -0.015 0.000 1.158 237 P CA 0.950 64.049 63.100 -0.002 0.000 0.769 237 P CB 0.051 31.748 31.700 -0.005 0.000 0.807 238 K N -0.770 119.607 120.400 -0.038 0.000 2.373 238 K HA 0.157 4.477 4.320 -0.000 0.000 0.202 238 K C 0.401 176.962 176.600 -0.065 0.000 1.025 238 K CA -0.581 55.680 56.287 -0.042 0.000 1.115 238 K CB 0.182 32.654 32.500 -0.047 0.000 0.858 238 K HN 0.051 nan 8.250 nan 0.000 0.525 239 L N 1.783 122.946 121.223 -0.100 0.000 2.380 239 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 239 L C -0.627 176.059 176.870 -0.306 0.000 1.138 239 L CA 0.229 54.942 54.840 -0.212 0.000 0.832 239 L CB 0.442 42.344 42.059 -0.262 0.000 1.124 239 L HN -0.012 nan 8.230 nan 0.000 0.454 240 R N 4.623 124.903 120.500 -0.365 0.000 2.621 240 R HA 0.502 4.842 4.340 -0.000 0.000 0.292 240 R C -1.545 174.476 176.300 -0.466 0.000 0.969 240 R CA -0.547 55.375 56.100 -0.297 0.000 0.887 240 R CB 1.585 31.880 30.300 -0.008 0.000 1.180 240 R HN 0.450 nan 8.270 nan 0.000 0.450 241 F N 4.072 124.011 119.950 -0.017 0.000 2.427 241 F HA 0.503 5.030 4.527 -0.000 0.000 0.346 241 F C 0.269 175.986 175.800 -0.138 0.000 1.120 241 F CA -0.974 56.963 58.000 -0.105 0.000 1.033 241 F CB 1.293 40.195 39.000 -0.163 0.000 1.126 241 F HN 0.220 nan 8.300 nan 0.000 0.462 242 L N 1.219 122.414 121.223 -0.047 0.000 2.445 242 L HA 0.776 5.116 4.340 -0.000 0.000 0.262 242 L C -3.170 173.596 176.870 -0.173 0.000 0.974 242 L CA -2.615 52.164 54.840 -0.101 0.000 0.822 242 L CB 2.320 44.242 42.059 -0.228 0.000 1.339 242 L HN 0.188 nan 8.230 nan 0.000 0.409 243 P HA 0.182 nan 4.420 nan 0.000 0.264 243 P C -2.172 175.002 177.300 -0.209 0.000 1.193 243 P CA -0.815 62.151 63.100 -0.222 0.000 0.763 243 P CB 0.277 31.801 31.700 -0.294 0.000 0.810 244 P HA -0.201 nan 4.420 nan 0.000 0.218 244 P C 1.033 178.249 177.300 -0.140 0.000 1.148 244 P CA 1.462 64.483 63.100 -0.131 0.000 0.822 244 P CB -0.208 31.435 31.700 -0.096 0.000 0.784 245 E N -0.632 119.478 120.200 -0.149 0.000 2.482 245 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 245 E C 1.379 177.868 176.600 -0.186 0.000 1.047 245 E CA 0.444 56.758 56.400 -0.144 0.000 0.869 245 E CB -0.821 28.806 29.700 -0.121 0.000 0.836 245 E HN 0.250 nan 8.360 nan 0.000 0.520 246 L N 0.213 121.294 121.223 -0.236 0.000 2.640 246 L HA 0.245 4.585 4.340 -0.000 0.000 0.230 246 L C 0.066 176.774 176.870 -0.269 0.000 1.123 246 L CA -0.524 54.148 54.840 -0.280 0.000 0.900 246 L CB 0.725 42.560 42.059 -0.372 0.000 1.146 246 L HN 0.185 nan 8.230 nan 0.000 0.484 247 C N 1.388 120.554 119.300 -0.225 0.000 2.223 247 C HA 0.349 4.809 4.460 -0.000 0.000 0.324 247 C C 0.459 175.351 174.990 -0.164 0.000 1.196 247 C CA -0.886 58.013 59.018 -0.198 0.000 1.628 247 C CB 0.241 27.880 27.740 -0.168 0.000 2.229 247 C HN 0.198 nan 8.230 nan 0.000 0.486 248 L N 5.334 126.443 121.223 -0.190 0.000 2.268 248 L HA 0.397 4.737 4.340 -0.000 0.000 0.289 248 L C -0.009 176.819 176.870 -0.070 0.000 1.064 248 L CA -0.323 54.426 54.840 -0.151 0.000 0.824 248 L CB 0.350 42.259 42.059 -0.251 0.000 1.202 248 L HN 0.696 nan 8.230 nan 0.000 0.433 249 L N 6.276 127.478 121.223 -0.035 0.000 2.456 249 L HA 0.256 4.596 4.340 -0.000 0.000 0.277 249 L C -0.441 176.452 176.870 0.038 0.000 1.124 249 L CA -0.115 54.727 54.840 0.004 0.000 0.880 249 L CB 0.279 42.341 42.059 0.005 0.000 1.192 249 L HN 0.542 nan 8.230 nan 0.000 0.463 250 L N 7.851 129.109 121.223 0.059 0.000 2.453 250 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 250 L C -1.615 175.348 176.870 0.156 0.000 1.182 250 L CA -1.859 53.038 54.840 0.094 0.000 0.858 250 L CB -0.136 41.970 42.059 0.078 0.000 1.120 250 L HN 0.538 nan 8.230 nan 0.000 0.474 251 P HA -0.128 nan 4.420 nan 0.000 0.269 251 P C 0.191 177.609 177.300 0.196 0.000 1.205 251 P CA -0.067 63.156 63.100 0.206 0.000 0.780 251 P CB 0.639 32.494 31.700 0.258 0.000 0.858 252 D N 0.844 121.311 120.400 0.112 0.000 2.311 252 D HA -0.164 4.476 4.640 -0.000 0.000 0.212 252 D C 1.396 177.719 176.300 0.039 0.000 0.972 252 D CA 1.111 55.152 54.000 0.069 0.000 0.887 252 D CB 0.185 41.008 40.800 0.039 0.000 0.915 252 D HN 0.474 nan 8.370 nan 0.000 0.497 253 E N -0.756 119.454 120.200 0.016 0.000 2.107 253 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 253 E C 0.411 176.870 176.600 -0.234 0.000 0.982 253 E CA 0.402 56.712 56.400 -0.150 0.000 0.809 253 E CB -0.119 29.428 29.700 -0.254 0.000 0.756 253 E HN 0.288 nan 8.360 nan 0.000 0.459 254 F N 3.133 123.112 119.950 0.048 0.000 2.541 254 F HA 0.074 4.601 4.527 -0.000 0.000 0.351 254 F C 0.802 176.628 175.800 0.044 0.000 1.209 254 F CA -0.743 57.291 58.000 0.057 0.000 1.277 254 F CB -0.003 39.044 39.000 0.079 0.000 1.632 254 F HN -0.053 nan 8.300 nan 0.000 0.619 255 D N 0.759 121.235 120.400 0.128 0.000 2.478 255 D HA 0.020 4.660 4.640 -0.000 0.000 0.274 255 D C 1.611 177.968 176.300 0.095 0.000 1.234 255 D CA -0.512 53.542 54.000 0.091 0.000 1.069 255 D CB 0.612 41.436 40.800 0.039 0.000 1.113 255 D HN 0.303 nan 8.370 nan 0.000 0.571 256 L N -0.128 121.130 121.223 0.060 0.000 1.990 256 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 256 L C 2.182 179.092 176.870 0.066 0.000 1.072 256 L CA 1.715 56.587 54.840 0.053 0.000 0.755 256 L CB -0.618 41.455 42.059 0.024 0.000 0.889 256 L HN 0.434 nan 8.230 nan 0.000 0.432 257 I N -0.680 119.922 120.570 0.053 0.000 2.127 257 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 257 I C 2.699 178.878 176.117 0.103 0.000 1.075 257 I CA 1.264 62.598 61.300 0.057 0.000 1.334 257 I CB -1.575 36.435 38.000 0.017 0.000 1.040 257 I HN 0.345 nan 8.210 nan 0.000 0.405 258 R N 0.764 121.322 120.500 0.096 0.000 2.094 258 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 258 R C 2.386 178.873 176.300 0.311 0.000 1.137 258 R CA 1.305 57.505 56.100 0.167 0.000 0.943 258 R CB -0.947 29.390 30.300 0.062 0.000 0.850 258 R HN 0.287 nan 8.270 nan 0.000 0.433 259 V N 0.829 120.894 119.914 0.252 0.000 2.358 259 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 259 V C 2.571 178.740 176.094 0.125 0.000 1.047 259 V CA 1.935 64.368 62.300 0.222 0.000 1.035 259 V CB -0.532 31.394 31.823 0.173 0.000 0.658 259 V HN 0.365 nan 8.190 nan 0.000 0.452 260 Q N 0.344 120.205 119.800 0.102 0.000 2.050 260 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 260 Q C 2.217 178.265 176.000 0.080 0.000 0.980 260 Q CA 2.069 57.901 55.803 0.048 0.000 0.840 260 Q CB -0.417 28.364 28.738 0.071 0.000 0.898 260 Q HN 0.593 nan 8.270 nan 0.000 0.424 261 A N 0.584 123.531 122.820 0.212 0.000 1.978 261 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 261 A C 1.983 179.617 177.584 0.083 0.000 1.170 261 A CA 1.401 53.615 52.037 0.295 0.000 0.636 261 A CB -0.839 18.370 19.000 0.350 0.000 0.810 261 A HN 0.544 nan 8.150 nan 0.000 0.448 262 L N -0.244 121.019 121.223 0.067 0.000 2.079 262 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 262 L C 2.170 178.882 176.870 -0.262 0.000 1.081 262 L CA 2.260 57.015 54.840 -0.141 0.000 0.752 262 L CB -0.781 41.337 42.059 0.099 0.000 0.896 262 L HN 0.415 nan 8.230 nan 0.000 0.433 263 Q N -0.800 118.839 119.800 -0.268 0.000 2.297 263 Q HA -0.179 4.161 4.340 -0.000 0.000 0.208 263 Q C 2.184 177.884 176.000 -0.500 0.000 0.981 263 Q CA 1.789 57.348 55.803 -0.407 0.000 0.876 263 Q CB -0.486 27.957 28.738 -0.491 0.000 0.921 263 Q HN 0.622 nan 8.270 nan 0.000 0.446 264 F N 0.132 119.933 119.950 -0.247 0.000 2.512 264 F HA -0.004 4.523 4.527 -0.000 0.000 0.296 264 F C 2.141 177.745 175.800 -0.326 0.000 1.110 264 F CA 0.008 57.864 58.000 -0.240 0.000 1.446 264 F CB -0.169 38.695 39.000 -0.226 0.000 1.092 264 F HN -0.039 nan 8.300 nan 0.000 0.554 265 L N 0.484 121.462 121.223 -0.408 0.000 1.997 265 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 265 L C -0.395 176.292 176.870 -0.306 0.000 1.074 265 L CA 1.797 56.194 54.840 -0.738 0.000 0.763 265 L CB -2.159 39.150 42.059 -1.251 0.000 0.890 265 L HN 0.064 nan 8.230 nan 0.000 0.434 266 P HA -0.203 nan 4.420 nan 0.000 0.217 266 P C 1.349 178.671 177.300 0.035 0.000 1.151 266 P CA 1.352 64.444 63.100 -0.012 0.000 0.849 266 P CB -0.014 31.450 31.700 -0.393 0.000 0.787 267 E N -0.662 119.565 120.200 0.045 0.000 2.077 267 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 267 E C 2.122 178.805 176.600 0.138 0.000 0.989 267 E CA 0.949 57.423 56.400 0.123 0.000 0.800 267 E CB -0.912 28.962 29.700 0.290 0.000 0.746 267 E HN 0.345 nan 8.360 nan 0.000 0.452 268 I N 1.015 121.734 120.570 0.249 0.000 2.335 268 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 268 I C 2.338 178.601 176.117 0.243 0.000 1.129 268 I CA 1.084 62.603 61.300 0.366 0.000 1.402 268 I CB -0.309 37.868 38.000 0.294 0.000 1.069 268 I HN -0.006 nan 8.210 nan 0.000 0.424 269 A N 0.725 123.657 122.820 0.187 0.000 1.929 269 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 269 A C 2.320 179.954 177.584 0.083 0.000 1.176 269 A CA 1.277 53.434 52.037 0.199 0.000 0.628 269 A CB -0.293 18.935 19.000 0.380 0.000 0.816 269 A HN 0.295 nan 8.150 nan 0.000 0.444 270 K N -1.361 119.057 120.400 0.030 0.000 2.057 270 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 270 K C 2.075 178.561 176.600 -0.189 0.000 1.050 270 K CA 1.440 57.677 56.287 -0.083 0.000 0.935 270 K CB -0.308 32.146 32.500 -0.077 0.000 0.715 270 K HN 0.674 nan 8.250 nan 0.000 0.439 271 H N 1.174 120.041 119.070 -0.338 0.000 2.290 271 H HA -0.067 4.489 4.556 -0.000 0.000 0.298 271 H C 1.742 176.836 175.328 -0.389 0.000 1.087 271 H CA 1.801 57.547 56.048 -0.504 0.000 1.291 271 H CB -0.148 29.169 29.762 -0.741 0.000 1.369 271 H HN 0.074 nan 8.280 nan 0.000 0.492 272 I N -0.619 119.760 120.570 -0.318 0.000 2.493 272 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 272 I C 2.799 178.775 176.117 -0.235 0.000 1.160 272 I CA 0.846 61.946 61.300 -0.333 0.000 1.445 272 I CB -0.252 37.643 38.000 -0.175 0.000 1.086 272 I HN 0.490 nan 8.210 nan 0.000 0.433 273 C N 0.697 119.907 119.300 -0.150 0.000 2.453 273 C HA -0.197 4.263 4.460 -0.000 0.000 0.277 273 C C 2.673 177.590 174.990 -0.122 0.000 1.262 273 C CA 1.481 60.465 59.018 -0.058 0.000 1.718 273 C CB -0.747 26.983 27.740 -0.018 0.000 2.031 273 C HN 0.524 nan 8.230 nan 0.000 0.480 274 D N 0.468 120.691 120.400 -0.295 0.000 2.092 274 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 274 D C 1.991 178.103 176.300 -0.314 0.000 0.994 274 D CA 1.808 55.631 54.000 -0.294 0.000 0.828 274 D CB -0.507 40.050 40.800 -0.405 0.000 0.963 274 D HN 0.623 nan 8.370 nan 0.000 0.450 275 I N 0.532 120.714 120.570 -0.647 0.000 2.068 275 I HA -0.351 3.819 4.170 -0.000 0.000 0.238 275 I C 2.711 178.700 176.117 -0.213 0.000 1.046 275 I CA 1.493 62.410 61.300 -0.637 0.000 1.306 275 I CB -0.440 37.149 38.000 -0.685 0.000 1.023 275 I HN 0.134 nan 8.210 nan 0.000 0.399 276 Q N 0.083 119.781 119.800 -0.170 0.000 2.197 276 Q HA -0.256 4.084 4.340 -0.000 0.000 0.207 276 Q C 2.049 178.030 176.000 -0.033 0.000 0.984 276 Q CA 1.638 57.392 55.803 -0.082 0.000 0.869 276 Q CB -0.318 28.377 28.738 -0.072 0.000 0.906 276 Q HN 0.526 nan 8.270 nan 0.000 0.426 277 N N -0.003 118.714 118.700 0.028 0.000 2.083 277 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 277 N C 1.534 177.089 175.510 0.075 0.000 1.047 277 N CA 1.948 55.052 53.050 0.091 0.000 0.845 277 N CB -0.292 38.358 38.487 0.272 0.000 1.025 277 N HN 0.054 nan 8.380 nan 0.000 0.428 278 T N 2.215 116.854 114.554 0.142 0.000 2.649 278 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 278 T C 2.086 176.795 174.700 0.016 0.000 1.036 278 T CA 1.726 63.913 62.100 0.145 0.000 1.157 278 T CB -0.309 68.797 68.868 0.398 0.000 0.861 278 T HN 0.258 nan 8.240 nan 0.000 0.445 279 I N 1.214 121.804 120.570 0.033 0.000 2.090 279 I HA -0.146 4.024 4.170 -0.000 0.000 0.236 279 I C 2.107 178.203 176.117 -0.035 0.000 1.064 279 I CA 1.101 62.400 61.300 -0.002 0.000 1.324 279 I CB -0.418 37.586 38.000 0.007 0.000 1.044 279 I HN 0.406 nan 8.210 nan 0.000 0.399 280 C N 0.383 119.659 119.300 -0.040 0.000 2.694 280 C HA 0.682 5.142 4.460 -0.000 0.000 0.455 280 C C 1.260 176.218 174.990 -0.054 0.000 1.293 280 C CA -0.188 58.798 59.018 -0.054 0.000 1.614 280 C CB -1.689 26.009 27.740 -0.071 0.000 2.015 280 C HN 0.475 nan 8.230 nan 0.000 0.608 281 A N 0.090 122.868 122.820 -0.071 0.000 2.377 281 A HA 0.438 4.758 4.320 -0.000 0.000 0.174 281 A C 1.154 178.627 177.584 -0.185 0.000 1.663 281 A CA 0.172 52.155 52.037 -0.089 0.000 1.219 281 A CB 0.111 19.079 19.000 -0.055 0.000 1.499 281 A HN 0.522 nan 8.150 nan 0.000 0.481 282 L N -1.288 119.813 121.223 -0.203 0.000 3.154 282 L HA 0.177 4.517 4.340 -0.000 0.000 0.280 282 L C 1.541 178.333 176.870 -0.130 0.000 1.134 282 L CA 0.448 55.127 54.840 -0.269 0.000 1.037 282 L CB 0.360 42.126 42.059 -0.490 0.000 1.571 282 L HN 0.207 nan 8.230 nan 0.000 0.576 283 D N 1.890 122.244 120.400 -0.077 0.000 2.149 283 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 283 D C 1.707 178.004 176.300 -0.005 0.000 1.001 283 D CA 1.686 55.678 54.000 -0.013 0.000 0.849 283 D CB 0.322 41.115 40.800 -0.011 0.000 0.939 283 D HN 0.192 nan 8.370 nan 0.000 0.449 284 K N -0.658 119.723 120.400 -0.032 0.000 2.366 284 K HA 0.109 4.429 4.320 -0.000 0.000 0.198 284 K C 1.854 178.433 176.600 -0.035 0.000 1.044 284 K CA 0.525 56.793 56.287 -0.032 0.000 0.973 284 K CB 0.340 32.818 32.500 -0.036 0.000 0.767 284 K HN -0.070 nan 8.250 nan 0.000 0.475 285 S N -0.138 115.535 115.700 -0.045 0.000 2.524 285 S HA 0.167 4.637 4.470 -0.000 0.000 0.215 285 S C -0.439 174.168 174.600 0.012 0.000 0.986 285 S CA -0.403 57.767 58.200 -0.050 0.000 0.911 285 S CB 0.138 63.267 63.200 -0.118 0.000 0.805 285 S HN 0.176 nan 8.310 nan 0.000 0.501 286 F N 3.407 123.271 119.950 -0.143 0.000 2.449 286 F HA 0.486 5.013 4.527 -0.000 0.000 0.342 286 F C -2.804 172.938 175.800 -0.097 0.000 1.127 286 F CA -2.749 55.172 58.000 -0.132 0.000 0.975 286 F CB 0.861 39.761 39.000 -0.166 0.000 1.146 286 F HN -0.159 nan 8.300 nan 0.000 0.444 287 P HA -0.153 nan 4.420 nan 0.000 0.257 287 P C -0.890 176.185 177.300 -0.374 0.000 1.144 287 P CA 0.597 63.406 63.100 -0.485 0.000 0.761 287 P CB 0.238 31.476 31.700 -0.770 0.000 0.734 288 D N 2.706 123.008 120.400 -0.162 0.000 2.401 288 D HA -0.005 4.635 4.640 -0.000 0.000 0.254 288 D C 0.853 177.099 176.300 -0.090 0.000 1.192 288 D CA -0.226 53.726 54.000 -0.080 0.000 0.885 288 D CB 0.250 41.029 40.800 -0.036 0.000 1.147 288 D HN 0.434 nan 8.370 nan 0.000 0.478 289 C N 1.845 121.117 119.300 -0.047 0.000 2.935 289 C HA 0.644 5.104 4.460 -0.000 0.000 0.308 289 C C 1.694 176.689 174.990 0.009 0.000 1.263 289 C CA 0.326 59.327 59.018 -0.029 0.000 1.738 289 C CB -0.575 27.164 27.740 -0.002 0.000 2.237 289 C HN 0.743 nan 8.230 nan 0.000 0.600 290 G N 0.917 109.727 108.800 0.016 0.000 2.195 290 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.224 290 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.224 290 G C 0.119 175.037 174.900 0.029 0.000 0.990 290 G CA -0.155 44.956 45.100 0.018 0.000 0.639 290 G HN 0.668 nan 8.290 nan 0.000 0.514 291 R N 0.492 121.019 120.500 0.045 0.000 2.641 291 R HA 0.596 4.936 4.340 -0.000 0.000 0.269 291 R C 0.810 177.142 176.300 0.054 0.000 1.074 291 R CA 0.559 56.694 56.100 0.057 0.000 1.133 291 R CB 0.569 30.919 30.300 0.084 0.000 1.029 291 R HN 0.643 nan 8.270 nan 0.000 0.488 292 I N -2.228 118.374 120.570 0.053 0.000 2.846 292 I HA 0.675 4.845 4.170 -0.000 0.000 0.307 292 I C 0.751 176.904 176.117 0.060 0.000 1.053 292 I CA -0.623 60.706 61.300 0.050 0.000 1.050 292 I CB 1.928 39.950 38.000 0.038 0.000 1.239 292 I HN 0.751 nan 8.210 nan 0.000 0.439 293 G N 2.975 111.805 108.800 0.050 0.000 2.611 293 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.301 293 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.301 293 G C 0.804 175.737 174.900 0.055 0.000 1.233 293 G CA 0.798 45.918 45.100 0.033 0.000 0.993 293 G HN 1.484 nan 8.290 nan 0.000 0.553 294 G N -0.406 108.400 108.800 0.010 0.000 2.599 294 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 294 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 294 G C 1.545 176.557 174.900 0.187 0.000 1.193 294 G CA 1.903 47.027 45.100 0.041 0.000 0.778 294 G HN 0.884 nan 8.290 nan 0.000 0.589 295 E N -0.322 119.961 120.200 0.139 0.000 2.058 295 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 295 E C 2.631 179.349 176.600 0.197 0.000 0.997 295 E CA 1.050 57.556 56.400 0.177 0.000 0.801 295 E CB -0.114 29.663 29.700 0.127 0.000 0.746 295 E HN 0.242 nan 8.360 nan 0.000 0.450 296 R N 0.532 121.121 120.500 0.148 0.000 2.127 296 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 296 R C 2.064 178.439 176.300 0.126 0.000 1.134 296 R CA 1.442 57.616 56.100 0.123 0.000 0.975 296 R CB -0.795 29.561 30.300 0.093 0.000 0.865 296 R HN 0.334 nan 8.270 nan 0.000 0.447 297 Y N -0.388 119.943 120.300 0.053 0.000 2.114 297 Y HA -0.188 4.362 4.550 0.000 0.000 0.284 297 Y C 1.844 177.807 175.900 0.106 0.000 1.143 297 Y CA 1.980 60.110 58.100 0.051 0.000 1.135 297 Y CB -0.904 37.567 38.460 0.018 0.000 0.980 297 Y HN 0.111 nan 8.280 nan 0.000 0.499 298 F N 0.914 120.731 119.950 -0.222 0.000 2.171 298 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 298 F C 2.363 178.075 175.800 -0.148 0.000 1.090 298 F CA 1.463 59.295 58.000 -0.279 0.000 1.293 298 F CB -0.868 38.128 39.000 -0.007 0.000 1.013 298 F HN 0.180 nan 8.300 nan 0.000 0.486 299 A N 0.565 123.382 122.820 -0.005 0.000 1.877 299 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 299 A C 2.306 179.757 177.584 -0.223 0.000 1.186 299 A CA 2.041 54.060 52.037 -0.029 0.000 0.620 299 A CB -1.158 17.909 19.000 0.113 0.000 0.822 299 A HN 0.472 nan 8.150 nan 0.000 0.443 300 I N -0.496 119.872 120.570 -0.337 0.000 2.315 300 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 300 I C 2.542 178.427 176.117 -0.386 0.000 1.117 300 I CA 1.559 62.469 61.300 -0.650 0.000 1.404 300 I CB -0.600 37.094 38.000 -0.510 0.000 1.071 300 I HN 0.274 nan 8.210 nan 0.000 0.419 301 T N 1.006 115.353 114.554 -0.344 0.000 2.652 301 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 301 T C 2.066 176.633 174.700 -0.222 0.000 1.039 301 T CA 1.650 63.560 62.100 -0.316 0.000 1.153 301 T CB -0.400 68.052 68.868 -0.693 0.000 0.863 301 T HN 0.475 nan 8.240 nan 0.000 0.428 302 A N 1.181 123.784 122.820 -0.363 0.000 2.015 302 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 302 A C 2.569 180.180 177.584 0.045 0.000 1.163 302 A CA 1.705 53.637 52.037 -0.174 0.000 0.646 302 A CB -1.166 17.662 19.000 -0.286 0.000 0.806 302 A HN 0.530 nan 8.150 nan 0.000 0.448 303 G N -0.778 107.990 108.800 -0.052 0.000 2.408 303 G HA2 0.076 4.036 3.960 -0.000 0.000 0.215 303 G HA3 0.076 4.036 3.960 -0.000 0.000 0.215 303 G C 1.347 176.268 174.900 0.035 0.000 1.156 303 G CA 1.032 46.171 45.100 0.066 0.000 0.793 303 G HN 0.443 nan 8.290 nan 0.000 0.535 304 L N -0.993 120.199 121.223 -0.053 0.000 2.717 304 L HA 0.369 4.709 4.340 -0.000 0.000 0.239 304 L C 0.608 177.553 176.870 0.126 0.000 1.086 304 L CA -0.328 54.550 54.840 0.063 0.000 0.897 304 L CB 0.401 42.508 42.059 0.080 0.000 1.214 304 L HN -0.146 nan 8.230 nan 0.000 0.508 305 R N 2.112 122.645 120.500 0.056 0.000 2.419 305 R HA 0.261 4.601 4.340 -0.000 0.000 0.305 305 R C 0.751 177.067 176.300 0.026 0.000 1.242 305 R CA 0.051 56.158 56.100 0.011 0.000 1.105 305 R CB 0.410 30.651 30.300 -0.097 0.000 1.116 305 R HN 0.315 nan 8.270 nan 0.000 0.523 306 L N 0.467 121.687 121.223 -0.004 0.000 2.375 306 L HA -0.023 4.317 4.340 -0.000 0.000 0.215 306 L C 0.991 177.800 176.870 -0.101 0.000 1.108 306 L CA 0.471 55.206 54.840 -0.175 0.000 0.830 306 L CB -0.178 41.759 42.059 -0.203 0.000 0.959 306 L HN 0.417 nan 8.230 nan 0.000 0.457 307 D N 0.352 120.788 120.400 0.060 0.000 2.423 307 D HA 0.135 4.775 4.640 -0.000 0.000 0.255 307 D C -0.051 176.302 176.300 0.089 0.000 1.174 307 D CA -0.525 53.517 54.000 0.070 0.000 1.008 307 D CB 0.691 41.568 40.800 0.129 0.000 1.101 307 D HN 0.141 nan 8.370 nan 0.000 0.516 308 Q N -0.301 119.553 119.800 0.090 0.000 2.166 308 Q HA 0.508 4.848 4.340 -0.000 0.000 0.226 308 Q C 0.740 176.808 176.000 0.114 0.000 0.989 308 Q CA -1.225 54.686 55.803 0.181 0.000 0.966 308 Q CB 0.225 29.042 28.738 0.132 0.000 1.173 308 Q HN 0.553 nan 8.270 nan 0.000 0.509 309 G N 0.248 109.106 108.800 0.096 0.000 2.785 309 G HA2 0.009 3.969 3.960 -0.000 0.000 0.256 309 G HA3 0.009 3.969 3.960 -0.000 0.000 0.256 309 G C -0.572 174.330 174.900 0.004 0.000 1.248 309 G CA -0.459 44.655 45.100 0.023 0.000 0.914 309 G HN 0.574 nan 8.290 nan 0.000 0.580 310 R N 0.075 120.554 120.500 -0.035 0.000 2.664 310 R HA 0.457 4.797 4.340 -0.000 0.000 0.281 310 R C 1.195 177.447 176.300 -0.080 0.000 1.383 310 R CA 0.670 56.743 56.100 -0.045 0.000 1.563 310 R CB -0.286 29.985 30.300 -0.048 0.000 1.131 310 R HN 1.107 nan 8.270 nan 0.000 0.599 311 G N 3.609 112.375 108.800 -0.057 0.000 5.431 311 G HA2 -0.524 3.436 3.960 -0.000 0.000 0.322 311 G HA3 -0.524 3.436 3.960 -0.000 0.000 0.322 311 G C 1.094 175.922 174.900 -0.120 0.000 1.370 311 G CA 0.557 45.614 45.100 -0.071 0.000 0.963 311 G HN 0.618 nan 8.290 nan 0.000 0.797 312 R N 1.367 121.712 120.500 -0.260 0.000 2.105 312 R HA 0.343 4.683 4.340 -0.000 0.000 0.239 312 R C 1.439 177.583 176.300 -0.259 0.000 1.135 312 R CA 1.918 57.727 56.100 -0.485 0.000 0.967 312 R CB -0.491 29.219 30.300 -0.983 0.000 0.861 312 R HN 2.099 nan 8.270 nan 0.000 0.442 313 G N -0.668 108.032 108.800 -0.167 0.000 2.356 313 G HA2 0.103 4.063 3.960 -0.000 0.000 0.300 313 G HA3 0.103 4.063 3.960 -0.000 0.000 0.300 313 G C -0.446 174.421 174.900 -0.055 0.000 1.331 313 G CA -0.335 44.734 45.100 -0.052 0.000 0.905 313 G HN 0.063 nan 8.290 nan 0.000 0.587 314 L N 0.562 121.769 121.223 -0.026 0.000 2.005 314 L HA 0.578 4.918 4.340 -0.000 0.000 0.207 314 L C 1.820 178.644 176.870 -0.076 0.000 1.072 314 L CA 2.892 57.690 54.840 -0.070 0.000 0.744 314 L CB -0.466 41.507 42.059 -0.144 0.000 0.895 314 L HN 1.451 nan 8.230 nan 0.000 0.433 315 A N -1.031 121.765 122.820 -0.040 0.000 2.277 315 A HA 0.597 4.917 4.320 -0.000 0.000 0.318 315 A C 0.861 178.446 177.584 0.002 0.000 1.339 315 A CA -0.082 51.943 52.037 -0.021 0.000 0.875 315 A CB -0.301 18.696 19.000 -0.006 0.000 1.158 315 A HN 0.786 nan 8.150 nan 0.000 0.514 316 G N 1.895 110.693 108.800 -0.003 0.000 2.660 316 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.321 316 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.321 316 G C 0.598 175.462 174.900 -0.060 0.000 1.246 316 G CA 1.320 46.429 45.100 0.016 0.000 1.000 316 G HN 0.933 nan 8.290 nan 0.000 0.550 317 W N 2.990 124.319 121.300 0.047 0.000 3.278 317 W HA 0.368 5.028 4.660 0.000 0.000 0.308 317 W C 1.753 178.333 176.519 0.101 0.000 1.253 317 W CA 0.377 57.768 57.345 0.077 0.000 1.759 317 W CB 0.218 29.736 29.460 0.097 0.000 1.093 317 W HN 0.650 nan 8.180 nan 0.000 0.648 318 R N -0.314 120.332 120.500 0.243 0.000 2.664 318 R HA 0.716 5.056 4.340 -0.000 0.000 0.286 318 R C -0.727 175.671 176.300 0.163 0.000 0.967 318 R CA -0.549 55.695 56.100 0.239 0.000 0.933 318 R CB 1.270 31.661 30.300 0.151 0.000 1.146 318 R HN -0.280 nan 8.270 nan 0.000 0.468 319 T N 3.782 118.473 114.554 0.228 0.000 2.930 319 T HA 0.339 4.689 4.350 -0.000 0.000 0.313 319 T C -2.614 172.258 174.700 0.287 0.000 1.019 319 T CA -1.430 60.786 62.100 0.194 0.000 1.004 319 T CB 1.754 70.731 68.868 0.182 0.000 0.987 319 T HN 0.466 nan 8.240 nan 0.000 0.456 320 P HA 0.419 nan 4.420 nan 0.000 0.272 320 P C -0.910 176.628 177.300 0.397 0.000 1.223 320 P CA -0.427 62.846 63.100 0.288 0.000 0.784 320 P CB 0.275 32.245 31.700 0.451 0.000 0.923 321 F N -1.654 118.427 119.950 0.218 0.000 2.591 321 F HA 0.761 5.288 4.527 -0.000 0.000 0.309 321 F C 0.384 176.039 175.800 -0.243 0.000 1.098 321 F CA -1.145 56.938 58.000 0.138 0.000 0.937 321 F CB 0.632 39.698 39.000 0.111 0.000 1.250 321 F HN 0.368 nan 8.300 nan 0.000 0.447 322 G N 1.086 109.798 108.800 -0.146 0.000 2.525 322 G HA2 0.514 4.474 3.960 -0.000 0.000 0.276 322 G HA3 0.514 4.474 3.960 -0.000 0.000 0.276 322 G C -2.844 172.095 174.900 0.065 0.000 1.388 322 G CA -1.490 43.383 45.100 -0.379 0.000 1.050 322 G HN 0.542 nan 8.290 nan 0.000 0.520 323 P HA 0.304 nan 4.420 nan 0.000 0.274 323 P C -0.345 177.066 177.300 0.185 0.000 1.246 323 P CA -0.412 62.705 63.100 0.027 0.000 0.795 323 P CB 0.154 31.804 31.700 -0.082 0.000 1.006 324 F N -1.165 118.848 119.950 0.105 0.000 3.093 324 F HA -0.199 4.328 4.527 0.000 0.000 0.283 324 F C 1.321 177.165 175.800 0.073 0.000 0.848 324 F CA 1.075 59.114 58.000 0.065 0.000 1.059 324 F CB -2.711 36.310 39.000 0.036 0.000 1.191 324 F HN 0.659 nan 8.300 nan 0.000 0.514 325 G N -0.070 108.863 108.800 0.222 0.000 2.314 325 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.292 325 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.292 325 G C -0.171 174.819 174.900 0.150 0.000 1.059 325 G CA -0.064 45.081 45.100 0.075 0.000 0.982 325 G HN 0.707 nan 8.290 nan 0.000 0.505 326 V N 0.379 120.459 119.914 0.277 0.000 2.509 326 V HA 0.636 4.756 4.120 -0.000 0.000 0.284 326 V C 1.254 177.566 176.094 0.364 0.000 1.047 326 V CA 0.029 62.497 62.300 0.279 0.000 0.952 326 V CB 1.642 33.638 31.823 0.289 0.000 0.988 326 V HN 0.855 nan 8.190 nan 0.000 0.469 327 S N 3.206 119.085 115.700 0.300 0.000 2.568 327 S HA -0.007 4.463 4.470 -0.000 0.000 0.282 327 S C 1.474 176.313 174.600 0.398 0.000 1.338 327 S CA 0.144 58.546 58.200 0.337 0.000 1.045 327 S CB 0.316 63.638 63.200 0.204 0.000 0.873 327 S HN 0.992 nan 8.310 nan 0.000 0.516 328 H N 3.090 122.348 119.070 0.313 0.000 2.457 328 H HA -0.033 4.523 4.556 0.000 0.000 0.294 328 H C 1.484 176.847 175.328 0.058 0.000 1.064 328 H CA 1.886 58.003 56.048 0.114 0.000 1.330 328 H CB -1.251 28.440 29.762 -0.117 0.000 1.395 328 H HN 0.637 nan 8.280 nan 0.000 0.541 329 T N 1.623 115.852 114.554 -0.542 0.000 2.770 329 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 329 T C 1.469 176.162 174.700 -0.012 0.000 1.039 329 T CA 1.314 63.196 62.100 -0.364 0.000 1.142 329 T CB -0.153 68.530 68.868 -0.308 0.000 0.868 329 T HN 0.384 nan 8.240 nan 0.000 0.435 330 D N 1.128 121.563 120.400 0.060 0.000 2.123 330 D HA -0.071 4.569 4.640 -0.000 0.000 0.196 330 D C 2.286 178.692 176.300 0.176 0.000 0.992 330 D CA 0.674 54.751 54.000 0.128 0.000 0.833 330 D CB -0.626 40.259 40.800 0.142 0.000 0.954 330 D HN 0.199 nan 8.370 nan 0.000 0.455 331 V N 1.111 121.154 119.914 0.216 0.000 2.255 331 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 331 V C 2.231 178.440 176.094 0.191 0.000 1.051 331 V CA 1.582 64.031 62.300 0.249 0.000 1.018 331 V CB -0.703 31.325 31.823 0.342 0.000 0.641 331 V HN 0.107 nan 8.190 nan 0.000 0.445 332 F N 0.419 120.376 119.950 0.012 0.000 2.126 332 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 332 F C 2.614 178.424 175.800 0.017 0.000 1.096 332 F CA 2.340 60.338 58.000 -0.003 0.000 1.255 332 F CB -0.196 38.774 39.000 -0.050 0.000 0.997 332 F HN 0.118 nan 8.300 nan 0.000 0.479 333 Q N 0.416 120.380 119.800 0.273 0.000 2.084 333 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 333 Q C 2.360 178.386 176.000 0.043 0.000 0.978 333 Q CA 2.146 58.052 55.803 0.171 0.000 0.844 333 Q CB -0.140 28.694 28.738 0.160 0.000 0.898 333 Q HN 0.571 nan 8.270 nan 0.000 0.426 334 R N -0.586 119.955 120.500 0.069 0.000 2.173 334 R HA 0.018 4.358 4.340 -0.000 0.000 0.208 334 R C 2.063 178.333 176.300 -0.050 0.000 1.035 334 R CA 0.477 56.613 56.100 0.059 0.000 1.004 334 R CB -0.320 30.089 30.300 0.182 0.000 0.917 334 R HN 0.233 nan 8.270 nan 0.000 0.462 335 L N 1.339 122.518 121.223 -0.074 0.000 2.156 335 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 335 L C 2.753 179.491 176.870 -0.220 0.000 1.095 335 L CA 1.260 56.007 54.840 -0.154 0.000 0.770 335 L CB -0.352 41.650 42.059 -0.096 0.000 0.914 335 L HN 0.372 nan 8.230 nan 0.000 0.439 336 E N 0.631 120.652 120.200 -0.297 0.000 2.017 336 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 336 E C 2.231 178.739 176.600 -0.152 0.000 0.997 336 E CA 1.511 57.737 56.400 -0.290 0.000 0.804 336 E CB -0.103 29.380 29.700 -0.361 0.000 0.757 336 E HN 0.270 nan 8.360 nan 0.000 0.448 337 L N 1.200 122.356 121.223 -0.112 0.000 2.051 337 L HA -0.215 4.125 4.340 -0.000 0.000 0.214 337 L C 2.359 179.170 176.870 -0.099 0.000 1.076 337 L CA 1.696 56.492 54.840 -0.073 0.000 0.758 337 L CB -0.751 41.283 42.059 -0.041 0.000 0.890 337 L HN 0.309 nan 8.230 nan 0.000 0.433 338 L N -0.332 120.800 121.223 -0.151 0.000 2.023 338 L HA 0.113 4.453 4.340 -0.000 0.000 0.205 338 L C 2.374 179.128 176.870 -0.193 0.000 1.073 338 L CA 2.014 56.738 54.840 -0.194 0.000 0.745 338 L CB -1.394 40.480 42.059 -0.308 0.000 0.900 338 L HN 0.283 nan 8.230 nan 0.000 0.435 339 G N -1.170 107.530 108.800 -0.167 0.000 2.448 339 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 339 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 339 G C 1.409 176.263 174.900 -0.077 0.000 1.127 339 G CA 0.767 45.784 45.100 -0.138 0.000 0.766 339 G HN 0.499 nan 8.290 nan 0.000 0.552 340 D N 1.139 121.502 120.400 -0.062 0.000 2.144 340 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 340 D C 2.661 178.949 176.300 -0.020 0.000 0.984 340 D CA 1.222 55.213 54.000 -0.014 0.000 0.834 340 D CB -0.127 40.662 40.800 -0.019 0.000 0.955 340 D HN 0.267 nan 8.370 nan 0.000 0.465 341 A N 0.443 123.222 122.820 -0.069 0.000 1.930 341 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 341 A C 2.418 179.956 177.584 -0.076 0.000 1.176 341 A CA 1.557 53.550 52.037 -0.073 0.000 0.632 341 A CB -0.522 18.410 19.000 -0.114 0.000 0.819 341 A HN 0.269 nan 8.150 nan 0.000 0.445 342 V N -2.571 117.245 119.914 -0.164 0.000 3.406 342 V HA 0.048 4.168 4.120 -0.000 0.000 0.263 342 V C 1.991 178.093 176.094 0.014 0.000 1.172 342 V CA 1.348 63.549 62.300 -0.165 0.000 1.140 342 V CB -0.400 31.074 31.823 -0.581 0.000 0.784 342 V HN 0.297 nan 8.190 nan 0.000 0.467 343 L N 2.571 123.819 121.223 0.041 0.000 2.095 343 L HA 0.349 4.689 4.340 -0.000 0.000 0.204 343 L C 2.416 179.361 176.870 0.125 0.000 1.080 343 L CA 2.290 57.207 54.840 0.127 0.000 0.759 343 L CB -1.285 40.873 42.059 0.166 0.000 0.914 343 L HN 0.287 nan 8.230 nan 0.000 0.439 344 G N -0.812 108.047 108.800 0.098 0.000 2.446 344 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.217 344 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.217 344 G C 1.562 176.537 174.900 0.126 0.000 1.168 344 G CA 1.038 46.197 45.100 0.099 0.000 0.771 344 G HN 0.470 nan 8.290 nan 0.000 0.551 345 F N 1.393 121.345 119.950 0.004 0.000 2.084 345 F HA 0.049 4.576 4.527 -0.000 0.000 0.296 345 F C 2.503 178.328 175.800 0.041 0.000 1.111 345 F CA 1.146 59.154 58.000 0.013 0.000 1.224 345 F CB -0.382 38.605 39.000 -0.022 0.000 0.991 345 F HN 0.101 nan 8.300 nan 0.000 0.471 346 I N -0.263 120.197 120.570 -0.182 0.000 2.151 346 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 346 I C 2.344 178.382 176.117 -0.131 0.000 1.080 346 I CA 1.426 62.594 61.300 -0.220 0.000 1.339 346 I CB -0.684 37.366 38.000 0.084 0.000 1.039 346 I HN 0.049 nan 8.210 nan 0.000 0.409 347 V N 0.447 120.396 119.914 0.057 0.000 2.295 347 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 347 V C 2.498 178.597 176.094 0.008 0.000 1.049 347 V CA 2.539 64.945 62.300 0.178 0.000 1.024 347 V CB -0.893 31.069 31.823 0.232 0.000 0.648 347 V HN 0.493 nan 8.190 nan 0.000 0.447 348 T N 0.465 114.985 114.554 -0.058 0.000 2.684 348 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 348 T C 2.043 176.636 174.700 -0.180 0.000 1.036 348 T CA 1.731 63.780 62.100 -0.084 0.000 1.148 348 T CB -0.485 68.358 68.868 -0.042 0.000 0.863 348 T HN 0.572 nan 8.240 nan 0.000 0.436 349 A N 1.651 124.285 122.820 -0.310 0.000 1.933 349 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 349 A C 2.427 179.846 177.584 -0.276 0.000 1.175 349 A CA 1.057 52.925 52.037 -0.280 0.000 0.628 349 A CB -0.308 18.456 19.000 -0.394 0.000 0.814 349 A HN 0.194 nan 8.150 nan 0.000 0.444 350 R N -0.482 119.754 120.500 -0.441 0.000 2.075 350 R HA 0.094 4.434 4.340 -0.000 0.000 0.226 350 R C 2.092 178.063 176.300 -0.548 0.000 1.114 350 R CA 0.890 56.558 56.100 -0.720 0.000 0.972 350 R CB -0.959 28.412 30.300 -1.548 0.000 0.869 350 R HN 0.562 nan 8.270 nan 0.000 0.437 351 L N 0.586 121.617 121.223 -0.320 0.000 2.079 351 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 351 L C 2.310 179.175 176.870 -0.008 0.000 1.081 351 L CA 0.706 55.539 54.840 -0.011 0.000 0.752 351 L CB -0.448 41.688 42.059 0.128 0.000 0.896 351 L HN 0.096 nan 8.230 nan 0.000 0.433 352 L N -0.757 120.401 121.223 -0.108 0.000 2.189 352 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 352 L C 2.290 179.133 176.870 -0.044 0.000 1.097 352 L CA 1.719 56.469 54.840 -0.150 0.000 0.764 352 L CB -0.566 41.311 42.059 -0.304 0.000 0.900 352 L HN 0.350 nan 8.230 nan 0.000 0.436 353 C N -2.799 116.453 119.300 -0.080 0.000 2.535 353 C HA 0.139 4.599 4.460 -0.000 0.000 0.310 353 C C 2.460 177.332 174.990 -0.198 0.000 1.344 353 C CA -0.139 58.828 59.018 -0.085 0.000 1.831 353 C CB -0.431 27.242 27.740 -0.112 0.000 2.284 353 C HN 0.525 nan 8.230 nan 0.000 0.523 354 L N 0.310 121.356 121.223 -0.296 0.000 2.083 354 L HA 0.096 4.436 4.340 -0.000 0.000 0.209 354 L C 0.083 176.557 176.870 -0.660 0.000 1.083 354 L CA 2.068 56.615 54.840 -0.489 0.000 0.752 354 L CB -0.434 41.306 42.059 -0.531 0.000 0.899 354 L HN 0.257 nan 8.230 nan 0.000 0.433 355 F N 0.857 120.784 119.950 -0.039 0.000 2.371 355 F HA 0.417 4.944 4.527 0.000 0.000 0.343 355 F C -1.550 174.228 175.800 -0.036 0.000 1.150 355 F CA -2.128 55.856 58.000 -0.026 0.000 1.220 355 F CB 0.202 39.192 39.000 -0.018 0.000 1.475 355 F HN -0.014 nan 8.300 nan 0.000 0.521 356 P HA -0.108 nan 4.420 nan 0.000 0.229 356 P C 0.833 178.161 177.300 0.046 0.000 1.160 356 P CA 1.193 64.227 63.100 -0.109 0.000 0.777 356 P CB 0.519 31.898 31.700 -0.534 0.000 0.814 357 D N -0.234 120.295 120.400 0.215 0.000 2.338 357 D HA 0.145 4.785 4.640 -0.000 0.000 0.208 357 D C 0.701 177.115 176.300 0.190 0.000 0.997 357 D CA -0.021 54.176 54.000 0.328 0.000 0.880 357 D CB -0.269 40.720 40.800 0.316 0.000 0.980 357 D HN -0.048 nan 8.370 nan 0.000 0.509 358 A N 0.468 123.375 122.820 0.146 0.000 2.609 358 A HA 0.275 4.595 4.320 -0.000 0.000 0.232 358 A C 0.770 178.382 177.584 0.047 0.000 1.041 358 A CA 0.455 52.533 52.037 0.069 0.000 0.753 358 A CB -0.121 18.902 19.000 0.039 0.000 0.966 358 A HN 0.392 nan 8.150 nan 0.000 0.510 359 S N 1.492 117.201 115.700 0.015 0.000 2.600 359 S HA 0.259 4.729 4.470 -0.000 0.000 0.265 359 S C 1.116 175.710 174.600 -0.009 0.000 1.325 359 S CA -0.239 57.966 58.200 0.007 0.000 1.002 359 S CB 1.078 64.275 63.200 -0.006 0.000 0.921 359 S HN 0.806 nan 8.310 nan 0.000 0.554 360 V N 2.620 122.529 119.914 -0.009 0.000 2.392 360 V HA -0.101 4.019 4.120 -0.000 0.000 0.249 360 V C 2.691 178.775 176.094 -0.016 0.000 1.059 360 V CA 2.325 64.615 62.300 -0.015 0.000 1.051 360 V CB -1.855 29.967 31.823 -0.002 0.000 0.658 360 V HN 1.088 nan 8.190 nan 0.000 0.455 361 G N 0.693 109.484 108.800 -0.015 0.000 2.628 361 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.217 361 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.217 361 G C 1.760 176.641 174.900 -0.033 0.000 1.240 361 G CA 2.163 47.251 45.100 -0.020 0.000 0.792 361 G HN 0.577 nan 8.290 nan 0.000 0.593 362 T N -0.624 113.902 114.554 -0.046 0.000 2.995 362 T HA 0.140 4.490 4.350 -0.000 0.000 0.269 362 T C 2.433 177.082 174.700 -0.085 0.000 1.091 362 T CA 0.978 63.033 62.100 -0.074 0.000 1.128 362 T CB -0.157 68.653 68.868 -0.097 0.000 0.891 362 T HN 0.168 nan 8.240 nan 0.000 0.492 363 L N 0.654 121.841 121.223 -0.060 0.000 1.970 363 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 363 L C 2.952 179.801 176.870 -0.034 0.000 1.071 363 L CA 1.274 56.086 54.840 -0.047 0.000 0.751 363 L CB -0.660 41.378 42.059 -0.035 0.000 0.889 363 L HN 0.159 nan 8.230 nan 0.000 0.432 364 V N -0.134 119.765 119.914 -0.025 0.000 2.252 364 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 364 V C 2.363 178.444 176.094 -0.022 0.000 1.056 364 V CA 2.173 64.465 62.300 -0.013 0.000 1.022 364 V CB -0.649 31.170 31.823 -0.006 0.000 0.641 364 V HN 0.479 nan 8.190 nan 0.000 0.445 365 E N -0.097 120.081 120.200 -0.037 0.000 2.086 365 E HA -0.263 4.087 4.350 -0.000 0.000 0.200 365 E C 2.170 178.733 176.600 -0.061 0.000 1.012 365 E CA 1.764 58.135 56.400 -0.049 0.000 0.812 365 E CB -0.287 29.376 29.700 -0.062 0.000 0.743 365 E HN 0.531 nan 8.360 nan 0.000 0.453 366 L N 0.713 121.887 121.223 -0.080 0.000 2.109 366 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 366 L C 2.625 179.478 176.870 -0.029 0.000 1.086 366 L CA 0.933 55.718 54.840 -0.092 0.000 0.760 366 L CB -0.400 41.564 42.059 -0.158 0.000 0.910 366 L HN 0.084 nan 8.230 nan 0.000 0.437 367 K N 0.457 120.858 120.400 0.001 0.000 1.991 367 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 367 K C 2.152 178.763 176.600 0.018 0.000 1.049 367 K CA 1.522 57.831 56.287 0.035 0.000 0.932 367 K CB -0.048 32.473 32.500 0.035 0.000 0.717 367 K HN 0.123 nan 8.250 nan 0.000 0.441 368 M N 0.910 120.511 119.600 0.001 0.000 2.530 368 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 368 M C 1.585 177.875 176.300 -0.017 0.000 1.067 368 M CA 1.366 56.663 55.300 -0.005 0.000 1.071 368 M CB -0.677 31.917 32.600 -0.010 0.000 1.405 368 M HN 0.250 nan 8.290 nan 0.000 0.478 369 E N 0.069 120.252 120.200 -0.027 0.000 2.385 369 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 369 E C 1.708 178.284 176.600 -0.040 0.000 1.013 369 E CA 0.463 56.837 56.400 -0.042 0.000 0.866 369 E CB 0.219 29.881 29.700 -0.063 0.000 0.832 369 E HN 0.498 nan 8.360 nan 0.000 0.500 370 L N -1.091 120.120 121.223 -0.021 0.000 2.575 370 L HA 0.150 4.490 4.340 -0.000 0.000 0.228 370 L C 1.379 178.225 176.870 -0.040 0.000 1.075 370 L CA 0.068 54.893 54.840 -0.024 0.000 0.867 370 L CB 0.632 42.705 42.059 0.022 0.000 1.097 370 L HN -0.013 nan 8.230 nan 0.000 0.485 371 V N -0.953 118.954 119.914 -0.012 0.000 3.590 371 V HA 0.083 4.203 4.120 -0.000 0.000 0.265 371 V C 1.317 177.402 176.094 -0.015 0.000 1.239 371 V CA -0.103 62.193 62.300 -0.007 0.000 1.117 371 V CB -0.325 31.517 31.823 0.031 0.000 0.818 371 V HN 0.272 nan 8.190 nan 0.000 0.451 372 R N 2.055 122.543 120.500 -0.019 0.000 2.566 372 R HA -0.108 4.232 4.340 -0.000 0.000 0.273 372 R C 1.801 178.093 176.300 -0.013 0.000 0.981 372 R CA 0.440 56.531 56.100 -0.015 0.000 1.091 372 R CB 0.066 30.352 30.300 -0.024 0.000 0.924 372 R HN 0.383 nan 8.270 nan 0.000 0.411 373 N N 2.967 121.670 118.700 0.004 0.000 2.018 373 N HA -0.250 4.490 4.740 -0.000 0.000 0.196 373 N C 0.678 176.203 175.510 0.024 0.000 1.043 373 N CA 2.267 55.330 53.050 0.022 0.000 0.856 373 N CB 0.013 38.517 38.487 0.027 0.000 1.042 373 N HN 0.585 nan 8.380 nan 0.000 0.423 374 E N 0.485 120.693 120.200 0.013 0.000 2.164 374 E HA -0.211 4.139 4.350 -0.000 0.000 0.206 374 E C 1.859 178.473 176.600 0.025 0.000 1.032 374 E CA 2.012 58.421 56.400 0.014 0.000 0.832 374 E CB -0.530 29.163 29.700 -0.011 0.000 0.742 374 E HN 0.568 nan 8.360 nan 0.000 0.460 375 A N -0.060 122.758 122.820 -0.003 0.000 1.855 375 A HA -0.020 4.300 4.320 -0.000 0.000 0.213 375 A C 2.223 179.795 177.584 -0.020 0.000 1.195 375 A CA 0.907 52.936 52.037 -0.013 0.000 0.610 375 A CB -0.553 18.411 19.000 -0.061 0.000 0.837 375 A HN 0.184 nan 8.150 nan 0.000 0.444 376 L N 0.092 121.260 121.223 -0.093 0.000 2.083 376 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 376 L C 2.500 179.362 176.870 -0.014 0.000 1.083 376 L CA 1.372 56.093 54.840 -0.198 0.000 0.752 376 L CB -0.696 41.261 42.059 -0.171 0.000 0.899 376 L HN 0.496 nan 8.230 nan 0.000 0.433 377 N N -0.132 118.620 118.700 0.086 0.000 2.192 377 N HA -0.272 4.468 4.740 -0.000 0.000 0.188 377 N C 1.841 177.473 175.510 0.202 0.000 1.013 377 N CA 1.600 54.758 53.050 0.181 0.000 0.863 377 N CB -0.007 38.582 38.487 0.170 0.000 0.990 377 N HN 0.435 nan 8.380 nan 0.000 0.430 378 Y N 0.887 121.209 120.300 0.038 0.000 2.365 378 Y HA 0.138 4.688 4.550 0.000 0.000 0.293 378 Y C 2.153 178.078 175.900 0.042 0.000 1.119 378 Y CA 0.626 58.748 58.100 0.038 0.000 1.203 378 Y CB -0.310 38.144 38.460 -0.010 0.000 1.026 378 Y HN -0.052 nan 8.280 nan 0.000 0.549 379 L N -0.801 120.309 121.223 -0.190 0.000 2.093 379 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 379 L C 2.283 179.121 176.870 -0.054 0.000 1.085 379 L CA 1.006 55.720 54.840 -0.210 0.000 0.755 379 L CB -0.734 41.213 42.059 -0.187 0.000 0.904 379 L HN 0.117 nan 8.230 nan 0.000 0.435 380 V N -0.539 119.408 119.914 0.055 0.000 2.515 380 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 380 V C 2.586 178.679 176.094 -0.001 0.000 1.058 380 V CA 1.372 63.728 62.300 0.093 0.000 1.064 380 V CB -0.466 31.443 31.823 0.144 0.000 0.675 380 V HN 0.479 nan 8.190 nan 0.000 0.461 381 Q N 0.422 120.213 119.800 -0.014 0.000 2.084 381 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 381 Q C 2.529 178.480 176.000 -0.080 0.000 0.978 381 Q CA 2.326 58.121 55.803 -0.012 0.000 0.844 381 Q CB -0.884 27.887 28.738 0.055 0.000 0.898 381 Q HN 0.846 nan 8.270 nan 0.000 0.426 382 T N -0.865 113.566 114.554 -0.204 0.000 2.821 382 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 382 T C 2.019 176.661 174.700 -0.096 0.000 1.046 382 T CA 0.581 62.571 62.100 -0.183 0.000 1.139 382 T CB -0.394 68.295 68.868 -0.298 0.000 0.871 382 T HN 0.123 nan 8.240 nan 0.000 0.454 383 L N 0.979 122.163 121.223 -0.065 0.000 2.456 383 L HA 0.180 4.520 4.340 -0.000 0.000 0.224 383 L C 2.096 178.950 176.870 -0.027 0.000 1.148 383 L CA 0.764 55.588 54.840 -0.025 0.000 0.825 383 L CB -0.982 41.093 42.059 0.027 0.000 0.937 383 L HN 0.671 nan 8.230 nan 0.000 0.450 384 G N -0.176 108.605 108.800 -0.032 0.000 2.176 384 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 384 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 384 G C 0.748 175.626 174.900 -0.036 0.000 1.024 384 G CA 0.365 45.450 45.100 -0.024 0.000 0.755 384 G HN 0.348 nan 8.290 nan 0.000 0.507 385 L N -0.792 120.398 121.223 -0.055 0.000 2.179 385 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 385 L C 0.324 177.093 176.870 -0.168 0.000 1.096 385 L CA 1.067 55.864 54.840 -0.071 0.000 0.779 385 L CB -1.050 40.990 42.059 -0.032 0.000 0.922 385 L HN 0.160 nan 8.230 nan 0.000 0.443 386 P HA -0.184 nan 4.420 nan 0.000 0.215 386 P C 1.344 178.600 177.300 -0.074 0.000 1.153 386 P CA 1.163 64.032 63.100 -0.386 0.000 0.853 386 P CB 0.068 31.596 31.700 -0.286 0.000 0.788 387 Q N -0.688 119.118 119.800 0.009 0.000 2.135 387 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 387 Q C 2.062 178.166 176.000 0.173 0.000 0.981 387 Q CA 1.362 57.225 55.803 0.101 0.000 0.856 387 Q CB -1.090 27.710 28.738 0.105 0.000 0.902 387 Q HN 0.300 nan 8.270 nan 0.000 0.425 388 L N -0.695 120.577 121.223 0.080 0.000 2.270 388 L HA 0.225 4.565 4.340 -0.000 0.000 0.210 388 L C 0.850 177.801 176.870 0.136 0.000 1.104 388 L CA -0.101 54.763 54.840 0.039 0.000 0.804 388 L CB -0.514 41.399 42.059 -0.244 0.000 0.937 388 L HN -0.000 nan 8.230 nan 0.000 0.450 389 A N 1.009 123.879 122.820 0.084 0.000 2.511 389 A HA 0.202 4.522 4.320 -0.000 0.000 0.242 389 A C -0.077 177.665 177.584 0.265 0.000 1.069 389 A CA 0.213 52.333 52.037 0.138 0.000 0.763 389 A CB 0.169 19.156 19.000 -0.022 0.000 1.001 389 A HN 0.202 nan 8.150 nan 0.000 0.498 390 E N 1.088 121.469 120.200 0.301 0.000 2.222 390 E HA 0.759 5.109 4.350 -0.000 0.000 0.267 390 E C -0.848 175.951 176.600 0.331 0.000 0.884 390 E CA -0.385 56.138 56.400 0.204 0.000 0.764 390 E CB 0.906 30.692 29.700 0.142 0.000 1.169 390 E HN 0.715 nan 8.360 nan 0.000 0.413 391 F N 0.139 120.128 119.950 0.064 0.000 3.031 391 F HA 0.648 5.175 4.527 -0.000 0.000 0.326 391 F C -1.052 174.779 175.800 0.052 0.000 1.143 391 F CA -0.891 57.140 58.000 0.051 0.000 0.871 391 F CB 0.253 39.295 39.000 0.070 0.000 1.377 391 F HN 0.359 nan 8.300 nan 0.000 0.462 399 S N 0.721 116.405 115.700 -0.027 0.000 2.540 399 S HA 0.203 4.673 4.470 -0.000 0.000 0.218 399 S C 0.709 175.310 174.600 0.001 0.000 0.977 399 S CA -0.118 58.075 58.200 -0.013 0.000 0.918 399 S CB 0.492 63.694 63.200 0.003 0.000 0.806 399 S HN 0.122 nan 8.310 nan 0.000 0.496 400 K N 1.597 121.993 120.400 -0.008 0.000 2.258 400 K HA 0.356 4.676 4.320 -0.000 0.000 0.264 400 K C -0.797 175.811 176.600 0.013 0.000 1.007 400 K CA 0.293 56.598 56.287 0.031 0.000 0.941 400 K CB 0.457 32.954 32.500 -0.006 0.000 0.966 400 K HN 0.216 nan 8.250 nan 0.000 0.480 401 T N 1.591 116.213 114.554 0.113 0.000 2.903 401 T HA 0.161 4.511 4.350 -0.000 0.000 0.299 401 T C 0.585 175.522 174.700 0.395 0.000 1.093 401 T CA -0.781 61.391 62.100 0.121 0.000 1.002 401 T CB 0.759 69.683 68.868 0.092 0.000 1.127 401 T HN 0.776 nan 8.240 nan 0.000 0.488 402 W N 0.872 122.201 121.300 0.049 0.000 2.308 402 W HA -0.204 4.456 4.660 0.000 0.000 0.301 402 W C 2.533 179.128 176.519 0.127 0.000 1.220 402 W CA 0.647 58.045 57.345 0.087 0.000 1.240 402 W CB -0.131 29.379 29.460 0.084 0.000 1.142 402 W HN 0.879 nan 8.180 nan 0.000 0.521 403 A N 0.662 123.698 122.820 0.361 0.000 1.940 403 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 403 A C 1.460 179.196 177.584 0.253 0.000 1.176 403 A CA 2.214 54.399 52.037 0.246 0.000 0.631 403 A CB -0.875 18.220 19.000 0.158 0.000 0.814 403 A HN 0.177 nan 8.150 nan 0.000 0.446 404 D N -0.446 120.112 120.400 0.263 0.000 2.221 404 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 404 D C 1.851 178.288 176.300 0.229 0.000 0.982 404 D CA 1.118 55.260 54.000 0.236 0.000 0.857 404 D CB -0.393 40.593 40.800 0.310 0.000 0.934 404 D HN 0.500 nan 8.370 nan 0.000 0.475 405 M N -0.825 118.979 119.600 0.339 0.000 2.213 405 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 405 M C 1.980 178.387 176.300 0.178 0.000 1.062 405 M CA 1.038 56.521 55.300 0.305 0.000 1.105 405 M CB -0.185 32.574 32.600 0.265 0.000 1.385 405 M HN 0.076 nan 8.290 nan 0.000 0.417 406 Y N 1.243 121.605 120.300 0.104 0.000 2.133 406 Y HA -0.233 4.317 4.550 0.000 0.000 0.287 406 Y C 2.091 178.024 175.900 0.055 0.000 1.134 406 Y CA 1.927 60.092 58.100 0.108 0.000 1.133 406 Y CB -0.048 38.491 38.460 0.132 0.000 0.987 406 Y HN 0.221 nan 8.280 nan 0.000 0.502 407 E N -0.127 120.207 120.200 0.224 0.000 2.058 407 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 407 E C 2.190 178.728 176.600 -0.103 0.000 0.997 407 E CA 1.308 57.753 56.400 0.075 0.000 0.801 407 E CB -0.275 29.453 29.700 0.046 0.000 0.746 407 E HN 0.452 nan 8.360 nan 0.000 0.450 408 E N 1.147 121.225 120.200 -0.203 0.000 2.070 408 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 408 E C 2.083 178.556 176.600 -0.211 0.000 1.004 408 E CA 1.161 57.363 56.400 -0.330 0.000 0.805 408 E CB -0.146 29.151 29.700 -0.671 0.000 0.744 408 E HN 0.295 nan 8.360 nan 0.000 0.451 409 I N 0.464 120.897 120.570 -0.228 0.000 2.163 409 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 409 I C 2.579 178.442 176.117 -0.422 0.000 1.085 409 I CA 0.869 61.942 61.300 -0.378 0.000 1.347 409 I CB -0.267 37.336 38.000 -0.661 0.000 1.044 409 I HN -0.015 nan 8.210 nan 0.000 0.408 410 V N 1.008 120.696 119.914 -0.377 0.000 2.392 410 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 410 V C 2.498 178.538 176.094 -0.089 0.000 1.059 410 V CA 2.153 64.325 62.300 -0.214 0.000 1.051 410 V CB -1.453 30.337 31.823 -0.055 0.000 0.658 410 V HN 0.608 nan 8.190 nan 0.000 0.455 411 G N -1.218 107.520 108.800 -0.102 0.000 2.403 411 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 411 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 411 G C 1.880 176.793 174.900 0.020 0.000 1.154 411 G CA 1.053 46.127 45.100 -0.043 0.000 0.784 411 G HN 0.494 nan 8.290 nan 0.000 0.538 412 S N 0.347 116.027 115.700 -0.034 0.000 2.356 412 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 412 S C 2.413 177.024 174.600 0.017 0.000 1.032 412 S CA 1.126 59.335 58.200 0.014 0.000 1.005 412 S CB -0.292 62.921 63.200 0.021 0.000 0.867 412 S HN 0.358 nan 8.310 nan 0.000 0.449 413 I N 0.144 120.686 120.570 -0.047 0.000 2.315 413 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 413 I C 2.164 178.333 176.117 0.087 0.000 1.117 413 I CA 1.210 62.497 61.300 -0.021 0.000 1.404 413 I CB -0.460 37.478 38.000 -0.104 0.000 1.071 413 I HN 0.316 nan 8.210 nan 0.000 0.419 414 F N 2.254 122.186 119.950 -0.029 0.000 2.102 414 F HA -0.227 4.300 4.527 0.000 0.000 0.298 414 F C 2.709 178.521 175.800 0.020 0.000 1.105 414 F CA 2.019 60.021 58.000 0.002 0.000 1.239 414 F CB -0.540 38.451 39.000 -0.016 0.000 0.991 414 F HN 0.081 nan 8.300 nan 0.000 0.474 415 T N -1.771 112.825 114.554 0.071 0.000 3.160 415 T HA 0.260 4.610 4.350 -0.000 0.000 0.257 415 T C 1.092 175.797 174.700 0.008 0.000 1.147 415 T CA 0.343 62.457 62.100 0.024 0.000 1.064 415 T CB -0.958 68.005 68.868 0.157 0.000 0.949 415 T HN 0.286 nan 8.240 nan 0.000 0.526 416 G N 1.822 110.624 108.800 0.003 0.000 2.521 416 G HA2 0.513 4.473 3.960 -0.000 0.000 0.323 416 G HA3 0.513 4.473 3.960 -0.000 0.000 0.323 416 G C -1.522 173.375 174.900 -0.006 0.000 1.211 416 G CA -1.783 43.328 45.100 0.019 0.000 0.979 416 G HN -0.044 nan 8.290 nan 0.000 0.490 417 P HA -0.114 nan 4.420 nan 0.000 0.220 417 P C 0.960 178.275 177.300 0.025 0.000 1.144 417 P CA 0.815 63.923 63.100 0.013 0.000 0.800 417 P CB 0.294 32.006 31.700 0.019 0.000 0.772 418 N N -0.586 118.136 118.700 0.037 0.000 2.446 418 N HA 0.034 4.774 4.740 -0.000 0.000 0.179 418 N C 1.443 177.029 175.510 0.127 0.000 1.054 418 N CA 1.179 54.277 53.050 0.079 0.000 0.905 418 N CB -0.232 38.303 38.487 0.079 0.000 0.973 418 N HN 0.186 nan 8.380 nan 0.000 0.448 419 G N 1.672 110.499 108.800 0.044 0.000 2.569 419 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.259 419 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.259 419 G C 0.787 175.743 174.900 0.092 0.000 1.263 419 G CA 0.110 45.195 45.100 -0.025 0.000 0.928 419 G HN 0.313 nan 8.290 nan 0.000 0.572 420 I N -0.318 120.324 120.570 0.120 0.000 2.676 420 I HA 0.023 4.193 4.170 -0.000 0.000 0.259 420 I C 2.437 178.670 176.117 0.194 0.000 1.194 420 I CA 1.494 62.970 61.300 0.294 0.000 1.473 420 I CB -0.152 38.036 38.000 0.313 0.000 1.096 420 I HN 0.592 nan 8.210 nan 0.000 0.443 421 Y N 0.855 121.278 120.300 0.206 0.000 2.165 421 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 421 Y C 2.590 178.621 175.900 0.218 0.000 1.155 421 Y CA 1.605 59.829 58.100 0.207 0.000 1.164 421 Y CB -0.835 37.722 38.460 0.161 0.000 0.978 421 Y HN 0.245 nan 8.280 nan 0.000 0.513 422 G N -0.982 108.018 108.800 0.333 0.000 2.418 422 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 422 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 422 G C 1.633 176.697 174.900 0.272 0.000 1.158 422 G CA 1.271 46.520 45.100 0.247 0.000 0.771 422 G HN 0.464 nan 8.290 nan 0.000 0.545 423 C N 0.404 119.872 119.300 0.280 0.000 2.436 423 C HA 0.012 4.472 4.460 -0.000 0.000 0.277 423 C C 2.712 177.910 174.990 0.346 0.000 1.241 423 C CA 0.982 60.178 59.018 0.297 0.000 1.721 423 C CB -1.037 26.871 27.740 0.280 0.000 2.043 423 C HN 0.575 nan 8.230 nan 0.000 0.472 424 E N 0.696 121.092 120.200 0.328 0.000 2.070 424 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 424 E C 2.184 179.009 176.600 0.376 0.000 1.004 424 E CA 1.565 58.170 56.400 0.342 0.000 0.805 424 E CB -0.320 29.569 29.700 0.316 0.000 0.744 424 E HN 0.700 nan 8.360 nan 0.000 0.451 425 E N 0.038 120.493 120.200 0.426 0.000 2.077 425 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 425 E C 1.896 178.754 176.600 0.429 0.000 0.989 425 E CA 0.847 57.556 56.400 0.515 0.000 0.800 425 E CB -0.100 29.836 29.700 0.394 0.000 0.746 425 E HN 0.202 nan 8.360 nan 0.000 0.452 426 F N 1.410 121.471 119.950 0.184 0.000 2.113 426 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 426 F C 1.965 177.826 175.800 0.102 0.000 1.103 426 F CA 1.289 59.340 58.000 0.086 0.000 1.248 426 F CB -0.319 38.676 39.000 -0.008 0.000 0.999 426 F HN -0.021 nan 8.300 nan 0.000 0.475 427 L N 0.039 121.324 121.223 0.103 0.000 2.042 427 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 427 L C 2.761 179.537 176.870 -0.158 0.000 1.076 427 L CA 1.294 56.133 54.840 -0.002 0.000 0.749 427 L CB -1.444 40.744 42.059 0.216 0.000 0.893 427 L HN 0.254 nan 8.230 nan 0.000 0.432 428 A N 0.010 122.790 122.820 -0.066 0.000 1.969 428 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 428 A C 2.309 179.805 177.584 -0.148 0.000 1.169 428 A CA 1.378 53.273 52.037 -0.237 0.000 0.635 428 A CB -0.280 18.543 19.000 -0.294 0.000 0.810 428 A HN 0.334 nan 8.150 nan 0.000 0.445 429 K N -0.716 119.683 120.400 -0.003 0.000 2.217 429 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 429 K C 1.944 178.427 176.600 -0.195 0.000 1.051 429 K CA 1.689 57.954 56.287 -0.037 0.000 0.952 429 K CB -0.085 32.393 32.500 -0.036 0.000 0.736 429 K HN 0.734 nan 8.250 nan 0.000 0.453 430 T N -0.992 113.387 114.554 -0.292 0.000 3.045 430 T HA 0.118 4.468 4.350 -0.000 0.000 0.239 430 T C 2.001 176.626 174.700 -0.124 0.000 1.008 430 T CA -0.097 61.855 62.100 -0.247 0.000 1.143 430 T CB -0.313 68.346 68.868 -0.348 0.000 0.894 430 T HN -0.036 nan 8.240 nan 0.000 0.451 431 L N -0.077 121.010 121.223 -0.226 0.000 2.046 431 L HA 0.175 4.515 4.340 -0.000 0.000 0.208 431 L C 0.869 177.551 176.870 -0.314 0.000 1.077 431 L CA 1.038 55.724 54.840 -0.256 0.000 0.747 431 L CB -0.511 41.295 42.059 -0.421 0.000 0.896 431 L HN 0.251 nan 8.230 nan 0.000 0.432 432 M N -0.793 118.497 119.600 -0.516 0.000 2.205 432 M HA 0.316 4.796 4.480 -0.000 0.000 0.344 432 M C -0.376 175.688 176.300 -0.393 0.000 1.085 432 M CA 0.286 55.214 55.300 -0.620 0.000 1.001 432 M CB 1.918 33.998 32.600 -0.866 0.000 1.626 432 M HN -0.099 nan 8.290 nan 0.000 0.442 433 S N 2.958 118.421 115.700 -0.396 0.000 2.543 433 S HA 0.523 4.993 4.470 -0.000 0.000 0.273 433 S C -2.343 172.024 174.600 -0.389 0.000 1.152 433 S CA -1.182 56.730 58.200 -0.480 0.000 0.910 433 S CB 1.521 64.273 63.200 -0.747 0.000 1.105 433 S HN 0.470 nan 8.310 nan 0.000 0.465 434 P HA -0.104 nan 4.420 nan 0.000 0.219 434 P C 0.997 178.216 177.300 -0.135 0.000 1.146 434 P CA 1.097 64.100 63.100 -0.162 0.000 0.808 434 P CB 0.136 31.756 31.700 -0.132 0.000 0.779 435 E N -0.148 119.922 120.200 -0.216 0.000 2.463 435 E HA -0.183 4.167 4.350 -0.000 0.000 0.201 435 E C 1.033 177.638 176.600 0.008 0.000 1.045 435 E CA 0.867 57.190 56.400 -0.128 0.000 0.872 435 E CB -1.116 28.484 29.700 -0.167 0.000 0.797 435 E HN 0.469 nan 8.360 nan 0.000 0.538 436 H N -0.971 118.120 119.070 0.035 0.000 2.538 436 H HA 0.245 4.801 4.556 0.000 0.000 0.286 436 H C -0.160 175.180 175.328 0.020 0.000 1.035 436 H CA -0.023 56.060 56.048 0.057 0.000 1.169 436 H CB 0.269 30.052 29.762 0.036 0.000 1.417 436 H HN 0.070 nan 8.280 nan 0.000 0.567 437 S N -0.124 115.645 115.700 0.114 0.000 2.651 437 S HA 0.598 5.068 4.470 -0.000 0.000 0.279 437 S C -1.068 173.563 174.600 0.051 0.000 1.148 437 S CA -1.325 56.917 58.200 0.070 0.000 0.837 437 S CB 2.658 65.895 63.200 0.062 0.000 1.138 437 S HN 0.154 nan 8.310 nan 0.000 0.478 438 K N -0.251 120.172 120.400 0.038 0.000 2.238 438 K HA 0.903 5.223 4.320 -0.000 0.000 0.239 438 K C -0.274 176.346 176.600 0.034 0.000 0.987 438 K CA -0.606 55.701 56.287 0.033 0.000 0.857 438 K CB 1.263 33.778 32.500 0.025 0.000 1.154 438 K HN 0.695 nan 8.250 nan 0.000 0.439 444 C N 0.956 120.284 119.300 0.046 0.000 2.454 444 C HA 0.977 5.437 4.460 -0.000 0.000 0.336 444 C C -1.858 173.113 174.990 -0.032 0.000 1.189 444 C CA -1.730 57.316 59.018 0.047 0.000 1.877 444 C CB 0.686 28.402 27.740 -0.041 0.000 2.348 444 C HN 0.847 nan 8.230 nan 0.000 0.508 445 P HA 0.053 nan 4.420 nan 0.000 0.270 445 P C 0.502 177.741 177.300 -0.101 0.000 1.216 445 P CA 0.384 63.456 63.100 -0.047 0.000 0.788 445 P CB 0.590 32.280 31.700 -0.016 0.000 0.883 446 D N 0.755 121.115 120.400 -0.067 0.000 2.084 446 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 446 D C 1.900 178.145 176.300 -0.093 0.000 0.985 446 D CA 1.780 55.739 54.000 -0.069 0.000 0.826 446 D CB -0.381 40.394 40.800 -0.042 0.000 0.978 446 D HN 0.412 nan 8.370 nan 0.000 0.456 447 A N 0.324 123.092 122.820 -0.086 0.000 2.084 447 A HA -0.145 4.175 4.320 -0.000 0.000 0.221 447 A C 2.436 179.934 177.584 -0.144 0.000 1.161 447 A CA 1.275 53.255 52.037 -0.095 0.000 0.653 447 A CB -0.421 18.540 19.000 -0.066 0.000 0.802 447 A HN 0.224 nan 8.150 nan 0.000 0.457 448 V N -0.993 118.798 119.914 -0.204 0.000 2.535 448 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 448 V C 2.569 178.520 176.094 -0.239 0.000 1.045 448 V CA 2.075 64.197 62.300 -0.296 0.000 1.058 448 V CB -0.942 30.519 31.823 -0.604 0.000 0.689 448 V HN 0.582 nan 8.190 nan 0.000 0.461 449 T N -0.292 114.149 114.554 -0.189 0.000 2.867 449 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 449 T C 1.895 176.525 174.700 -0.116 0.000 1.057 449 T CA 1.139 63.158 62.100 -0.135 0.000 1.136 449 T CB -0.122 68.686 68.868 -0.100 0.000 0.874 449 T HN 0.431 nan 8.240 nan 0.000 0.466 450 K N 1.245 121.575 120.400 -0.116 0.000 2.001 450 K HA 0.064 4.384 4.320 -0.000 0.000 0.208 450 K C 2.789 179.309 176.600 -0.133 0.000 1.048 450 K CA 1.197 57.420 56.287 -0.106 0.000 0.932 450 K CB -0.357 32.088 32.500 -0.091 0.000 0.715 450 K HN 0.287 nan 8.250 nan 0.000 0.437 451 A N 1.236 123.956 122.820 -0.168 0.000 1.940 451 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 451 A C 2.279 179.723 177.584 -0.233 0.000 1.176 451 A CA 1.928 53.834 52.037 -0.218 0.000 0.631 451 A CB -0.630 18.226 19.000 -0.241 0.000 0.814 451 A HN 0.184 nan 8.150 nan 0.000 0.446 452 S N -0.318 115.270 115.700 -0.186 0.000 2.359 452 S HA -0.214 4.256 4.470 -0.000 0.000 0.222 452 S C 2.001 176.522 174.600 -0.131 0.000 1.038 452 S CA 1.924 60.033 58.200 -0.151 0.000 1.051 452 S CB -0.292 62.846 63.200 -0.104 0.000 0.944 452 S HN 0.658 nan 8.310 nan 0.000 0.433 453 K N 0.556 120.893 120.400 -0.105 0.000 2.103 453 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 453 K C 2.410 178.953 176.600 -0.097 0.000 1.048 453 K CA 1.082 57.322 56.287 -0.079 0.000 0.930 453 K CB -0.154 32.308 32.500 -0.064 0.000 0.716 453 K HN 0.217 nan 8.250 nan 0.000 0.444 454 R N 0.362 120.783 120.500 -0.132 0.000 2.081 454 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 454 R C 2.264 178.450 176.300 -0.191 0.000 1.131 454 R CA 1.246 57.261 56.100 -0.142 0.000 0.960 454 R CB -0.348 29.858 30.300 -0.157 0.000 0.856 454 R HN 0.015 nan 8.270 nan 0.000 0.436 455 V N 0.146 119.879 119.914 -0.302 0.000 2.358 455 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 455 V C 2.473 178.413 176.094 -0.255 0.000 1.047 455 V CA 1.446 63.475 62.300 -0.451 0.000 1.035 455 V CB -0.474 30.896 31.823 -0.755 0.000 0.658 455 V HN 0.472 nan 8.190 nan 0.000 0.452 456 C N 0.870 120.102 119.300 -0.113 0.000 2.388 456 C HA -0.209 4.251 4.460 -0.000 0.000 0.277 456 C C 2.390 177.397 174.990 0.029 0.000 1.210 456 C CA 1.784 60.817 59.018 0.025 0.000 1.743 456 C CB -0.923 26.829 27.740 0.022 0.000 2.047 456 C HN 0.688 nan 8.230 nan 0.000 0.458 457 M N 0.164 119.757 119.600 -0.012 0.000 2.723 457 M HA 0.357 4.837 4.480 -0.000 0.000 0.270 457 M C 1.172 177.472 176.300 -0.001 0.000 1.282 457 M CA 0.822 56.121 55.300 -0.001 0.000 0.995 457 M CB -0.481 32.113 32.600 -0.011 0.000 1.430 457 M HN 0.453 nan 8.290 nan 0.000 0.477 458 G N 1.451 110.253 108.800 0.004 0.000 2.412 458 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.252 458 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.252 458 G C 0.731 175.636 174.900 0.008 0.000 1.038 458 G CA 0.972 46.085 45.100 0.022 0.000 0.628 458 G HN 0.661 nan 8.290 nan 0.000 0.531 459 E N 1.375 121.567 120.200 -0.013 0.000 2.533 459 E HA 0.356 4.706 4.350 -0.000 0.000 0.203 459 E C 1.570 178.157 176.600 -0.022 0.000 1.101 459 E CA 0.376 56.769 56.400 -0.012 0.000 0.894 459 E CB -0.345 29.343 29.700 -0.019 0.000 0.843 459 E HN 0.861 nan 8.360 nan 0.000 0.552 460 A N 0.344 123.136 122.820 -0.048 0.000 2.477 460 A HA 0.451 4.771 4.320 -0.000 0.000 0.246 460 A C 0.563 178.191 177.584 0.073 0.000 1.078 460 A CA 0.438 52.421 52.037 -0.090 0.000 0.770 460 A CB 0.726 19.569 19.000 -0.263 0.000 1.011 460 A HN 0.306 nan 8.150 nan 0.000 0.494 461 G N -0.356 108.501 108.800 0.095 0.000 3.075 461 G HA2 0.556 4.516 3.960 -0.000 0.000 0.253 461 G HA3 0.556 4.516 3.960 -0.000 0.000 0.253 461 G C 0.970 176.063 174.900 0.321 0.000 1.353 461 G CA 0.177 45.394 45.100 0.195 0.000 1.051 461 G HN 1.160 nan 8.290 nan 0.000 0.553 462 A N -0.560 122.426 122.820 0.276 0.000 1.845 462 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 462 A C 2.091 179.870 177.584 0.326 0.000 1.195 462 A CA 2.321 54.515 52.037 0.261 0.000 0.616 462 A CB -1.070 18.021 19.000 0.152 0.000 0.832 462 A HN 0.838 nan 8.150 nan 0.000 0.443 463 H N -0.602 118.533 119.070 0.108 0.000 2.529 463 H HA 0.106 4.662 4.556 -0.000 0.000 0.277 463 H C 1.383 176.751 175.328 0.066 0.000 0.999 463 H CA 1.381 57.480 56.048 0.085 0.000 1.256 463 H CB -0.590 29.202 29.762 0.050 0.000 1.402 463 H HN 0.496 nan 8.280 nan 0.000 0.566 464 E N 0.622 120.680 120.200 -0.238 0.000 2.085 464 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 464 E C 1.779 178.245 176.600 -0.222 0.000 0.994 464 E CA 1.678 57.880 56.400 -0.330 0.000 0.801 464 E CB -0.445 29.065 29.700 -0.315 0.000 0.743 464 E HN 0.419 nan 8.360 nan 0.000 0.453 465 F N 0.645 120.563 119.950 -0.054 0.000 2.075 465 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 465 F C 2.410 178.222 175.800 0.020 0.000 1.113 465 F CA 1.204 59.199 58.000 -0.008 0.000 1.218 465 F CB -0.172 38.841 39.000 0.022 0.000 0.984 465 F HN -0.116 nan 8.300 nan 0.000 0.472 466 R N 0.025 120.667 120.500 0.236 0.000 2.119 466 R HA -0.182 4.158 4.340 -0.000 0.000 0.246 466 R C 2.286 178.654 176.300 0.113 0.000 1.146 466 R CA 1.713 57.910 56.100 0.161 0.000 0.962 466 R CB -1.030 29.362 30.300 0.154 0.000 0.863 466 R HN 0.263 nan 8.270 nan 0.000 0.442 467 S N 1.259 116.994 115.700 0.058 0.000 2.344 467 S HA -0.106 4.364 4.470 -0.000 0.000 0.217 467 S C 2.112 176.762 174.600 0.083 0.000 1.033 467 S CA 1.164 59.385 58.200 0.034 0.000 1.017 467 S CB -0.303 62.859 63.200 -0.064 0.000 0.941 467 S HN 0.201 nan 8.310 nan 0.000 0.430 468 L N 1.223 122.475 121.223 0.048 0.000 2.013 468 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 468 L C 2.401 179.386 176.870 0.191 0.000 1.073 468 L CA 0.970 55.872 54.840 0.103 0.000 0.753 468 L CB -1.010 41.066 42.059 0.028 0.000 0.890 468 L HN 0.174 nan 8.230 nan 0.000 0.432 469 V N 0.035 120.053 119.914 0.173 0.000 2.219 469 V HA -0.361 3.759 4.120 -0.000 0.000 0.248 469 V C 2.218 178.388 176.094 0.127 0.000 1.053 469 V CA 2.290 64.683 62.300 0.154 0.000 1.009 469 V CB -0.569 31.338 31.823 0.140 0.000 0.636 469 V HN 0.447 nan 8.190 nan 0.000 0.445 470 D N -1.541 118.932 120.400 0.121 0.000 2.149 470 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 470 D C 1.868 178.235 176.300 0.111 0.000 0.990 470 D CA 1.583 55.642 54.000 0.099 0.000 0.839 470 D CB -0.310 40.547 40.800 0.095 0.000 0.948 470 D HN 0.640 nan 8.370 nan 0.000 0.460 471 Y N 1.326 121.646 120.300 0.033 0.000 2.133 471 Y HA -0.158 4.392 4.550 0.000 0.000 0.287 471 Y C 2.235 178.158 175.900 0.038 0.000 1.134 471 Y CA 1.941 60.058 58.100 0.028 0.000 1.133 471 Y CB -0.491 37.979 38.460 0.017 0.000 0.987 471 Y HN -0.053 nan 8.280 nan 0.000 0.502 472 A N -0.546 122.290 122.820 0.026 0.000 1.877 472 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 472 A C 2.407 179.956 177.584 -0.058 0.000 1.186 472 A CA 1.706 53.719 52.037 -0.040 0.000 0.620 472 A CB -1.769 17.310 19.000 0.130 0.000 0.822 472 A HN 0.700 nan 8.150 nan 0.000 0.443 473 C N -0.649 118.654 119.300 0.005 0.000 2.397 473 C HA -0.105 4.355 4.460 -0.000 0.000 0.286 473 C C 2.471 177.444 174.990 -0.028 0.000 1.308 473 C CA 1.581 60.603 59.018 0.008 0.000 1.805 473 C CB -1.101 26.653 27.740 0.024 0.000 1.952 473 C HN 0.589 nan 8.230 nan 0.000 0.518 474 E N -1.449 118.702 120.200 -0.081 0.000 2.330 474 E HA 0.010 4.360 4.350 -0.000 0.000 0.200 474 E C 2.046 178.559 176.600 -0.145 0.000 0.922 474 E CA 0.226 56.571 56.400 -0.092 0.000 0.935 474 E CB -0.545 29.112 29.700 -0.072 0.000 0.917 474 E HN 0.609 nan 8.360 nan 0.000 0.491 475 Q N 0.452 120.088 119.800 -0.273 0.000 2.515 475 Q HA 0.021 4.361 4.340 -0.000 0.000 0.212 475 Q C 0.261 176.179 176.000 -0.136 0.000 0.970 475 Q CA 0.654 56.293 55.803 -0.273 0.000 0.941 475 Q CB 0.097 28.520 28.738 -0.525 0.000 0.998 475 Q HN 0.360 nan 8.270 nan 0.000 0.518 476 G N 2.050 110.798 108.800 -0.087 0.000 2.367 476 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.295 476 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.295 476 G C -0.069 174.831 174.900 0.001 0.000 1.019 476 G CA -0.031 45.054 45.100 -0.026 0.000 1.224 476 G HN 0.334 nan 8.290 nan 0.000 0.510 477 I N 1.375 121.958 120.570 0.023 0.000 2.371 477 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 477 I C 0.772 176.958 176.117 0.115 0.000 1.028 477 I CA -0.123 61.215 61.300 0.063 0.000 1.345 477 I CB 1.279 39.327 38.000 0.081 0.000 1.407 477 I HN 0.422 nan 8.210 nan 0.000 0.501 478 S N 5.624 121.388 115.700 0.106 0.000 2.566 478 S HA 0.333 4.803 4.470 -0.000 0.000 0.324 478 S C 0.354 175.036 174.600 0.137 0.000 1.081 478 S CA -0.816 57.467 58.200 0.139 0.000 1.105 478 S CB 1.466 64.725 63.200 0.098 0.000 0.981 478 S HN 0.514 nan 8.310 nan 0.000 0.464 479 V N -0.811 119.187 119.914 0.140 0.000 3.621 479 V HA 0.511 4.631 4.120 -0.000 0.000 0.285 479 V C -0.181 175.847 176.094 -0.111 0.000 1.346 479 V CA -0.043 62.249 62.300 -0.013 0.000 1.104 479 V CB -1.196 30.535 31.823 -0.153 0.000 0.913 479 V HN 0.633 nan 8.190 nan 0.000 0.432 480 F N 0.528 120.463 119.950 -0.024 0.000 2.440 480 F HA 0.486 5.013 4.527 0.000 0.000 0.328 480 F C 1.570 177.270 175.800 -0.167 0.000 1.070 480 F CA -0.502 57.450 58.000 -0.082 0.000 1.011 480 F CB 1.183 40.111 39.000 -0.120 0.000 1.226 480 F HN 0.142 nan 8.300 nan 0.000 0.491 481 C N -0.455 118.747 119.300 -0.163 0.000 2.460 481 C HA 0.393 4.853 4.460 -0.000 0.000 0.322 481 C C 0.497 175.379 174.990 -0.179 0.000 1.333 481 C CA -0.494 58.273 59.018 -0.418 0.000 1.631 481 C CB -2.101 25.400 27.740 -0.398 0.000 1.672 481 C HN 0.529 nan 8.230 nan 0.000 0.596 482 S N -0.354 115.309 115.700 -0.060 0.000 2.668 482 S HA 0.402 4.872 4.470 -0.000 0.000 0.277 482 S C 0.643 175.222 174.600 -0.034 0.000 1.170 482 S CA -0.173 57.990 58.200 -0.062 0.000 0.994 482 S CB 1.521 64.685 63.200 -0.059 0.000 1.051 482 S HN 0.369 nan 8.310 nan 0.000 0.484 483 S N 3.579 119.247 115.700 -0.053 0.000 2.402 483 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 483 S C 1.823 176.406 174.600 -0.028 0.000 1.030 483 S CA 1.629 59.810 58.200 -0.032 0.000 1.003 483 S CB -0.262 62.911 63.200 -0.045 0.000 0.813 483 S HN 0.778 nan 8.310 nan 0.000 0.477 484 R N 0.599 121.066 120.500 -0.054 0.000 2.052 484 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 484 R C 2.105 178.348 176.300 -0.095 0.000 1.145 484 R CA 1.257 57.312 56.100 -0.074 0.000 0.952 484 R CB -0.435 29.808 30.300 -0.095 0.000 0.847 484 R HN 0.237 nan 8.270 nan 0.000 0.431 485 V N 0.931 120.763 119.914 -0.137 0.000 2.392 485 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 485 V C 2.247 178.265 176.094 -0.126 0.000 1.059 485 V CA 2.055 64.217 62.300 -0.230 0.000 1.051 485 V CB -0.371 31.219 31.823 -0.388 0.000 0.658 485 V HN 0.381 nan 8.190 nan 0.000 0.455 486 S N -0.292 115.420 115.700 0.021 0.000 2.353 486 S HA -0.232 4.238 4.470 -0.000 0.000 0.222 486 S C 2.122 176.863 174.600 0.234 0.000 1.035 486 S CA 2.070 60.409 58.200 0.232 0.000 1.025 486 S CB -0.533 62.791 63.200 0.206 0.000 0.902 486 S HN 0.668 nan 8.310 nan 0.000 0.440 487 T N 2.547 117.169 114.554 0.113 0.000 2.635 487 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 487 T C 1.822 176.579 174.700 0.095 0.000 1.040 487 T CA 1.364 63.512 62.100 0.081 0.000 1.156 487 T CB -0.348 68.531 68.868 0.020 0.000 0.863 487 T HN 0.281 nan 8.240 nan 0.000 0.430 488 M N -0.238 119.397 119.600 0.058 0.000 2.229 488 M HA -0.008 4.472 4.480 -0.000 0.000 0.264 488 M C 2.093 178.605 176.300 0.354 0.000 1.063 488 M CA 1.307 56.639 55.300 0.052 0.000 1.114 488 M CB -0.421 32.012 32.600 -0.278 0.000 1.387 488 M HN 0.280 nan 8.290 nan 0.000 0.420 489 F N 1.361 121.477 119.950 0.277 0.000 2.113 489 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 489 F C 1.858 177.770 175.800 0.186 0.000 1.103 489 F CA 1.465 59.633 58.000 0.279 0.000 1.248 489 F CB -0.403 38.753 39.000 0.260 0.000 0.999 489 F HN -0.045 nan 8.300 nan 0.000 0.475 490 L N 0.205 121.490 121.223 0.104 0.000 2.013 490 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 490 L C 2.630 179.454 176.870 -0.076 0.000 1.073 490 L CA 1.886 56.708 54.840 -0.030 0.000 0.753 490 L CB -0.858 41.254 42.059 0.087 0.000 0.890 490 L HN 0.174 nan 8.230 nan 0.000 0.432 491 E N 0.178 120.379 120.200 0.002 0.000 2.204 491 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 491 E C 2.205 178.806 176.600 0.002 0.000 0.989 491 E CA 0.846 57.252 56.400 0.010 0.000 0.824 491 E CB 0.129 29.849 29.700 0.032 0.000 0.756 491 E HN 0.229 nan 8.360 nan 0.000 0.477 492 R N 0.378 120.876 120.500 -0.004 0.000 2.090 492 R HA 0.017 4.357 4.340 -0.000 0.000 0.228 492 R C 2.447 178.647 176.300 -0.167 0.000 1.110 492 R CA 0.727 56.802 56.100 -0.041 0.000 0.973 492 R CB -0.564 29.716 30.300 -0.033 0.000 0.869 492 R HN 0.169 nan 8.270 nan 0.000 0.440 493 L N 0.144 121.174 121.223 -0.321 0.000 2.083 493 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 493 L C 2.475 179.290 176.870 -0.091 0.000 1.083 493 L CA 1.525 56.205 54.840 -0.267 0.000 0.752 493 L CB -0.310 41.542 42.059 -0.346 0.000 0.899 493 L HN 0.255 nan 8.230 nan 0.000 0.433 494 R N -0.115 120.349 120.500 -0.059 0.000 2.094 494 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 494 R C 1.734 178.041 176.300 0.012 0.000 1.137 494 R CA 1.759 57.856 56.100 -0.005 0.000 0.943 494 R CB -0.494 29.808 30.300 0.004 0.000 0.850 494 R HN 0.397 nan 8.270 nan 0.000 0.433 495 D N 0.390 120.796 120.400 0.011 0.000 2.350 495 D HA -0.030 4.610 4.640 -0.000 0.000 0.216 495 D C 0.525 176.852 176.300 0.045 0.000 0.968 495 D CA 0.836 54.856 54.000 0.034 0.000 0.894 495 D CB 0.021 40.851 40.800 0.050 0.000 0.909 495 D HN 0.204 nan 8.370 nan 0.000 0.520 496 I N 2.926 123.517 120.570 0.033 0.000 2.371 496 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 496 I C -2.023 174.134 176.117 0.068 0.000 1.028 496 I CA -1.998 59.342 61.300 0.066 0.000 1.345 496 I CB 1.345 39.385 38.000 0.066 0.000 1.407 496 I HN -0.275 nan 8.210 nan 0.000 0.501 497 P HA 0.028 nan 4.420 nan 0.000 0.267 497 P C 0.301 177.618 177.300 0.029 0.000 1.205 497 P CA -0.174 62.955 63.100 0.049 0.000 0.765 497 P CB 1.122 32.847 31.700 0.043 0.000 0.828 498 A N 4.115 126.951 122.820 0.026 0.000 2.131 498 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 498 A C 1.832 179.378 177.584 -0.063 0.000 1.158 498 A CA 1.293 53.332 52.037 0.002 0.000 0.665 498 A CB -0.771 18.277 19.000 0.080 0.000 0.795 498 A HN 0.661 nan 8.150 nan 0.000 0.460 499 E N -0.020 120.157 120.200 -0.038 0.000 2.216 499 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 499 E C 0.324 176.849 176.600 -0.124 0.000 0.988 499 E CA 1.122 57.484 56.400 -0.062 0.000 0.834 499 E CB -0.447 29.234 29.700 -0.032 0.000 0.772 499 E HN 0.512 nan 8.360 nan 0.000 0.479 500 D N 0.580 120.913 120.400 -0.113 0.000 2.323 500 D HA 0.076 4.716 4.640 -0.000 0.000 0.209 500 D C 1.939 178.101 176.300 -0.230 0.000 0.973 500 D CA 0.448 54.337 54.000 -0.185 0.000 0.874 500 D CB -0.055 40.719 40.800 -0.043 0.000 0.930 500 D HN 0.208 nan 8.370 nan 0.000 0.521 501 M N -0.068 119.411 119.600 -0.201 0.000 2.229 501 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 501 M C 1.964 177.961 176.300 -0.504 0.000 1.063 501 M CA 0.668 55.796 55.300 -0.286 0.000 1.114 501 M CB -0.074 32.192 32.600 -0.556 0.000 1.387 501 M HN 0.044 nan 8.290 nan 0.000 0.420 502 L N 0.931 121.791 121.223 -0.605 0.000 2.083 502 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 502 L C 1.757 178.611 176.870 -0.026 0.000 1.083 502 L CA 1.969 56.669 54.840 -0.234 0.000 0.752 502 L CB -0.689 41.337 42.059 -0.056 0.000 0.899 502 L HN 0.232 nan 8.230 nan 0.000 0.433 503 D N -1.397 118.899 120.400 -0.174 0.000 2.149 503 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 503 D C 1.960 178.160 176.300 -0.167 0.000 0.972 503 D CA 1.557 55.420 54.000 -0.227 0.000 0.835 503 D CB -0.249 40.296 40.800 -0.426 0.000 0.966 503 D HN 0.505 nan 8.370 nan 0.000 0.476 504 W N 0.690 122.013 121.300 0.038 0.000 2.380 504 W HA -0.180 4.480 4.660 0.000 0.000 0.317 504 W C 2.368 178.969 176.519 0.135 0.000 1.196 504 W CA 0.156 57.546 57.345 0.074 0.000 1.307 504 W CB -0.929 28.576 29.460 0.076 0.000 1.157 504 W HN -0.014 nan 8.180 nan 0.000 0.483 505 Y N 1.574 122.057 120.300 0.305 0.000 2.062 505 Y HA -0.386 4.164 4.550 -0.000 0.000 0.276 505 Y C 2.616 178.630 175.900 0.190 0.000 1.189 505 Y CA 2.268 60.543 58.100 0.290 0.000 1.130 505 Y CB -0.544 38.138 38.460 0.370 0.000 0.959 505 Y HN -0.158 nan 8.280 nan 0.000 0.499 506 R N -0.576 120.099 120.500 0.291 0.000 2.096 506 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 506 R C 2.188 178.510 176.300 0.036 0.000 1.127 506 R CA 1.402 57.583 56.100 0.135 0.000 0.968 506 R CB -0.600 29.792 30.300 0.152 0.000 0.861 506 R HN 0.423 nan 8.270 nan 0.000 0.440 507 L N 0.285 121.556 121.223 0.079 0.000 2.017 507 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 507 L C 2.116 179.030 176.870 0.074 0.000 1.073 507 L CA 2.250 57.136 54.840 0.077 0.000 0.745 507 L CB -1.048 41.094 42.059 0.139 0.000 0.894 507 L HN 0.158 nan 8.230 nan 0.000 0.432 508 G N -0.406 108.443 108.800 0.081 0.000 2.440 508 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 508 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 508 G C 1.727 176.605 174.900 -0.035 0.000 1.154 508 G CA 1.133 46.275 45.100 0.071 0.000 0.767 508 G HN 0.490 nan 8.290 nan 0.000 0.552 509 I N -0.283 120.073 120.570 -0.357 0.000 2.439 509 I HA -0.066 4.104 4.170 -0.000 0.000 0.251 509 I C 2.793 178.786 176.117 -0.207 0.000 1.139 509 I CA 1.098 62.015 61.300 -0.639 0.000 1.438 509 I CB 0.081 37.546 38.000 -0.892 0.000 1.085 509 I HN 0.209 nan 8.210 nan 0.000 0.427 510 Q N 0.555 120.312 119.800 -0.072 0.000 2.050 510 Q HA -0.292 4.048 4.340 -0.000 0.000 0.202 510 Q C 2.034 178.052 176.000 0.028 0.000 0.980 510 Q CA 2.303 58.112 55.803 0.011 0.000 0.840 510 Q CB -0.522 28.227 28.738 0.019 0.000 0.898 510 Q HN 0.561 nan 8.270 nan 0.000 0.424 511 F N -0.060 119.843 119.950 -0.078 0.000 2.134 511 F HA -0.156 4.371 4.527 0.000 0.000 0.299 511 F C 2.041 177.818 175.800 -0.039 0.000 1.097 511 F CA 1.682 59.646 58.000 -0.059 0.000 1.264 511 F CB -0.359 38.619 39.000 -0.036 0.000 1.001 511 F HN 0.021 nan 8.300 nan 0.000 0.479 512 S N -0.756 114.984 115.700 0.067 0.000 2.368 512 S HA -0.274 4.196 4.470 -0.000 0.000 0.225 512 S C 2.037 176.600 174.600 -0.062 0.000 1.030 512 S CA 1.422 59.630 58.200 0.013 0.000 0.999 512 S CB -0.874 62.397 63.200 0.118 0.000 0.844 512 S HN 0.693 nan 8.310 nan 0.000 0.459 513 H N 2.105 121.085 119.070 -0.150 0.000 2.326 513 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 513 H C 2.457 177.693 175.328 -0.153 0.000 1.081 513 H CA 1.521 57.492 56.048 -0.128 0.000 1.334 513 H CB -0.013 29.687 29.762 -0.103 0.000 1.385 513 H HN 0.385 nan 8.280 nan 0.000 0.504 514 R N 0.057 120.326 120.500 -0.384 0.000 2.189 514 R HA 0.019 4.359 4.340 -0.000 0.000 0.218 514 R C 1.772 177.860 176.300 -0.354 0.000 1.074 514 R CA 1.282 57.125 56.100 -0.428 0.000 0.991 514 R CB -0.204 29.891 30.300 -0.342 0.000 0.883 514 R HN 0.033 nan 8.270 nan 0.000 0.457 515 S N 0.224 115.663 115.700 -0.435 0.000 2.607 515 S HA 0.112 4.582 4.470 -0.000 0.000 0.224 515 S C 1.031 175.507 174.600 -0.207 0.000 0.969 515 S CA 0.733 58.699 58.200 -0.390 0.000 0.927 515 S CB 0.226 63.057 63.200 -0.615 0.000 0.772 515 S HN 0.772 nan 8.310 nan 0.000 0.533 516 G N 1.535 110.242 108.800 -0.155 0.000 2.198 516 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 516 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 516 G C 0.285 175.159 174.900 -0.042 0.000 1.025 516 G CA 0.555 45.613 45.100 -0.071 0.000 0.769 516 G HN 0.639 nan 8.290 nan 0.000 0.507 517 L N -2.769 118.429 121.223 -0.043 0.000 2.910 517 L HA 0.865 5.205 4.340 -0.000 0.000 0.252 517 L C 0.449 177.324 176.870 0.008 0.000 1.195 517 L CA 0.067 54.893 54.840 -0.023 0.000 1.003 517 L CB 0.279 42.317 42.059 -0.035 0.000 1.328 517 L HN 0.262 nan 8.230 nan 0.000 0.540 525 S N 0.369 116.092 115.700 0.038 0.000 2.616 525 S HA 0.562 5.032 4.470 -0.000 0.000 0.277 525 S C 1.202 175.833 174.600 0.050 0.000 1.234 525 S CA -0.000 58.218 58.200 0.030 0.000 1.028 525 S CB 2.199 65.415 63.200 0.027 0.000 0.988 525 S HN 0.148 nan 8.310 nan 0.000 0.522 526 V N 1.771 121.718 119.914 0.055 0.000 2.407 526 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 526 V C 2.099 178.266 176.094 0.121 0.000 1.055 526 V CA 1.632 63.991 62.300 0.099 0.000 1.049 526 V CB -1.361 30.555 31.823 0.155 0.000 0.662 526 V HN 0.873 nan 8.190 nan 0.000 0.455 527 I N 0.222 120.848 120.570 0.093 0.000 2.208 527 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 527 I C 2.380 178.499 176.117 0.003 0.000 1.097 527 I CA 1.832 63.166 61.300 0.058 0.000 1.363 527 I CB -0.577 37.442 38.000 0.033 0.000 1.051 527 I HN 0.299 nan 8.210 nan 0.000 0.413 528 D N 0.967 121.359 120.400 -0.013 0.000 2.149 528 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 528 D C 2.325 178.562 176.300 -0.104 0.000 0.972 528 D CA 1.297 55.230 54.000 -0.112 0.000 0.835 528 D CB 0.094 40.871 40.800 -0.038 0.000 0.966 528 D HN 0.350 nan 8.370 nan 0.000 0.476 529 I N 0.380 121.034 120.570 0.140 0.000 2.394 529 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 529 I C 2.245 178.567 176.117 0.343 0.000 1.136 529 I CA 0.516 62.049 61.300 0.389 0.000 1.425 529 I CB -0.004 38.184 38.000 0.313 0.000 1.079 529 I HN -0.052 nan 8.210 nan 0.000 0.425 530 M N 0.218 119.947 119.600 0.215 0.000 2.229 530 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 530 M C 2.174 178.570 176.300 0.161 0.000 1.063 530 M CA 1.886 57.336 55.300 0.250 0.000 1.114 530 M CB -0.737 31.996 32.600 0.222 0.000 1.387 530 M HN 0.105 nan 8.290 nan 0.000 0.420 531 T N -1.394 113.141 114.554 -0.032 0.000 2.942 531 T HA -0.063 4.287 4.350 -0.000 0.000 0.265 531 T C 1.564 176.172 174.700 -0.153 0.000 1.062 531 T CA 1.012 62.997 62.100 -0.192 0.000 1.139 531 T CB -0.328 68.356 68.868 -0.305 0.000 0.883 531 T HN 0.353 nan 8.240 nan 0.000 0.468 532 H N 0.869 119.954 119.070 0.025 0.000 2.403 532 H HA 0.236 4.792 4.556 -0.000 0.000 0.298 532 H C 2.307 177.685 175.328 0.084 0.000 1.059 532 H CA 0.494 56.521 56.048 -0.036 0.000 1.363 532 H CB -0.485 29.104 29.762 -0.288 0.000 1.410 532 H HN 0.273 nan 8.280 nan 0.000 0.528 533 L N 0.211 121.653 121.223 0.367 0.000 2.012 533 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 533 L C 2.783 179.866 176.870 0.356 0.000 1.073 533 L CA 0.994 56.088 54.840 0.424 0.000 0.748 533 L CB -0.551 41.806 42.059 0.497 0.000 0.891 533 L HN 0.219 nan 8.230 nan 0.000 0.431 534 A N 0.482 123.441 122.820 0.232 0.000 1.837 534 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 534 A C 2.307 179.835 177.584 -0.094 0.000 1.210 534 A CA 2.100 54.012 52.037 -0.209 0.000 0.632 534 A CB -0.794 17.813 19.000 -0.655 0.000 0.843 534 A HN 0.325 nan 8.150 nan 0.000 0.448 535 R N -0.918 119.502 120.500 -0.133 0.000 2.117 535 R HA -0.152 4.188 4.340 -0.000 0.000 0.243 535 R C 2.317 178.603 176.300 -0.023 0.000 1.143 535 R CA 1.171 57.196 56.100 -0.124 0.000 0.968 535 R CB -0.745 29.457 30.300 -0.162 0.000 0.863 535 R HN 0.609 nan 8.270 nan 0.000 0.444 536 G N 1.072 109.915 108.800 0.072 0.000 2.459 536 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 536 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 536 G C 1.401 176.319 174.900 0.029 0.000 1.183 536 G CA 0.565 45.766 45.100 0.169 0.000 0.776 536 G HN 0.144 nan 8.290 nan 0.000 0.552 537 L N -0.903 120.225 121.223 -0.158 0.000 2.056 537 L HA -0.005 4.335 4.340 -0.000 0.000 0.207 537 L C 2.639 179.379 176.870 -0.217 0.000 1.078 537 L CA 0.970 55.514 54.840 -0.493 0.000 0.749 537 L CB -0.408 41.433 42.059 -0.362 0.000 0.901 537 L HN 0.472 nan 8.230 nan 0.000 0.433 538 W N 1.198 122.383 121.300 -0.192 0.000 2.292 538 W HA -0.298 4.362 4.660 -0.000 0.000 0.330 538 W C 2.169 178.618 176.519 -0.117 0.000 1.264 538 W CA 1.951 59.217 57.345 -0.133 0.000 1.235 538 W CB -0.470 28.911 29.460 -0.131 0.000 1.164 538 W HN 0.094 nan 8.180 nan 0.000 0.461 539 L N 0.454 121.669 121.223 -0.014 0.000 2.083 539 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 539 L C 2.617 179.500 176.870 0.022 0.000 1.083 539 L CA 1.745 56.563 54.840 -0.037 0.000 0.752 539 L CB -1.298 40.751 42.059 -0.016 0.000 0.899 539 L HN 0.180 nan 8.230 nan 0.000 0.433 540 G N -2.041 106.771 108.800 0.020 0.000 3.062 540 G HA2 0.030 3.990 3.960 -0.000 0.000 0.228 540 G HA3 0.030 3.990 3.960 -0.000 0.000 0.228 540 G C 0.503 175.491 174.900 0.147 0.000 1.094 540 G CA -0.170 45.057 45.100 0.211 0.000 0.782 540 G HN 0.130 nan 8.290 nan 0.000 0.541 541 S N 2.420 118.001 115.700 -0.199 0.000 2.544 541 S HA 0.144 4.614 4.470 -0.000 0.000 0.290 541 S C -0.624 173.974 174.600 -0.004 0.000 1.276 541 S CA -0.596 57.490 58.200 -0.189 0.000 1.075 541 S CB 1.738 64.746 63.200 -0.319 0.000 0.849 541 S HN 0.216 nan 8.310 nan 0.000 0.494 542 P HA 0.045 nan 4.420 nan 0.000 0.218 542 P C 0.696 177.999 177.300 0.005 0.000 1.149 542 P CA 0.955 64.106 63.100 0.085 0.000 0.817 542 P CB 0.138 31.907 31.700 0.114 0.000 0.785 543 G N -1.030 107.746 108.800 -0.040 0.000 2.341 543 G HA2 0.463 4.423 3.960 -0.000 0.000 0.299 543 G HA3 0.463 4.423 3.960 -0.000 0.000 0.299 543 G C -1.889 172.946 174.900 -0.109 0.000 1.274 543 G CA -0.734 44.314 45.100 -0.087 0.000 0.853 543 G HN 0.164 nan 8.290 nan 0.000 0.493 544 F N -1.465 118.382 119.950 -0.171 0.000 2.613 544 F HA 0.853 5.380 4.527 -0.000 0.000 0.314 544 F C -1.571 174.106 175.800 -0.205 0.000 1.075 544 F CA -2.111 55.724 58.000 -0.276 0.000 0.945 544 F CB 1.134 40.062 39.000 -0.121 0.000 1.310 544 F HN 0.469 nan 8.300 nan 0.000 0.467 545 Y N 1.527 121.989 120.300 0.270 0.000 2.323 545 Y HA 0.540 5.090 4.550 -0.000 0.000 0.331 545 Y C 0.172 176.241 175.900 0.281 0.000 1.092 545 Y CA -1.794 56.407 58.100 0.169 0.000 1.150 545 Y CB 1.112 39.638 38.460 0.110 0.000 1.200 545 Y HN 0.626 nan 8.280 nan 0.000 0.472 546 V N 0.203 120.329 119.914 0.354 0.000 2.465 546 V HA 0.394 4.514 4.120 -0.000 0.000 0.279 546 V C 0.087 176.290 176.094 0.183 0.000 1.045 546 V CA -1.118 61.344 62.300 0.271 0.000 0.938 546 V CB 1.226 33.180 31.823 0.219 0.000 0.986 546 V HN 0.873 nan 8.190 nan 0.000 0.467 547 E N 2.794 123.078 120.200 0.140 0.000 2.342 547 E HA 0.235 4.585 4.350 -0.000 0.000 0.257 547 E C -0.031 176.598 176.600 0.048 0.000 1.150 547 E CA -0.702 55.749 56.400 0.084 0.000 0.926 547 E CB 0.763 30.501 29.700 0.064 0.000 1.074 547 E HN 0.807 nan 8.360 nan 0.000 0.449 559 P HA 0.479 nan 4.420 nan 0.000 0.306 559 P C -0.576 176.769 177.300 0.075 0.000 1.309 559 P CA 0.002 63.127 63.100 0.043 0.000 0.759 559 P CB 0.783 32.499 31.700 0.027 0.000 1.314 560 T N 0.455 115.060 114.554 0.085 0.000 2.744 560 T HA 0.446 4.796 4.350 -0.000 0.000 0.291 560 T C 0.440 175.094 174.700 -0.077 0.000 0.957 560 T CA -0.292 61.858 62.100 0.084 0.000 1.002 560 T CB -0.055 68.917 68.868 0.173 0.000 0.919 560 T HN 0.174 nan 8.240 nan 0.000 0.468 561 I N 6.520 126.904 120.570 -0.309 0.000 2.337 561 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 561 I C -1.942 173.947 176.117 -0.379 0.000 1.046 561 I CA -2.387 58.678 61.300 -0.393 0.000 1.324 561 I CB 0.899 38.499 38.000 -0.667 0.000 1.409 561 I HN 0.306 nan 8.210 nan 0.000 0.494 562 P HA 0.119 nan 4.420 nan 0.000 0.287 562 P C -0.376 176.971 177.300 0.079 0.000 1.307 562 P CA -0.221 62.880 63.100 0.002 0.000 0.777 562 P CB 1.151 32.885 31.700 0.056 0.000 0.883 563 V N 6.341 126.274 119.914 0.033 0.000 2.370 563 V HA 0.002 4.122 4.120 -0.000 0.000 0.257 563 V C 1.176 177.203 176.094 -0.111 0.000 1.064 563 V CA 0.293 62.618 62.300 0.043 0.000 0.975 563 V CB -0.191 31.667 31.823 0.059 0.000 1.067 563 V HN 0.428 nan 8.190 nan 0.000 0.485 564 L N 3.441 124.631 121.223 -0.054 0.000 3.333 564 L HA 0.343 4.683 4.340 -0.000 0.000 0.299 564 L C 1.150 178.000 176.870 -0.034 0.000 1.256 564 L CA -0.083 54.731 54.840 -0.042 0.000 1.037 564 L CB -0.925 41.179 42.059 0.075 0.000 1.423 564 L HN 0.435 nan 8.230 nan 0.000 0.605 565 Y N -1.550 118.834 120.300 0.141 0.000 2.569 565 Y HA 0.062 4.612 4.550 -0.000 0.000 0.293 565 Y C 2.014 177.945 175.900 0.052 0.000 1.144 565 Y CA 0.621 58.817 58.100 0.161 0.000 1.321 565 Y CB -0.833 37.704 38.460 0.128 0.000 0.982 565 Y HN 0.308 nan 8.280 nan 0.000 0.558 566 I N -0.532 119.894 120.570 -0.240 0.000 2.394 566 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 566 I C 1.362 177.286 176.117 -0.320 0.000 1.136 566 I CA 1.271 62.356 61.300 -0.358 0.000 1.425 566 I CB -0.137 37.367 38.000 -0.826 0.000 1.079 566 I HN 0.158 nan 8.210 nan 0.000 0.425 567 Y N -0.913 119.289 120.300 -0.163 0.000 2.561 567 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 567 Y C 2.140 177.939 175.900 -0.168 0.000 1.141 567 Y CA 0.643 58.639 58.100 -0.172 0.000 1.303 567 Y CB -0.415 37.888 38.460 -0.260 0.000 1.015 567 Y HN 0.243 nan 8.280 nan 0.000 0.547 568 H N -0.133 119.021 119.070 0.140 0.000 2.548 568 H HA 0.156 4.712 4.556 -0.000 0.000 0.265 568 H C 0.560 175.952 175.328 0.107 0.000 0.969 568 H CA 0.102 56.222 56.048 0.119 0.000 1.155 568 H CB 0.179 30.015 29.762 0.123 0.000 1.394 568 H HN 0.204 nan 8.280 nan 0.000 0.570 569 R N 1.065 121.680 120.500 0.192 0.000 2.623 569 R HA -0.033 4.307 4.340 -0.000 0.000 0.271 569 R C 1.479 177.879 176.300 0.167 0.000 1.043 569 R CA 0.455 56.654 56.100 0.166 0.000 1.083 569 R CB 0.581 30.970 30.300 0.148 0.000 0.974 569 R HN 0.221 nan 8.270 nan 0.000 0.436 570 S N 0.665 116.454 115.700 0.149 0.000 2.515 570 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 570 S C 0.719 175.391 174.600 0.120 0.000 0.987 570 S CA -0.034 58.239 58.200 0.122 0.000 0.936 570 S CB 0.243 63.502 63.200 0.097 0.000 0.766 570 S HN 0.279 nan 8.310 nan 0.000 0.528 571 V N 2.396 122.410 119.914 0.166 0.000 2.409 571 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 571 V C -0.345 175.849 176.094 0.167 0.000 1.020 571 V CA -0.873 61.511 62.300 0.140 0.000 0.848 571 V CB 1.575 33.478 31.823 0.134 0.000 0.990 571 V HN 0.221 nan 8.190 nan 0.000 0.430 572 Q N 1.541 121.391 119.800 0.084 0.000 2.185 572 Q HA 0.515 4.855 4.340 -0.000 0.000 0.225 572 Q C -0.343 175.647 176.000 -0.017 0.000 0.983 572 Q CA -0.381 55.476 55.803 0.091 0.000 0.950 572 Q CB 2.150 30.951 28.738 0.105 0.000 1.176 572 Q HN 0.843 nan 8.270 nan 0.000 0.510 573 C N 2.315 121.655 119.300 0.067 0.000 3.287 573 C HA 0.390 4.850 4.460 -0.000 0.000 0.260 573 C C -1.809 173.278 174.990 0.161 0.000 1.133 573 C CA -1.415 57.634 59.018 0.051 0.000 1.402 573 C CB -0.066 27.690 27.740 0.027 0.000 1.832 573 C HN 0.559 nan 8.230 nan 0.000 0.509 574 P HA -0.073 nan 4.420 nan 0.000 0.216 574 P C 1.795 179.133 177.300 0.063 0.000 1.153 574 P CA 1.283 64.447 63.100 0.108 0.000 0.844 574 P CB 0.124 31.864 31.700 0.066 0.000 0.787 575 V N -0.017 119.908 119.914 0.019 0.000 2.236 575 V HA -0.300 3.820 4.120 -0.000 0.000 0.255 575 V C 2.441 178.517 176.094 -0.029 0.000 1.068 575 V CA 2.046 64.338 62.300 -0.012 0.000 1.044 575 V CB -1.491 30.308 31.823 -0.039 0.000 0.653 575 V HN 0.062 nan 8.190 nan 0.000 0.448 576 L N -2.212 118.965 121.223 -0.077 0.000 2.071 576 L HA -0.033 4.307 4.340 -0.000 0.000 0.201 576 L C 2.481 179.210 176.870 -0.233 0.000 1.076 576 L CA 1.506 56.207 54.840 -0.232 0.000 0.755 576 L CB -0.543 41.225 42.059 -0.485 0.000 0.915 576 L HN 0.271 nan 8.230 nan 0.000 0.445 577 Y N 0.093 120.448 120.300 0.092 0.000 2.517 577 Y HA 0.257 4.807 4.550 -0.000 0.000 0.281 577 Y C 1.682 177.710 175.900 0.213 0.000 1.125 577 Y CA 0.374 58.546 58.100 0.119 0.000 1.283 577 Y CB -0.529 37.912 38.460 -0.030 0.000 1.042 577 Y HN 0.294 nan 8.280 nan 0.000 0.547 578 G N 0.095 109.053 108.800 0.264 0.000 2.562 578 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.250 578 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.250 578 G C -0.285 174.768 174.900 0.255 0.000 1.269 578 G CA -0.124 45.091 45.100 0.191 0.000 0.919 578 G HN 0.276 nan 8.290 nan 0.000 0.574 579 S N -1.337 114.424 115.700 0.102 0.000 2.550 579 S HA 0.543 5.013 4.470 -0.000 0.000 0.270 579 S C -0.125 174.359 174.600 -0.194 0.000 1.145 579 S CA -0.669 57.528 58.200 -0.005 0.000 0.852 579 S CB 1.449 64.667 63.200 0.030 0.000 1.119 579 S HN 0.908 nan 8.310 nan 0.000 0.465 580 L N 3.726 124.733 121.223 -0.361 0.000 2.448 580 L HA 0.335 4.675 4.340 -0.000 0.000 0.278 580 L C 0.598 177.347 176.870 -0.202 0.000 1.201 580 L CA 0.122 54.750 54.840 -0.353 0.000 1.036 580 L CB -1.422 40.340 42.059 -0.494 0.000 1.325 580 L HN 1.078 nan 8.230 nan 0.000 0.441 586 G N 3.089 111.872 108.800 -0.027 0.000 2.774 586 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.279 586 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.279 586 G C -1.557 173.313 174.900 -0.049 0.000 1.372 586 G CA 0.186 45.274 45.100 -0.021 0.000 0.913 586 G HN 0.424 nan 8.290 nan 0.000 0.562 587 P HA 0.295 nan 4.420 nan 0.000 0.275 587 P C 1.185 178.381 177.300 -0.173 0.000 1.310 587 P CA 0.599 63.622 63.100 -0.127 0.000 0.904 587 P CB 0.753 32.360 31.700 -0.156 0.000 1.381 588 V N -0.174 119.685 119.914 -0.091 0.000 3.090 588 V HA 0.188 4.308 4.120 -0.000 0.000 0.237 588 V C 2.439 178.571 176.094 0.064 0.000 1.209 588 V CA 1.271 63.549 62.300 -0.036 0.000 1.209 588 V CB -0.745 31.116 31.823 0.063 0.000 0.971 588 V HN -0.018 nan 8.190 nan 0.000 0.477 589 A N 1.010 123.874 122.820 0.073 0.000 1.972 589 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 589 A C 2.452 179.987 177.584 -0.081 0.000 1.169 589 A CA 2.281 54.322 52.037 0.007 0.000 0.635 589 A CB -0.600 18.365 19.000 -0.059 0.000 0.810 589 A HN 0.684 nan 8.150 nan 0.000 0.446 590 S N -0.036 115.626 115.700 -0.063 0.000 2.402 590 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 590 S C 1.799 176.372 174.600 -0.045 0.000 1.021 590 S CA 1.385 59.544 58.200 -0.068 0.000 0.974 590 S CB -0.331 62.831 63.200 -0.064 0.000 0.800 590 S HN 0.615 nan 8.310 nan 0.000 0.484 591 K N 0.712 121.097 120.400 -0.025 0.000 2.148 591 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 591 K C 2.051 178.668 176.600 0.028 0.000 1.050 591 K CA 1.182 57.475 56.287 0.011 0.000 0.942 591 K CB -0.365 32.160 32.500 0.041 0.000 0.724 591 K HN 0.274 nan 8.250 nan 0.000 0.446 592 V N 1.388 121.315 119.914 0.022 0.000 2.323 592 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 592 V C 2.125 178.202 176.094 -0.028 0.000 1.041 592 V CA 1.266 63.573 62.300 0.011 0.000 1.025 592 V CB -0.303 31.539 31.823 0.032 0.000 0.656 592 V HN 0.227 nan 8.190 nan 0.000 0.451 593 L N 0.644 121.817 121.223 -0.083 0.000 2.131 593 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 593 L C 2.431 179.311 176.870 0.017 0.000 1.092 593 L CA 2.103 56.898 54.840 -0.074 0.000 0.759 593 L CB -0.653 41.325 42.059 -0.135 0.000 0.903 593 L HN 0.245 nan 8.230 nan 0.000 0.435 594 A N -0.686 122.133 122.820 -0.001 0.000 1.933 594 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 594 A C 2.182 179.775 177.584 0.014 0.000 1.175 594 A CA 1.802 53.843 52.037 0.006 0.000 0.628 594 A CB -0.763 18.238 19.000 0.002 0.000 0.814 594 A HN 0.483 nan 8.150 nan 0.000 0.444 595 L N -2.288 118.948 121.223 0.022 0.000 2.156 595 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 595 L C 2.533 179.405 176.870 0.002 0.000 1.095 595 L CA 1.327 56.178 54.840 0.018 0.000 0.770 595 L CB -0.585 41.486 42.059 0.021 0.000 0.914 595 L HN 0.589 nan 8.230 nan 0.000 0.439 596 Y N 1.165 121.377 120.300 -0.146 0.000 2.200 596 Y HA -0.227 4.323 4.550 -0.000 0.000 0.290 596 Y C 2.448 178.233 175.900 -0.192 0.000 1.137 596 Y CA 1.675 59.616 58.100 -0.265 0.000 1.163 596 Y CB 0.044 38.289 38.460 -0.358 0.000 0.988 596 Y HN 0.138 nan 8.280 nan 0.000 0.518 597 E N -0.212 119.941 120.200 -0.079 0.000 2.158 597 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 597 E C 1.894 178.426 176.600 -0.114 0.000 0.982 597 E CA 0.744 57.075 56.400 -0.116 0.000 0.823 597 E CB 0.038 29.732 29.700 -0.010 0.000 0.766 597 E HN 0.416 nan 8.360 nan 0.000 0.468 598 K N 0.179 120.535 120.400 -0.074 0.000 2.366 598 K HA -0.006 4.314 4.320 -0.000 0.000 0.198 598 K C 1.816 178.385 176.600 -0.052 0.000 1.044 598 K CA 0.413 56.672 56.287 -0.046 0.000 0.973 598 K CB 0.199 32.689 32.500 -0.016 0.000 0.767 598 K HN 0.137 nan 8.250 nan 0.000 0.475 599 I N 0.558 121.077 120.570 -0.085 0.000 3.427 599 I HA -0.076 4.094 4.170 -0.000 0.000 0.288 599 I C 1.159 177.241 176.117 -0.059 0.000 1.249 599 I CA 0.407 61.681 61.300 -0.044 0.000 1.421 599 I CB 0.401 38.418 38.000 0.027 0.000 1.086 599 I HN 0.067 nan 8.210 nan 0.000 0.448 600 L N 1.014 122.151 121.223 -0.143 0.000 2.610 600 L HA 0.182 4.522 4.340 -0.000 0.000 0.232 600 L C 0.872 177.707 176.870 -0.058 0.000 1.149 600 L CA -0.056 54.712 54.840 -0.119 0.000 0.872 600 L CB -0.625 41.310 42.059 -0.206 0.000 0.992 600 L HN 0.238 nan 8.230 nan 0.000 0.447 606 G N -0.097 108.644 108.800 -0.099 0.000 2.667 606 G HA2 0.723 4.683 3.960 -0.000 0.000 0.310 606 G HA3 0.723 4.683 3.960 -0.000 0.000 0.310 606 G C 0.120 175.004 174.900 -0.028 0.000 1.259 606 G CA -0.115 44.917 45.100 -0.113 0.000 1.019 606 G HN 1.272 nan 8.290 nan 0.000 0.496 607 G N -1.445 107.346 108.800 -0.014 0.000 2.434 607 G HA2 0.288 4.248 3.960 -0.000 0.000 0.671 607 G HA3 0.288 4.248 3.960 -0.000 0.000 0.671 607 G C 0.835 175.767 174.900 0.053 0.000 1.280 607 G CA 0.708 45.821 45.100 0.021 0.000 0.975 607 G HN 1.822 nan 8.290 nan 0.000 0.510 608 S N -0.854 114.875 115.700 0.049 0.000 2.524 608 S HA 0.147 4.617 4.470 -0.000 0.000 0.216 608 S C 1.753 176.388 174.600 0.059 0.000 0.987 608 S CA 1.168 59.401 58.200 0.055 0.000 0.909 608 S CB 0.226 63.450 63.200 0.040 0.000 0.781 608 S HN 0.690 nan 8.310 nan 0.000 0.521 609 K N 0.832 121.269 120.400 0.061 0.000 2.097 609 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 609 K C 2.035 178.664 176.600 0.048 0.000 1.050 609 K CA 1.470 57.787 56.287 0.050 0.000 0.938 609 K CB -0.325 32.204 32.500 0.049 0.000 0.718 609 K HN 0.573 nan 8.250 nan 0.000 0.442 610 H N 0.666 119.728 119.070 -0.012 0.000 2.352 610 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 610 H C 1.698 177.011 175.328 -0.024 0.000 1.097 610 H CA 1.840 57.876 56.048 -0.020 0.000 1.311 610 H CB 0.030 29.783 29.762 -0.015 0.000 1.377 610 H HN 0.085 nan 8.280 nan 0.000 0.504 611 I N 0.044 120.651 120.570 0.061 0.000 2.353 611 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 611 I C 2.690 178.778 176.117 -0.049 0.000 1.119 611 I CA 0.877 62.181 61.300 0.007 0.000 1.417 611 I CB -0.329 37.701 38.000 0.050 0.000 1.078 611 I HN 0.417 nan 8.210 nan 0.000 0.421 612 A N 0.703 123.502 122.820 -0.035 0.000 1.898 612 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 612 A C 2.523 180.037 177.584 -0.116 0.000 1.181 612 A CA 1.727 53.733 52.037 -0.050 0.000 0.620 612 A CB -0.821 18.172 19.000 -0.011 0.000 0.819 612 A HN 0.397 nan 8.150 nan 0.000 0.442 613 A N -0.965 121.769 122.820 -0.144 0.000 1.969 613 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 613 A C 2.105 179.547 177.584 -0.237 0.000 1.169 613 A CA 1.445 53.363 52.037 -0.199 0.000 0.635 613 A CB -0.448 18.436 19.000 -0.193 0.000 0.810 613 A HN 0.640 nan 8.150 nan 0.000 0.445 614 Q N -0.533 119.117 119.800 -0.249 0.000 2.079 614 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 614 Q C 2.335 178.241 176.000 -0.156 0.000 0.974 614 Q CA 2.005 57.679 55.803 -0.214 0.000 0.840 614 Q CB -0.355 28.261 28.738 -0.204 0.000 0.898 614 Q HN 0.894 nan 8.270 nan 0.000 0.430 615 T N -1.541 112.929 114.554 -0.139 0.000 2.821 615 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 615 T C 2.024 176.613 174.700 -0.184 0.000 1.046 615 T CA 1.042 63.073 62.100 -0.115 0.000 1.139 615 T CB -0.557 68.267 68.868 -0.074 0.000 0.871 615 T HN -0.000 nan 8.240 nan 0.000 0.454 616 V N 1.638 121.378 119.914 -0.290 0.000 2.407 616 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 616 V C 3.016 178.887 176.094 -0.370 0.000 1.055 616 V CA 1.824 63.821 62.300 -0.506 0.000 1.049 616 V CB -0.960 30.506 31.823 -0.597 0.000 0.662 616 V HN 0.580 nan 8.190 nan 0.000 0.455 617 S N -0.283 115.263 115.700 -0.258 0.000 2.383 617 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 617 S C 2.114 176.643 174.600 -0.119 0.000 1.030 617 S CA 1.647 59.735 58.200 -0.187 0.000 1.002 617 S CB -0.177 62.928 63.200 -0.158 0.000 0.829 617 S HN 0.617 nan 8.310 nan 0.000 0.467 618 R N 0.099 120.541 120.500 -0.096 0.000 2.210 618 R HA 0.227 4.567 4.340 -0.000 0.000 0.203 618 R C 1.960 178.257 176.300 -0.003 0.000 1.010 618 R CA 0.828 56.906 56.100 -0.038 0.000 1.008 618 R CB -0.186 30.099 30.300 -0.025 0.000 0.923 618 R HN 0.236 nan 8.270 nan 0.000 0.469 619 S N 1.279 116.956 115.700 -0.038 0.000 2.607 619 S HA 0.115 4.585 4.470 -0.000 0.000 0.224 619 S C 1.661 176.374 174.600 0.188 0.000 0.969 619 S CA 0.282 58.516 58.200 0.056 0.000 0.927 619 S CB -0.027 63.171 63.200 -0.003 0.000 0.772 619 S HN 0.235 nan 8.310 nan 0.000 0.533 620 L N 0.884 122.190 121.223 0.138 0.000 2.191 620 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 620 L C 1.815 178.966 176.870 0.467 0.000 1.103 620 L CA 0.746 55.775 54.840 0.314 0.000 0.769 620 L CB -0.893 41.245 42.059 0.132 0.000 0.908 620 L HN 0.412 nan 8.230 nan 0.000 0.438 621 A N -0.388 122.605 122.820 0.289 0.000 2.798 621 A HA -0.172 4.148 4.320 -0.000 0.000 0.282 621 A C 0.182 177.865 177.584 0.165 0.000 1.464 621 A CA 0.958 53.123 52.037 0.214 0.000 0.844 621 A CB -1.944 17.192 19.000 0.227 0.000 1.006 621 A HN 0.213 nan 8.150 nan 0.000 0.577 622 V N 0.833 120.856 119.914 0.181 0.000 2.777 622 V HA 0.520 4.640 4.120 -0.000 0.000 0.306 622 V C -2.309 173.847 176.094 0.103 0.000 1.112 622 V CA -0.967 61.421 62.300 0.147 0.000 0.917 622 V CB 2.395 34.353 31.823 0.224 0.000 1.018 622 V HN 0.419 nan 8.190 nan 0.000 0.426 623 P HA 0.294 nan 4.420 nan 0.000 0.271 623 P C -0.595 176.729 177.300 0.040 0.000 1.233 623 P CA 0.195 63.325 63.100 0.051 0.000 0.764 623 P CB 0.503 32.231 31.700 0.046 0.000 0.825 624 I N 2.005 122.589 120.570 0.022 0.000 2.607 624 I HA 0.625 4.795 4.170 -0.000 0.000 0.305 624 I C -2.086 174.029 176.117 -0.003 0.000 0.995 624 I CA -3.084 58.212 61.300 -0.006 0.000 1.148 624 I CB 1.052 39.036 38.000 -0.028 0.000 1.323 624 I HN 0.115 nan 8.210 nan 0.000 0.461 625 P HA 0.068 nan 4.420 nan 0.000 0.270 625 P C -0.369 176.951 177.300 0.033 0.000 1.227 625 P CA -0.197 62.911 63.100 0.013 0.000 0.788 625 P CB 0.365 32.069 31.700 0.007 0.000 0.926 626 S N -1.399 114.333 115.700 0.054 0.000 2.652 626 S HA 0.478 4.948 4.470 -0.000 0.000 0.270 626 S C 1.272 175.917 174.600 0.075 0.000 1.243 626 S CA 0.005 58.237 58.200 0.054 0.000 0.999 626 S CB 0.501 63.729 63.200 0.047 0.000 0.973 626 S HN 0.975 nan 8.310 nan 0.000 0.544 627 G N 0.256 109.098 108.800 0.070 0.000 2.200 627 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.268 627 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.268 627 G C 0.698 175.678 174.900 0.134 0.000 0.986 627 G CA 0.827 45.980 45.100 0.089 0.000 0.677 627 G HN 1.012 nan 8.290 nan 0.000 0.532 628 T N -0.538 114.095 114.554 0.132 0.000 3.129 628 T HA 0.330 4.680 4.350 -0.000 0.000 0.251 628 T C 2.412 177.208 174.700 0.159 0.000 1.117 628 T CA 0.971 63.183 62.100 0.187 0.000 1.034 628 T CB -0.147 68.794 68.868 0.122 0.000 0.968 628 T HN 0.330 nan 8.240 nan 0.000 0.526 629 I N 2.739 123.367 120.570 0.097 0.000 2.162 629 I HA 0.007 4.176 4.170 -0.000 0.000 0.238 629 I C -0.568 175.581 176.117 0.054 0.000 1.076 629 I CA 0.930 62.257 61.300 0.044 0.000 1.353 629 I CB -1.185 36.825 38.000 0.017 0.000 1.063 629 I HN 0.150 nan 8.210 nan 0.000 0.408 630 P HA -0.208 nan 4.420 nan 0.000 0.221 630 P C 1.762 179.129 177.300 0.111 0.000 1.145 630 P CA 1.519 64.662 63.100 0.072 0.000 0.795 630 P CB -0.138 31.604 31.700 0.070 0.000 0.775 631 F N 1.038 120.978 119.950 -0.018 0.000 2.187 631 F HA -0.017 4.510 4.527 -0.000 0.000 0.295 631 F C 2.079 177.866 175.800 -0.020 0.000 1.091 631 F CA 0.476 58.457 58.000 -0.031 0.000 1.308 631 F CB -1.128 37.922 39.000 0.082 0.000 1.030 631 F HN -0.265 nan 8.300 nan 0.000 0.487 632 L N 0.681 121.830 121.223 -0.124 0.000 2.046 632 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 632 L C 2.189 178.917 176.870 -0.237 0.000 1.077 632 L CA 1.743 56.428 54.840 -0.258 0.000 0.747 632 L CB -0.925 41.038 42.059 -0.159 0.000 0.896 632 L HN 0.113 nan 8.230 nan 0.000 0.432 633 I N -0.397 120.078 120.570 -0.157 0.000 2.163 633 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 633 I C 2.647 178.682 176.117 -0.136 0.000 1.085 633 I CA 1.239 62.441 61.300 -0.162 0.000 1.347 633 I CB -1.577 36.331 38.000 -0.153 0.000 1.044 633 I HN 0.346 nan 8.210 nan 0.000 0.408 634 R N 0.962 121.406 120.500 -0.094 0.000 2.096 634 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 634 R C 2.358 178.594 176.300 -0.106 0.000 1.139 634 R CA 1.353 57.418 56.100 -0.058 0.000 0.952 634 R CB -1.041 29.260 30.300 0.001 0.000 0.854 634 R HN 0.433 nan 8.270 nan 0.000 0.436 635 L N 0.374 121.461 121.223 -0.226 0.000 2.072 635 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 635 L C 2.610 179.389 176.870 -0.152 0.000 1.079 635 L CA 0.788 55.496 54.840 -0.221 0.000 0.752 635 L CB -0.492 41.334 42.059 -0.389 0.000 0.906 635 L HN 0.117 nan 8.230 nan 0.000 0.436 636 L N -0.504 120.610 121.223 -0.182 0.000 2.042 636 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 636 L C 2.852 179.665 176.870 -0.095 0.000 1.076 636 L CA 1.291 56.035 54.840 -0.161 0.000 0.749 636 L CB -0.466 41.469 42.059 -0.207 0.000 0.893 636 L HN 0.367 nan 8.230 nan 0.000 0.432 637 Q N -0.023 119.732 119.800 -0.076 0.000 2.014 637 Q HA -0.273 4.067 4.340 -0.000 0.000 0.207 637 Q C 2.309 178.317 176.000 0.014 0.000 0.993 637 Q CA 2.040 57.830 55.803 -0.021 0.000 0.850 637 Q CB -0.375 28.365 28.738 0.003 0.000 0.916 637 Q HN 0.535 nan 8.270 nan 0.000 0.417 638 I N 0.873 121.451 120.570 0.015 0.000 2.145 638 I HA -0.330 3.840 4.170 -0.000 0.000 0.244 638 I C 2.448 178.629 176.117 0.107 0.000 1.075 638 I CA 1.188 62.522 61.300 0.057 0.000 1.332 638 I CB -0.531 37.499 38.000 0.051 0.000 1.033 638 I HN 0.188 nan 8.210 nan 0.000 0.410 639 A N 0.327 123.188 122.820 0.069 0.000 2.076 639 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 639 A C 2.195 179.850 177.584 0.118 0.000 1.160 639 A CA 1.567 53.657 52.037 0.088 0.000 0.653 639 A CB -0.614 18.372 19.000 -0.023 0.000 0.801 639 A HN 0.478 nan 8.150 nan 0.000 0.455 640 L N -1.151 120.133 121.223 0.103 0.000 2.463 640 L HA 0.077 4.417 4.340 -0.000 0.000 0.219 640 L C 1.446 178.424 176.870 0.178 0.000 1.088 640 L CA 0.565 55.477 54.840 0.120 0.000 0.849 640 L CB 0.054 42.148 42.059 0.059 0.000 1.012 640 L HN 0.365 nan 8.230 nan 0.000 0.468 641 T N -0.118 114.528 114.554 0.154 0.000 2.884 641 T HA 0.143 4.493 4.350 -0.000 0.000 0.298 641 T C -1.265 173.502 174.700 0.111 0.000 0.998 641 T CA -1.707 60.452 62.100 0.098 0.000 1.124 641 T CB 1.155 70.052 68.868 0.049 0.000 0.931 641 T HN -0.103 nan 8.240 nan 0.000 0.531 642 P HA -0.170 nan 4.420 nan 0.000 0.213 642 P C 0.939 178.033 177.300 -0.344 0.000 1.170 642 P CA 1.549 64.521 63.100 -0.213 0.000 0.902 642 P CB -0.025 31.293 31.700 -0.638 0.000 0.789 643 H N -1.738 117.238 119.070 -0.157 0.000 2.539 643 H HA 0.204 4.760 4.556 -0.000 0.000 0.269 643 H C 1.713 176.926 175.328 -0.191 0.000 0.980 643 H CA 0.176 56.112 56.048 -0.186 0.000 1.152 643 H CB 0.046 29.746 29.762 -0.104 0.000 1.407 643 H HN 0.038 nan 8.280 nan 0.000 0.564 644 V N 0.309 120.175 119.914 -0.080 0.000 3.212 644 V HA -0.128 3.992 4.120 -0.000 0.000 0.244 644 V C 1.961 178.072 176.094 0.029 0.000 1.151 644 V CA 0.408 62.713 62.300 0.008 0.000 1.119 644 V CB -0.384 31.480 31.823 0.068 0.000 0.838 644 V HN 0.354 nan 8.190 nan 0.000 0.470 645 Y N 0.928 121.286 120.300 0.097 0.000 2.483 645 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 645 Y C 2.163 178.113 175.900 0.083 0.000 1.143 645 Y CA 0.348 58.500 58.100 0.086 0.000 1.289 645 Y CB -1.155 37.350 38.460 0.074 0.000 0.983 645 Y HN 0.180 nan 8.280 nan 0.000 0.556 646 Q N 1.782 121.592 119.800 0.018 0.000 2.066 646 Q HA -0.296 4.044 4.340 -0.000 0.000 0.216 646 Q C 1.980 178.050 176.000 0.116 0.000 1.035 646 Q CA 2.653 58.496 55.803 0.067 0.000 0.897 646 Q CB -0.602 28.119 28.738 -0.028 0.000 1.010 646 Q HN 0.653 nan 8.270 nan 0.000 0.416 647 K N 0.181 120.626 120.400 0.075 0.000 2.148 647 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 647 K C 2.372 178.957 176.600 -0.025 0.000 1.050 647 K CA 0.628 56.895 56.287 -0.032 0.000 0.942 647 K CB -0.102 32.327 32.500 -0.117 0.000 0.724 647 K HN 0.195 nan 8.250 nan 0.000 0.446 648 L N 0.947 122.241 121.223 0.118 0.000 2.056 648 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 648 L C 2.644 179.578 176.870 0.106 0.000 1.078 648 L CA 1.190 56.109 54.840 0.131 0.000 0.749 648 L CB -0.496 41.662 42.059 0.164 0.000 0.901 648 L HN 0.294 nan 8.230 nan 0.000 0.433 649 E N 0.793 121.085 120.200 0.155 0.000 2.085 649 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 649 E C 2.261 178.927 176.600 0.109 0.000 0.994 649 E CA 1.486 57.970 56.400 0.140 0.000 0.801 649 E CB -0.051 29.780 29.700 0.219 0.000 0.743 649 E HN 0.314 nan 8.360 nan 0.000 0.453 650 L N 0.734 122.005 121.223 0.081 0.000 2.083 650 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 650 L C 2.336 179.241 176.870 0.057 0.000 1.083 650 L CA 1.278 56.147 54.840 0.048 0.000 0.752 650 L CB -0.360 41.696 42.059 -0.005 0.000 0.899 650 L HN 0.228 nan 8.230 nan 0.000 0.433 651 L N -0.811 120.440 121.223 0.047 0.000 2.209 651 L HA 0.187 4.527 4.340 -0.000 0.000 0.207 651 L C 2.226 179.209 176.870 0.189 0.000 1.094 651 L CA 1.621 56.523 54.840 0.103 0.000 0.790 651 L CB -0.987 41.109 42.059 0.062 0.000 0.932 651 L HN 0.252 nan 8.230 nan 0.000 0.447 652 G N -1.182 107.701 108.800 0.139 0.000 2.404 652 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.215 652 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.215 652 G C 1.396 176.416 174.900 0.201 0.000 1.174 652 G CA 0.679 45.873 45.100 0.156 0.000 0.780 652 G HN 0.393 nan 8.290 nan 0.000 0.537 653 D N 1.120 121.616 120.400 0.161 0.000 2.133 653 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 653 D C 2.761 179.148 176.300 0.145 0.000 0.997 653 D CA 1.394 55.480 54.000 0.143 0.000 0.840 653 D CB -0.263 40.603 40.800 0.111 0.000 0.947 653 D HN 0.237 nan 8.370 nan 0.000 0.452 654 A N -0.052 122.875 122.820 0.180 0.000 1.873 654 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 654 A C 2.237 179.949 177.584 0.213 0.000 1.186 654 A CA 1.222 53.388 52.037 0.215 0.000 0.616 654 A CB -1.154 18.017 19.000 0.285 0.000 0.823 654 A HN 0.363 nan 8.150 nan 0.000 0.442 655 F N 0.177 120.176 119.950 0.083 0.000 2.134 655 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 655 F C 1.849 177.575 175.800 -0.122 0.000 1.097 655 F CA 1.692 59.567 58.000 -0.208 0.000 1.264 655 F CB -0.226 38.636 39.000 -0.229 0.000 1.001 655 F HN 0.210 nan 8.300 nan 0.000 0.479 656 L N 1.113 122.370 121.223 0.057 0.000 2.046 656 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 656 L C 2.440 179.268 176.870 -0.069 0.000 1.077 656 L CA 2.213 57.066 54.840 0.022 0.000 0.747 656 L CB -1.126 41.038 42.059 0.176 0.000 0.896 656 L HN 0.244 nan 8.230 nan 0.000 0.432 657 K N -1.050 119.327 120.400 -0.039 0.000 2.032 657 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 657 K C 2.378 178.906 176.600 -0.120 0.000 1.048 657 K CA 1.998 58.257 56.287 -0.047 0.000 0.927 657 K CB -0.776 31.720 32.500 -0.008 0.000 0.712 657 K HN 0.597 nan 8.250 nan 0.000 0.441 658 C N 0.232 119.407 119.300 -0.209 0.000 2.440 658 C HA -0.011 4.449 4.460 -0.000 0.000 0.278 658 C C 2.913 177.686 174.990 -0.363 0.000 1.295 658 C CA 1.513 60.348 59.018 -0.305 0.000 1.738 658 C CB -0.934 26.563 27.740 -0.405 0.000 1.987 658 C HN 0.671 nan 8.230 nan 0.000 0.492 659 S N -0.418 114.981 115.700 -0.501 0.000 2.377 659 S HA 0.030 4.500 4.470 -0.000 0.000 0.223 659 S C 1.839 176.439 174.600 0.001 0.000 1.030 659 S CA 1.223 59.193 58.200 -0.383 0.000 0.970 659 S CB -0.354 62.479 63.200 -0.612 0.000 0.830 659 S HN 0.703 nan 8.310 nan 0.000 0.473 660 L N 1.171 122.390 121.223 -0.006 0.000 2.046 660 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 660 L C 2.844 179.749 176.870 0.060 0.000 1.077 660 L CA 1.310 56.189 54.840 0.065 0.000 0.747 660 L CB -0.625 41.444 42.059 0.017 0.000 0.896 660 L HN 0.409 nan 8.230 nan 0.000 0.432 661 A N -0.383 122.432 122.820 -0.008 0.000 1.908 661 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 661 A C 2.268 179.873 177.584 0.034 0.000 1.181 661 A CA 1.793 53.826 52.037 -0.007 0.000 0.627 661 A CB -0.700 18.260 19.000 -0.067 0.000 0.818 661 A HN 0.445 nan 8.150 nan 0.000 0.445 662 L N -1.939 119.285 121.223 0.003 0.000 2.095 662 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 662 L C 2.503 179.401 176.870 0.047 0.000 1.080 662 L CA 1.587 56.452 54.840 0.042 0.000 0.759 662 L CB -0.363 41.694 42.059 -0.004 0.000 0.914 662 L HN 0.551 nan 8.230 nan 0.000 0.439 663 H N -0.569 118.529 119.070 0.046 0.000 2.387 663 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 663 H C 2.199 177.558 175.328 0.053 0.000 1.090 663 H CA 1.828 57.898 56.048 0.035 0.000 1.332 663 H CB 0.092 29.860 29.762 0.009 0.000 1.386 663 H HN 0.267 nan 8.280 nan 0.000 0.516 664 L N -0.963 120.381 121.223 0.201 0.000 2.131 664 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 664 L C 2.339 179.323 176.870 0.190 0.000 1.087 664 L CA 0.979 55.939 54.840 0.201 0.000 0.767 664 L CB -0.297 41.860 42.059 0.162 0.000 0.917 664 L HN 0.358 nan 8.230 nan 0.000 0.441 665 H N 0.401 119.511 119.070 0.068 0.000 2.422 665 H HA -0.163 4.393 4.556 -0.000 0.000 0.298 665 H C 2.000 177.343 175.328 0.024 0.000 1.098 665 H CA 1.550 57.629 56.048 0.051 0.000 1.315 665 H CB 0.227 30.020 29.762 0.052 0.000 1.382 665 H HN 0.307 nan 8.280 nan 0.000 0.523 666 A N -0.107 122.696 122.820 -0.029 0.000 1.887 666 A HA 0.075 4.395 4.320 -0.000 0.000 0.212 666 A C 2.455 179.932 177.584 -0.180 0.000 1.198 666 A CA 0.808 52.772 52.037 -0.122 0.000 0.628 666 A CB -0.562 18.414 19.000 -0.039 0.000 0.847 666 A HN 0.412 nan 8.150 nan 0.000 0.449 667 L N -0.479 120.658 121.223 -0.145 0.000 2.201 667 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 667 L C 0.359 176.867 176.870 -0.603 0.000 1.105 667 L CA 0.644 55.288 54.840 -0.327 0.000 0.775 667 L CB -0.276 41.606 42.059 -0.295 0.000 0.913 667 L HN 0.426 nan 8.230 nan 0.000 0.440 668 H N -0.394 118.595 119.070 -0.136 0.000 2.541 668 H HA 0.197 4.753 4.556 0.000 0.000 0.246 668 H C -1.682 173.529 175.328 -0.195 0.000 1.341 668 H CA -1.550 54.408 56.048 -0.149 0.000 1.469 668 H CB 0.916 30.634 29.762 -0.073 0.000 1.472 668 H HN 0.039 nan 8.280 nan 0.000 0.503 669 P HA -0.114 nan 4.420 nan 0.000 0.221 669 P C 1.485 178.728 177.300 -0.094 0.000 1.150 669 P CA 1.144 64.055 63.100 -0.315 0.000 0.800 669 P CB 0.202 31.428 31.700 -0.790 0.000 0.787 670 T N -3.812 110.710 114.554 -0.053 0.000 3.060 670 T HA 0.178 4.528 4.350 -0.000 0.000 0.249 670 T C 0.851 175.584 174.700 0.055 0.000 1.079 670 T CA -0.197 61.927 62.100 0.040 0.000 1.013 670 T CB -0.525 68.372 68.868 0.048 0.000 0.975 670 T HN -0.092 nan 8.240 nan 0.000 0.518 671 L N 2.851 124.105 121.223 0.052 0.000 2.436 671 L HA 0.440 4.780 4.340 -0.000 0.000 0.265 671 L C 1.269 178.178 176.870 0.066 0.000 1.168 671 L CA -0.670 54.196 54.840 0.044 0.000 0.815 671 L CB 1.121 43.187 42.059 0.011 0.000 1.109 671 L HN 0.370 nan 8.230 nan 0.000 0.462 672 T N -3.163 111.423 114.554 0.053 0.000 2.864 672 T HA 0.154 4.504 4.350 -0.000 0.000 0.276 672 T C 0.873 175.605 174.700 0.054 0.000 1.006 672 T CA -0.638 61.502 62.100 0.067 0.000 0.970 672 T CB 1.215 70.120 68.868 0.061 0.000 1.420 672 T HN 0.666 nan 8.240 nan 0.000 0.601 673 E N 0.313 120.545 120.200 0.054 0.000 2.070 673 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 673 E C 2.103 178.716 176.600 0.023 0.000 1.004 673 E CA 1.775 58.198 56.400 0.039 0.000 0.805 673 E CB -1.007 28.720 29.700 0.045 0.000 0.744 673 E HN 0.805 nan 8.360 nan 0.000 0.451 674 G N 0.721 109.533 108.800 0.020 0.000 2.511 674 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 674 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 674 G C 1.668 176.565 174.900 -0.005 0.000 1.218 674 G CA 1.457 46.562 45.100 0.008 0.000 0.788 674 G HN 0.441 nan 8.290 nan 0.000 0.560 675 A N 0.415 123.227 122.820 -0.013 0.000 1.877 675 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 675 A C 2.470 180.026 177.584 -0.047 0.000 1.186 675 A CA 1.335 53.349 52.037 -0.039 0.000 0.620 675 A CB -0.505 18.461 19.000 -0.057 0.000 0.822 675 A HN 0.347 nan 8.150 nan 0.000 0.443 676 L N -0.499 120.708 121.223 -0.026 0.000 2.127 676 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 676 L C 2.711 179.576 176.870 -0.009 0.000 1.089 676 L CA 1.736 56.569 54.840 -0.011 0.000 0.757 676 L CB -0.826 41.252 42.059 0.032 0.000 0.899 676 L HN 0.411 nan 8.230 nan 0.000 0.434 677 T N -1.149 113.400 114.554 -0.008 0.000 2.668 677 T HA -0.149 4.201 4.350 -0.000 0.000 0.258 677 T C 1.999 176.690 174.700 -0.016 0.000 1.051 677 T CA 0.889 62.984 62.100 -0.008 0.000 1.155 677 T CB -0.145 68.721 68.868 -0.003 0.000 0.864 677 T HN 0.170 nan 8.240 nan 0.000 0.413 678 R N 0.411 120.899 120.500 -0.020 0.000 2.154 678 R HA -0.071 4.269 4.340 -0.000 0.000 0.248 678 R C 2.452 178.732 176.300 -0.033 0.000 1.155 678 R CA 1.573 57.658 56.100 -0.025 0.000 0.979 678 R CB -0.368 29.916 30.300 -0.027 0.000 0.869 678 R HN 0.430 nan 8.270 nan 0.000 0.452 679 M N -0.529 119.045 119.600 -0.044 0.000 2.074 679 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 679 M C 2.330 178.611 176.300 -0.033 0.000 1.079 679 M CA 1.939 57.209 55.300 -0.051 0.000 1.119 679 M CB -0.318 32.234 32.600 -0.081 0.000 1.297 679 M HN 0.080 nan 8.290 nan 0.000 0.416 680 R N 0.352 120.840 120.500 -0.021 0.000 2.152 680 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 680 R C 1.770 178.062 176.300 -0.013 0.000 1.117 680 R CA 1.434 57.527 56.100 -0.011 0.000 0.981 680 R CB -0.592 29.707 30.300 -0.001 0.000 0.870 680 R HN 0.491 nan 8.270 nan 0.000 0.451 681 Q N 1.012 120.803 119.800 -0.015 0.000 2.167 681 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 681 Q C 2.235 178.224 176.000 -0.019 0.000 0.970 681 Q CA 1.895 57.691 55.803 -0.013 0.000 0.855 681 Q CB 0.063 28.794 28.738 -0.011 0.000 0.911 681 Q HN 0.644 nan 8.270 nan 0.000 0.438 682 S N -0.130 115.554 115.700 -0.026 0.000 2.423 682 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 682 S C 1.641 176.216 174.600 -0.042 0.000 1.014 682 S CA 0.790 58.971 58.200 -0.033 0.000 0.965 682 S CB 0.090 63.268 63.200 -0.036 0.000 0.785 682 S HN 0.294 nan 8.310 nan 0.000 0.495 683 A N -0.037 122.758 122.820 -0.041 0.000 2.507 683 A HA 0.463 4.783 4.320 -0.000 0.000 0.270 683 A C 1.405 178.960 177.584 -0.048 0.000 1.318 683 A CA -0.236 51.768 52.037 -0.056 0.000 0.924 683 A CB -0.128 18.839 19.000 -0.056 0.000 1.061 683 A HN 0.546 nan 8.150 nan 0.000 0.516 684 E N -0.082 120.099 120.200 -0.031 0.000 2.541 684 E HA 0.031 4.381 4.350 -0.000 0.000 0.219 684 E C 0.360 176.954 176.600 -0.010 0.000 0.922 684 E CA 0.384 56.779 56.400 -0.008 0.000 1.095 684 E CB 0.570 30.275 29.700 0.008 0.000 1.112 684 E HN 0.629 nan 8.360 nan 0.000 0.516 685 T N -0.767 113.772 114.554 -0.024 0.000 2.900 685 T HA 0.026 4.376 4.350 -0.000 0.000 0.307 685 T C 1.042 175.725 174.700 -0.029 0.000 1.065 685 T CA -0.325 61.763 62.100 -0.020 0.000 1.105 685 T CB 1.267 70.121 68.868 -0.024 0.000 0.979 685 T HN -0.051 nan 8.240 nan 0.000 0.544 686 N N 1.422 120.115 118.700 -0.013 0.000 2.036 686 N HA -0.227 4.513 4.740 -0.000 0.000 0.195 686 N C 2.143 177.636 175.510 -0.028 0.000 1.037 686 N CA 2.175 55.220 53.050 -0.009 0.000 0.855 686 N CB -0.559 37.932 38.487 0.008 0.000 1.033 686 N HN 0.858 nan 8.380 nan 0.000 0.423 687 S N 0.356 116.040 115.700 -0.027 0.000 2.374 687 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 687 S C 2.329 176.884 174.600 -0.076 0.000 1.037 687 S CA 1.773 59.952 58.200 -0.035 0.000 1.024 687 S CB -0.994 62.189 63.200 -0.028 0.000 0.861 687 S HN 0.148 nan 8.310 nan 0.000 0.456 688 V N 2.558 122.414 119.914 -0.095 0.000 2.255 688 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 688 V C 2.635 178.588 176.094 -0.236 0.000 1.051 688 V CA 2.063 64.277 62.300 -0.143 0.000 1.018 688 V CB -0.941 30.805 31.823 -0.128 0.000 0.641 688 V HN 0.488 nan 8.190 nan 0.000 0.445 689 L N 0.342 121.405 121.223 -0.267 0.000 2.083 689 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 689 L C 2.661 179.306 176.870 -0.376 0.000 1.083 689 L CA 1.650 56.197 54.840 -0.488 0.000 0.752 689 L CB -1.252 40.612 42.059 -0.325 0.000 0.899 689 L HN 0.489 nan 8.230 nan 0.000 0.433 690 G N 0.007 108.717 108.800 -0.150 0.000 2.418 690 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 690 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 690 G C 1.708 176.519 174.900 -0.149 0.000 1.158 690 G CA 0.540 45.617 45.100 -0.038 0.000 0.771 690 G HN 0.272 nan 8.290 nan 0.000 0.545 691 R N -0.086 120.305 120.500 -0.180 0.000 2.113 691 R HA -0.069 4.271 4.340 -0.000 0.000 0.244 691 R C 2.634 178.778 176.300 -0.260 0.000 1.142 691 R CA 1.457 57.433 56.100 -0.205 0.000 0.953 691 R CB -0.598 29.597 30.300 -0.176 0.000 0.860 691 R HN 0.352 nan 8.270 nan 0.000 0.438 692 L N -0.139 120.879 121.223 -0.343 0.000 2.079 692 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 692 L C 2.345 178.966 176.870 -0.416 0.000 1.081 692 L CA 1.406 55.993 54.840 -0.422 0.000 0.752 692 L CB -0.797 40.850 42.059 -0.685 0.000 0.896 692 L HN 0.276 nan 8.230 nan 0.000 0.433 693 T N -0.333 114.086 114.554 -0.225 0.000 2.708 693 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 693 T C 1.809 176.402 174.700 -0.178 0.000 1.037 693 T CA 1.309 63.361 62.100 -0.081 0.000 1.146 693 T CB -0.151 68.790 68.868 0.122 0.000 0.865 693 T HN 0.311 nan 8.240 nan 0.000 0.435 694 K N 0.666 120.919 120.400 -0.244 0.000 2.442 694 K HA 0.042 4.362 4.320 -0.000 0.000 0.198 694 K C 2.296 178.795 176.600 -0.168 0.000 1.044 694 K CA 0.614 56.761 56.287 -0.233 0.000 0.948 694 K CB -0.027 32.295 32.500 -0.297 0.000 0.762 694 K HN 0.240 nan 8.250 nan 0.000 0.472 695 R N -0.106 120.250 120.500 -0.240 0.000 2.275 695 R HA 0.058 4.398 4.340 -0.000 0.000 0.199 695 R C -0.015 176.224 176.300 -0.102 0.000 0.989 695 R CA 0.069 56.053 56.100 -0.192 0.000 1.016 695 R CB 0.118 30.274 30.300 -0.241 0.000 0.918 695 R HN -0.010 nan 8.270 nan 0.000 0.473 696 F N 2.227 122.177 119.950 0.000 0.000 2.459 696 F HA 0.182 4.709 4.527 -0.000 0.000 0.346 696 F C -1.508 174.290 175.800 -0.003 0.000 1.128 696 F CA -3.386 54.619 58.000 0.007 0.000 1.268 696 F CB -0.299 38.710 39.000 0.014 0.000 1.161 696 F HN -0.188 nan 8.300 nan 0.000 0.583 697 P HA -0.113 nan 4.420 nan 0.000 0.262 697 P C 0.585 177.938 177.300 0.088 0.000 1.151 697 P CA 0.505 63.669 63.100 0.107 0.000 0.757 697 P CB 0.123 31.866 31.700 0.072 0.000 0.754 698 S N 1.232 116.965 115.700 0.054 0.000 2.559 698 S HA -0.139 4.331 4.470 -0.000 0.000 0.250 698 S C 1.537 176.164 174.600 0.046 0.000 0.977 698 S CA 1.032 59.255 58.200 0.038 0.000 0.958 698 S CB -1.096 62.116 63.200 0.020 0.000 0.751 698 S HN 0.309 nan 8.310 nan 0.000 0.534 699 V N 1.034 120.976 119.914 0.048 0.000 2.515 699 V HA -0.111 4.009 4.120 -0.000 0.000 0.250 699 V C 2.464 178.591 176.094 0.054 0.000 1.058 699 V CA 1.330 63.656 62.300 0.043 0.000 1.064 699 V CB -0.907 30.932 31.823 0.027 0.000 0.675 699 V HN 0.500 nan 8.190 nan 0.000 0.461 700 V N -0.044 119.914 119.914 0.072 0.000 2.379 700 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 700 V C 2.542 178.708 176.094 0.121 0.000 1.044 700 V CA 2.154 64.513 62.300 0.097 0.000 1.036 700 V CB -0.716 31.202 31.823 0.157 0.000 0.664 700 V HN 0.550 nan 8.190 nan 0.000 0.453 701 S N -0.396 115.363 115.700 0.099 0.000 2.382 701 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 701 S C 1.927 176.602 174.600 0.124 0.000 1.027 701 S CA 1.503 59.758 58.200 0.092 0.000 0.991 701 S CB -0.267 62.929 63.200 -0.006 0.000 0.823 701 S HN 0.673 nan 8.310 nan 0.000 0.469 702 E N 0.479 120.733 120.200 0.090 0.000 2.077 702 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 702 E C 2.065 178.723 176.600 0.097 0.000 0.989 702 E CA 1.119 57.569 56.400 0.084 0.000 0.800 702 E CB -0.137 29.599 29.700 0.059 0.000 0.746 702 E HN 0.251 nan 8.360 nan 0.000 0.452 703 V N 1.261 121.234 119.914 0.099 0.000 2.358 703 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 703 V C 2.167 178.346 176.094 0.142 0.000 1.047 703 V CA 1.433 63.792 62.300 0.099 0.000 1.035 703 V CB -0.348 31.524 31.823 0.082 0.000 0.658 703 V HN 0.265 nan 8.190 nan 0.000 0.452 704 I N -0.146 120.533 120.570 0.182 0.000 2.179 704 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 704 I C 2.221 178.482 176.117 0.239 0.000 1.088 704 I CA 1.877 63.317 61.300 0.234 0.000 1.357 704 I CB -0.385 37.749 38.000 0.224 0.000 1.051 704 I HN 0.221 nan 8.210 nan 0.000 0.409 705 I N 0.318 121.001 120.570 0.188 0.000 2.493 705 I HA -0.225 3.945 4.170 -0.000 0.000 0.254 705 I C 2.489 178.677 176.117 0.119 0.000 1.160 705 I CA 1.029 62.419 61.300 0.151 0.000 1.445 705 I CB -0.280 37.803 38.000 0.139 0.000 1.086 705 I HN 0.228 nan 8.210 nan 0.000 0.433 706 E N 1.008 121.270 120.200 0.104 0.000 2.076 706 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 706 E C 2.206 178.826 176.600 0.034 0.000 0.979 706 E CA 1.270 57.707 56.400 0.062 0.000 0.807 706 E CB 0.022 29.753 29.700 0.051 0.000 0.761 706 E HN 0.201 nan 8.360 nan 0.000 0.454 707 S N -0.421 115.305 115.700 0.044 0.000 2.428 707 S HA -0.021 4.449 4.470 -0.000 0.000 0.230 707 S C 0.031 174.462 174.600 -0.283 0.000 1.014 707 S CA 0.429 58.570 58.200 -0.099 0.000 0.957 707 S CB -0.226 62.927 63.200 -0.079 0.000 0.784 707 S HN 0.341 nan 8.310 nan 0.000 0.499 708 H N 1.409 120.471 119.070 -0.013 0.000 2.792 708 H HA 0.287 4.843 4.556 -0.000 0.000 0.298 708 H C -2.928 172.394 175.328 -0.011 0.000 1.042 708 H CA -2.087 53.947 56.048 -0.024 0.000 1.300 708 H CB 0.984 30.720 29.762 -0.044 0.000 1.431 708 H HN 0.188 nan 8.280 nan 0.000 0.496 709 P HA 0.032 nan 4.420 nan 0.000 0.276 709 P C -0.105 177.227 177.300 0.053 0.000 1.230 709 P CA -0.337 62.793 63.100 0.050 0.000 0.776 709 P CB 1.117 32.833 31.700 0.025 0.000 0.888 710 K N 1.303 121.732 120.400 0.048 0.000 3.419 710 K HA -0.180 4.140 4.320 -0.000 0.000 0.272 710 K C 0.103 176.724 176.600 0.036 0.000 0.973 710 K CA 0.491 56.803 56.287 0.040 0.000 0.749 710 K CB -1.746 30.773 32.500 0.032 0.000 1.403 710 K HN 0.522 nan 8.250 nan 0.000 0.456 711 I N -1.887 118.704 120.570 0.035 0.000 2.354 711 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 711 I C 0.196 176.326 176.117 0.021 0.000 0.989 711 I CA -0.607 60.691 61.300 -0.004 0.000 1.188 711 I CB 1.630 39.580 38.000 -0.084 0.000 1.342 711 I HN 0.028 nan 8.210 nan 0.000 0.457 712 Q N 6.060 125.874 119.800 0.023 0.000 2.259 712 Q HA 0.335 4.675 4.340 -0.000 0.000 0.246 712 Q C -1.604 174.473 176.000 0.127 0.000 0.920 712 Q CA -1.548 54.294 55.803 0.065 0.000 0.895 712 Q CB 1.245 30.009 28.738 0.042 0.000 1.220 712 Q HN 0.486 nan 8.270 nan 0.000 0.439 713 P HA -0.255 nan 4.420 nan 0.000 0.219 713 P C 0.308 177.750 177.300 0.237 0.000 1.151 713 P CA 1.597 64.843 63.100 0.244 0.000 0.850 713 P CB 0.087 31.838 31.700 0.086 0.000 0.784 714 D N -1.709 118.764 120.400 0.122 0.000 2.370 714 D HA 0.023 4.663 4.640 -0.000 0.000 0.230 714 D C 0.307 176.638 176.300 0.052 0.000 1.143 714 D CA -0.082 53.967 54.000 0.081 0.000 0.834 714 D CB -0.319 40.505 40.800 0.039 0.000 0.944 714 D HN 0.009 nan 8.370 nan 0.000 0.504 715 S N 0.385 116.101 115.700 0.027 0.000 2.576 715 S HA -0.002 4.468 4.470 -0.000 0.000 0.272 715 S C 1.456 176.011 174.600 -0.076 0.000 1.352 715 S CA -0.389 57.761 58.200 -0.085 0.000 1.021 715 S CB 0.979 64.019 63.200 -0.266 0.000 0.887 715 S HN 0.162 nan 8.310 nan 0.000 0.542 716 K N 2.100 122.454 120.400 -0.076 0.000 2.148 716 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 716 K C 2.033 178.585 176.600 -0.079 0.000 1.050 716 K CA 1.025 57.288 56.287 -0.039 0.000 0.942 716 K CB -0.663 31.834 32.500 -0.004 0.000 0.724 716 K HN 0.462 nan 8.250 nan 0.000 0.446 717 V N 1.314 121.107 119.914 -0.201 0.000 2.287 717 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 717 V C 2.157 178.104 176.094 -0.245 0.000 1.053 717 V CA 1.752 63.872 62.300 -0.299 0.000 1.027 717 V CB -0.818 30.654 31.823 -0.585 0.000 0.646 717 V HN 0.132 nan 8.190 nan 0.000 0.447 718 Y N 1.558 121.797 120.300 -0.103 0.000 2.128 718 Y HA -0.119 4.431 4.550 0.000 0.000 0.284 718 Y C 2.620 178.499 175.900 -0.034 0.000 1.154 718 Y CA 1.254 59.314 58.100 -0.067 0.000 1.149 718 Y CB -1.507 36.919 38.460 -0.057 0.000 0.976 718 Y HN 0.247 nan 8.280 nan 0.000 0.505 719 G N -0.377 108.488 108.800 0.108 0.000 2.421 719 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 719 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 719 G C 1.234 176.183 174.900 0.082 0.000 1.171 719 G CA 1.373 46.512 45.100 0.065 0.000 0.775 719 G HN 0.294 nan 8.290 nan 0.000 0.543 720 D N 0.052 120.453 120.400 0.001 0.000 2.224 720 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 720 D C 2.932 179.108 176.300 -0.207 0.000 0.965 720 D CA 1.521 55.491 54.000 -0.050 0.000 0.852 720 D CB -0.327 40.457 40.800 -0.027 0.000 0.947 720 D HN 0.462 nan 8.370 nan 0.000 0.494 721 T N -1.834 112.557 114.554 -0.272 0.000 2.985 721 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 721 T C 1.920 176.598 174.700 -0.036 0.000 1.076 721 T CA 0.137 62.052 62.100 -0.308 0.000 1.135 721 T CB -0.555 68.171 68.868 -0.236 0.000 0.890 721 T HN 0.079 nan 8.240 nan 0.000 0.480 722 F N 2.385 122.317 119.950 -0.030 0.000 2.075 722 F HA 0.014 4.541 4.527 -0.000 0.000 0.297 722 F C 2.349 178.184 175.800 0.060 0.000 1.113 722 F CA 1.557 59.593 58.000 0.060 0.000 1.218 722 F CB -0.251 38.784 39.000 0.059 0.000 0.984 722 F HN 0.117 nan 8.300 nan 0.000 0.472 723 E N 0.221 120.571 120.200 0.250 0.000 2.130 723 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 723 E C 2.295 178.904 176.600 0.014 0.000 0.998 723 E CA 1.149 57.639 56.400 0.150 0.000 0.806 723 E CB -0.419 29.378 29.700 0.161 0.000 0.738 723 E HN 0.543 nan 8.360 nan 0.000 0.459 724 A N 0.933 123.732 122.820 -0.035 0.000 1.898 724 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 724 A C 2.162 179.684 177.584 -0.104 0.000 1.181 724 A CA 0.957 52.971 52.037 -0.039 0.000 0.620 724 A CB -0.489 18.472 19.000 -0.065 0.000 0.819 724 A HN 0.144 nan 8.150 nan 0.000 0.442 725 I N -0.698 119.762 120.570 -0.183 0.000 2.208 725 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 725 I C 2.421 178.312 176.117 -0.377 0.000 1.097 725 I CA 1.234 62.367 61.300 -0.278 0.000 1.363 725 I CB -0.204 37.618 38.000 -0.297 0.000 1.051 725 I HN 0.407 nan 8.210 nan 0.000 0.413 726 L N 1.050 122.039 121.223 -0.389 0.000 2.083 726 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 726 L C 2.516 179.239 176.870 -0.245 0.000 1.083 726 L CA 2.100 56.744 54.840 -0.326 0.000 0.752 726 L CB -0.706 41.274 42.059 -0.133 0.000 0.899 726 L HN 0.178 nan 8.230 nan 0.000 0.433 727 A N -0.497 122.236 122.820 -0.146 0.000 1.898 727 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 727 A C 2.467 179.980 177.584 -0.118 0.000 1.181 727 A CA 1.672 53.653 52.037 -0.093 0.000 0.620 727 A CB -1.146 17.863 19.000 0.015 0.000 0.819 727 A HN 0.567 nan 8.150 nan 0.000 0.442 728 A N 0.138 122.867 122.820 -0.152 0.000 1.908 728 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 728 A C 2.112 179.543 177.584 -0.255 0.000 1.181 728 A CA 1.609 53.528 52.037 -0.197 0.000 0.627 728 A CB -0.661 18.211 19.000 -0.214 0.000 0.818 728 A HN 0.513 nan 8.150 nan 0.000 0.445 729 I N -0.647 119.737 120.570 -0.310 0.000 2.226 729 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 729 I C 2.485 178.451 176.117 -0.252 0.000 1.100 729 I CA 1.481 62.590 61.300 -0.320 0.000 1.374 729 I CB -0.376 37.353 38.000 -0.451 0.000 1.057 729 I HN 0.481 nan 8.210 nan 0.000 0.413 730 L N 0.882 121.925 121.223 -0.300 0.000 2.017 730 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 730 L C 2.263 179.103 176.870 -0.050 0.000 1.073 730 L CA 1.884 56.533 54.840 -0.318 0.000 0.745 730 L CB -0.552 41.148 42.059 -0.599 0.000 0.894 730 L HN 0.113 nan 8.230 nan 0.000 0.432 731 L N -0.427 120.807 121.223 0.018 0.000 2.141 731 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 731 L C 2.573 179.597 176.870 0.256 0.000 1.094 731 L CA 1.067 56.028 54.840 0.202 0.000 0.763 731 L CB -0.711 41.449 42.059 0.168 0.000 0.908 731 L HN 0.450 nan 8.230 nan 0.000 0.437 732 A N -1.853 120.979 122.820 0.021 0.000 1.997 732 A HA -0.063 4.257 4.320 -0.000 0.000 0.212 732 A C 2.000 179.676 177.584 0.154 0.000 1.178 732 A CA 0.933 53.014 52.037 0.075 0.000 0.698 732 A CB -0.378 18.418 19.000 -0.341 0.000 0.842 732 A HN 0.520 nan 8.150 nan 0.000 0.458 733 C N -1.765 117.507 119.300 -0.046 0.000 3.403 733 C HA 0.586 5.046 4.460 -0.000 0.000 0.317 733 C C 1.252 176.049 174.990 -0.322 0.000 1.346 733 C CA -0.153 58.728 59.018 -0.229 0.000 1.743 733 C CB -0.608 27.035 27.740 -0.161 0.000 2.308 733 C HN 1.113 nan 8.230 nan 0.000 0.675 734 G N 1.129 109.881 108.800 -0.080 0.000 2.541 734 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 734 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 734 G C -0.041 174.850 174.900 -0.015 0.000 1.286 734 G CA -0.082 45.051 45.100 0.056 0.000 0.894 734 G HN 0.287 nan 8.290 nan 0.000 0.575 735 E N 0.246 120.474 120.200 0.047 0.000 2.028 735 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 735 E C 2.356 179.027 176.600 0.120 0.000 0.988 735 E CA 1.660 58.073 56.400 0.021 0.000 0.799 735 E CB -0.092 29.673 29.700 0.108 0.000 0.755 735 E HN 0.791 nan 8.360 nan 0.000 0.447 736 E N 1.465 121.734 120.200 0.115 0.000 2.153 736 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 736 E C 2.015 178.691 176.600 0.126 0.000 0.988 736 E CA 1.133 57.609 56.400 0.126 0.000 0.811 736 E CB -0.173 29.585 29.700 0.097 0.000 0.746 736 E HN 0.194 nan 8.360 nan 0.000 0.466 737 A N 2.005 124.866 122.820 0.068 0.000 1.835 737 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 737 A C 2.646 180.296 177.584 0.110 0.000 1.199 737 A CA 2.177 54.247 52.037 0.055 0.000 0.615 737 A CB -1.326 17.655 19.000 -0.031 0.000 0.838 737 A HN 0.453 nan 8.150 nan 0.000 0.444 738 A N -0.687 122.148 122.820 0.024 0.000 1.917 738 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 738 A C 2.430 180.262 177.584 0.414 0.000 1.182 738 A CA 2.224 54.293 52.037 0.053 0.000 0.633 738 A CB -1.510 17.237 19.000 -0.422 0.000 0.819 738 A HN 0.884 nan 8.150 nan 0.000 0.448 739 G N -0.789 108.321 108.800 0.516 0.000 2.422 739 G HA2 0.018 3.978 3.960 -0.000 0.000 0.218 739 G HA3 0.018 3.978 3.960 -0.000 0.000 0.218 739 G C 1.699 176.853 174.900 0.423 0.000 1.146 739 G CA 1.407 46.835 45.100 0.546 0.000 0.769 739 G HN 0.818 nan 8.290 nan 0.000 0.547 740 A N 0.479 123.486 122.820 0.311 0.000 1.898 740 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 740 A C 2.142 179.852 177.584 0.209 0.000 1.181 740 A CA 1.447 53.619 52.037 0.225 0.000 0.620 740 A CB -0.570 18.535 19.000 0.175 0.000 0.819 740 A HN 0.406 nan 8.150 nan 0.000 0.442 741 F N 0.692 120.732 119.950 0.150 0.000 2.202 741 F HA -0.170 4.356 4.527 -0.000 0.000 0.301 741 F C 2.106 178.048 175.800 0.237 0.000 1.082 741 F CA 1.765 59.892 58.000 0.212 0.000 1.313 741 F CB -0.140 38.962 39.000 0.171 0.000 1.024 741 F HN 0.039 nan 8.300 nan 0.000 0.495 742 V N 1.977 122.031 119.914 0.233 0.000 2.270 742 V HA -0.310 3.810 4.120 -0.000 0.000 0.245 742 V C 2.592 178.584 176.094 -0.170 0.000 1.043 742 V CA 2.363 64.716 62.300 0.088 0.000 1.014 742 V CB -0.834 31.095 31.823 0.176 0.000 0.645 742 V HN 0.431 nan 8.190 nan 0.000 0.447 743 R N 0.215 120.513 120.500 -0.337 0.000 2.152 743 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 743 R C 1.876 178.011 176.300 -0.275 0.000 1.117 743 R CA 1.632 57.461 56.100 -0.452 0.000 0.981 743 R CB -0.408 29.600 30.300 -0.487 0.000 0.870 743 R HN 0.406 nan 8.270 nan 0.000 0.451 744 E N 0.086 120.120 120.200 -0.275 0.000 2.158 744 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 744 E C 1.493 177.748 176.600 -0.575 0.000 0.982 744 E CA 0.983 57.134 56.400 -0.414 0.000 0.823 744 E CB 0.099 29.506 29.700 -0.488 0.000 0.766 744 E HN 0.613 nan 8.360 nan 0.000 0.468 745 H N -1.281 117.608 119.070 -0.301 0.000 2.408 745 H HA 0.150 4.706 4.556 0.000 0.000 0.271 745 H C 2.227 177.421 175.328 -0.224 0.000 0.957 745 H CA 0.521 56.390 56.048 -0.300 0.000 1.170 745 H CB 0.340 29.811 29.762 -0.484 0.000 1.458 745 H HN -0.075 nan 8.280 nan 0.000 0.491 746 V N 1.768 121.646 119.914 -0.059 0.000 2.302 746 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 746 V C 2.709 178.746 176.094 -0.095 0.000 1.036 746 V CA 1.062 63.324 62.300 -0.063 0.000 1.020 746 V CB -0.622 31.223 31.823 0.036 0.000 0.657 746 V HN 0.151 nan 8.190 nan 0.000 0.453 747 L N 0.501 121.649 121.223 -0.125 0.000 2.051 747 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 747 L C -0.002 176.813 176.870 -0.092 0.000 1.076 747 L CA 2.165 56.934 54.840 -0.119 0.000 0.758 747 L CB -1.272 40.676 42.059 -0.185 0.000 0.890 747 L HN 0.326 nan 8.230 nan 0.000 0.433 748 P HA -0.210 nan 4.420 nan 0.000 0.216 748 P C 0.976 178.230 177.300 -0.075 0.000 1.150 748 P CA 1.258 64.305 63.100 -0.088 0.000 0.843 748 P CB -0.088 31.550 31.700 -0.104 0.000 0.787 749 Q N -0.827 118.920 119.800 -0.087 0.000 2.515 749 Q HA 0.033 4.373 4.340 -0.000 0.000 0.212 749 Q C 0.644 176.602 176.000 -0.069 0.000 0.970 749 Q CA 0.148 55.900 55.803 -0.086 0.000 0.941 749 Q CB -0.873 27.796 28.738 -0.115 0.000 0.998 749 Q HN 0.192 nan 8.270 nan 0.000 0.518 750 V N 1.447 121.328 119.914 -0.056 0.000 2.521 750 V HA 0.074 4.194 4.120 -0.000 0.000 0.286 750 V C -0.211 175.860 176.094 -0.039 0.000 1.034 750 V CA -0.261 62.014 62.300 -0.042 0.000 1.045 750 V CB 1.177 32.984 31.823 -0.026 0.000 0.974 750 V HN 0.056 nan 8.190 nan 0.000 0.480 751 V N 8.738 128.627 119.914 -0.042 0.000 2.406 751 V HA 0.733 4.853 4.120 -0.000 0.000 0.272 751 V C 0.783 176.849 176.094 -0.046 0.000 1.043 751 V CA -0.139 62.137 62.300 -0.040 0.000 0.915 751 V CB 0.952 32.752 31.823 -0.039 0.000 0.988 751 V HN 1.284 nan 8.190 nan 0.000 0.466 752 A N 4.527 127.322 122.820 -0.043 0.000 2.507 752 A HA 0.136 4.456 4.320 -0.000 0.000 0.235 752 A C 0.910 178.460 177.584 -0.057 0.000 1.070 752 A CA 0.323 52.325 52.037 -0.058 0.000 0.768 752 A CB 0.003 18.982 19.000 -0.035 0.000 1.011 752 A HN 0.964 nan 8.150 nan 0.000 0.502 753 D N 0.125 120.481 120.400 -0.073 0.000 2.349 753 D HA 0.320 4.960 4.640 -0.000 0.000 0.224 753 D C 0.968 177.244 176.300 -0.040 0.000 1.029 753 D CA 1.019 54.984 54.000 -0.057 0.000 0.879 753 D CB -0.065 40.695 40.800 -0.067 0.000 0.906 753 D HN 0.722 nan 8.370 nan 0.000 0.528 754 A N 0.000 122.799 122.820 -0.036 0.000 2.254 754 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 754 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 754 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 754 A HN 0.000 nan 8.150 nan 0.000 0.486