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 2c7e_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.031 123.851 122.820 -0.000 0.000 2.540 3 A HA 0.522 4.843 4.320 0.001 0.000 0.239 3 A C 0.197 177.785 177.584 0.005 0.000 1.061 3 A CA 0.397 52.438 52.037 0.007 0.000 0.758 3 A CB -0.129 18.878 19.000 0.012 0.000 0.991 3 A HN 0.585 nan 8.150 nan 0.000 0.502 4 K N 1.401 121.810 120.400 0.015 0.000 2.166 4 K HA 0.428 4.749 4.320 0.001 0.000 0.245 4 K C -1.058 175.572 176.600 0.050 0.000 0.967 4 K CA -0.689 55.607 56.287 0.015 0.000 0.863 4 K CB 1.525 34.032 32.500 0.012 0.000 1.107 4 K HN 0.747 nan 8.250 nan 0.000 0.436 5 D N 0.921 121.365 120.400 0.072 0.000 2.217 5 D HA 0.385 5.025 4.640 0.001 0.000 0.243 5 D C -1.284 175.174 176.300 0.263 0.000 1.054 5 D CA -0.592 53.519 54.000 0.184 0.000 0.838 5 D CB 1.429 42.388 40.800 0.265 0.000 1.162 5 D HN 0.038 nan 8.370 nan 0.000 0.472 6 V N 4.058 124.089 119.914 0.195 0.000 2.531 6 V HA 0.443 4.563 4.120 0.001 0.000 0.301 6 V C -0.039 176.007 176.094 -0.080 0.000 1.034 6 V CA -0.795 61.541 62.300 0.060 0.000 0.865 6 V CB 1.912 33.742 31.823 0.011 0.000 0.995 6 V HN 0.396 nan 8.190 nan 0.000 0.424 7 K N 3.680 123.910 120.400 -0.283 0.000 2.318 7 K HA 0.768 5.089 4.320 0.001 0.000 0.249 7 K C -1.597 174.713 176.600 -0.485 0.000 0.942 7 K CA -0.503 55.563 56.287 -0.368 0.000 0.808 7 K CB 2.526 34.623 32.500 -0.670 0.000 1.189 7 K HN 0.456 nan 8.250 nan 0.000 0.428 8 F N -0.025 119.872 119.950 -0.089 0.000 2.579 8 F HA 0.397 4.924 4.527 0.001 0.000 0.324 8 F C 1.316 177.084 175.800 -0.054 0.000 1.058 8 F CA -0.057 57.914 58.000 -0.049 0.000 0.944 8 F CB 1.678 40.659 39.000 -0.031 0.000 1.245 8 F HN 0.818 nan 8.300 nan 0.000 0.477 9 G N 1.946 110.843 108.800 0.161 0.000 2.660 9 G HA2 -0.437 3.523 3.960 0.001 0.000 0.338 9 G HA3 -0.437 3.523 3.960 0.001 0.000 0.338 9 G C 1.312 176.230 174.900 0.028 0.000 1.336 9 G CA 0.952 46.100 45.100 0.080 0.000 0.990 9 G HN 0.714 nan 8.290 nan 0.000 0.537 10 N N 0.818 119.530 118.700 0.020 0.000 2.069 10 N HA -0.170 4.571 4.740 0.001 0.000 0.196 10 N C 1.794 177.290 175.510 -0.024 0.000 1.024 10 N CA 2.137 55.187 53.050 -0.001 0.000 0.869 10 N CB -0.435 38.052 38.487 -0.000 0.000 1.035 10 N HN 0.549 nan 8.380 nan 0.000 0.434 11 D N 0.401 120.781 120.400 -0.033 0.000 2.123 11 D HA -0.099 4.541 4.640 0.001 0.000 0.196 11 D C 1.823 178.035 176.300 -0.147 0.000 0.992 11 D CA 1.247 55.195 54.000 -0.087 0.000 0.833 11 D CB -0.377 40.364 40.800 -0.098 0.000 0.954 11 D HN 0.326 nan 8.370 nan 0.000 0.455 12 A N 0.500 123.238 122.820 -0.137 0.000 1.897 12 A HA 0.060 4.381 4.320 0.001 0.000 0.215 12 A C 2.375 179.923 177.584 -0.060 0.000 1.181 12 A CA 1.907 53.855 52.037 -0.147 0.000 0.620 12 A CB -1.048 17.885 19.000 -0.112 0.000 0.821 12 A HN 0.292 nan 8.150 nan 0.000 0.443 13 G N 0.145 108.926 108.800 -0.033 0.000 2.446 13 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 13 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 13 G C 1.653 176.547 174.900 -0.009 0.000 1.168 13 G CA 2.205 47.299 45.100 -0.011 0.000 0.771 13 G HN 1.034 nan 8.290 nan 0.000 0.551 14 V N -1.260 118.642 119.914 -0.019 0.000 2.490 14 V HA -0.053 4.068 4.120 0.001 0.000 0.250 14 V C 2.516 178.607 176.094 -0.005 0.000 1.061 14 V CA 2.091 64.383 62.300 -0.013 0.000 1.064 14 V CB -0.471 31.341 31.823 -0.018 0.000 0.670 14 V HN 0.088 nan 8.190 nan 0.000 0.461 15 K N 0.155 120.547 120.400 -0.014 0.000 2.025 15 K HA 0.020 4.340 4.320 0.001 0.000 0.207 15 K C 2.249 178.878 176.600 0.048 0.000 1.049 15 K CA 2.058 58.360 56.287 0.024 0.000 0.933 15 K CB -0.610 31.910 32.500 0.034 0.000 0.714 15 K HN 0.516 nan 8.250 nan 0.000 0.438 16 M N 0.361 119.986 119.600 0.042 0.000 2.080 16 M HA -0.199 4.282 4.480 0.001 0.000 0.260 16 M C 2.231 178.548 176.300 0.028 0.000 1.068 16 M CA 1.230 56.556 55.300 0.042 0.000 1.109 16 M CB -0.371 32.249 32.600 0.034 0.000 1.342 16 M HN 0.027 nan 8.290 nan 0.000 0.405 17 L N 0.504 121.739 121.223 0.019 0.000 2.042 17 L HA -0.215 4.126 4.340 0.001 0.000 0.210 17 L C 2.470 179.349 176.870 0.014 0.000 1.076 17 L CA 1.936 56.785 54.840 0.014 0.000 0.749 17 L CB -0.696 41.369 42.059 0.009 0.000 0.893 17 L HN 0.163 nan 8.230 nan 0.000 0.432 18 R N -0.139 120.371 120.500 0.017 0.000 2.081 18 R HA -0.048 4.293 4.340 0.001 0.000 0.235 18 R C 2.167 178.478 176.300 0.018 0.000 1.131 18 R CA 1.719 57.828 56.100 0.016 0.000 0.960 18 R CB -1.351 28.960 30.300 0.019 0.000 0.856 18 R HN 0.432 nan 8.270 nan 0.000 0.436 19 G N -0.112 108.702 108.800 0.024 0.000 2.402 19 G HA2 -0.197 3.764 3.960 0.001 0.000 0.216 19 G HA3 -0.197 3.764 3.960 0.001 0.000 0.216 19 G C 1.435 176.343 174.900 0.014 0.000 1.162 19 G CA 0.975 46.087 45.100 0.021 0.000 0.777 19 G HN 0.362 nan 8.290 nan 0.000 0.539 20 V N -0.178 119.744 119.914 0.014 0.000 2.548 20 V HA -0.064 4.057 4.120 0.001 0.000 0.249 20 V C 2.187 178.286 176.094 0.008 0.000 1.055 20 V CA 2.088 64.394 62.300 0.010 0.000 1.065 20 V CB -0.495 31.335 31.823 0.012 0.000 0.681 20 V HN 0.173 nan 8.190 nan 0.000 0.462 21 N N 0.985 119.690 118.700 0.008 0.000 2.142 21 N HA -0.079 4.661 4.740 0.001 0.000 0.186 21 N C 1.827 177.339 175.510 0.004 0.000 1.023 21 N CA 1.807 54.861 53.050 0.006 0.000 0.852 21 N CB -0.572 37.919 38.487 0.006 0.000 0.998 21 N HN 0.493 nan 8.380 nan 0.000 0.424 22 V N 1.597 121.513 119.914 0.004 0.000 2.295 22 V HA -0.190 3.931 4.120 0.001 0.000 0.246 22 V C 2.412 178.506 176.094 -0.001 0.000 1.049 22 V CA 1.204 63.505 62.300 0.002 0.000 1.024 22 V CB -0.593 31.231 31.823 0.002 0.000 0.648 22 V HN 0.212 nan 8.190 nan 0.000 0.447 23 L N 0.682 121.904 121.223 -0.001 0.000 1.994 23 L HA -0.100 4.241 4.340 0.001 0.000 0.208 23 L C 2.461 179.329 176.870 -0.003 0.000 1.071 23 L CA 2.403 57.241 54.840 -0.004 0.000 0.745 23 L CB -0.745 41.311 42.059 -0.004 0.000 0.892 23 L HN 0.208 nan 8.230 nan 0.000 0.431 24 A N -0.687 122.133 122.820 -0.000 0.000 1.902 24 A HA -0.222 4.098 4.320 0.001 0.000 0.217 24 A C 1.963 179.547 177.584 -0.000 0.000 1.181 24 A CA 1.926 53.963 52.037 0.001 0.000 0.623 24 A CB -0.875 18.128 19.000 0.004 0.000 0.818 24 A HN 0.576 nan 8.150 nan 0.000 0.443 25 D N 0.047 120.447 120.400 -0.000 0.000 2.144 25 D HA -0.018 4.623 4.640 0.001 0.000 0.200 25 D C 2.203 178.501 176.300 -0.003 0.000 0.978 25 D CA 1.447 55.447 54.000 -0.001 0.000 0.833 25 D CB -0.404 40.396 40.800 -0.000 0.000 0.961 25 D HN 0.427 nan 8.370 nan 0.000 0.470 26 A N 0.436 123.253 122.820 -0.004 0.000 1.898 26 A HA -0.101 4.219 4.320 0.001 0.000 0.216 26 A C 2.484 180.063 177.584 -0.007 0.000 1.181 26 A CA 1.064 53.097 52.037 -0.006 0.000 0.620 26 A CB -0.590 18.405 19.000 -0.008 0.000 0.819 26 A HN 0.144 nan 8.150 nan 0.000 0.442 27 V N 1.293 121.203 119.914 -0.007 0.000 2.323 27 V HA -0.231 3.890 4.120 0.001 0.000 0.244 27 V C 2.515 178.605 176.094 -0.006 0.000 1.041 27 V CA 2.154 64.449 62.300 -0.008 0.000 1.025 27 V CB -0.685 31.132 31.823 -0.009 0.000 0.656 27 V HN 0.843 nan 8.190 nan 0.000 0.451 28 K N 1.538 121.936 120.400 -0.003 0.000 2.360 28 K HA -0.108 4.213 4.320 0.001 0.000 0.201 28 K C 1.816 178.415 176.600 -0.002 0.000 1.046 28 K CA 1.719 58.005 56.287 -0.002 0.000 0.945 28 K CB -0.637 31.863 32.500 0.001 0.000 0.750 28 K HN 0.497 nan 8.250 nan 0.000 0.464 29 V N -0.044 119.868 119.914 -0.003 0.000 2.970 29 V HA -0.112 4.008 4.120 0.001 0.000 0.260 29 V C 2.042 178.134 176.094 -0.003 0.000 1.100 29 V CA 1.671 63.969 62.300 -0.003 0.000 1.122 29 V CB -0.978 30.843 31.823 -0.003 0.000 0.721 29 V HN 0.532 nan 8.190 nan 0.000 0.483 30 T N -2.039 112.512 114.554 -0.005 0.000 3.144 30 T HA 0.285 4.636 4.350 0.001 0.000 0.249 30 T C 0.441 175.138 174.700 -0.006 0.000 1.089 30 T CA -0.139 61.957 62.100 -0.007 0.000 0.989 30 T CB -0.238 68.624 68.868 -0.010 0.000 0.992 30 T HN 0.382 nan 8.240 nan 0.000 0.540 31 L N 2.602 123.823 121.223 -0.003 0.000 2.360 31 L HA 0.579 4.920 4.340 0.001 0.000 0.276 31 L C 0.773 177.643 176.870 0.000 0.000 1.121 31 L CA 1.477 56.317 54.840 -0.001 0.000 0.845 31 L CB -0.400 41.660 42.059 0.002 0.000 1.143 31 L HN 0.652 nan 8.230 nan 0.000 0.452 32 G N 4.600 113.399 108.800 -0.002 0.000 2.796 32 G HA2 -0.180 3.781 3.960 0.001 0.000 0.571 32 G HA3 -0.180 3.781 3.960 0.001 0.000 0.571 32 G C -1.827 173.068 174.900 -0.009 0.000 1.370 32 G CA -0.291 44.807 45.100 -0.004 0.000 0.856 32 G HN 0.615 nan 8.290 nan 0.000 0.538 33 P HA -0.029 nan 4.420 nan 0.000 0.219 33 P C 0.901 178.191 177.300 -0.016 0.000 1.146 33 P CA 1.345 64.432 63.100 -0.021 0.000 0.808 33 P CB 0.095 31.773 31.700 -0.037 0.000 0.779 34 K N 0.242 120.636 120.400 -0.009 0.000 2.576 34 K HA 0.256 4.577 4.320 0.001 0.000 0.209 34 K C 1.022 177.621 176.600 -0.002 0.000 1.049 34 K CA -0.240 56.045 56.287 -0.004 0.000 1.140 34 K CB 0.167 32.669 32.500 0.004 0.000 0.871 34 K HN 0.058 nan 8.250 nan 0.000 0.479 35 G N 1.616 110.414 108.800 -0.004 0.000 2.484 35 G HA2 0.006 3.967 3.960 0.001 0.000 0.235 35 G HA3 0.006 3.967 3.960 0.001 0.000 0.235 35 G C 0.174 175.072 174.900 -0.004 0.000 1.282 35 G CA -0.280 44.818 45.100 -0.004 0.000 0.857 35 G HN 0.080 nan 8.290 nan 0.000 0.571 36 R N 0.992 121.489 120.500 -0.004 0.000 2.553 36 R HA 0.223 4.563 4.340 0.001 0.000 0.263 36 R C 0.111 176.407 176.300 -0.006 0.000 1.066 36 R CA -0.778 55.319 56.100 -0.004 0.000 1.135 36 R CB 0.559 30.858 30.300 -0.003 0.000 1.148 36 R HN 0.653 nan 8.270 nan 0.000 0.558 37 N N -0.847 117.849 118.700 -0.006 0.000 2.524 37 N HA 0.302 5.042 4.740 0.001 0.000 0.283 37 N C -0.944 174.562 175.510 -0.007 0.000 1.142 37 N CA -0.361 52.685 53.050 -0.007 0.000 0.984 37 N CB 1.208 39.692 38.487 -0.006 0.000 1.155 37 N HN 0.083 nan 8.380 nan 0.000 0.467 38 V N 1.868 121.777 119.914 -0.008 0.000 2.588 38 V HA 0.327 4.448 4.120 0.001 0.000 0.304 38 V C -0.457 175.632 176.094 -0.010 0.000 1.042 38 V CA -0.811 61.484 62.300 -0.009 0.000 0.877 38 V CB 1.841 33.657 31.823 -0.011 0.000 0.996 38 V HN 0.323 nan 8.190 nan 0.000 0.425 39 V N 6.424 126.332 119.914 -0.010 0.000 2.383 39 V HA 0.459 4.580 4.120 0.001 0.000 0.275 39 V C -0.182 175.904 176.094 -0.013 0.000 1.036 39 V CA -0.389 61.905 62.300 -0.010 0.000 0.889 39 V CB 1.357 33.175 31.823 -0.009 0.000 0.985 39 V HN 0.620 nan 8.190 nan 0.000 0.459 40 L N 3.867 125.081 121.223 -0.014 0.000 2.305 40 L HA 0.518 4.859 4.340 0.001 0.000 0.284 40 L C -0.051 176.806 176.870 -0.021 0.000 1.013 40 L CA -0.630 54.199 54.840 -0.018 0.000 0.819 40 L CB 1.521 43.569 42.059 -0.019 0.000 1.227 40 L HN 0.491 nan 8.230 nan 0.000 0.417 41 D N 3.293 123.676 120.400 -0.027 0.000 2.399 41 D HA 0.188 4.829 4.640 0.001 0.000 0.241 41 D C -0.406 175.867 176.300 -0.046 0.000 1.133 41 D CA 0.386 54.365 54.000 -0.035 0.000 0.890 41 D CB 0.981 41.756 40.800 -0.041 0.000 1.201 41 D HN 0.359 nan 8.370 nan 0.000 0.432 42 K N 0.232 120.601 120.400 -0.052 0.000 2.328 42 K HA 0.219 4.540 4.320 0.001 0.000 0.246 42 K C 1.065 177.580 176.600 -0.140 0.000 0.955 42 K CA -0.580 55.666 56.287 -0.068 0.000 0.817 42 K CB 1.672 34.158 32.500 -0.022 0.000 1.208 42 K HN 0.387 nan 8.250 nan 0.000 0.432 43 S N 0.885 116.430 115.700 -0.257 0.000 2.423 43 S HA 0.003 4.474 4.470 0.001 0.000 0.231 43 S C 0.316 174.473 174.600 -0.738 0.000 1.014 43 S CA 0.684 58.549 58.200 -0.557 0.000 0.965 43 S CB -0.147 62.574 63.200 -0.798 0.000 0.785 43 S HN 0.371 nan 8.310 nan 0.000 0.495 44 F N 1.106 121.053 119.950 -0.006 0.000 2.556 44 F HA 0.699 5.227 4.527 0.001 0.000 0.314 44 F C 0.933 176.730 175.800 -0.005 0.000 1.106 44 F CA -0.336 57.660 58.000 -0.005 0.000 0.911 44 F CB 1.499 40.496 39.000 -0.005 0.000 1.190 44 F HN 0.398 nan 8.300 nan 0.000 0.448 45 G N 1.029 109.945 108.800 0.194 0.000 2.632 45 G HA2 0.267 4.228 3.960 0.001 0.000 0.224 45 G HA3 0.267 4.228 3.960 0.001 0.000 0.224 45 G C -0.632 174.302 174.900 0.058 0.000 1.341 45 G CA -0.536 44.626 45.100 0.102 0.000 0.880 45 G HN 1.244 nan 8.290 nan 0.000 0.566 46 A N 0.774 123.617 122.820 0.039 0.000 2.351 46 A HA 0.749 5.070 4.320 0.001 0.000 0.257 46 A C -1.329 176.264 177.584 0.014 0.000 1.087 46 A CA -0.119 51.931 52.037 0.022 0.000 0.798 46 A CB -0.128 18.881 19.000 0.017 0.000 1.033 46 A HN 0.731 nan 8.150 nan 0.000 0.488 47 P HA 0.238 nan 4.420 nan 0.000 0.271 47 P C -0.207 177.092 177.300 -0.001 0.000 1.233 47 P CA 0.032 63.130 63.100 -0.003 0.000 0.789 47 P CB 0.378 32.074 31.700 -0.007 0.000 0.951 48 T N 1.701 116.252 114.554 -0.005 0.000 2.845 48 T HA 0.471 4.822 4.350 0.001 0.000 0.288 48 T C 0.245 174.941 174.700 -0.007 0.000 0.980 48 T CA -0.122 61.975 62.100 -0.005 0.000 1.071 48 T CB 0.013 68.877 68.868 -0.007 0.000 0.941 48 T HN 0.174 nan 8.240 nan 0.000 0.487 49 I N 2.577 123.144 120.570 -0.006 0.000 2.382 49 I HA 0.451 4.622 4.170 0.001 0.000 0.286 49 I C 0.241 176.354 176.117 -0.008 0.000 1.002 49 I CA -0.496 60.800 61.300 -0.006 0.000 1.135 49 I CB 1.865 39.862 38.000 -0.005 0.000 1.288 49 I HN 0.525 nan 8.210 nan 0.000 0.448 50 T N 4.523 119.072 114.554 -0.010 0.000 2.883 50 T HA 0.431 4.782 4.350 0.001 0.000 0.301 50 T C -0.107 174.586 174.700 -0.012 0.000 1.158 50 T CA -0.539 61.555 62.100 -0.011 0.000 1.007 50 T CB 1.789 70.648 68.868 -0.014 0.000 1.186 50 T HN 0.651 nan 8.240 nan 0.000 0.499 51 K N 1.525 121.917 120.400 -0.013 0.000 2.506 51 K HA 0.213 4.534 4.320 0.001 0.000 0.204 51 K C -0.796 175.795 176.600 -0.016 0.000 1.045 51 K CA -0.259 56.021 56.287 -0.012 0.000 1.074 51 K CB 0.579 33.072 32.500 -0.011 0.000 0.842 51 K HN 0.481 nan 8.250 nan 0.000 0.514 52 D N -0.119 120.270 120.400 -0.019 0.000 2.317 52 D HA 0.151 4.792 4.640 0.001 0.000 0.234 52 D C 1.222 177.508 176.300 -0.025 0.000 1.112 52 D CA -0.180 53.805 54.000 -0.024 0.000 0.840 52 D CB 1.379 42.163 40.800 -0.028 0.000 1.078 52 D HN 0.147 nan 8.370 nan 0.000 0.486 53 G N 2.412 111.196 108.800 -0.026 0.000 2.446 53 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 53 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 53 G C 1.525 176.408 174.900 -0.029 0.000 1.168 53 G CA 0.822 45.908 45.100 -0.024 0.000 0.771 53 G HN 0.486 nan 8.290 nan 0.000 0.551 54 V N 1.132 121.023 119.914 -0.038 0.000 2.332 54 V HA -0.215 3.905 4.120 0.001 0.000 0.248 54 V C 3.125 179.198 176.094 -0.036 0.000 1.055 54 V CA 2.286 64.561 62.300 -0.042 0.000 1.038 54 V CB -0.702 31.088 31.823 -0.055 0.000 0.651 54 V HN 0.374 nan 8.190 nan 0.000 0.450 55 S N -0.255 115.425 115.700 -0.033 0.000 2.383 55 S HA -0.171 4.300 4.470 0.001 0.000 0.229 55 S C 1.958 176.543 174.600 -0.024 0.000 1.030 55 S CA 1.571 59.754 58.200 -0.028 0.000 1.002 55 S CB -0.223 62.962 63.200 -0.024 0.000 0.829 55 S HN 0.416 nan 8.310 nan 0.000 0.467 56 V N 1.770 121.670 119.914 -0.023 0.000 2.323 56 V HA -0.124 3.996 4.120 0.001 0.000 0.244 56 V C 2.655 178.737 176.094 -0.021 0.000 1.041 56 V CA 1.524 63.812 62.300 -0.020 0.000 1.025 56 V CB -1.255 30.557 31.823 -0.018 0.000 0.656 56 V HN 0.525 nan 8.190 nan 0.000 0.451 57 A N 0.163 122.969 122.820 -0.023 0.000 1.917 57 A HA -0.271 4.050 4.320 0.001 0.000 0.219 57 A C 2.352 179.920 177.584 -0.025 0.000 1.182 57 A CA 2.007 54.029 52.037 -0.024 0.000 0.633 57 A CB -0.591 18.393 19.000 -0.027 0.000 0.819 57 A HN 0.494 nan 8.150 nan 0.000 0.448 58 R N -0.533 119.951 120.500 -0.028 0.000 2.139 58 R HA -0.127 4.213 4.340 0.001 0.000 0.243 58 R C 1.481 177.765 176.300 -0.026 0.000 1.145 58 R CA 1.358 57.441 56.100 -0.028 0.000 0.976 58 R CB -0.221 30.062 30.300 -0.028 0.000 0.866 58 R HN 0.529 nan 8.270 nan 0.000 0.449 59 E N 0.227 120.412 120.200 -0.025 0.000 2.435 59 E HA 0.022 4.373 4.350 0.001 0.000 0.195 59 E C 0.438 177.023 176.600 -0.024 0.000 1.029 59 E CA 0.237 56.622 56.400 -0.025 0.000 0.865 59 E CB 0.237 29.922 29.700 -0.024 0.000 0.833 59 E HN 0.168 nan 8.360 nan 0.000 0.510 60 I N 2.205 122.762 120.570 -0.022 0.000 2.436 60 I HA 0.136 4.307 4.170 0.001 0.000 0.289 60 I C 0.362 176.466 176.117 -0.021 0.000 1.083 60 I CA 0.228 61.516 61.300 -0.020 0.000 1.372 60 I CB -0.073 37.917 38.000 -0.016 0.000 1.408 60 I HN -0.052 nan 8.210 nan 0.000 0.516 61 E N 7.057 127.244 120.200 -0.021 0.000 2.304 61 E HA 0.562 4.913 4.350 0.001 0.000 0.277 61 E C -1.695 174.893 176.600 -0.020 0.000 0.898 61 E CA -0.607 55.779 56.400 -0.023 0.000 0.764 61 E CB 2.146 31.829 29.700 -0.027 0.000 1.216 61 E HN 0.445 nan 8.360 nan 0.000 0.419 62 L N 3.101 124.313 121.223 -0.019 0.000 2.322 62 L HA 0.410 4.751 4.340 0.001 0.000 0.269 62 L C 1.406 178.266 176.870 -0.016 0.000 1.012 62 L CA -0.588 54.245 54.840 -0.013 0.000 0.815 62 L CB 1.608 43.665 42.059 -0.003 0.000 1.295 62 L HN 0.750 nan 8.230 nan 0.000 0.438 63 E N 0.585 120.780 120.200 -0.010 0.000 2.028 63 E HA -0.166 4.185 4.350 0.001 0.000 0.190 63 E C 0.500 177.095 176.600 -0.008 0.000 0.984 63 E CA 0.518 56.912 56.400 -0.011 0.000 0.800 63 E CB 0.232 29.929 29.700 -0.005 0.000 0.758 63 E HN 0.670 nan 8.360 nan 0.000 0.448 64 D N 0.774 121.181 120.400 0.012 0.000 2.434 64 D HA -0.084 4.557 4.640 0.001 0.000 0.252 64 D C 0.693 176.997 176.300 0.006 0.000 1.185 64 D CA 0.106 54.128 54.000 0.037 0.000 0.886 64 D CB 0.875 41.719 40.800 0.073 0.000 1.148 64 D HN 0.063 nan 8.370 nan 0.000 0.483 65 K N 3.648 124.014 120.400 -0.057 0.000 2.113 65 K HA -0.180 4.140 4.320 0.001 0.000 0.208 65 K C 1.909 178.353 176.600 -0.259 0.000 1.047 65 K CA 1.230 57.392 56.287 -0.207 0.000 0.928 65 K CB -0.322 31.957 32.500 -0.367 0.000 0.716 65 K HN 0.501 nan 8.250 nan 0.000 0.446 66 F N 1.675 121.612 119.950 -0.022 0.000 2.163 66 F HA -0.050 4.477 4.527 0.000 0.000 0.297 66 F C 2.399 178.187 175.800 -0.021 0.000 1.094 66 F CA 1.010 58.994 58.000 -0.025 0.000 1.290 66 F CB -0.401 38.583 39.000 -0.026 0.000 1.017 66 F HN 0.091 nan 8.300 nan 0.000 0.483 67 E N -0.008 120.286 120.200 0.158 0.000 2.110 67 E HA -0.257 4.094 4.350 0.001 0.000 0.193 67 E C 1.791 178.414 176.600 0.037 0.000 0.988 67 E CA 1.327 57.776 56.400 0.082 0.000 0.804 67 E CB -0.376 29.360 29.700 0.060 0.000 0.745 67 E HN 0.308 nan 8.360 nan 0.000 0.458 68 N N 0.683 119.389 118.700 0.010 0.000 2.166 68 N HA -0.150 4.590 4.740 0.001 0.000 0.186 68 N C 1.722 177.220 175.510 -0.019 0.000 1.019 68 N CA 1.215 54.255 53.050 -0.016 0.000 0.856 68 N CB 0.012 38.474 38.487 -0.041 0.000 0.993 68 N HN 0.085 nan 8.380 nan 0.000 0.426 69 M N -0.843 118.743 119.600 -0.023 0.000 2.117 69 M HA -0.035 4.445 4.480 0.001 0.000 0.262 69 M C 2.171 178.475 176.300 0.007 0.000 1.065 69 M CA 1.686 56.975 55.300 -0.019 0.000 1.114 69 M CB -0.557 32.031 32.600 -0.021 0.000 1.361 69 M HN 0.318 nan 8.290 nan 0.000 0.408 70 G N -0.209 108.608 108.800 0.028 0.000 2.422 70 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 70 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 70 G C 1.606 176.514 174.900 0.013 0.000 1.146 70 G CA 0.976 46.092 45.100 0.026 0.000 0.769 70 G HN 0.542 nan 8.290 nan 0.000 0.547 71 A N 0.080 122.904 122.820 0.007 0.000 1.898 71 A HA -0.030 4.291 4.320 0.001 0.000 0.216 71 A C 2.396 179.976 177.584 -0.007 0.000 1.181 71 A CA 1.814 53.851 52.037 -0.000 0.000 0.620 71 A CB -0.306 18.692 19.000 -0.003 0.000 0.819 71 A HN 0.294 nan 8.150 nan 0.000 0.442 72 Q N -0.554 119.239 119.800 -0.011 0.000 2.224 72 Q HA -0.050 4.291 4.340 0.001 0.000 0.203 72 Q C 2.069 178.061 176.000 -0.013 0.000 0.970 72 Q CA 1.299 57.092 55.803 -0.017 0.000 0.865 72 Q CB -0.517 28.206 28.738 -0.024 0.000 0.922 72 Q HN 0.778 nan 8.270 nan 0.000 0.445 73 M N -0.588 119.008 119.600 -0.006 0.000 2.098 73 M HA -0.101 4.379 4.480 0.001 0.000 0.262 73 M C 2.232 178.534 176.300 0.002 0.000 1.072 73 M CA 1.074 56.373 55.300 -0.000 0.000 1.133 73 M CB -0.411 32.194 32.600 0.007 0.000 1.344 73 M HN 0.051 nan 8.290 nan 0.000 0.414 74 V N 0.360 120.276 119.914 0.004 0.000 2.759 74 V HA -0.214 3.907 4.120 0.001 0.000 0.256 74 V C 2.043 178.135 176.094 -0.003 0.000 1.080 74 V CA 1.779 64.084 62.300 0.007 0.000 1.101 74 V CB -0.477 31.352 31.823 0.010 0.000 0.698 74 V HN 0.407 nan 8.190 nan 0.000 0.477 75 K N -0.299 120.094 120.400 -0.011 0.000 2.211 75 K HA -0.152 4.169 4.320 0.001 0.000 0.204 75 K C 2.040 178.619 176.600 -0.034 0.000 1.047 75 K CA 1.393 57.667 56.287 -0.022 0.000 0.935 75 K CB -0.032 32.454 32.500 -0.024 0.000 0.728 75 K HN 0.452 nan 8.250 nan 0.000 0.452 76 E N 0.057 120.239 120.200 -0.030 0.000 2.204 76 E HA -0.134 4.217 4.350 0.001 0.000 0.194 76 E C 1.885 178.444 176.600 -0.069 0.000 0.989 76 E CA 0.685 57.057 56.400 -0.046 0.000 0.824 76 E CB 0.011 29.697 29.700 -0.025 0.000 0.756 76 E HN 0.111 nan 8.360 nan 0.000 0.477 77 V N 1.476 121.371 119.914 -0.031 0.000 2.237 77 V HA -0.272 3.849 4.120 0.001 0.000 0.245 77 V C 2.470 178.522 176.094 -0.070 0.000 1.046 77 V CA 1.940 64.231 62.300 -0.014 0.000 1.007 77 V CB -0.913 30.931 31.823 0.035 0.000 0.638 77 V HN 0.255 nan 8.190 nan 0.000 0.445 78 A N 0.862 123.651 122.820 -0.052 0.000 1.865 78 A HA -0.255 4.066 4.320 0.001 0.000 0.217 78 A C 2.563 180.083 177.584 -0.106 0.000 1.191 78 A CA 2.769 54.770 52.037 -0.061 0.000 0.623 78 A CB -1.011 17.963 19.000 -0.043 0.000 0.826 78 A HN 0.706 nan 8.150 nan 0.000 0.444 79 S N 0.090 115.723 115.700 -0.113 0.000 2.370 79 S HA -0.224 4.247 4.470 0.001 0.000 0.226 79 S C 1.849 176.327 174.600 -0.203 0.000 1.033 79 S CA 1.644 59.768 58.200 -0.127 0.000 1.011 79 S CB -0.404 62.736 63.200 -0.100 0.000 0.852 79 S HN 0.631 nan 8.310 nan 0.000 0.457 80 K N 1.621 121.818 120.400 -0.338 0.000 2.062 80 K HA 0.186 4.506 4.320 0.001 0.000 0.205 80 K C 2.608 178.783 176.600 -0.708 0.000 1.051 80 K CA 1.003 56.907 56.287 -0.639 0.000 0.941 80 K CB -0.512 31.332 32.500 -1.093 0.000 0.719 80 K HN 0.469 nan 8.250 nan 0.000 0.440 81 A N 1.859 124.375 122.820 -0.507 0.000 1.933 81 A HA -0.227 4.094 4.320 0.001 0.000 0.218 81 A C 1.957 179.503 177.584 -0.062 0.000 1.175 81 A CA 1.866 53.824 52.037 -0.132 0.000 0.628 81 A CB -0.614 18.398 19.000 0.020 0.000 0.814 81 A HN 0.258 nan 8.150 nan 0.000 0.444 82 N N 0.422 119.063 118.700 -0.098 0.000 2.058 82 N HA -0.147 4.593 4.740 0.001 0.000 0.191 82 N C 1.186 176.681 175.510 -0.026 0.000 1.037 82 N CA 1.837 54.849 53.050 -0.063 0.000 0.848 82 N CB -0.356 38.080 38.487 -0.086 0.000 1.021 82 N HN 0.384 nan 8.380 nan 0.000 0.422 83 D N -0.179 120.184 120.400 -0.063 0.000 2.149 83 D HA -0.098 4.543 4.640 0.001 0.000 0.198 83 D C 1.617 177.928 176.300 0.019 0.000 0.990 83 D CA 1.372 55.357 54.000 -0.025 0.000 0.839 83 D CB -0.409 40.355 40.800 -0.061 0.000 0.948 83 D HN 0.437 nan 8.370 nan 0.000 0.460 84 A N 0.081 122.912 122.820 0.018 0.000 1.935 84 A HA 0.292 4.613 4.320 0.001 0.000 0.214 84 A C 2.014 179.661 177.584 0.106 0.000 1.178 84 A CA 1.663 53.757 52.037 0.094 0.000 0.640 84 A CB 0.080 19.212 19.000 0.219 0.000 0.825 84 A HN 0.232 nan 8.150 nan 0.000 0.447 85 A N -2.874 120.017 122.820 0.118 0.000 2.427 85 A HA 0.467 4.787 4.320 0.001 0.000 0.225 85 A C 1.622 179.366 177.584 0.267 0.000 1.257 85 A CA 1.064 53.183 52.037 0.137 0.000 0.985 85 A CB -0.292 18.779 19.000 0.118 0.000 1.136 85 A HN 1.827 nan 8.150 nan 0.000 0.538 86 G N -0.343 108.619 108.800 0.270 0.000 2.179 86 G HA2 -0.155 3.806 3.960 0.001 0.000 0.257 86 G HA3 -0.155 3.806 3.960 0.001 0.000 0.257 86 G C -0.204 174.647 174.900 -0.080 0.000 1.010 86 G CA 0.891 46.159 45.100 0.281 0.000 0.736 86 G HN 0.899 nan 8.290 nan 0.000 0.513 87 D N -2.923 117.494 120.400 0.028 0.000 2.742 87 D HA 0.559 5.200 4.640 0.001 0.000 0.262 87 D C 0.795 177.108 176.300 0.021 0.000 1.240 87 D CA 1.305 55.307 54.000 0.002 0.000 0.752 87 D CB 0.192 41.036 40.800 0.072 0.000 1.290 87 D HN 1.410 nan 8.370 nan 0.000 0.420 88 G N 0.407 109.213 108.800 0.010 0.000 2.136 88 G HA2 -0.297 3.663 3.960 0.001 0.000 0.242 88 G HA3 -0.297 3.663 3.960 0.001 0.000 0.242 88 G C 0.997 175.906 174.900 0.015 0.000 0.989 88 G CA 1.711 46.822 45.100 0.020 0.000 0.682 88 G HN 1.003 nan 8.290 nan 0.000 0.522 89 T N -3.216 111.334 114.554 -0.007 0.000 2.821 89 T HA -0.071 4.280 4.350 0.001 0.000 0.267 89 T C 2.233 176.929 174.700 -0.006 0.000 1.046 89 T CA 2.477 64.570 62.100 -0.013 0.000 1.139 89 T CB -0.454 68.392 68.868 -0.037 0.000 0.871 89 T HN 0.304 nan 8.240 nan 0.000 0.454 90 T N 1.846 116.396 114.554 -0.007 0.000 2.777 90 T HA -0.057 4.294 4.350 0.001 0.000 0.266 90 T C 2.236 176.939 174.700 0.006 0.000 1.040 90 T CA 1.734 63.832 62.100 -0.003 0.000 1.141 90 T CB -0.906 67.958 68.868 -0.006 0.000 0.868 90 T HN 0.483 nan 8.240 nan 0.000 0.444 91 T N 2.134 116.694 114.554 0.011 0.000 2.684 91 T HA -0.070 4.281 4.350 0.001 0.000 0.267 91 T C 2.397 177.112 174.700 0.024 0.000 1.036 91 T CA 1.256 63.367 62.100 0.017 0.000 1.148 91 T CB -0.566 68.315 68.868 0.021 0.000 0.863 91 T HN 0.433 nan 8.240 nan 0.000 0.436 92 A N 1.121 123.960 122.820 0.032 0.000 1.933 92 A HA -0.125 4.195 4.320 0.001 0.000 0.218 92 A C 2.538 180.143 177.584 0.035 0.000 1.175 92 A CA 2.048 54.113 52.037 0.046 0.000 0.628 92 A CB -1.139 17.900 19.000 0.065 0.000 0.814 92 A HN 0.485 nan 8.150 nan 0.000 0.444 93 T N -0.484 114.083 114.554 0.020 0.000 2.821 93 T HA -0.092 4.258 4.350 0.001 0.000 0.267 93 T C 1.943 176.652 174.700 0.014 0.000 1.046 93 T CA 1.640 63.749 62.100 0.014 0.000 1.139 93 T CB -0.468 68.403 68.868 0.004 0.000 0.871 93 T HN 0.617 nan 8.240 nan 0.000 0.454 94 V N 0.252 120.174 119.914 0.014 0.000 2.719 94 V HA 0.090 4.211 4.120 0.001 0.000 0.252 94 V C 2.071 178.174 176.094 0.015 0.000 1.065 94 V CA 1.146 63.454 62.300 0.012 0.000 1.086 94 V CB -0.819 31.009 31.823 0.010 0.000 0.700 94 V HN 0.440 nan 8.190 nan 0.000 0.467 95 L N 0.674 121.909 121.223 0.020 0.000 2.027 95 L HA 0.022 4.362 4.340 0.001 0.000 0.206 95 L C 3.057 179.941 176.870 0.022 0.000 1.074 95 L CA 1.661 56.513 54.840 0.021 0.000 0.745 95 L CB -0.899 41.175 42.059 0.026 0.000 0.898 95 L HN 0.434 nan 8.230 nan 0.000 0.433 96 A N -0.431 122.405 122.820 0.026 0.000 1.883 96 A HA -0.309 4.012 4.320 0.001 0.000 0.217 96 A C 2.258 179.854 177.584 0.019 0.000 1.186 96 A CA 2.032 54.085 52.037 0.026 0.000 0.624 96 A CB -0.701 18.318 19.000 0.031 0.000 0.822 96 A HN 0.505 nan 8.150 nan 0.000 0.444 97 Q N -0.525 119.284 119.800 0.016 0.000 2.061 97 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 97 Q C 2.203 178.210 176.000 0.012 0.000 0.984 97 Q CA 1.865 57.675 55.803 0.012 0.000 0.846 97 Q CB -0.381 28.363 28.738 0.010 0.000 0.902 97 Q HN 0.595 nan 8.270 nan 0.000 0.421 98 A N 0.817 123.644 122.820 0.012 0.000 1.883 98 A HA -0.186 4.135 4.320 0.001 0.000 0.217 98 A C 2.006 179.596 177.584 0.011 0.000 1.186 98 A CA 1.587 53.631 52.037 0.010 0.000 0.624 98 A CB -0.708 18.299 19.000 0.010 0.000 0.822 98 A HN 0.501 nan 8.150 nan 0.000 0.444 99 I N -0.561 120.016 120.570 0.013 0.000 2.252 99 I HA -0.229 3.942 4.170 0.001 0.000 0.245 99 I C 2.300 178.425 176.117 0.012 0.000 1.102 99 I CA 1.219 62.527 61.300 0.012 0.000 1.385 99 I CB -0.325 37.683 38.000 0.014 0.000 1.064 99 I HN 0.290 nan 8.210 nan 0.000 0.414 100 I N 0.288 120.866 120.570 0.014 0.000 2.179 100 I HA -0.273 3.898 4.170 0.001 0.000 0.242 100 I C 2.575 178.698 176.117 0.011 0.000 1.088 100 I CA 1.519 62.827 61.300 0.013 0.000 1.357 100 I CB -0.565 37.444 38.000 0.015 0.000 1.051 100 I HN 0.224 nan 8.210 nan 0.000 0.409 101 T N 0.231 114.791 114.554 0.010 0.000 2.652 101 T HA -0.173 4.177 4.350 0.001 0.000 0.267 101 T C 1.831 176.535 174.700 0.007 0.000 1.039 101 T CA 1.367 63.471 62.100 0.008 0.000 1.153 101 T CB -0.181 68.691 68.868 0.007 0.000 0.863 101 T HN 0.286 nan 8.240 nan 0.000 0.428 102 E N 0.567 120.771 120.200 0.007 0.000 2.152 102 E HA 0.006 4.357 4.350 0.001 0.000 0.192 102 E C 2.532 179.136 176.600 0.007 0.000 0.983 102 E CA 0.919 57.323 56.400 0.006 0.000 0.818 102 E CB -0.773 28.931 29.700 0.006 0.000 0.758 102 E HN 0.567 nan 8.360 nan 0.000 0.467 103 G N 1.361 110.166 108.800 0.008 0.000 2.421 103 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 103 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 103 G C 1.712 176.617 174.900 0.008 0.000 1.171 103 G CA 0.400 45.505 45.100 0.008 0.000 0.775 103 G HN 0.179 nan 8.290 nan 0.000 0.543 104 L N -0.244 120.985 121.223 0.008 0.000 2.201 104 L HA 0.007 4.348 4.340 0.001 0.000 0.212 104 L C 2.901 179.775 176.870 0.006 0.000 1.105 104 L CA 0.874 55.719 54.840 0.008 0.000 0.775 104 L CB -0.249 41.815 42.059 0.008 0.000 0.913 104 L HN 0.194 nan 8.230 nan 0.000 0.440 105 K N 0.090 120.493 120.400 0.005 0.000 2.057 105 K HA -0.117 4.203 4.320 0.001 0.000 0.206 105 K C 2.229 178.832 176.600 0.004 0.000 1.050 105 K CA 1.253 57.543 56.287 0.004 0.000 0.935 105 K CB -0.104 32.398 32.500 0.004 0.000 0.715 105 K HN 0.265 nan 8.250 nan 0.000 0.439 106 A N 0.733 123.556 122.820 0.005 0.000 1.930 106 A HA -0.106 4.214 4.320 0.001 0.000 0.217 106 A C 2.248 179.835 177.584 0.005 0.000 1.175 106 A CA 1.248 53.288 52.037 0.005 0.000 0.627 106 A CB -0.481 18.522 19.000 0.005 0.000 0.815 106 A HN 0.080 nan 8.150 nan 0.000 0.443 107 V N -0.185 119.733 119.914 0.007 0.000 2.358 107 V HA -0.225 3.896 4.120 0.001 0.000 0.246 107 V C 3.030 179.128 176.094 0.007 0.000 1.047 107 V CA 1.848 64.153 62.300 0.008 0.000 1.035 107 V CB -1.140 30.689 31.823 0.010 0.000 0.658 107 V HN 0.598 nan 8.190 nan 0.000 0.452 108 A N -0.037 122.787 122.820 0.005 0.000 2.019 108 A HA -0.050 4.270 4.320 0.001 0.000 0.219 108 A C 2.275 179.861 177.584 0.003 0.000 1.164 108 A CA 1.753 53.792 52.037 0.004 0.000 0.644 108 A CB -0.573 18.428 19.000 0.002 0.000 0.805 108 A HN 0.583 nan 8.150 nan 0.000 0.449 109 A N -1.955 120.867 122.820 0.003 0.000 2.209 109 A HA 0.383 4.704 4.320 0.001 0.000 0.212 109 A C 1.796 179.381 177.584 0.002 0.000 1.158 109 A CA 1.366 53.404 52.037 0.002 0.000 0.742 109 A CB -0.759 18.243 19.000 0.002 0.000 0.790 109 A HN 1.840 nan 8.150 nan 0.000 0.472 110 G N -2.203 106.599 108.800 0.003 0.000 2.163 110 G HA2 -0.199 3.761 3.960 0.001 0.000 0.213 110 G HA3 -0.199 3.761 3.960 0.001 0.000 0.213 110 G C 0.161 175.064 174.900 0.004 0.000 0.991 110 G CA 0.111 45.214 45.100 0.003 0.000 0.653 110 G HN 0.345 nan 8.290 nan 0.000 0.518 111 M N 0.870 120.473 119.600 0.005 0.000 2.242 111 M HA 0.234 4.715 4.480 0.001 0.000 0.344 111 M C 0.699 177.003 176.300 0.006 0.000 1.140 111 M CA -0.474 54.829 55.300 0.005 0.000 1.160 111 M CB 0.437 33.040 32.600 0.005 0.000 1.491 111 M HN 0.153 nan 8.290 nan 0.000 0.459 112 N N 3.088 121.792 118.700 0.006 0.000 2.427 112 N HA 0.061 4.802 4.740 0.001 0.000 0.269 112 N C -2.070 173.446 175.510 0.009 0.000 1.235 112 N CA -1.159 51.895 53.050 0.008 0.000 0.934 112 N CB 0.991 39.482 38.487 0.007 0.000 1.121 112 N HN 0.299 nan 8.380 nan 0.000 0.480 113 P HA -0.155 nan 4.420 nan 0.000 0.216 113 P C 1.660 178.967 177.300 0.011 0.000 1.153 113 P CA 1.426 64.533 63.100 0.012 0.000 0.858 113 P CB 0.209 31.918 31.700 0.015 0.000 0.789 114 M N -0.974 118.632 119.600 0.011 0.000 2.159 114 M HA -0.128 4.353 4.480 0.001 0.000 0.263 114 M C 1.503 177.807 176.300 0.007 0.000 1.063 114 M CA 1.643 56.949 55.300 0.010 0.000 1.110 114 M CB -1.703 30.903 32.600 0.010 0.000 1.374 114 M HN -0.006 nan 8.290 nan 0.000 0.411 115 D N 0.503 120.907 120.400 0.007 0.000 2.123 115 D HA -0.027 4.614 4.640 0.001 0.000 0.200 115 D C 2.348 178.651 176.300 0.005 0.000 0.976 115 D CA 0.893 54.896 54.000 0.005 0.000 0.831 115 D CB -0.120 40.682 40.800 0.005 0.000 0.974 115 D HN 0.313 nan 8.370 nan 0.000 0.469 116 L N 0.817 122.043 121.223 0.006 0.000 2.012 116 L HA -0.206 4.135 4.340 0.001 0.000 0.210 116 L C 2.540 179.414 176.870 0.006 0.000 1.073 116 L CA 1.308 56.152 54.840 0.006 0.000 0.748 116 L CB -0.353 41.710 42.059 0.007 0.000 0.891 116 L HN -0.007 nan 8.230 nan 0.000 0.431 117 K N 0.294 120.697 120.400 0.007 0.000 2.097 117 K HA -0.232 4.088 4.320 0.001 0.000 0.206 117 K C 2.314 178.917 176.600 0.003 0.000 1.049 117 K CA 1.327 57.618 56.287 0.006 0.000 0.933 117 K CB -0.031 32.473 32.500 0.008 0.000 0.717 117 K HN 0.077 nan 8.250 nan 0.000 0.442 118 R N -0.202 120.300 120.500 0.003 0.000 2.081 118 R HA -0.081 4.260 4.340 0.001 0.000 0.235 118 R C 2.291 178.591 176.300 0.000 0.000 1.131 118 R CA 1.729 57.830 56.100 0.001 0.000 0.960 118 R CB -0.570 29.731 30.300 0.002 0.000 0.856 118 R HN 0.393 nan 8.270 nan 0.000 0.436 119 G N 0.912 109.713 108.800 0.001 0.000 2.421 119 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 119 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 119 G C 1.452 176.352 174.900 0.000 0.000 1.171 119 G CA 0.963 46.064 45.100 0.001 0.000 0.775 119 G HN 0.273 nan 8.290 nan 0.000 0.543 120 I N 0.997 121.568 120.570 0.001 0.000 2.163 120 I HA -0.173 3.998 4.170 0.001 0.000 0.243 120 I C 2.355 178.470 176.117 -0.003 0.000 1.085 120 I CA 1.334 62.634 61.300 0.000 0.000 1.347 120 I CB -0.204 37.797 38.000 0.003 0.000 1.044 120 I HN 0.060 nan 8.210 nan 0.000 0.408 121 D N 0.743 121.140 120.400 -0.005 0.000 2.123 121 D HA -0.219 4.421 4.640 0.001 0.000 0.196 121 D C 2.084 178.378 176.300 -0.010 0.000 0.992 121 D CA 1.253 55.248 54.000 -0.009 0.000 0.833 121 D CB -0.210 40.585 40.800 -0.008 0.000 0.954 121 D HN 0.297 nan 8.370 nan 0.000 0.455 122 K N 0.626 121.022 120.400 -0.006 0.000 2.026 122 K HA -0.098 4.223 4.320 0.001 0.000 0.208 122 K C 2.042 178.638 176.600 -0.006 0.000 1.048 122 K CA 1.273 57.556 56.287 -0.006 0.000 0.929 122 K CB -0.043 32.455 32.500 -0.003 0.000 0.713 122 K HN 0.011 nan 8.250 nan 0.000 0.439 123 A N 0.642 123.460 122.820 -0.004 0.000 1.908 123 A HA -0.125 4.196 4.320 0.001 0.000 0.218 123 A C 2.233 179.813 177.584 -0.006 0.000 1.181 123 A CA 1.749 53.784 52.037 -0.003 0.000 0.627 123 A CB -0.680 18.320 19.000 -0.001 0.000 0.818 123 A HN 0.189 nan 8.150 nan 0.000 0.445 124 V N -0.416 119.492 119.914 -0.010 0.000 2.427 124 V HA -0.212 3.909 4.120 0.001 0.000 0.248 124 V C 2.724 178.807 176.094 -0.019 0.000 1.051 124 V CA 2.399 64.689 62.300 -0.016 0.000 1.048 124 V CB -1.201 30.608 31.823 -0.023 0.000 0.666 124 V HN 0.609 nan 8.190 nan 0.000 0.456 125 T N 0.114 114.656 114.554 -0.019 0.000 2.674 125 T HA -0.172 4.179 4.350 0.001 0.000 0.265 125 T C 1.942 176.633 174.700 -0.014 0.000 1.039 125 T CA 1.822 63.910 62.100 -0.019 0.000 1.150 125 T CB -0.227 68.632 68.868 -0.016 0.000 0.864 125 T HN 0.295 nan 8.240 nan 0.000 0.427 126 V N 1.618 121.526 119.914 -0.009 0.000 2.427 126 V HA -0.117 4.004 4.120 0.001 0.000 0.248 126 V C 2.854 178.945 176.094 -0.005 0.000 1.051 126 V CA 1.513 63.809 62.300 -0.006 0.000 1.048 126 V CB -1.201 30.620 31.823 -0.003 0.000 0.666 126 V HN 0.516 nan 8.190 nan 0.000 0.456 127 A N -0.055 122.762 122.820 -0.005 0.000 1.908 127 A HA -0.166 4.155 4.320 0.001 0.000 0.218 127 A C 2.395 179.977 177.584 -0.004 0.000 1.181 127 A CA 2.120 54.156 52.037 -0.003 0.000 0.627 127 A CB -0.673 18.326 19.000 -0.003 0.000 0.818 127 A HN 0.343 nan 8.150 nan 0.000 0.445 128 V N 0.046 119.953 119.914 -0.011 0.000 2.358 128 V HA -0.267 3.853 4.120 0.001 0.000 0.246 128 V C 2.389 178.478 176.094 -0.009 0.000 1.047 128 V CA 2.282 64.574 62.300 -0.013 0.000 1.035 128 V CB -0.867 30.942 31.823 -0.024 0.000 0.658 128 V HN 0.652 nan 8.190 nan 0.000 0.452 129 E N -0.060 120.135 120.200 -0.008 0.000 2.051 129 E HA -0.284 4.067 4.350 0.001 0.000 0.192 129 E C 2.245 178.844 176.600 -0.001 0.000 0.991 129 E CA 1.469 57.866 56.400 -0.005 0.000 0.799 129 E CB -0.160 29.537 29.700 -0.005 0.000 0.748 129 E HN 0.522 nan 8.360 nan 0.000 0.449 130 E N 0.788 120.988 120.200 0.000 0.000 2.204 130 E HA -0.167 4.183 4.350 0.001 0.000 0.195 130 E C 1.781 178.384 176.600 0.006 0.000 0.990 130 E CA 0.475 56.878 56.400 0.004 0.000 0.821 130 E CB -0.086 29.617 29.700 0.005 0.000 0.750 130 E HN 0.106 nan 8.360 nan 0.000 0.477 131 L N 0.616 121.842 121.223 0.004 0.000 2.093 131 L HA -0.050 4.291 4.340 0.001 0.000 0.208 131 L C 1.839 178.712 176.870 0.006 0.000 1.085 131 L CA 1.769 56.613 54.840 0.006 0.000 0.755 131 L CB -0.282 41.779 42.059 0.004 0.000 0.904 131 L HN 0.004 nan 8.230 nan 0.000 0.435 132 K N -0.915 119.487 120.400 0.003 0.000 2.057 132 K HA -0.073 4.248 4.320 0.001 0.000 0.206 132 K C 2.083 178.686 176.600 0.005 0.000 1.050 132 K CA 1.184 57.473 56.287 0.003 0.000 0.935 132 K CB -0.328 32.172 32.500 0.000 0.000 0.715 132 K HN 0.404 nan 8.250 nan 0.000 0.439 133 A N 1.397 124.220 122.820 0.005 0.000 1.940 133 A HA -0.137 4.184 4.320 0.001 0.000 0.219 133 A C 2.023 179.612 177.584 0.009 0.000 1.176 133 A CA 1.332 53.373 52.037 0.006 0.000 0.631 133 A CB -0.582 18.421 19.000 0.006 0.000 0.814 133 A HN 0.177 nan 8.150 nan 0.000 0.446 134 L N -0.512 120.718 121.223 0.011 0.000 2.418 134 L HA 0.036 4.377 4.340 0.001 0.000 0.218 134 L C 1.377 178.256 176.870 0.014 0.000 1.125 134 L CA 0.093 54.942 54.840 0.014 0.000 0.835 134 L CB -0.411 41.658 42.059 0.017 0.000 0.953 134 L HN 0.308 nan 8.230 nan 0.000 0.454 135 S N -0.291 115.416 115.700 0.012 0.000 2.546 135 S HA 0.135 4.606 4.470 0.001 0.000 0.290 135 S C 0.697 175.303 174.600 0.011 0.000 1.290 135 S CA -0.437 57.770 58.200 0.011 0.000 1.069 135 S CB 0.974 64.180 63.200 0.009 0.000 0.846 135 S HN 0.008 nan 8.310 nan 0.000 0.495 136 V N 6.668 126.589 119.914 0.012 0.000 4.182 136 V HA 0.622 4.743 4.120 0.001 0.000 0.169 136 V C -2.133 173.967 176.094 0.010 0.000 1.250 136 V CA -0.291 62.016 62.300 0.011 0.000 1.451 136 V CB 0.491 32.322 31.823 0.013 0.000 1.621 136 V HN 0.770 nan 8.190 nan 0.000 0.423 137 P HA 0.281 nan 4.420 nan 0.000 0.396 137 P C -2.357 174.947 177.300 0.007 0.000 1.280 137 P CA -0.257 62.848 63.100 0.008 0.000 1.507 137 P CB 1.965 33.670 31.700 0.008 0.000 3.188 138 C N 1.460 120.763 119.300 0.006 0.000 3.445 138 C HA 0.500 4.961 4.460 0.001 0.000 0.213 138 C C 1.072 176.064 174.990 0.003 0.000 1.319 138 C CA 0.278 59.298 59.018 0.004 0.000 1.402 138 C CB -1.623 26.120 27.740 0.004 0.000 1.819 138 C HN 0.530 nan 8.230 nan 0.000 0.491 139 S N 0.953 116.656 115.700 0.004 0.000 2.510 139 S HA 0.071 4.542 4.470 0.001 0.000 0.230 139 S C 0.557 175.159 174.600 0.004 0.000 1.066 139 S CA 0.246 58.448 58.200 0.004 0.000 0.941 139 S CB -0.093 63.111 63.200 0.006 0.000 0.829 139 S HN 0.938 nan 8.310 nan 0.000 0.530 140 D N 1.806 122.209 120.400 0.004 0.000 2.344 140 D HA 0.094 4.735 4.640 0.001 0.000 0.244 140 D C 0.966 177.267 176.300 0.003 0.000 1.134 140 D CA 0.345 54.348 54.000 0.004 0.000 0.930 140 D CB 1.081 41.883 40.800 0.004 0.000 1.175 140 D HN 0.252 nan 8.370 nan 0.000 0.437 141 S N 1.001 116.702 115.700 0.002 0.000 2.419 141 S HA -0.267 4.204 4.470 0.001 0.000 0.235 141 S C 1.686 176.287 174.600 0.001 0.000 1.019 141 S CA 1.032 59.233 58.200 0.001 0.000 0.982 141 S CB -0.345 62.856 63.200 0.001 0.000 0.789 141 S HN 0.647 nan 8.310 nan 0.000 0.490 142 K N 1.753 122.154 120.400 0.002 0.000 2.025 142 K HA 0.007 4.328 4.320 0.001 0.000 0.207 142 K C 2.395 178.995 176.600 0.001 0.000 1.049 142 K CA 1.139 57.427 56.287 0.001 0.000 0.933 142 K CB -0.662 31.840 32.500 0.002 0.000 0.714 142 K HN 0.414 nan 8.250 nan 0.000 0.438 143 A N 1.566 124.387 122.820 0.002 0.000 1.877 143 A HA -0.148 4.173 4.320 0.001 0.000 0.216 143 A C 2.107 179.692 177.584 0.002 0.000 1.186 143 A CA 1.584 53.622 52.037 0.003 0.000 0.620 143 A CB -0.644 18.359 19.000 0.004 0.000 0.822 143 A HN 0.371 nan 8.150 nan 0.000 0.443 144 I N -0.264 120.307 120.570 0.001 0.000 2.208 144 I HA -0.311 3.859 4.170 0.001 0.000 0.245 144 I C 2.974 179.091 176.117 0.001 0.000 1.097 144 I CA 1.107 62.407 61.300 0.001 0.000 1.363 144 I CB -0.422 37.578 38.000 -0.000 0.000 1.051 144 I HN 0.381 nan 8.210 nan 0.000 0.413 145 A N 0.255 123.075 122.820 0.000 0.000 1.877 145 A HA -0.256 4.065 4.320 0.001 0.000 0.216 145 A C 2.267 179.851 177.584 -0.001 0.000 1.186 145 A CA 1.582 53.619 52.037 -0.000 0.000 0.620 145 A CB -0.648 18.351 19.000 -0.000 0.000 0.822 145 A HN 0.445 nan 8.150 nan 0.000 0.443 146 Q N -0.533 119.267 119.800 -0.001 0.000 2.030 146 Q HA -0.148 4.192 4.340 0.001 0.000 0.204 146 Q C 2.191 178.190 176.000 -0.002 0.000 0.986 146 Q CA 1.926 57.728 55.803 -0.002 0.000 0.843 146 Q CB -0.433 28.303 28.738 -0.002 0.000 0.904 146 Q HN 0.474 nan 8.270 nan 0.000 0.420 147 V N 0.471 120.386 119.914 0.001 0.000 2.332 147 V HA -0.252 3.869 4.120 0.001 0.000 0.248 147 V C 2.217 178.314 176.094 0.005 0.000 1.055 147 V CA 2.013 64.315 62.300 0.003 0.000 1.038 147 V CB -1.279 30.548 31.823 0.006 0.000 0.651 147 V HN 0.585 nan 8.190 nan 0.000 0.450 148 G N -0.523 108.279 108.800 0.004 0.000 2.440 148 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 148 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 148 G C 1.689 176.591 174.900 0.003 0.000 1.154 148 G CA 1.582 46.686 45.100 0.006 0.000 0.767 148 G HN 0.477 nan 8.290 nan 0.000 0.552 149 T N 1.455 116.009 114.554 -0.001 0.000 2.674 149 T HA -0.073 4.278 4.350 0.001 0.000 0.265 149 T C 2.390 177.086 174.700 -0.006 0.000 1.039 149 T CA 1.118 63.216 62.100 -0.004 0.000 1.150 149 T CB -0.204 68.660 68.868 -0.006 0.000 0.864 149 T HN 0.248 nan 8.240 nan 0.000 0.427 150 I N 1.320 121.886 120.570 -0.006 0.000 2.264 150 I HA -0.164 4.006 4.170 0.001 0.000 0.248 150 I C 2.397 178.511 176.117 -0.005 0.000 1.111 150 I CA 1.066 62.360 61.300 -0.009 0.000 1.382 150 I CB -0.347 37.648 38.000 -0.009 0.000 1.060 150 I HN 0.187 nan 8.210 nan 0.000 0.418 151 S N 0.476 116.177 115.700 0.001 0.000 2.522 151 S HA 0.112 4.582 4.470 0.001 0.000 0.227 151 S C 1.595 176.197 174.600 0.004 0.000 0.986 151 S CA 0.764 58.968 58.200 0.006 0.000 0.929 151 S CB 0.054 63.265 63.200 0.017 0.000 0.769 151 S HN 0.495 nan 8.310 nan 0.000 0.529 152 A N 1.483 124.304 122.820 0.001 0.000 2.507 152 A HA 0.448 4.769 4.320 0.001 0.000 0.270 152 A C 0.642 178.223 177.584 -0.006 0.000 1.318 152 A CA -0.337 51.699 52.037 -0.001 0.000 0.924 152 A CB -0.556 18.444 19.000 0.000 0.000 1.061 152 A HN 0.381 nan 8.150 nan 0.000 0.516 153 N N -0.484 118.211 118.700 -0.009 0.000 2.783 153 N HA -0.221 4.520 4.740 0.001 0.000 0.247 153 N C 0.216 175.717 175.510 -0.015 0.000 1.089 153 N CA 1.113 54.155 53.050 -0.013 0.000 0.690 153 N CB -1.892 36.588 38.487 -0.012 0.000 0.991 153 N HN 0.521 nan 8.380 nan 0.000 0.552 154 S N -1.763 113.928 115.700 -0.015 0.000 3.361 154 S HA -0.225 4.245 4.470 0.001 0.000 0.288 154 S C -0.357 174.235 174.600 -0.013 0.000 1.269 154 S CA 0.771 58.961 58.200 -0.017 0.000 0.976 154 S CB -1.103 62.084 63.200 -0.022 0.000 1.162 154 S HN 0.737 nan 8.310 nan 0.000 0.643 155 D N 1.636 122.030 120.400 -0.009 0.000 2.453 155 D HA 0.206 4.847 4.640 0.001 0.000 0.223 155 D C 1.118 177.414 176.300 -0.006 0.000 1.183 155 D CA -0.156 53.840 54.000 -0.007 0.000 0.933 155 D CB 0.375 41.172 40.800 -0.005 0.000 1.038 155 D HN 0.487 nan 8.370 nan 0.000 0.513 156 E N 1.170 121.366 120.200 -0.006 0.000 2.267 156 E HA -0.140 4.211 4.350 0.001 0.000 0.197 156 E C 1.346 177.944 176.600 -0.004 0.000 0.998 156 E CA 0.912 57.309 56.400 -0.005 0.000 0.830 156 E CB 0.319 30.015 29.700 -0.006 0.000 0.751 156 E HN 0.464 nan 8.360 nan 0.000 0.491 157 T N 0.754 115.306 114.554 -0.003 0.000 2.643 157 T HA -0.134 4.217 4.350 0.001 0.000 0.264 157 T C 2.128 176.827 174.700 -0.001 0.000 1.045 157 T CA 1.266 63.364 62.100 -0.002 0.000 1.155 157 T CB -0.260 68.606 68.868 -0.002 0.000 0.863 157 T HN 0.001 nan 8.240 nan 0.000 0.420 158 V N 1.540 121.453 119.914 -0.001 0.000 2.380 158 V HA -0.161 3.960 4.120 0.001 0.000 0.251 158 V C 2.816 178.910 176.094 0.001 0.000 1.063 158 V CA 1.962 64.263 62.300 0.001 0.000 1.055 158 V CB -1.464 30.360 31.823 0.002 0.000 0.657 158 V HN 0.629 nan 8.190 nan 0.000 0.455 159 G N -0.280 108.520 108.800 0.000 0.000 2.446 159 G HA2 -0.330 3.631 3.960 0.001 0.000 0.217 159 G HA3 -0.330 3.631 3.960 0.001 0.000 0.217 159 G C 1.628 176.528 174.900 -0.000 0.000 1.168 159 G CA 1.141 46.241 45.100 0.000 0.000 0.771 159 G HN 0.520 nan 8.290 nan 0.000 0.551 160 K N 0.013 120.413 120.400 -0.001 0.000 2.026 160 K HA 0.026 4.346 4.320 0.001 0.000 0.208 160 K C 2.539 179.139 176.600 -0.000 0.000 1.048 160 K CA 0.867 57.154 56.287 -0.001 0.000 0.929 160 K CB -0.315 32.184 32.500 -0.001 0.000 0.713 160 K HN 0.331 nan 8.250 nan 0.000 0.439 161 L N 1.001 122.224 121.223 -0.000 0.000 1.971 161 L HA -0.266 4.075 4.340 0.001 0.000 0.215 161 L C 2.517 179.387 176.870 0.000 0.000 1.072 161 L CA 1.686 56.526 54.840 0.000 0.000 0.758 161 L CB -0.464 41.595 42.059 0.001 0.000 0.889 161 L HN 0.280 nan 8.230 nan 0.000 0.433 162 I N -0.450 120.121 120.570 0.001 0.000 2.194 162 I HA -0.335 3.835 4.170 0.001 0.000 0.246 162 I C 2.759 178.875 176.117 -0.001 0.000 1.093 162 I CA 1.274 62.574 61.300 0.000 0.000 1.355 162 I CB -0.523 37.479 38.000 0.002 0.000 1.046 162 I HN 0.272 nan 8.210 nan 0.000 0.413 163 A N 0.526 123.345 122.820 -0.001 0.000 1.902 163 A HA -0.222 4.099 4.320 0.001 0.000 0.217 163 A C 2.220 179.803 177.584 -0.001 0.000 1.181 163 A CA 1.748 53.784 52.037 -0.001 0.000 0.623 163 A CB -0.556 18.444 19.000 -0.000 0.000 0.818 163 A HN 0.480 nan 8.150 nan 0.000 0.443 164 E N -0.205 119.994 120.200 -0.001 0.000 2.072 164 E HA -0.061 4.290 4.350 0.001 0.000 0.191 164 E C 2.322 178.921 176.600 -0.001 0.000 0.985 164 E CA 0.828 57.228 56.400 -0.001 0.000 0.801 164 E CB -0.303 29.397 29.700 -0.001 0.000 0.750 164 E HN 0.608 nan 8.360 nan 0.000 0.452 165 A N 1.398 124.217 122.820 -0.002 0.000 1.902 165 A HA -0.176 4.145 4.320 0.001 0.000 0.217 165 A C 2.169 179.751 177.584 -0.004 0.000 1.181 165 A CA 1.400 53.435 52.037 -0.003 0.000 0.623 165 A CB -0.443 18.555 19.000 -0.003 0.000 0.818 165 A HN 0.138 nan 8.150 nan 0.000 0.443 166 M N -1.114 118.483 119.600 -0.004 0.000 2.394 166 M HA -0.091 4.390 4.480 0.001 0.000 0.264 166 M C 1.645 177.943 176.300 -0.003 0.000 1.073 166 M CA 1.557 56.854 55.300 -0.005 0.000 1.111 166 M CB -0.387 32.209 32.600 -0.006 0.000 1.401 166 M HN 0.479 nan 8.290 nan 0.000 0.448 167 D N 0.590 120.989 120.400 -0.002 0.000 2.224 167 D HA -0.103 4.538 4.640 0.001 0.000 0.205 167 D C 2.006 178.305 176.300 -0.000 0.000 0.965 167 D CA 1.031 55.031 54.000 -0.001 0.000 0.852 167 D CB 0.370 41.170 40.800 -0.000 0.000 0.947 167 D HN 0.009 nan 8.370 nan 0.000 0.494 168 K N 0.001 120.401 120.400 -0.001 0.000 1.980 168 K HA -0.012 4.308 4.320 0.001 0.000 0.208 168 K C 2.027 178.627 176.600 0.000 0.000 1.043 168 K CA 1.333 57.620 56.287 -0.000 0.000 0.938 168 K CB -0.797 31.702 32.500 -0.001 0.000 0.724 168 K HN 0.247 nan 8.250 nan 0.000 0.438 169 V N -1.715 118.198 119.914 -0.001 0.000 3.633 169 V HA 0.340 4.460 4.120 0.001 0.000 0.283 169 V C 0.562 176.656 176.094 0.000 0.000 1.305 169 V CA 0.221 62.522 62.300 0.000 0.000 1.153 169 V CB -0.816 31.006 31.823 -0.002 0.000 0.950 169 V HN 0.442 nan 8.190 nan 0.000 0.432 170 G N 1.990 110.790 108.800 -0.001 0.000 2.716 170 G HA2 -0.207 3.754 3.960 0.001 0.000 0.686 170 G HA3 -0.207 3.754 3.960 0.001 0.000 0.686 170 G C 0.174 175.071 174.900 -0.004 0.000 1.337 170 G CA -0.071 45.029 45.100 -0.000 0.000 0.829 170 G HN 0.763 nan 8.290 nan 0.000 0.599 171 K N -0.147 120.251 120.400 -0.004 0.000 2.515 171 K HA 0.043 4.364 4.320 0.001 0.000 0.196 171 K C 1.038 177.630 176.600 -0.013 0.000 1.038 171 K CA 1.585 57.867 56.287 -0.008 0.000 0.967 171 K CB 0.308 32.804 32.500 -0.006 0.000 0.780 171 K HN 0.428 nan 8.250 nan 0.000 0.483 172 E N 1.207 121.402 120.200 -0.009 0.000 2.476 172 E HA 0.085 4.436 4.350 0.001 0.000 0.199 172 E C 0.901 177.492 176.600 -0.015 0.000 1.021 172 E CA 0.121 56.514 56.400 -0.011 0.000 0.907 172 E CB 0.705 30.405 29.700 -0.001 0.000 0.974 172 E HN 0.416 nan 8.360 nan 0.000 0.489 173 G N 1.024 109.817 108.800 -0.012 0.000 2.651 173 G HA2 0.266 4.226 3.960 0.001 0.000 0.260 173 G HA3 0.266 4.226 3.960 0.001 0.000 0.260 173 G C 0.145 175.029 174.900 -0.027 0.000 1.216 173 G CA -0.464 44.628 45.100 -0.014 0.000 0.913 173 G HN -0.058 nan 8.290 nan 0.000 0.535 174 V N 0.480 120.375 119.914 -0.032 0.000 2.546 174 V HA 0.427 4.548 4.120 0.001 0.000 0.284 174 V C 0.283 176.360 176.094 -0.028 0.000 1.050 174 V CA 0.065 62.341 62.300 -0.041 0.000 0.981 174 V CB 0.835 32.624 31.823 -0.056 0.000 0.990 174 V HN 0.451 nan 8.190 nan 0.000 0.474 175 I N 3.493 124.047 120.570 -0.027 0.000 2.607 175 I HA 0.525 4.695 4.170 0.001 0.000 0.290 175 I C -0.288 175.821 176.117 -0.013 0.000 1.129 175 I CA -0.184 61.106 61.300 -0.017 0.000 1.042 175 I CB 2.601 40.592 38.000 -0.015 0.000 1.242 175 I HN 0.584 nan 8.210 nan 0.000 0.421 176 T N 4.312 118.861 114.554 -0.008 0.000 2.901 176 T HA 0.684 5.034 4.350 0.001 0.000 0.293 176 T C -0.764 173.937 174.700 0.001 0.000 1.084 176 T CA -0.714 61.385 62.100 -0.002 0.000 1.008 176 T CB 2.598 71.463 68.868 -0.004 0.000 1.170 176 T HN 0.458 nan 8.240 nan 0.000 0.509 177 V N -0.789 119.128 119.914 0.005 0.000 2.638 177 V HA 0.843 4.964 4.120 0.001 0.000 0.306 177 V C -1.065 175.032 176.094 0.004 0.000 1.052 177 V CA -0.799 61.504 62.300 0.005 0.000 0.885 177 V CB 1.723 33.551 31.823 0.008 0.000 0.999 177 V HN 0.939 nan 8.190 nan 0.000 0.424 178 E N 1.989 122.191 120.200 0.003 0.000 2.392 178 E HA 0.432 4.783 4.350 0.001 0.000 0.269 178 E C -1.440 175.161 176.600 0.002 0.000 0.924 178 E CA -1.060 55.341 56.400 0.002 0.000 0.784 178 E CB 1.821 31.522 29.700 0.001 0.000 1.292 178 E HN 0.788 nan 8.360 nan 0.000 0.447 179 D N 0.997 121.397 120.400 0.001 0.000 2.472 179 D HA 0.106 4.747 4.640 0.001 0.000 0.237 179 D C 0.173 176.473 176.300 0.000 0.000 1.141 179 D CA 0.475 54.475 54.000 0.001 0.000 0.875 179 D CB 0.910 41.711 40.800 0.000 0.000 1.192 179 D HN 0.486 nan 8.370 nan 0.000 0.450 180 G N -0.282 108.518 108.800 -0.000 0.000 2.562 180 G HA2 0.245 4.206 3.960 0.001 0.000 0.275 180 G HA3 0.245 4.206 3.960 0.001 0.000 0.275 180 G C 1.120 176.019 174.900 -0.001 0.000 1.196 180 G CA -0.231 44.869 45.100 -0.000 0.000 0.908 180 G HN 0.444 nan 8.290 nan 0.000 0.524 181 T N -2.909 111.644 114.554 -0.001 0.000 3.055 181 T HA 0.388 4.738 4.350 0.001 0.000 0.265 181 T C 1.113 175.813 174.700 -0.001 0.000 1.111 181 T CA 0.797 62.896 62.100 -0.001 0.000 1.118 181 T CB -0.078 68.789 68.868 -0.001 0.000 0.909 181 T HN 2.090 nan 8.240 nan 0.000 0.501 182 G N 1.454 110.253 108.800 -0.001 0.000 3.160 182 G HA2 0.347 4.307 3.960 0.001 0.000 0.573 182 G HA3 0.347 4.307 3.960 0.001 0.000 0.573 182 G C -0.830 174.070 174.900 -0.001 0.000 1.286 182 G CA -0.692 44.407 45.100 -0.001 0.000 1.151 182 G HN 0.754 nan 8.290 nan 0.000 0.555 183 L N 0.916 122.138 121.223 -0.001 0.000 0.917 183 L HA -0.158 4.183 4.340 0.001 0.000 0.366 183 L C 0.323 177.193 176.870 -0.001 0.000 1.004 183 L CA 2.214 57.053 54.840 -0.001 0.000 1.219 183 L CB -0.737 41.322 42.059 -0.001 0.000 0.252 183 L HN 1.980 nan 8.230 nan 0.000 0.192 184 Q N 1.970 121.769 119.800 -0.001 0.000 3.203 184 Q HA -0.093 4.248 4.340 0.001 0.000 0.033 184 Q C -0.648 175.351 176.000 -0.001 0.000 1.693 184 Q CA 0.988 56.791 55.803 -0.001 0.000 0.254 184 Q CB -0.109 28.628 28.738 -0.001 0.000 0.583 184 Q HN 0.675 nan 8.270 nan 0.000 0.322 185 D N 2.543 122.943 120.400 -0.001 0.000 2.329 185 D HA 0.312 4.953 4.640 0.001 0.000 0.246 185 D C -0.099 176.200 176.300 -0.001 0.000 1.111 185 D CA 0.041 54.040 54.000 -0.001 0.000 0.941 185 D CB 0.814 41.614 40.800 -0.000 0.000 1.169 185 D HN 0.322 nan 8.370 nan 0.000 0.441 186 E N 0.050 120.249 120.200 -0.001 0.000 2.272 186 E HA 0.456 4.807 4.350 0.001 0.000 0.269 186 E C -1.180 175.420 176.600 -0.001 0.000 0.877 186 E CA -0.860 55.540 56.400 -0.001 0.000 0.755 186 E CB 2.457 32.157 29.700 -0.001 0.000 1.192 186 E HN 0.069 nan 8.360 nan 0.000 0.422 187 L N 4.160 125.383 121.223 -0.001 0.000 2.406 187 L HA 0.440 4.781 4.340 0.001 0.000 0.270 187 L C -1.829 175.041 176.870 -0.001 0.000 0.982 187 L CA -0.305 54.534 54.840 -0.001 0.000 0.843 187 L CB 1.157 43.215 42.059 -0.001 0.000 1.225 187 L HN 0.492 nan 8.230 nan 0.000 0.412 188 D N 4.208 124.607 120.400 -0.001 0.000 2.857 188 D HA 0.360 5.000 4.640 0.001 0.000 0.227 188 D C -1.041 175.258 176.300 -0.001 0.000 1.192 188 D CA -0.472 53.528 54.000 -0.001 0.000 0.857 188 D CB 2.238 43.037 40.800 -0.001 0.000 1.645 188 D HN 0.238 nan 8.370 nan 0.000 0.482 189 V N 1.125 121.039 119.914 -0.000 0.000 2.406 189 V HA 0.404 4.525 4.120 0.001 0.000 0.272 189 V C 0.810 176.905 176.094 0.001 0.000 1.043 189 V CA -0.594 61.706 62.300 0.000 0.000 0.915 189 V CB 0.898 32.722 31.823 0.002 0.000 0.988 189 V HN 0.588 nan 8.190 nan 0.000 0.466 190 V N 1.942 121.856 119.914 0.001 0.000 3.103 190 V HA 0.739 4.860 4.120 0.001 0.000 0.318 190 V C 0.101 176.199 176.094 0.006 0.000 1.114 190 V CA -0.841 61.461 62.300 0.002 0.000 1.020 190 V CB 1.999 33.822 31.823 -0.001 0.000 1.085 190 V HN 0.661 nan 8.190 nan 0.000 0.446 191 E N 0.515 120.720 120.200 0.008 0.000 2.816 191 E HA 0.667 5.017 4.350 0.001 0.000 0.260 191 E C 0.398 177.006 176.600 0.013 0.000 1.414 191 E CA 0.923 57.334 56.400 0.017 0.000 1.074 191 E CB 0.632 30.343 29.700 0.018 0.000 1.123 191 E HN 1.572 nan 8.360 nan 0.000 0.664 192 G N -0.739 108.071 108.800 0.017 0.000 2.353 192 G HA2 0.225 4.185 3.960 0.001 0.000 0.424 192 G HA3 0.225 4.185 3.960 0.001 0.000 0.424 192 G C -1.210 173.712 174.900 0.037 0.000 1.320 192 G CA -0.229 44.886 45.100 0.026 0.000 0.995 192 G HN 0.405 nan 8.290 nan 0.000 0.580 193 M N -0.364 119.271 119.600 0.058 0.000 2.643 193 M HA 0.683 5.164 4.480 0.001 0.000 0.276 193 M C -2.034 174.335 176.300 0.115 0.000 1.200 193 M CA -0.703 54.648 55.300 0.085 0.000 0.863 193 M CB 2.271 34.930 32.600 0.099 0.000 1.711 193 M HN 0.889 nan 8.290 nan 0.000 0.492 194 Q N 3.173 123.048 119.800 0.125 0.000 2.271 194 Q HA 0.611 4.952 4.340 0.001 0.000 0.268 194 Q C -2.197 173.899 176.000 0.160 0.000 1.021 194 Q CA -0.596 55.252 55.803 0.075 0.000 0.802 194 Q CB 2.072 30.808 28.738 -0.004 0.000 1.282 194 Q HN 0.583 nan 8.270 nan 0.000 0.431 195 F N -0.019 119.923 119.950 -0.012 0.000 2.593 195 F HA 0.530 5.058 4.527 0.001 0.000 0.320 195 F C -0.439 175.351 175.800 -0.016 0.000 1.060 195 F CA -1.295 56.698 58.000 -0.011 0.000 0.940 195 F CB 0.982 39.979 39.000 -0.006 0.000 1.268 195 F HN 0.271 nan 8.300 nan 0.000 0.475 196 D N 3.448 123.917 120.400 0.114 0.000 2.545 196 D HA 0.188 4.829 4.640 0.001 0.000 0.227 196 D C -0.281 176.032 176.300 0.023 0.000 1.150 196 D CA 0.325 54.331 54.000 0.010 0.000 1.046 196 D CB -0.096 40.725 40.800 0.035 0.000 1.098 196 D HN 0.319 nan 8.370 nan 0.000 0.502 197 R N 0.658 121.090 120.500 -0.113 0.000 2.523 197 R HA 0.422 4.763 4.340 0.001 0.000 0.278 197 R C 0.150 176.329 176.300 -0.201 0.000 1.150 197 R CA -0.667 55.395 56.100 -0.064 0.000 0.987 197 R CB 1.783 32.179 30.300 0.160 0.000 1.232 197 R HN 0.284 nan 8.270 nan 0.000 0.424 198 G N 1.155 109.833 108.800 -0.203 0.000 2.557 198 G HA2 0.443 4.404 3.960 0.001 0.000 0.302 198 G HA3 0.443 4.404 3.960 0.001 0.000 0.302 198 G C -0.556 174.201 174.900 -0.239 0.000 1.311 198 G CA -0.551 44.344 45.100 -0.342 0.000 1.030 198 G HN 0.435 nan 8.290 nan 0.000 0.509 199 Y N -1.182 119.127 120.300 0.015 0.000 2.702 199 Y HA 0.259 4.810 4.550 0.001 0.000 0.336 199 Y C 1.148 177.131 175.900 0.140 0.000 1.235 199 Y CA -0.994 57.149 58.100 0.071 0.000 1.492 199 Y CB 0.299 38.863 38.460 0.174 0.000 1.308 199 Y HN 0.173 nan 8.280 nan 0.000 0.589 200 L N 2.844 124.299 121.223 0.385 0.000 2.675 200 L HA 0.088 4.429 4.340 0.001 0.000 0.239 200 L C 0.107 177.236 176.870 0.431 0.000 1.151 200 L CA 0.772 55.816 54.840 0.340 0.000 0.905 200 L CB -1.067 41.155 42.059 0.271 0.000 1.057 200 L HN 0.914 nan 8.230 nan 0.000 0.435 201 S N -3.906 112.147 115.700 0.589 0.000 2.769 201 S HA 0.254 4.725 4.470 0.001 0.000 0.283 201 S C -2.973 171.689 174.600 0.103 0.000 0.936 201 S CA -1.225 57.176 58.200 0.336 0.000 0.893 201 S CB 0.904 64.220 63.200 0.193 0.000 1.125 201 S HN -0.257 nan 8.310 nan 0.000 0.464 202 P HA 0.423 nan 4.420 nan 0.000 0.321 202 P C 0.322 177.328 177.300 -0.490 0.000 1.338 202 P CA 0.535 63.257 63.100 -0.631 0.000 0.764 202 P CB -0.125 31.184 31.700 -0.652 0.000 1.641 203 Y N -4.891 115.213 120.300 -0.326 0.000 2.802 203 Y HA -0.304 4.247 4.550 0.001 0.000 0.485 203 Y C 1.869 177.622 175.900 -0.244 0.000 1.190 203 Y CA 1.497 59.417 58.100 -0.300 0.000 2.757 203 Y CB -3.075 35.145 38.460 -0.399 0.000 0.919 203 Y HN 0.110 nan 8.280 nan 0.000 0.540 204 F N 0.613 120.554 119.950 -0.016 0.000 2.307 204 F HA -0.060 4.468 4.527 0.001 0.000 0.301 204 F C 1.449 177.195 175.800 -0.091 0.000 1.076 204 F CA 0.770 58.749 58.000 -0.035 0.000 1.383 204 F CB -0.581 38.406 39.000 -0.021 0.000 1.055 204 F HN -0.004 nan 8.300 nan 0.000 0.526 205 I N 2.548 123.087 120.570 -0.052 0.000 2.680 205 I HA -0.146 4.024 4.170 0.001 0.000 0.286 205 I C 0.868 176.975 176.117 -0.016 0.000 1.144 205 I CA 0.185 61.432 61.300 -0.087 0.000 1.370 205 I CB -0.090 37.782 38.000 -0.213 0.000 1.420 205 I HN 0.184 nan 8.210 nan 0.000 0.540 206 N N 5.307 124.020 118.700 0.022 0.000 2.373 206 N HA -0.016 4.724 4.740 0.001 0.000 0.181 206 N C 0.085 175.603 175.510 0.013 0.000 1.082 206 N CA 0.274 53.339 53.050 0.025 0.000 0.885 206 N CB 0.288 38.798 38.487 0.039 0.000 0.977 206 N HN 0.441 nan 8.380 nan 0.000 0.462 207 K N 1.051 121.456 120.400 0.009 0.000 2.624 207 K HA 0.243 4.564 4.320 0.001 0.000 0.200 207 K C -2.093 174.508 176.600 0.001 0.000 1.036 207 K CA -1.741 54.550 56.287 0.007 0.000 1.029 207 K CB 2.030 34.538 32.500 0.014 0.000 1.317 207 K HN 0.021 nan 8.250 nan 0.000 0.555 208 P HA -0.176 nan 4.420 nan 0.000 0.223 208 P C 0.271 177.568 177.300 -0.005 0.000 1.144 208 P CA 1.152 64.242 63.100 -0.016 0.000 0.783 208 P CB 0.508 32.194 31.700 -0.023 0.000 0.771 209 E N -0.127 120.073 120.200 0.000 0.000 2.077 209 E HA -0.097 4.254 4.350 0.001 0.000 0.193 209 E C 1.619 178.224 176.600 0.009 0.000 0.989 209 E CA 1.718 58.120 56.400 0.003 0.000 0.800 209 E CB -1.058 28.645 29.700 0.004 0.000 0.746 209 E HN 0.264 nan 8.360 nan 0.000 0.452 210 T N -1.379 113.184 114.554 0.015 0.000 3.054 210 T HA 0.275 4.625 4.350 0.001 0.000 0.255 210 T C 1.087 175.811 174.700 0.041 0.000 1.035 210 T CA 0.284 62.399 62.100 0.026 0.000 0.941 210 T CB 0.688 69.572 68.868 0.026 0.000 1.026 210 T HN 0.337 nan 8.240 nan 0.000 0.533 211 G N 1.808 110.626 108.800 0.031 0.000 2.258 211 G HA2 -0.059 3.902 3.960 0.001 0.000 0.274 211 G HA3 -0.059 3.902 3.960 0.001 0.000 0.274 211 G C 0.161 175.121 174.900 0.100 0.000 1.021 211 G CA 0.282 45.407 45.100 0.041 0.000 0.798 211 G HN 0.910 nan 8.290 nan 0.000 0.507 212 A N -1.606 121.264 122.820 0.084 0.000 2.387 212 A HA 0.933 5.254 4.320 0.001 0.000 0.298 212 A C -0.250 177.387 177.584 0.087 0.000 1.165 212 A CA -0.237 51.880 52.037 0.134 0.000 0.814 212 A CB 1.960 21.017 19.000 0.095 0.000 1.357 212 A HN 1.146 nan 8.150 nan 0.000 0.443 213 V N 0.764 120.750 119.914 0.119 0.000 2.459 213 V HA 0.556 4.677 4.120 0.001 0.000 0.295 213 V C -0.152 175.974 176.094 0.053 0.000 1.029 213 V CA -0.390 61.961 62.300 0.085 0.000 0.874 213 V CB 1.313 33.207 31.823 0.119 0.000 0.985 213 V HN 0.915 nan 8.190 nan 0.000 0.438 214 E N 4.251 124.473 120.200 0.036 0.000 2.224 214 E HA 0.673 5.024 4.350 0.001 0.000 0.265 214 E C -1.792 174.816 176.600 0.013 0.000 0.878 214 E CA -0.588 55.823 56.400 0.019 0.000 0.759 214 E CB 1.710 31.418 29.700 0.014 0.000 1.164 214 E HN 0.631 nan 8.360 nan 0.000 0.414 215 L N 3.141 124.365 121.223 0.002 0.000 2.362 215 L HA 0.531 4.872 4.340 0.001 0.000 0.271 215 L C -0.460 176.398 176.870 -0.020 0.000 1.002 215 L CA -0.872 53.965 54.840 -0.006 0.000 0.818 215 L CB 2.107 44.161 42.059 -0.008 0.000 1.298 215 L HN 0.511 nan 8.230 nan 0.000 0.420 216 E N 1.021 121.203 120.200 -0.030 0.000 2.158 216 E HA 0.319 4.670 4.350 0.001 0.000 0.271 216 E C -0.464 176.090 176.600 -0.077 0.000 0.911 216 E CA -0.584 55.791 56.400 -0.043 0.000 0.767 216 E CB 1.699 31.379 29.700 -0.032 0.000 1.120 216 E HN 0.607 nan 8.360 nan 0.000 0.405 217 S N 1.961 117.606 115.700 -0.092 0.000 3.550 217 S HA -0.132 4.339 4.470 0.001 0.000 0.372 217 S C -2.134 172.317 174.600 -0.249 0.000 0.966 217 S CA 0.428 58.537 58.200 -0.152 0.000 1.229 217 S CB -1.404 61.709 63.200 -0.144 0.000 0.917 217 S HN 0.491 nan 8.310 nan 0.000 0.496 218 P HA 0.588 nan 4.420 nan 0.000 0.283 218 P C -0.217 176.930 177.300 -0.255 0.000 1.278 218 P CA -0.751 62.225 63.100 -0.208 0.000 0.834 218 P CB 0.608 32.268 31.700 -0.066 0.000 1.150 219 F N -0.087 119.868 119.950 0.008 0.000 2.379 219 F HA 0.423 4.951 4.527 0.001 0.000 0.332 219 F C 0.846 176.650 175.800 0.007 0.000 1.096 219 F CA -0.371 57.633 58.000 0.007 0.000 1.105 219 F CB 0.640 39.643 39.000 0.006 0.000 1.189 219 F HN 0.019 nan 8.300 nan 0.000 0.515 220 I N 4.496 125.198 120.570 0.220 0.000 2.420 220 I HA 0.208 4.379 4.170 0.001 0.000 0.282 220 I C -1.095 175.077 176.117 0.091 0.000 1.019 220 I CA -0.860 60.513 61.300 0.121 0.000 1.130 220 I CB 1.474 39.527 38.000 0.088 0.000 1.262 220 I HN 0.268 nan 8.210 nan 0.000 0.454 221 L N 8.295 129.559 121.223 0.068 0.000 2.313 221 L HA 0.369 4.710 4.340 0.001 0.000 0.282 221 L C -0.647 176.238 176.870 0.024 0.000 1.092 221 L CA 0.266 55.128 54.840 0.037 0.000 0.831 221 L CB 0.487 42.563 42.059 0.027 0.000 1.159 221 L HN 0.482 nan 8.230 nan 0.000 0.442 222 L N 6.901 128.131 121.223 0.012 0.000 2.417 222 L HA 0.544 4.885 4.340 0.001 0.000 0.258 222 L C 0.200 177.066 176.870 -0.007 0.000 1.088 222 L CA -0.382 54.456 54.840 -0.003 0.000 0.975 222 L CB 0.554 42.605 42.059 -0.013 0.000 1.341 222 L HN 0.792 nan 8.230 nan 0.000 0.431 223 A N 0.802 123.621 122.820 -0.001 0.000 2.276 223 A HA 0.276 4.597 4.320 0.001 0.000 0.300 223 A C -0.034 177.549 177.584 -0.003 0.000 1.235 223 A CA -0.423 51.614 52.037 -0.001 0.000 0.867 223 A CB 0.453 19.456 19.000 0.007 0.000 1.137 223 A HN 0.596 nan 8.150 nan 0.000 0.527 224 D N 2.312 122.708 120.400 -0.007 0.000 2.896 224 D HA 0.348 4.988 4.640 0.001 0.000 0.240 224 D C 0.032 176.333 176.300 0.001 0.000 1.193 224 D CA 0.143 54.139 54.000 -0.008 0.000 0.983 224 D CB -0.599 40.192 40.800 -0.014 0.000 1.074 224 D HN 0.646 nan 8.370 nan 0.000 0.496 225 K N -0.887 119.518 120.400 0.009 0.000 2.999 225 K HA 0.256 4.577 4.320 0.001 0.000 0.295 225 K C -1.230 175.383 176.600 0.022 0.000 1.082 225 K CA -1.159 55.137 56.287 0.015 0.000 0.816 225 K CB 0.638 33.145 32.500 0.012 0.000 1.492 225 K HN -0.179 nan 8.250 nan 0.000 0.362 226 K N 0.924 121.339 120.400 0.026 0.000 2.185 226 K HA 0.425 4.746 4.320 0.001 0.000 0.271 226 K C -0.493 176.124 176.600 0.029 0.000 1.013 226 K CA -0.478 55.827 56.287 0.032 0.000 0.943 226 K CB 0.720 33.240 32.500 0.033 0.000 0.998 226 K HN 0.375 nan 8.250 nan 0.000 0.468 227 I N 1.945 122.536 120.570 0.035 0.000 2.411 227 I HA 0.077 4.247 4.170 0.001 0.000 0.284 227 I C 0.291 176.431 176.117 0.038 0.000 1.012 227 I CA -0.096 61.224 61.300 0.034 0.000 1.119 227 I CB 1.824 39.846 38.000 0.036 0.000 1.261 227 I HN 0.640 nan 8.210 nan 0.000 0.448 228 S N 3.318 119.037 115.700 0.032 0.000 2.566 228 S HA 0.196 4.666 4.470 0.001 0.000 0.234 228 S C 0.668 175.285 174.600 0.028 0.000 1.075 228 S CA -0.034 58.185 58.200 0.032 0.000 0.926 228 S CB 0.236 63.452 63.200 0.027 0.000 0.811 228 S HN 0.583 nan 8.310 nan 0.000 0.518 229 N N 1.967 120.681 118.700 0.024 0.000 2.434 229 N HA 0.290 5.031 4.740 0.001 0.000 0.272 229 N C 0.532 176.055 175.510 0.021 0.000 1.040 229 N CA -0.093 52.968 53.050 0.020 0.000 0.956 229 N CB 1.753 40.250 38.487 0.015 0.000 1.108 229 N HN 0.172 nan 8.380 nan 0.000 0.481 230 I N 2.910 123.493 120.570 0.021 0.000 2.454 230 I HA -0.238 3.933 4.170 0.001 0.000 0.254 230 I C 1.991 178.117 176.117 0.017 0.000 1.156 230 I CA 1.061 62.374 61.300 0.022 0.000 1.433 230 I CB 0.206 38.219 38.000 0.021 0.000 1.082 230 I HN 0.431 nan 8.210 nan 0.000 0.432 231 R N 0.902 121.410 120.500 0.013 0.000 2.134 231 R HA -0.268 4.073 4.340 0.001 0.000 0.248 231 R C 2.024 178.328 176.300 0.007 0.000 1.143 231 R CA 2.391 58.496 56.100 0.009 0.000 0.957 231 R CB -0.649 29.655 30.300 0.007 0.000 0.867 231 R HN 0.564 nan 8.270 nan 0.000 0.441 232 E N -0.085 120.120 120.200 0.009 0.000 2.118 232 E HA -0.194 4.157 4.350 0.001 0.000 0.195 232 E C 2.027 178.630 176.600 0.006 0.000 0.992 232 E CA 1.192 57.596 56.400 0.007 0.000 0.804 232 E CB -0.044 29.662 29.700 0.009 0.000 0.741 232 E HN 0.281 nan 8.360 nan 0.000 0.458 233 M N 0.249 119.856 119.600 0.011 0.000 2.236 233 M HA -0.026 4.455 4.480 0.001 0.000 0.266 233 M C 2.359 178.663 176.300 0.007 0.000 1.070 233 M CA 0.949 56.256 55.300 0.011 0.000 1.137 233 M CB -0.852 31.762 32.600 0.022 0.000 1.378 233 M HN 0.140 nan 8.290 nan 0.000 0.426 234 L N 0.683 121.910 121.223 0.008 0.000 2.058 234 L HA -0.279 4.061 4.340 0.001 0.000 0.226 234 L C -0.175 176.694 176.870 -0.002 0.000 1.089 234 L CA 2.117 56.960 54.840 0.005 0.000 0.799 234 L CB -2.708 39.353 42.059 0.004 0.000 0.900 234 L HN 0.205 nan 8.230 nan 0.000 0.442 235 P HA -0.125 nan 4.420 nan 0.000 0.215 235 P C 1.850 179.135 177.300 -0.025 0.000 1.157 235 P CA 1.600 64.691 63.100 -0.015 0.000 0.863 235 P CB 0.004 31.694 31.700 -0.016 0.000 0.787 236 V N 0.283 120.181 119.914 -0.027 0.000 2.453 236 V HA -0.164 3.957 4.120 0.001 0.000 0.247 236 V C 2.882 178.955 176.094 -0.035 0.000 1.048 236 V CA 1.246 63.520 62.300 -0.044 0.000 1.049 236 V CB -1.222 30.577 31.823 -0.039 0.000 0.672 236 V HN -0.016 nan 8.190 nan 0.000 0.457 237 L N -0.123 121.094 121.223 -0.009 0.000 2.079 237 L HA -0.206 4.134 4.340 0.001 0.000 0.210 237 L C 2.581 179.455 176.870 0.006 0.000 1.081 237 L CA 1.744 56.589 54.840 0.009 0.000 0.752 237 L CB -0.576 41.495 42.059 0.020 0.000 0.896 237 L HN 0.420 nan 8.230 nan 0.000 0.433 238 E N 0.017 120.215 120.200 -0.003 0.000 2.107 238 E HA -0.140 4.211 4.350 0.001 0.000 0.191 238 E C 2.319 178.911 176.600 -0.014 0.000 0.982 238 E CA 0.933 57.331 56.400 -0.003 0.000 0.809 238 E CB -0.130 29.567 29.700 -0.005 0.000 0.756 238 E HN 0.477 nan 8.360 nan 0.000 0.459 239 A N 1.039 123.835 122.820 -0.039 0.000 1.972 239 A HA -0.123 4.197 4.320 0.001 0.000 0.219 239 A C 2.381 179.916 177.584 -0.082 0.000 1.169 239 A CA 1.062 53.056 52.037 -0.071 0.000 0.635 239 A CB -0.340 18.593 19.000 -0.111 0.000 0.810 239 A HN 0.119 nan 8.150 nan 0.000 0.446 240 V N -0.617 119.261 119.914 -0.059 0.000 2.951 240 V HA -0.044 4.077 4.120 0.001 0.000 0.255 240 V C 2.840 178.985 176.094 0.085 0.000 1.088 240 V CA 1.116 63.425 62.300 0.016 0.000 1.109 240 V CB -0.808 31.053 31.823 0.064 0.000 0.724 240 V HN 0.579 nan 8.190 nan 0.000 0.471 241 A N 0.087 122.934 122.820 0.046 0.000 1.940 241 A HA -0.153 4.168 4.320 0.001 0.000 0.219 241 A C 1.571 179.188 177.584 0.055 0.000 1.176 241 A CA 1.300 53.366 52.037 0.048 0.000 0.631 241 A CB -0.199 18.818 19.000 0.029 0.000 0.814 241 A HN 0.542 nan 8.150 nan 0.000 0.446 242 K N -2.944 117.484 120.400 0.047 0.000 2.155 242 K HA 0.474 4.795 4.320 0.001 0.000 0.237 242 K C 1.053 177.711 176.600 0.096 0.000 1.040 242 K CA 0.134 56.453 56.287 0.052 0.000 0.912 242 K CB 0.215 32.733 32.500 0.030 0.000 1.137 242 K HN 0.680 nan 8.250 nan 0.000 0.498 243 A N -0.024 122.854 122.820 0.096 0.000 3.721 243 A HA -0.216 4.105 4.320 0.001 0.000 0.270 243 A C 1.119 178.777 177.584 0.122 0.000 1.036 243 A CA 1.480 53.602 52.037 0.140 0.000 1.102 243 A CB -2.493 16.668 19.000 0.268 0.000 1.100 243 A HN 1.358 nan 8.150 nan 0.000 0.887 244 G N -0.983 107.876 108.800 0.100 0.000 2.421 244 G HA2 -0.255 3.706 3.960 0.001 0.000 0.300 244 G HA3 -0.255 3.706 3.960 0.001 0.000 0.300 244 G C -0.077 174.857 174.900 0.056 0.000 0.974 244 G CA 1.481 46.622 45.100 0.069 0.000 1.062 244 G HN 1.164 nan 8.290 nan 0.000 0.514 245 K N 0.518 120.976 120.400 0.097 0.000 2.316 245 K HA 0.510 4.831 4.320 0.001 0.000 0.251 245 K C -2.276 174.366 176.600 0.071 0.000 0.934 245 K CA -2.070 54.222 56.287 0.009 0.000 0.802 245 K CB 2.908 35.282 32.500 -0.210 0.000 1.171 245 K HN 0.066 nan 8.250 nan 0.000 0.426 246 P HA 0.119 nan 4.420 nan 0.000 0.274 246 P C -1.141 176.211 177.300 0.086 0.000 1.246 246 P CA -0.567 62.563 63.100 0.049 0.000 0.795 246 P CB 0.735 32.445 31.700 0.017 0.000 1.006 247 L N 1.797 123.075 121.223 0.093 0.000 2.362 247 L HA 0.527 4.867 4.340 0.001 0.000 0.275 247 L C -1.287 175.612 176.870 0.047 0.000 0.998 247 L CA -0.979 53.928 54.840 0.111 0.000 0.820 247 L CB 1.539 43.669 42.059 0.120 0.000 1.270 247 L HN 0.167 nan 8.230 nan 0.000 0.415 248 L N 6.189 127.442 121.223 0.050 0.000 2.298 248 L HA 0.584 4.924 4.340 0.001 0.000 0.284 248 L C -1.128 175.756 176.870 0.022 0.000 1.013 248 L CA -0.201 54.646 54.840 0.012 0.000 0.824 248 L CB 1.039 43.114 42.059 0.027 0.000 1.221 248 L HN 0.423 nan 8.230 nan 0.000 0.418 249 I N 7.228 127.791 120.570 -0.012 0.000 2.297 249 I HA 0.252 4.423 4.170 0.001 0.000 0.291 249 I C 0.064 176.194 176.117 0.023 0.000 1.033 249 I CA -0.057 61.247 61.300 0.007 0.000 1.253 249 I CB 0.885 38.883 38.000 -0.003 0.000 1.396 249 I HN 0.580 nan 8.210 nan 0.000 0.476 250 I N 6.228 126.821 120.570 0.039 0.000 2.620 250 I HA 0.382 4.553 4.170 0.001 0.000 0.280 250 I C 0.559 176.691 176.117 0.024 0.000 1.143 250 I CA -0.168 61.163 61.300 0.051 0.000 1.163 250 I CB 0.682 38.711 38.000 0.048 0.000 1.461 250 I HN 0.600 nan 8.210 nan 0.000 0.530 251 A N 3.085 125.924 122.820 0.032 0.000 2.284 251 A HA 0.388 4.709 4.320 0.001 0.000 0.317 251 A C 1.190 178.793 177.584 0.032 0.000 1.120 251 A CA -0.463 51.589 52.037 0.025 0.000 0.900 251 A CB 0.926 19.943 19.000 0.029 0.000 1.319 251 A HN 0.634 nan 8.150 nan 0.000 0.494 252 E N -0.872 119.345 120.200 0.029 0.000 2.209 252 E HA -0.121 4.229 4.350 0.001 0.000 0.196 252 E C -0.517 176.114 176.600 0.051 0.000 0.993 252 E CA 1.483 57.905 56.400 0.037 0.000 0.819 252 E CB 0.105 29.826 29.700 0.034 0.000 0.745 252 E HN 0.648 nan 8.360 nan 0.000 0.477 253 D N -2.286 118.145 120.400 0.051 0.000 2.954 253 D HA 0.022 4.663 4.640 0.001 0.000 0.260 253 D C -1.978 174.358 176.300 0.060 0.000 1.072 253 D CA -0.444 53.592 54.000 0.060 0.000 0.735 253 D CB 1.116 41.951 40.800 0.058 0.000 1.934 253 D HN -0.133 nan 8.370 nan 0.000 0.458 254 V N 3.063 123.022 119.914 0.075 0.000 2.326 254 V HA 0.409 4.530 4.120 0.001 0.000 0.281 254 V C 0.189 176.335 176.094 0.087 0.000 1.015 254 V CA -0.584 61.765 62.300 0.081 0.000 0.823 254 V CB 1.130 33.013 31.823 0.100 0.000 1.009 254 V HN 0.441 nan 8.190 nan 0.000 0.436 255 E N 2.697 122.939 120.200 0.069 0.000 2.345 255 E HA 0.387 4.738 4.350 0.001 0.000 0.259 255 E C 1.442 178.079 176.600 0.061 0.000 1.117 255 E CA 0.148 56.586 56.400 0.062 0.000 0.913 255 E CB 1.082 30.811 29.700 0.048 0.000 1.057 255 E HN 0.672 nan 8.360 nan 0.000 0.432 256 G N 1.782 110.614 108.800 0.055 0.000 2.864 256 G HA2 -0.452 3.509 3.960 0.001 0.000 0.250 256 G HA3 -0.452 3.509 3.960 0.001 0.000 0.250 256 G C 1.294 176.218 174.900 0.040 0.000 1.154 256 G CA 1.451 46.578 45.100 0.046 0.000 0.755 256 G HN 0.673 nan 8.290 nan 0.000 0.697 257 E N 1.031 121.250 120.200 0.032 0.000 2.072 257 E HA -0.271 4.080 4.350 0.001 0.000 0.218 257 E C 2.970 179.590 176.600 0.033 0.000 1.051 257 E CA 2.173 58.589 56.400 0.026 0.000 0.880 257 E CB -0.922 28.792 29.700 0.023 0.000 0.783 257 E HN 0.431 nan 8.360 nan 0.000 0.473 258 A N 0.916 123.762 122.820 0.043 0.000 1.877 258 A HA -0.184 4.137 4.320 0.001 0.000 0.216 258 A C 2.363 179.992 177.584 0.076 0.000 1.186 258 A CA 1.757 53.826 52.037 0.053 0.000 0.620 258 A CB -0.841 18.191 19.000 0.054 0.000 0.822 258 A HN 0.354 nan 8.150 nan 0.000 0.443 259 L N -0.099 121.179 121.223 0.092 0.000 1.989 259 L HA -0.119 4.222 4.340 0.001 0.000 0.211 259 L C 2.737 179.660 176.870 0.089 0.000 1.071 259 L CA 2.380 57.302 54.840 0.136 0.000 0.749 259 L CB -0.921 41.224 42.059 0.144 0.000 0.890 259 L HN 0.368 nan 8.230 nan 0.000 0.431 260 A N -1.676 121.169 122.820 0.041 0.000 1.917 260 A HA -0.264 4.056 4.320 0.001 0.000 0.219 260 A C 2.265 179.835 177.584 -0.023 0.000 1.182 260 A CA 2.555 54.586 52.037 -0.010 0.000 0.633 260 A CB -1.299 17.695 19.000 -0.010 0.000 0.819 260 A HN 0.564 nan 8.150 nan 0.000 0.448 261 T N 0.455 115.014 114.554 0.009 0.000 2.737 261 T HA -0.074 4.277 4.350 0.001 0.000 0.265 261 T C 1.822 176.536 174.700 0.023 0.000 1.038 261 T CA 1.444 63.549 62.100 0.009 0.000 1.144 261 T CB -0.417 68.464 68.868 0.023 0.000 0.866 261 T HN 0.391 nan 8.240 nan 0.000 0.434 262 L N 0.889 122.156 121.223 0.074 0.000 2.042 262 L HA -0.112 4.228 4.340 0.001 0.000 0.210 262 L C 2.681 179.610 176.870 0.099 0.000 1.076 262 L CA 0.977 55.903 54.840 0.144 0.000 0.749 262 L CB -0.870 41.353 42.059 0.273 0.000 0.893 262 L HN 0.151 nan 8.230 nan 0.000 0.432 263 V N -0.760 119.132 119.914 -0.037 0.000 2.343 263 V HA -0.229 3.891 4.120 0.001 0.000 0.247 263 V C 2.383 178.344 176.094 -0.221 0.000 1.051 263 V CA 1.509 63.647 62.300 -0.269 0.000 1.036 263 V CB -0.283 31.316 31.823 -0.375 0.000 0.654 263 V HN 0.212 nan 8.190 nan 0.000 0.451 264 V N 0.465 120.289 119.914 -0.150 0.000 2.323 264 V HA -0.224 3.897 4.120 0.001 0.000 0.244 264 V C 2.071 178.123 176.094 -0.070 0.000 1.041 264 V CA 2.279 64.502 62.300 -0.128 0.000 1.025 264 V CB -0.952 30.815 31.823 -0.095 0.000 0.656 264 V HN 0.607 nan 8.190 nan 0.000 0.451 265 N N 0.715 119.398 118.700 -0.028 0.000 2.058 265 N HA -0.171 4.570 4.740 0.001 0.000 0.191 265 N C 1.885 177.403 175.510 0.014 0.000 1.037 265 N CA 1.880 54.931 53.050 0.001 0.000 0.848 265 N CB -0.297 38.204 38.487 0.024 0.000 1.021 265 N HN 0.634 nan 8.380 nan 0.000 0.422 266 T N -1.057 113.521 114.554 0.040 0.000 3.051 266 T HA -0.057 4.294 4.350 0.001 0.000 0.269 266 T C 1.634 176.349 174.700 0.024 0.000 1.127 266 T CA 0.630 62.770 62.100 0.066 0.000 1.107 266 T CB -0.054 68.909 68.868 0.159 0.000 0.898 266 T HN 0.053 nan 8.240 nan 0.000 0.517 267 M N 0.783 120.367 119.600 -0.027 0.000 2.447 267 M HA 0.287 4.768 4.480 0.001 0.000 0.264 267 M C 1.719 178.000 176.300 -0.032 0.000 1.095 267 M CA 0.959 56.226 55.300 -0.055 0.000 1.125 267 M CB -0.006 32.517 32.600 -0.128 0.000 1.389 267 M HN 0.063 nan 8.290 nan 0.000 0.459 268 R N -0.898 119.589 120.500 -0.021 0.000 2.552 268 R HA 0.385 4.725 4.340 0.001 0.000 0.314 268 R C 1.021 177.321 176.300 0.001 0.000 1.041 268 R CA 0.478 56.570 56.100 -0.013 0.000 1.076 268 R CB -0.092 30.198 30.300 -0.016 0.000 1.290 268 R HN 0.516 nan 8.270 nan 0.000 0.563 269 G N 1.679 110.485 108.800 0.010 0.000 2.228 269 G HA2 -0.312 3.649 3.960 0.001 0.000 0.270 269 G HA3 -0.312 3.649 3.960 0.001 0.000 0.270 269 G C 0.380 175.294 174.900 0.023 0.000 0.976 269 G CA 0.096 45.207 45.100 0.019 0.000 0.636 269 G HN 0.373 nan 8.290 nan 0.000 0.542 270 I N 1.777 122.359 120.570 0.021 0.000 2.455 270 I HA 0.330 4.500 4.170 0.001 0.000 0.303 270 I C 0.854 176.993 176.117 0.037 0.000 1.180 270 I CA -0.136 61.179 61.300 0.024 0.000 1.469 270 I CB -0.230 37.780 38.000 0.016 0.000 1.480 270 I HN 0.152 nan 8.210 nan 0.000 0.669 271 V N 4.284 124.223 119.914 0.042 0.000 3.565 271 V HA -0.236 3.885 4.120 0.001 0.000 0.508 271 V C -0.039 176.096 176.094 0.068 0.000 0.682 271 V CA 0.311 62.644 62.300 0.055 0.000 2.059 271 V CB -0.895 30.962 31.823 0.056 0.000 2.484 271 V HN 0.725 nan 8.190 nan 0.000 0.510 272 K N 4.200 124.642 120.400 0.070 0.000 2.267 272 K HA 0.722 5.043 4.320 0.001 0.000 0.282 272 K C -0.521 176.130 176.600 0.085 0.000 1.078 272 K CA -0.244 56.091 56.287 0.081 0.000 0.903 272 K CB 1.610 34.148 32.500 0.063 0.000 1.111 272 K HN 0.561 nan 8.250 nan 0.000 0.475 273 V N 1.509 121.491 119.914 0.112 0.000 2.760 273 V HA 0.810 4.931 4.120 0.001 0.000 0.309 273 V C -0.858 175.231 176.094 -0.008 0.000 1.077 273 V CA -1.115 61.226 62.300 0.068 0.000 0.910 273 V CB 2.033 33.907 31.823 0.084 0.000 1.008 273 V HN 0.760 nan 8.190 nan 0.000 0.424 274 A N 2.973 125.654 122.820 -0.232 0.000 2.386 274 A HA 1.016 5.337 4.320 0.001 0.000 0.311 274 A C -0.451 176.779 177.584 -0.590 0.000 1.068 274 A CA -0.273 51.312 52.037 -0.754 0.000 0.743 274 A CB 1.867 20.610 19.000 -0.428 0.000 1.258 274 A HN 1.552 nan 8.150 nan 0.000 0.429 275 A N 0.916 123.244 122.820 -0.821 0.000 2.365 275 A HA 0.842 5.162 4.320 0.001 0.000 0.318 275 A C -0.414 177.092 177.584 -0.130 0.000 1.091 275 A CA -0.120 51.745 52.037 -0.286 0.000 0.763 275 A CB 1.297 20.231 19.000 -0.111 0.000 1.248 275 A HN 2.307 nan 8.150 nan 0.000 0.442 276 V N -0.615 119.293 119.914 -0.011 0.000 2.971 276 V HA 0.615 4.736 4.120 0.001 0.000 0.309 276 V C -0.554 175.605 176.094 0.108 0.000 1.130 276 V CA -1.220 61.116 62.300 0.059 0.000 0.964 276 V CB 1.473 33.335 31.823 0.064 0.000 1.029 276 V HN 0.887 nan 8.190 nan 0.000 0.427 277 K N 1.990 122.461 120.400 0.118 0.000 2.276 277 K HA 0.661 4.981 4.320 0.001 0.000 0.259 277 K C 0.404 177.096 176.600 0.154 0.000 1.001 277 K CA 0.306 56.663 56.287 0.116 0.000 0.927 277 K CB 1.071 33.630 32.500 0.100 0.000 0.969 277 K HN 1.134 nan 8.250 nan 0.000 0.490 278 A N 3.329 126.196 122.820 0.079 0.000 2.371 278 A HA 0.272 4.592 4.320 0.001 0.000 0.257 278 A C -2.096 175.497 177.584 0.016 0.000 1.089 278 A CA -1.366 50.668 52.037 -0.005 0.000 0.794 278 A CB -0.242 18.735 19.000 -0.038 0.000 1.029 278 A HN 0.465 nan 8.150 nan 0.000 0.488 279 P HA 0.328 nan 4.420 nan 0.000 0.269 279 P C 0.734 178.057 177.300 0.038 0.000 1.209 279 P CA 1.520 64.626 63.100 0.009 0.000 0.776 279 P CB 0.506 32.113 31.700 -0.155 0.000 0.876 280 G N 2.160 111.035 108.800 0.125 0.000 2.697 280 G HA2 -0.043 3.917 3.960 0.001 0.000 0.240 280 G HA3 -0.043 3.917 3.960 0.001 0.000 0.240 280 G C -0.780 174.301 174.900 0.302 0.000 1.346 280 G CA 0.104 45.325 45.100 0.201 0.000 0.887 280 G HN 0.779 nan 8.290 nan 0.000 0.569 281 F N -2.833 117.127 119.950 0.016 0.000 2.741 281 F HA 0.798 5.325 4.527 0.001 0.000 0.313 281 F C 0.947 176.758 175.800 0.018 0.000 1.153 281 F CA 0.318 58.328 58.000 0.017 0.000 0.931 281 F CB 0.814 39.830 39.000 0.026 0.000 1.335 281 F HN 2.526 nan 8.300 nan 0.000 0.460 282 G N 1.335 110.050 108.800 -0.142 0.000 2.550 282 G HA2 -0.283 3.678 3.960 0.001 0.000 0.277 282 G HA3 -0.283 3.678 3.960 0.001 0.000 0.277 282 G C 0.303 175.090 174.900 -0.189 0.000 1.190 282 G CA 0.620 45.579 45.100 -0.235 0.000 0.971 282 G HN 0.898 nan 8.290 nan 0.000 0.559 283 D N 1.069 121.348 120.400 -0.202 0.000 2.077 283 D HA -0.109 4.532 4.640 0.001 0.000 0.196 283 D C 2.528 178.747 176.300 -0.135 0.000 0.986 283 D CA 1.761 55.681 54.000 -0.133 0.000 0.829 283 D CB -0.389 40.347 40.800 -0.108 0.000 0.983 283 D HN 0.734 nan 8.370 nan 0.000 0.453 284 R N 1.498 121.893 120.500 -0.175 0.000 2.185 284 R HA -0.162 4.179 4.340 0.001 0.000 0.247 284 R C 2.218 178.448 176.300 -0.117 0.000 1.159 284 R CA 1.323 57.337 56.100 -0.143 0.000 0.988 284 R CB -0.531 29.672 30.300 -0.163 0.000 0.871 284 R HN 0.119 nan 8.270 nan 0.000 0.458 285 R N 1.608 122.037 120.500 -0.120 0.000 2.094 285 R HA -0.168 4.173 4.340 0.001 0.000 0.239 285 R C 1.732 177.987 176.300 -0.074 0.000 1.137 285 R CA 2.256 58.312 56.100 -0.074 0.000 0.943 285 R CB -0.130 30.148 30.300 -0.037 0.000 0.850 285 R HN 0.339 nan 8.270 nan 0.000 0.433 286 K N -0.006 120.353 120.400 -0.068 0.000 2.057 286 K HA -0.103 4.218 4.320 0.001 0.000 0.207 286 K C 2.192 178.753 176.600 -0.065 0.000 1.049 286 K CA 1.474 57.726 56.287 -0.059 0.000 0.931 286 K CB -0.221 32.250 32.500 -0.049 0.000 0.714 286 K HN 0.274 nan 8.250 nan 0.000 0.440 287 A N 1.379 124.157 122.820 -0.070 0.000 1.902 287 A HA -0.162 4.159 4.320 0.001 0.000 0.217 287 A C 2.155 179.693 177.584 -0.076 0.000 1.181 287 A CA 1.584 53.580 52.037 -0.067 0.000 0.623 287 A CB -0.470 18.489 19.000 -0.069 0.000 0.818 287 A HN 0.193 nan 8.150 nan 0.000 0.443 288 M N -1.052 118.493 119.600 -0.091 0.000 2.200 288 M HA 0.012 4.492 4.480 0.001 0.000 0.265 288 M C 2.189 178.404 176.300 -0.142 0.000 1.066 288 M CA 1.084 56.316 55.300 -0.114 0.000 1.127 288 M CB -0.338 32.187 32.600 -0.125 0.000 1.379 288 M HN 0.435 nan 8.290 nan 0.000 0.420 289 L N 0.285 121.429 121.223 -0.132 0.000 2.187 289 L HA -0.256 4.085 4.340 0.001 0.000 0.213 289 L C 2.525 179.336 176.870 -0.099 0.000 1.100 289 L CA 1.320 56.080 54.840 -0.134 0.000 0.765 289 L CB -0.178 41.824 42.059 -0.095 0.000 0.904 289 L HN 0.339 nan 8.230 nan 0.000 0.437 290 Q N -0.080 119.673 119.800 -0.078 0.000 2.137 290 Q HA -0.187 4.154 4.340 0.001 0.000 0.198 290 Q C 1.705 177.672 176.000 -0.056 0.000 0.960 290 Q CA 1.635 57.404 55.803 -0.057 0.000 0.847 290 Q CB -0.079 28.631 28.738 -0.047 0.000 0.915 290 Q HN 0.430 nan 8.270 nan 0.000 0.448 291 D N 0.012 120.372 120.400 -0.067 0.000 2.149 291 D HA -0.161 4.480 4.640 0.001 0.000 0.198 291 D C 1.800 178.068 176.300 -0.054 0.000 0.990 291 D CA 1.316 55.282 54.000 -0.056 0.000 0.839 291 D CB -0.023 40.739 40.800 -0.063 0.000 0.948 291 D HN 0.393 nan 8.370 nan 0.000 0.460 292 I N 1.207 121.728 120.570 -0.081 0.000 2.252 292 I HA -0.214 3.957 4.170 0.001 0.000 0.245 292 I C 2.613 178.711 176.117 -0.032 0.000 1.102 292 I CA 0.740 62.000 61.300 -0.067 0.000 1.385 292 I CB -0.248 37.677 38.000 -0.126 0.000 1.064 292 I HN -0.091 nan 8.210 nan 0.000 0.414 293 A N 0.773 123.572 122.820 -0.036 0.000 1.858 293 A HA -0.215 4.105 4.320 0.001 0.000 0.216 293 A C 2.387 179.966 177.584 -0.008 0.000 1.190 293 A CA 2.558 54.585 52.037 -0.017 0.000 0.617 293 A CB -1.212 17.775 19.000 -0.021 0.000 0.827 293 A HN 0.368 nan 8.150 nan 0.000 0.443 294 T N 0.310 114.855 114.554 -0.015 0.000 2.803 294 T HA -0.119 4.232 4.350 0.001 0.000 0.269 294 T C 1.769 176.467 174.700 -0.003 0.000 1.052 294 T CA 1.307 63.402 62.100 -0.009 0.000 1.136 294 T CB -0.230 68.629 68.868 -0.014 0.000 0.864 294 T HN 0.288 nan 8.240 nan 0.000 0.467 295 L N 1.750 122.971 121.223 -0.003 0.000 2.095 295 L HA 0.010 4.351 4.340 0.001 0.000 0.204 295 L C 2.400 179.278 176.870 0.013 0.000 1.080 295 L CA 2.117 56.961 54.840 0.005 0.000 0.759 295 L CB -1.281 40.783 42.059 0.008 0.000 0.914 295 L HN 0.413 nan 8.230 nan 0.000 0.439 296 T N -3.815 110.749 114.554 0.017 0.000 3.107 296 T HA 0.220 4.571 4.350 0.001 0.000 0.249 296 T C 1.290 176.009 174.700 0.032 0.000 1.096 296 T CA 0.414 62.530 62.100 0.027 0.000 1.012 296 T CB -0.106 68.784 68.868 0.037 0.000 0.977 296 T HN 0.530 nan 8.240 nan 0.000 0.527 297 G N 0.586 109.400 108.800 0.023 0.000 2.221 297 G HA2 -0.014 3.946 3.960 0.001 0.000 0.265 297 G HA3 -0.014 3.946 3.960 0.001 0.000 0.265 297 G C 0.366 175.284 174.900 0.031 0.000 1.041 297 G CA -0.132 44.983 45.100 0.025 0.000 0.807 297 G HN 1.018 nan 8.290 nan 0.000 0.502 298 G N -1.693 107.122 108.800 0.026 0.000 2.642 298 G HA2 0.764 4.725 3.960 0.001 0.000 0.291 298 G HA3 0.764 4.725 3.960 0.001 0.000 0.291 298 G C -0.412 174.493 174.900 0.008 0.000 1.345 298 G CA 0.217 45.333 45.100 0.025 0.000 1.043 298 G HN 0.699 nan 8.290 nan 0.000 0.528 299 T N 0.104 114.660 114.554 0.003 0.000 2.881 299 T HA 0.393 4.744 4.350 0.001 0.000 0.291 299 T C -0.149 174.546 174.700 -0.009 0.000 0.990 299 T CA -0.291 61.806 62.100 -0.006 0.000 0.976 299 T CB 1.657 70.521 68.868 -0.008 0.000 0.970 299 T HN 0.361 nan 8.240 nan 0.000 0.438 300 V N 4.655 124.561 119.914 -0.014 0.000 2.585 300 V HA 0.190 4.311 4.120 0.001 0.000 0.296 300 V C 0.454 176.540 176.094 -0.014 0.000 1.035 300 V CA -0.016 62.274 62.300 -0.017 0.000 1.084 300 V CB 0.141 31.950 31.823 -0.023 0.000 0.953 300 V HN 0.779 nan 8.190 nan 0.000 0.483 301 I N 5.438 126.001 120.570 -0.012 0.000 2.316 301 I HA 0.227 4.398 4.170 0.001 0.000 0.286 301 I C 0.466 176.578 176.117 -0.009 0.000 1.107 301 I CA 0.108 61.402 61.300 -0.010 0.000 1.219 301 I CB 0.538 38.533 38.000 -0.009 0.000 1.455 301 I HN 0.723 nan 8.210 nan 0.000 0.498 302 S N 2.591 118.286 115.700 -0.010 0.000 2.525 302 S HA 0.372 4.842 4.470 0.001 0.000 0.290 302 S C 0.642 175.238 174.600 -0.006 0.000 1.152 302 S CA -0.811 57.384 58.200 -0.008 0.000 1.072 302 S CB 2.007 65.201 63.200 -0.011 0.000 1.027 302 S HN 0.531 nan 8.310 nan 0.000 0.500 303 E N 1.235 121.433 120.200 -0.003 0.000 2.347 303 E HA -0.111 4.240 4.350 0.001 0.000 0.196 303 E C 1.300 177.898 176.600 -0.003 0.000 1.008 303 E CA 0.690 57.089 56.400 -0.002 0.000 0.852 303 E CB -0.054 29.646 29.700 0.001 0.000 0.783 303 E HN 0.788 nan 8.360 nan 0.000 0.505 304 E N 0.580 120.777 120.200 -0.005 0.000 2.160 304 E HA -0.149 4.201 4.350 0.001 0.000 0.195 304 E C 1.363 177.960 176.600 -0.006 0.000 0.991 304 E CA 0.792 57.189 56.400 -0.006 0.000 0.810 304 E CB 0.015 29.710 29.700 -0.008 0.000 0.742 304 E HN 0.334 nan 8.360 nan 0.000 0.466 305 I N 0.180 120.746 120.570 -0.007 0.000 3.884 305 I HA 0.155 4.326 4.170 0.001 0.000 0.330 305 I C 0.742 176.855 176.117 -0.006 0.000 1.451 305 I CA -0.168 61.128 61.300 -0.007 0.000 1.165 305 I CB 0.138 38.133 38.000 -0.009 0.000 1.097 305 I HN 0.062 nan 8.210 nan 0.000 0.404 306 G N 2.174 110.971 108.800 -0.005 0.000 2.338 306 G HA2 -0.286 3.675 3.960 0.001 0.000 0.296 306 G HA3 -0.286 3.675 3.960 0.001 0.000 0.296 306 G C 0.032 174.929 174.900 -0.005 0.000 1.040 306 G CA 0.155 45.252 45.100 -0.004 0.000 1.004 306 G HN 0.380 nan 8.290 nan 0.000 0.509 307 M N -0.273 119.324 119.600 -0.006 0.000 2.363 307 M HA 0.504 4.985 4.480 0.001 0.000 0.343 307 M C 0.247 176.544 176.300 -0.006 0.000 1.165 307 M CA -0.350 54.946 55.300 -0.007 0.000 1.046 307 M CB 1.665 34.260 32.600 -0.008 0.000 1.648 307 M HN 0.242 nan 8.290 nan 0.000 0.452 308 E N 1.832 122.028 120.200 -0.007 0.000 2.227 308 E HA 0.325 4.676 4.350 0.001 0.000 0.268 308 E C 0.204 176.800 176.600 -0.008 0.000 0.907 308 E CA -0.524 55.873 56.400 -0.006 0.000 0.786 308 E CB 2.297 31.994 29.700 -0.005 0.000 1.191 308 E HN 0.664 nan 8.360 nan 0.000 0.411 309 L N 1.547 122.766 121.223 -0.006 0.000 2.201 309 L HA -0.166 4.175 4.340 0.001 0.000 0.212 309 L C 1.637 178.501 176.870 -0.011 0.000 1.105 309 L CA 1.064 55.900 54.840 -0.007 0.000 0.775 309 L CB -0.239 41.819 42.059 -0.002 0.000 0.913 309 L HN 0.533 nan 8.230 nan 0.000 0.440 310 E N 0.681 120.876 120.200 -0.009 0.000 2.110 310 E HA -0.149 4.202 4.350 0.001 0.000 0.193 310 E C 0.931 177.522 176.600 -0.015 0.000 0.988 310 E CA 1.078 57.471 56.400 -0.010 0.000 0.804 310 E CB -0.066 29.630 29.700 -0.007 0.000 0.745 310 E HN 0.313 nan 8.360 nan 0.000 0.458 311 K N 0.524 120.915 120.400 -0.015 0.000 3.165 311 K HA 0.435 4.756 4.320 0.001 0.000 0.259 311 K C -0.810 175.777 176.600 -0.022 0.000 1.282 311 K CA -0.207 56.069 56.287 -0.017 0.000 1.259 311 K CB 0.764 33.256 32.500 -0.014 0.000 1.546 311 K HN -0.023 nan 8.250 nan 0.000 0.384 312 A N 1.205 124.008 122.820 -0.029 0.000 2.335 312 A HA 0.408 4.729 4.320 0.001 0.000 0.304 312 A C 0.028 177.578 177.584 -0.056 0.000 1.118 312 A CA -0.692 51.322 52.037 -0.038 0.000 0.757 312 A CB 0.789 19.769 19.000 -0.034 0.000 1.188 312 A HN 0.301 nan 8.150 nan 0.000 0.460 313 T N -0.020 114.495 114.554 -0.065 0.000 2.936 313 T HA 0.522 4.873 4.350 0.001 0.000 0.282 313 T C 1.057 175.674 174.700 -0.139 0.000 1.003 313 T CA -0.763 61.283 62.100 -0.090 0.000 1.005 313 T CB 0.588 69.414 68.868 -0.070 0.000 1.097 313 T HN 0.388 nan 8.240 nan 0.000 0.532 314 L N 0.013 121.112 121.223 -0.207 0.000 2.551 314 L HA -0.042 4.298 4.340 0.001 0.000 0.230 314 L C 2.667 179.405 176.870 -0.219 0.000 1.163 314 L CA 1.295 55.918 54.840 -0.362 0.000 0.826 314 L CB -0.583 41.194 42.059 -0.471 0.000 0.943 314 L HN 0.861 nan 8.230 nan 0.000 0.452 315 E N 0.066 120.198 120.200 -0.112 0.000 2.230 315 E HA -0.155 4.196 4.350 0.001 0.000 0.192 315 E C 1.324 177.906 176.600 -0.030 0.000 0.987 315 E CA 0.575 56.946 56.400 -0.048 0.000 0.841 315 E CB 0.305 29.985 29.700 -0.032 0.000 0.783 315 E HN 0.471 nan 8.360 nan 0.000 0.481 316 D N 0.284 120.656 120.400 -0.046 0.000 2.194 316 D HA -0.053 4.588 4.640 0.001 0.000 0.204 316 D C 0.314 176.607 176.300 -0.012 0.000 0.964 316 D CA 0.289 54.273 54.000 -0.027 0.000 0.846 316 D CB 0.137 40.918 40.800 -0.032 0.000 0.962 316 D HN 0.130 nan 8.370 nan 0.000 0.490 317 L N 1.178 122.383 121.223 -0.030 0.000 2.485 317 L HA 0.198 4.539 4.340 0.001 0.000 0.275 317 L C 1.466 178.396 176.870 0.100 0.000 1.207 317 L CA 0.333 55.187 54.840 0.022 0.000 0.855 317 L CB 0.410 42.450 42.059 -0.030 0.000 1.114 317 L HN -0.143 nan 8.230 nan 0.000 0.485 318 G N 1.486 110.354 108.800 0.113 0.000 2.543 318 G HA2 0.541 4.501 3.960 0.001 0.000 0.290 318 G HA3 0.541 4.501 3.960 0.001 0.000 0.290 318 G C -1.007 173.991 174.900 0.162 0.000 1.310 318 G CA -0.238 44.928 45.100 0.109 0.000 1.025 318 G HN 0.586 nan 8.290 nan 0.000 0.502 319 Q N -1.983 117.874 119.800 0.094 0.000 2.479 319 Q HA 0.546 4.887 4.340 0.001 0.000 0.276 319 Q C -1.513 174.488 176.000 0.002 0.000 0.989 319 Q CA -0.744 55.083 55.803 0.040 0.000 0.864 319 Q CB 2.030 30.786 28.738 0.031 0.000 1.444 319 Q HN 1.049 nan 8.270 nan 0.000 0.388 320 A N 2.140 124.941 122.820 -0.032 0.000 2.572 320 A HA 0.441 4.761 4.320 0.001 0.000 0.295 320 A C -0.470 177.086 177.584 -0.048 0.000 1.072 320 A CA -0.609 51.413 52.037 -0.024 0.000 0.691 320 A CB 1.657 20.657 19.000 0.000 0.000 1.291 320 A HN 0.825 nan 8.150 nan 0.000 0.404 321 K N -0.382 119.997 120.400 -0.036 0.000 2.147 321 K HA -0.066 4.254 4.320 0.001 0.000 0.205 321 K C 0.773 177.350 176.600 -0.039 0.000 1.049 321 K CA 1.512 57.774 56.287 -0.042 0.000 0.936 321 K CB 0.096 32.579 32.500 -0.028 0.000 0.722 321 K HN 0.570 nan 8.250 nan 0.000 0.446 322 R N -0.288 120.196 120.500 -0.026 0.000 2.634 322 R HA 0.203 4.543 4.340 0.001 0.000 0.263 322 R C -2.048 174.245 176.300 -0.012 0.000 1.060 322 R CA -0.612 55.476 56.100 -0.021 0.000 0.898 322 R CB 1.807 32.097 30.300 -0.017 0.000 1.253 322 R HN -0.059 nan 8.270 nan 0.000 0.461 323 V N 0.301 120.209 119.914 -0.011 0.000 2.760 323 V HA 0.827 4.947 4.120 0.001 0.000 0.309 323 V C -1.286 174.800 176.094 -0.012 0.000 1.077 323 V CA -0.697 61.598 62.300 -0.008 0.000 0.910 323 V CB 2.029 33.852 31.823 0.001 0.000 1.008 323 V HN 0.440 nan 8.190 nan 0.000 0.424 324 V N 5.644 125.543 119.914 -0.024 0.000 2.656 324 V HA 0.661 4.782 4.120 0.001 0.000 0.307 324 V C -0.276 175.792 176.094 -0.044 0.000 1.051 324 V CA -0.431 61.858 62.300 -0.019 0.000 0.893 324 V CB 1.770 33.584 31.823 -0.016 0.000 0.999 324 V HN 1.064 nan 8.190 nan 0.000 0.426 325 I N 0.979 121.546 120.570 -0.005 0.000 2.499 325 I HA 0.676 4.847 4.170 0.001 0.000 0.288 325 I C -0.425 175.732 176.117 0.066 0.000 1.048 325 I CA -0.543 60.745 61.300 -0.020 0.000 1.062 325 I CB 1.987 39.985 38.000 -0.005 0.000 1.238 325 I HN 0.426 nan 8.210 nan 0.000 0.426 326 N N 4.827 123.497 118.700 -0.050 0.000 2.531 326 N HA 0.204 4.945 4.740 0.001 0.000 0.301 326 N C 0.718 175.998 175.510 -0.383 0.000 1.310 326 N CA -0.601 52.425 53.050 -0.041 0.000 0.949 326 N CB 0.638 39.079 38.487 -0.075 0.000 1.111 326 N HN 0.686 nan 8.380 nan 0.000 0.565 327 K N 0.121 120.303 120.400 -0.364 0.000 2.211 327 K HA -0.132 4.189 4.320 0.001 0.000 0.203 327 K C -0.566 175.708 176.600 -0.542 0.000 1.050 327 K CA 1.608 57.498 56.287 -0.663 0.000 0.945 327 K CB 0.001 32.399 32.500 -0.170 0.000 0.732 327 K HN 0.599 nan 8.250 nan 0.000 0.451 328 D N -1.069 119.133 120.400 -0.329 0.000 2.996 328 D HA 0.123 4.764 4.640 0.001 0.000 0.343 328 D C -1.066 175.115 176.300 -0.198 0.000 1.574 328 D CA -0.498 53.362 54.000 -0.234 0.000 0.773 328 D CB 0.846 41.556 40.800 -0.150 0.000 1.241 328 D HN -0.167 nan 8.370 nan 0.000 0.469 329 T N -0.288 114.122 114.554 -0.240 0.000 3.193 329 T HA 0.526 4.877 4.350 0.001 0.000 0.332 329 T C -1.164 173.338 174.700 -0.330 0.000 1.208 329 T CA -0.458 61.489 62.100 -0.255 0.000 1.080 329 T CB 2.084 70.848 68.868 -0.174 0.000 1.180 329 T HN -0.071 nan 8.240 nan 0.000 0.469 330 T N 2.297 116.514 114.554 -0.563 0.000 2.812 330 T HA 0.656 5.007 4.350 0.001 0.000 0.282 330 T C -0.533 173.850 174.700 -0.529 0.000 0.990 330 T CA -0.480 61.244 62.100 -0.627 0.000 0.960 330 T CB 1.624 69.867 68.868 -1.043 0.000 0.948 330 T HN 0.573 nan 8.240 nan 0.000 0.438 331 T N 3.937 118.348 114.554 -0.238 0.000 2.840 331 T HA 0.624 4.974 4.350 0.001 0.000 0.287 331 T C -0.639 174.045 174.700 -0.028 0.000 0.991 331 T CA -0.631 61.406 62.100 -0.105 0.000 0.964 331 T CB 0.140 68.965 68.868 -0.072 0.000 0.954 331 T HN 0.473 nan 8.240 nan 0.000 0.438 332 I N 6.581 127.173 120.570 0.038 0.000 2.312 332 I HA 0.419 4.590 4.170 0.001 0.000 0.290 332 I C -0.161 175.976 176.117 0.032 0.000 1.008 332 I CA -0.704 60.628 61.300 0.052 0.000 1.226 332 I CB 1.179 39.241 38.000 0.103 0.000 1.371 332 I HN 0.536 nan 8.210 nan 0.000 0.468 333 I N 5.797 126.376 120.570 0.014 0.000 2.321 333 I HA 0.222 4.392 4.170 0.001 0.000 0.291 333 I C -0.331 175.788 176.117 0.004 0.000 0.998 333 I CA -0.396 60.908 61.300 0.007 0.000 1.227 333 I CB 1.002 39.002 38.000 -0.001 0.000 1.368 333 I HN 0.607 nan 8.210 nan 0.000 0.466 334 D N 4.834 125.237 120.400 0.006 0.000 3.908 334 D HA -0.109 4.532 4.640 0.001 0.000 0.237 334 D C 0.026 176.327 176.300 0.002 0.000 1.091 334 D CA 0.943 54.945 54.000 0.002 0.000 1.147 334 D CB -0.113 40.684 40.800 -0.004 0.000 0.857 334 D HN 0.825 nan 8.370 nan 0.000 0.410 335 G N 1.214 110.019 108.800 0.008 0.000 2.425 335 G HA2 0.445 4.406 3.960 0.001 0.000 0.302 335 G HA3 0.445 4.406 3.960 0.001 0.000 0.302 335 G C 1.334 176.238 174.900 0.008 0.000 1.159 335 G CA -0.409 44.697 45.100 0.011 0.000 0.865 335 G HN 0.393 nan 8.290 nan 0.000 0.515 336 V N 1.962 121.882 119.914 0.010 0.000 2.626 336 V HA -0.007 4.114 4.120 0.001 0.000 0.252 336 V C 2.268 178.370 176.094 0.014 0.000 1.067 336 V CA 1.167 63.474 62.300 0.012 0.000 1.081 336 V CB -1.262 30.573 31.823 0.021 0.000 0.686 336 V HN 0.871 nan 8.190 nan 0.000 0.468 337 G N 0.956 109.765 108.800 0.015 0.000 2.341 337 G HA2 -0.063 3.897 3.960 0.001 0.000 0.231 337 G HA3 -0.063 3.897 3.960 0.001 0.000 0.231 337 G C -0.120 174.785 174.900 0.008 0.000 1.206 337 G CA -0.104 45.003 45.100 0.012 0.000 0.865 337 G HN 0.574 nan 8.290 nan 0.000 0.515 338 E N 1.569 121.774 120.200 0.007 0.000 2.259 338 E HA 0.089 4.440 4.350 0.001 0.000 0.281 338 E C 0.903 177.505 176.600 0.003 0.000 1.027 338 E CA -0.308 56.095 56.400 0.005 0.000 0.838 338 E CB 1.530 31.233 29.700 0.005 0.000 1.066 338 E HN 0.686 nan 8.360 nan 0.000 0.401 339 E N 1.911 122.113 120.200 0.002 0.000 2.233 339 E HA -0.307 4.044 4.350 0.001 0.000 0.199 339 E C 1.698 178.298 176.600 -0.000 0.000 1.004 339 E CA 1.181 57.582 56.400 0.001 0.000 0.819 339 E CB -0.092 29.609 29.700 0.001 0.000 0.738 339 E HN 0.594 nan 8.360 nan 0.000 0.478 340 A N 1.667 124.487 122.820 -0.000 0.000 1.845 340 A HA -0.096 4.225 4.320 0.001 0.000 0.215 340 A C 2.448 180.031 177.584 -0.002 0.000 1.195 340 A CA 1.720 53.757 52.037 -0.001 0.000 0.616 340 A CB -0.792 18.208 19.000 -0.000 0.000 0.832 340 A HN 0.306 nan 8.150 nan 0.000 0.443 341 A N -0.082 122.737 122.820 -0.002 0.000 1.858 341 A HA -0.096 4.224 4.320 0.001 0.000 0.216 341 A C 2.164 179.745 177.584 -0.005 0.000 1.190 341 A CA 1.612 53.647 52.037 -0.003 0.000 0.617 341 A CB -0.732 18.266 19.000 -0.002 0.000 0.827 341 A HN 0.507 nan 8.150 nan 0.000 0.443 342 I N -0.895 119.673 120.570 -0.003 0.000 2.099 342 I HA -0.310 3.861 4.170 0.001 0.000 0.239 342 I C 2.788 178.902 176.117 -0.006 0.000 1.066 342 I CA 2.007 63.304 61.300 -0.004 0.000 1.324 342 I CB -0.450 37.550 38.000 -0.002 0.000 1.037 342 I HN 0.389 nan 8.210 nan 0.000 0.401 343 Q N 1.344 121.142 119.800 -0.004 0.000 2.234 343 Q HA -0.135 4.205 4.340 0.001 0.000 0.206 343 Q C 1.961 177.957 176.000 -0.006 0.000 0.980 343 Q CA 1.970 57.770 55.803 -0.005 0.000 0.869 343 Q CB -0.632 28.103 28.738 -0.004 0.000 0.912 343 Q HN 0.519 nan 8.270 nan 0.000 0.436 344 G N -0.239 108.557 108.800 -0.007 0.000 2.394 344 G HA2 -0.268 3.693 3.960 0.001 0.000 0.215 344 G HA3 -0.268 3.693 3.960 0.001 0.000 0.215 344 G C 1.546 176.440 174.900 -0.010 0.000 1.165 344 G CA 0.647 45.743 45.100 -0.008 0.000 0.784 344 G HN 0.351 nan 8.290 nan 0.000 0.535 345 R N 0.433 120.927 120.500 -0.011 0.000 2.105 345 R HA -0.033 4.308 4.340 0.001 0.000 0.239 345 R C 2.518 178.809 176.300 -0.016 0.000 1.135 345 R CA 1.544 57.635 56.100 -0.015 0.000 0.967 345 R CB -0.871 29.419 30.300 -0.016 0.000 0.861 345 R HN 0.218 nan 8.270 nan 0.000 0.442 346 V N 0.774 120.680 119.914 -0.013 0.000 2.295 346 V HA -0.234 3.886 4.120 0.001 0.000 0.246 346 V C 2.394 178.480 176.094 -0.013 0.000 1.049 346 V CA 1.994 64.286 62.300 -0.013 0.000 1.024 346 V CB -1.089 30.728 31.823 -0.010 0.000 0.648 346 V HN 0.554 nan 8.190 nan 0.000 0.447 347 A N -0.724 122.089 122.820 -0.011 0.000 1.908 347 A HA -0.312 4.008 4.320 0.001 0.000 0.218 347 A C 2.177 179.754 177.584 -0.013 0.000 1.181 347 A CA 2.159 54.189 52.037 -0.011 0.000 0.627 347 A CB -0.505 18.490 19.000 -0.009 0.000 0.818 347 A HN 0.660 nan 8.150 nan 0.000 0.445 348 Q N -0.426 119.365 119.800 -0.014 0.000 1.975 348 Q HA -0.159 4.182 4.340 0.001 0.000 0.205 348 Q C 2.072 178.061 176.000 -0.019 0.000 0.990 348 Q CA 1.812 57.605 55.803 -0.016 0.000 0.845 348 Q CB -0.429 28.299 28.738 -0.018 0.000 0.913 348 Q HN 0.739 nan 8.270 nan 0.000 0.420 349 I N 0.375 120.932 120.570 -0.022 0.000 2.423 349 I HA -0.275 3.896 4.170 0.001 0.000 0.254 349 I C 2.522 178.625 176.117 -0.023 0.000 1.151 349 I CA 0.981 62.265 61.300 -0.026 0.000 1.421 349 I CB -0.292 37.690 38.000 -0.029 0.000 1.079 349 I HN 0.158 nan 8.210 nan 0.000 0.431 350 R N 0.831 121.320 120.500 -0.019 0.000 2.115 350 R HA -0.148 4.192 4.340 0.001 0.000 0.230 350 R C 2.264 178.555 176.300 -0.015 0.000 1.111 350 R CA 1.253 57.343 56.100 -0.016 0.000 0.976 350 R CB 0.003 30.295 30.300 -0.013 0.000 0.870 350 R HN 0.422 nan 8.270 nan 0.000 0.445 351 Q N -0.659 119.132 119.800 -0.015 0.000 2.187 351 Q HA -0.095 4.245 4.340 0.001 0.000 0.199 351 Q C 1.959 177.950 176.000 -0.015 0.000 0.957 351 Q CA 0.736 56.531 55.803 -0.013 0.000 0.857 351 Q CB 0.234 28.965 28.738 -0.012 0.000 0.929 351 Q HN 0.391 nan 8.270 nan 0.000 0.453 352 Q N 0.582 120.370 119.800 -0.019 0.000 2.112 352 Q HA -0.191 4.150 4.340 0.001 0.000 0.206 352 Q C 2.083 178.070 176.000 -0.022 0.000 0.987 352 Q CA 1.257 57.047 55.803 -0.022 0.000 0.858 352 Q CB -0.300 28.421 28.738 -0.029 0.000 0.905 352 Q HN 0.495 nan 8.270 nan 0.000 0.420 353 I N 1.034 121.590 120.570 -0.022 0.000 2.394 353 I HA -0.225 3.946 4.170 0.001 0.000 0.251 353 I C 2.162 178.271 176.117 -0.014 0.000 1.136 353 I CA 0.852 62.139 61.300 -0.021 0.000 1.425 353 I CB -0.277 37.710 38.000 -0.020 0.000 1.079 353 I HN 0.136 nan 8.210 nan 0.000 0.425 354 E N 1.289 121.482 120.200 -0.012 0.000 2.047 354 E HA -0.195 4.156 4.350 0.001 0.000 0.191 354 E C 1.731 178.327 176.600 -0.007 0.000 0.987 354 E CA 1.216 57.611 56.400 -0.008 0.000 0.799 354 E CB -0.342 29.353 29.700 -0.008 0.000 0.752 354 E HN 0.604 nan 8.360 nan 0.000 0.449 355 E N 1.004 121.199 120.200 -0.008 0.000 2.511 355 E HA 0.148 4.499 4.350 0.001 0.000 0.196 355 E C 0.245 176.842 176.600 -0.006 0.000 1.066 355 E CA -0.050 56.346 56.400 -0.007 0.000 0.871 355 E CB 0.144 29.839 29.700 -0.008 0.000 0.863 355 E HN 0.071 nan 8.360 nan 0.000 0.520 356 A N 1.702 124.518 122.820 -0.007 0.000 2.522 356 A HA 0.066 4.387 4.320 0.001 0.000 0.256 356 A C 1.252 178.838 177.584 0.003 0.000 1.086 356 A CA 0.151 52.186 52.037 -0.004 0.000 0.763 356 A CB -0.057 18.938 19.000 -0.009 0.000 1.024 356 A HN 0.232 nan 8.150 nan 0.000 0.502 357 T N -0.610 113.949 114.554 0.009 0.000 3.069 357 T HA 0.348 4.699 4.350 0.001 0.000 0.252 357 T C 0.528 175.241 174.700 0.022 0.000 1.053 357 T CA 0.477 62.585 62.100 0.013 0.000 0.964 357 T CB -0.099 68.776 68.868 0.011 0.000 1.005 357 T HN 0.767 nan 8.240 nan 0.000 0.532 358 S N -0.233 115.485 115.700 0.031 0.000 2.541 358 S HA 0.368 4.838 4.470 0.001 0.000 0.280 358 S C 0.051 174.686 174.600 0.059 0.000 1.112 358 S CA -0.651 57.581 58.200 0.053 0.000 0.925 358 S CB 1.619 64.867 63.200 0.081 0.000 1.067 358 S HN 0.098 nan 8.310 nan 0.000 0.479 359 D N 2.140 122.581 120.400 0.069 0.000 2.117 359 D HA -0.120 4.520 4.640 0.001 0.000 0.197 359 D C 1.328 177.681 176.300 0.090 0.000 0.987 359 D CA 1.480 55.519 54.000 0.065 0.000 0.829 359 D CB -0.248 40.592 40.800 0.067 0.000 0.961 359 D HN 0.714 nan 8.370 nan 0.000 0.460 360 Y N 2.230 122.532 120.300 0.003 0.000 2.081 360 Y HA -0.248 4.302 4.550 0.001 0.000 0.280 360 Y C 1.627 177.527 175.900 -0.001 0.000 1.163 360 Y CA 1.998 60.101 58.100 0.005 0.000 1.135 360 Y CB -0.451 38.014 38.460 0.008 0.000 0.970 360 Y HN -0.111 nan 8.280 nan 0.000 0.498 361 D N -0.750 119.643 120.400 -0.012 0.000 2.178 361 D HA -0.144 4.497 4.640 0.001 0.000 0.201 361 D C 2.252 178.485 176.300 -0.112 0.000 0.980 361 D CA 1.351 55.289 54.000 -0.103 0.000 0.842 361 D CB -0.252 40.544 40.800 -0.006 0.000 0.948 361 D HN 0.295 nan 8.370 nan 0.000 0.472 362 R N 0.561 121.025 120.500 -0.060 0.000 2.066 362 R HA -0.116 4.224 4.340 0.001 0.000 0.232 362 R C 1.741 177.998 176.300 -0.072 0.000 1.131 362 R CA 1.044 57.114 56.100 -0.048 0.000 0.955 362 R CB 0.140 30.430 30.300 -0.016 0.000 0.851 362 R HN 0.085 nan 8.270 nan 0.000 0.432 363 E N 0.896 121.042 120.200 -0.089 0.000 2.031 363 E HA -0.195 4.155 4.350 0.001 0.000 0.193 363 E C 1.887 178.405 176.600 -0.136 0.000 0.994 363 E CA 1.057 57.401 56.400 -0.092 0.000 0.800 363 E CB -0.169 29.483 29.700 -0.079 0.000 0.752 363 E HN 0.201 nan 8.360 nan 0.000 0.447 364 K N 0.816 121.069 120.400 -0.244 0.000 2.103 364 K HA -0.084 4.237 4.320 0.001 0.000 0.207 364 K C 2.418 178.933 176.600 -0.142 0.000 1.048 364 K CA 0.702 56.847 56.287 -0.237 0.000 0.930 364 K CB -0.572 31.704 32.500 -0.373 0.000 0.716 364 K HN 0.199 nan 8.250 nan 0.000 0.444 365 L N 0.921 122.071 121.223 -0.121 0.000 2.027 365 L HA -0.185 4.155 4.340 0.001 0.000 0.206 365 L C 2.577 179.412 176.870 -0.059 0.000 1.074 365 L CA 1.188 55.980 54.840 -0.080 0.000 0.745 365 L CB -0.441 41.579 42.059 -0.066 0.000 0.898 365 L HN 0.226 nan 8.230 nan 0.000 0.433 366 Q N -0.106 119.661 119.800 -0.055 0.000 2.181 366 Q HA -0.239 4.102 4.340 0.001 0.000 0.205 366 Q C 2.024 178.004 176.000 -0.033 0.000 0.980 366 Q CA 1.425 57.206 55.803 -0.037 0.000 0.862 366 Q CB -0.139 28.580 28.738 -0.031 0.000 0.905 366 Q HN 0.553 nan 8.270 nan 0.000 0.429 367 E N 0.529 120.704 120.200 -0.043 0.000 2.077 367 E HA -0.164 4.187 4.350 0.001 0.000 0.193 367 E C 2.080 178.666 176.600 -0.024 0.000 0.989 367 E CA 0.721 57.102 56.400 -0.031 0.000 0.800 367 E CB 0.023 29.700 29.700 -0.039 0.000 0.746 367 E HN 0.279 nan 8.360 nan 0.000 0.452 368 R N 0.439 120.918 120.500 -0.036 0.000 2.066 368 R HA -0.109 4.232 4.340 0.001 0.000 0.232 368 R C 2.734 179.020 176.300 -0.023 0.000 1.131 368 R CA 1.517 57.598 56.100 -0.032 0.000 0.955 368 R CB -0.602 29.671 30.300 -0.046 0.000 0.851 368 R HN 0.198 nan 8.270 nan 0.000 0.432 369 V N -1.173 118.726 119.914 -0.024 0.000 2.343 369 V HA -0.137 3.984 4.120 0.001 0.000 0.247 369 V C 2.355 178.443 176.094 -0.011 0.000 1.051 369 V CA 1.808 64.097 62.300 -0.018 0.000 1.036 369 V CB -1.086 30.726 31.823 -0.018 0.000 0.654 369 V HN 0.244 nan 8.190 nan 0.000 0.451 370 A N 0.471 123.285 122.820 -0.010 0.000 1.902 370 A HA -0.189 4.132 4.320 0.001 0.000 0.217 370 A C 2.366 179.951 177.584 0.002 0.000 1.181 370 A CA 2.248 54.283 52.037 -0.004 0.000 0.623 370 A CB -0.602 18.395 19.000 -0.004 0.000 0.818 370 A HN 0.612 nan 8.150 nan 0.000 0.443 371 K N -1.212 119.191 120.400 0.005 0.000 2.025 371 K HA -0.060 4.260 4.320 0.001 0.000 0.207 371 K C 1.866 178.474 176.600 0.014 0.000 1.049 371 K CA 1.331 57.628 56.287 0.016 0.000 0.933 371 K CB -0.268 32.247 32.500 0.024 0.000 0.714 371 K HN 0.358 nan 8.250 nan 0.000 0.438 372 L N 0.153 121.378 121.223 0.003 0.000 2.240 372 L HA 0.016 4.357 4.340 0.001 0.000 0.211 372 L C 1.692 178.563 176.870 0.001 0.000 1.106 372 L CA 1.345 56.185 54.840 0.001 0.000 0.793 372 L CB -0.142 41.912 42.059 -0.009 0.000 0.927 372 L HN 0.059 nan 8.230 nan 0.000 0.446 373 A N -1.693 121.126 122.820 -0.001 0.000 2.348 373 A HA 0.386 4.707 4.320 0.001 0.000 0.224 373 A C 2.037 179.622 177.584 0.001 0.000 1.227 373 A CA 0.450 52.487 52.037 -0.001 0.000 0.885 373 A CB -0.696 18.302 19.000 -0.004 0.000 0.933 373 A HN 0.404 nan 8.150 nan 0.000 0.506 374 G N -0.156 108.693 108.800 0.080 0.000 2.403 374 G HA2 0.367 4.328 3.960 0.001 0.000 0.216 374 G HA3 0.367 4.328 3.960 0.001 0.000 0.216 374 G C 1.149 176.072 174.900 0.038 0.000 1.154 374 G CA 0.681 45.814 45.100 0.055 0.000 0.784 374 G HN 1.630 nan 8.290 nan 0.000 0.538 375 G N -1.659 107.169 108.800 0.047 0.000 2.632 375 G HA2 0.029 3.990 3.960 0.001 0.000 0.224 375 G HA3 0.029 3.990 3.960 0.001 0.000 0.224 375 G C -0.721 174.182 174.900 0.004 0.000 1.341 375 G CA -0.224 44.891 45.100 0.025 0.000 0.880 375 G HN 1.106 nan 8.290 nan 0.000 0.566 376 V N 0.385 120.297 119.914 -0.002 0.000 2.567 376 V HA 0.682 4.803 4.120 0.001 0.000 0.298 376 V C 0.628 176.717 176.094 -0.008 0.000 1.047 376 V CA -0.049 62.244 62.300 -0.012 0.000 0.880 376 V CB 1.198 33.010 31.823 -0.019 0.000 1.009 376 V HN 2.171 nan 8.190 nan 0.000 0.429 377 A N 4.850 127.665 122.820 -0.008 0.000 2.409 377 A HA 0.696 5.016 4.320 0.001 0.000 0.267 377 A C -0.333 177.248 177.584 -0.006 0.000 1.127 377 A CA -0.158 51.875 52.037 -0.006 0.000 0.795 377 A CB 0.562 19.559 19.000 -0.006 0.000 1.061 377 A HN 0.771 nan 8.150 nan 0.000 0.502 378 V N 4.744 124.656 119.914 -0.004 0.000 2.384 378 V HA 0.317 4.437 4.120 0.001 0.000 0.287 378 V C -0.107 175.986 176.094 -0.002 0.000 1.020 378 V CA -0.203 62.095 62.300 -0.003 0.000 0.850 378 V CB 1.352 33.173 31.823 -0.003 0.000 0.987 378 V HN 0.741 nan 8.190 nan 0.000 0.436 379 I N 5.212 125.781 120.570 -0.001 0.000 2.312 379 I HA 0.380 4.551 4.170 0.001 0.000 0.290 379 I C 0.114 176.231 176.117 0.001 0.000 1.008 379 I CA -0.432 60.868 61.300 -0.000 0.000 1.226 379 I CB 1.092 39.093 38.000 0.001 0.000 1.371 379 I HN 0.505 nan 8.210 nan 0.000 0.468 380 K N 6.060 126.460 120.400 0.000 0.000 2.281 380 K HA 0.414 4.735 4.320 0.001 0.000 0.272 380 K C -0.613 175.987 176.600 0.000 0.000 1.048 380 K CA -0.636 55.651 56.287 0.000 0.000 0.898 380 K CB 1.775 34.275 32.500 -0.000 0.000 1.128 380 K HN 0.319 nan 8.250 nan 0.000 0.460 381 V N 2.847 122.762 119.914 0.001 0.000 2.763 381 V HA 0.001 4.122 4.120 0.001 0.000 0.306 381 V C 1.452 177.546 176.094 -0.000 0.000 1.059 381 V CA -0.054 62.246 62.300 0.001 0.000 1.138 381 V CB 0.710 32.534 31.823 0.001 0.000 0.940 381 V HN 0.950 nan 8.190 nan 0.000 0.489 382 G N 2.398 111.198 108.800 -0.000 0.000 2.518 382 G HA2 0.434 4.395 3.960 0.001 0.000 0.284 382 G HA3 0.434 4.395 3.960 0.001 0.000 0.284 382 G C 0.346 175.246 174.900 -0.001 0.000 1.362 382 G CA 0.466 45.565 45.100 -0.001 0.000 1.065 382 G HN 1.218 nan 8.290 nan 0.000 0.561 383 A N -2.453 120.367 122.820 -0.001 0.000 2.363 383 A HA 0.838 5.159 4.320 0.001 0.000 0.180 383 A C 0.766 178.350 177.584 -0.001 0.000 1.219 383 A CA 1.011 53.047 52.037 -0.001 0.000 1.864 383 A CB -0.490 18.510 19.000 -0.001 0.000 2.313 383 A HN 2.605 nan 8.150 nan 0.000 0.894 384 A N -0.399 122.420 122.820 -0.001 0.000 2.611 384 A HA 0.508 4.829 4.320 0.001 0.000 0.281 384 A C 1.006 178.590 177.584 -0.001 0.000 1.396 384 A CA 1.300 53.337 52.037 -0.001 0.000 0.724 384 A CB -2.601 16.398 19.000 -0.001 0.000 1.126 384 A HN 3.432 nan 8.150 nan 0.000 0.384 385 T N -2.619 111.934 114.554 -0.001 0.000 0.545 385 T HA -0.066 4.284 4.350 0.001 0.000 0.773 385 T C 0.257 174.956 174.700 -0.001 0.000 0.992 385 T CA 1.317 63.417 62.100 -0.001 0.000 4.074 385 T CB -1.121 67.746 68.868 -0.001 0.000 2.301 385 T HN 1.890 nan 8.240 nan 0.000 0.398 386 E N 1.253 121.452 120.200 -0.001 0.000 2.160 386 E HA -0.138 4.213 4.350 0.001 0.000 0.195 386 E C 1.981 178.581 176.600 -0.000 0.000 0.991 386 E CA 2.088 58.488 56.400 -0.001 0.000 0.810 386 E CB -0.105 29.594 29.700 -0.001 0.000 0.742 386 E HN 0.658 nan 8.360 nan 0.000 0.466 387 V N 1.301 121.214 119.914 -0.000 0.000 2.244 387 V HA -0.255 3.866 4.120 0.001 0.000 0.244 387 V C 2.152 178.246 176.094 -0.001 0.000 1.042 387 V CA 2.253 64.553 62.300 0.000 0.000 1.006 387 V CB -0.656 31.167 31.823 0.000 0.000 0.641 387 V HN 0.287 nan 8.190 nan 0.000 0.446 388 E N -0.285 119.915 120.200 -0.001 0.000 2.118 388 E HA -0.255 4.096 4.350 0.001 0.000 0.195 388 E C 2.188 178.787 176.600 -0.001 0.000 0.992 388 E CA 1.450 57.849 56.400 -0.001 0.000 0.804 388 E CB -0.266 29.433 29.700 -0.001 0.000 0.741 388 E HN 0.427 nan 8.360 nan 0.000 0.458 389 M N 1.120 120.720 119.600 -0.001 0.000 2.117 389 M HA -0.159 4.322 4.480 0.001 0.000 0.262 389 M C 1.622 177.921 176.300 -0.000 0.000 1.065 389 M CA 1.538 56.837 55.300 -0.001 0.000 1.114 389 M CB -0.141 32.459 32.600 -0.001 0.000 1.361 389 M HN -0.120 nan 8.290 nan 0.000 0.408 390 K N 0.220 120.620 120.400 -0.000 0.000 2.211 390 K HA -0.142 4.178 4.320 0.001 0.000 0.203 390 K C 1.855 178.454 176.600 -0.001 0.000 1.050 390 K CA 1.143 57.430 56.287 -0.000 0.000 0.945 390 K CB -0.454 32.047 32.500 0.000 0.000 0.732 390 K HN 0.592 nan 8.250 nan 0.000 0.451 391 E N 1.469 121.668 120.200 -0.001 0.000 2.016 391 E HA -0.166 4.185 4.350 0.001 0.000 0.190 391 E C 2.046 178.644 176.600 -0.002 0.000 0.985 391 E CA 0.965 57.364 56.400 -0.002 0.000 0.802 391 E CB 0.075 29.774 29.700 -0.002 0.000 0.762 391 E HN 0.125 nan 8.360 nan 0.000 0.448 392 K N 1.016 121.415 120.400 -0.001 0.000 2.152 392 K HA -0.221 4.100 4.320 0.001 0.000 0.206 392 K C 2.234 178.834 176.600 0.001 0.000 1.048 392 K CA 1.532 57.818 56.287 -0.001 0.000 0.933 392 K CB -0.061 32.439 32.500 -0.001 0.000 0.721 392 K HN -0.038 nan 8.250 nan 0.000 0.447 393 K N 0.056 120.457 120.400 0.001 0.000 2.057 393 K HA -0.135 4.186 4.320 0.001 0.000 0.207 393 K C 1.943 178.545 176.600 0.003 0.000 1.049 393 K CA 1.205 57.494 56.287 0.002 0.000 0.931 393 K CB -0.163 32.339 32.500 0.002 0.000 0.714 393 K HN 0.223 nan 8.250 nan 0.000 0.440 394 A N 1.535 124.355 122.820 0.001 0.000 1.877 394 A HA -0.167 4.154 4.320 0.001 0.000 0.216 394 A C 2.099 179.683 177.584 -0.000 0.000 1.186 394 A CA 1.467 53.504 52.037 -0.001 0.000 0.620 394 A CB -0.498 18.499 19.000 -0.005 0.000 0.822 394 A HN 0.320 nan 8.150 nan 0.000 0.443 395 R N -0.683 119.817 120.500 -0.000 0.000 2.083 395 R HA -0.106 4.234 4.340 0.001 0.000 0.237 395 R C 2.047 178.352 176.300 0.007 0.000 1.137 395 R CA 1.559 57.660 56.100 0.001 0.000 0.951 395 R CB -0.670 29.629 30.300 -0.001 0.000 0.851 395 R HN 0.403 nan 8.270 nan 0.000 0.434 396 V N 1.343 121.262 119.914 0.008 0.000 2.407 396 V HA -0.239 3.881 4.120 0.001 0.000 0.248 396 V C 2.034 178.140 176.094 0.020 0.000 1.055 396 V CA 1.813 64.120 62.300 0.011 0.000 1.049 396 V CB -0.466 31.362 31.823 0.008 0.000 0.662 396 V HN 0.363 nan 8.190 nan 0.000 0.455 397 E N -0.110 120.102 120.200 0.021 0.000 2.051 397 E HA -0.223 4.128 4.350 0.001 0.000 0.192 397 E C 2.026 178.659 176.600 0.055 0.000 0.991 397 E CA 1.527 57.947 56.400 0.034 0.000 0.799 397 E CB -0.170 29.544 29.700 0.023 0.000 0.748 397 E HN 0.626 nan 8.360 nan 0.000 0.449 398 D N 0.352 120.772 120.400 0.032 0.000 2.097 398 D HA -0.113 4.528 4.640 0.001 0.000 0.197 398 D C 1.958 178.295 176.300 0.063 0.000 0.984 398 D CA 1.195 55.214 54.000 0.033 0.000 0.826 398 D CB -0.240 40.557 40.800 -0.005 0.000 0.973 398 D HN 0.133 nan 8.370 nan 0.000 0.460 399 A N 1.116 123.960 122.820 0.040 0.000 1.908 399 A HA -0.177 4.144 4.320 0.001 0.000 0.218 399 A C 2.181 179.792 177.584 0.046 0.000 1.181 399 A CA 1.113 53.172 52.037 0.036 0.000 0.627 399 A CB -0.708 18.303 19.000 0.019 0.000 0.818 399 A HN 0.225 nan 8.150 nan 0.000 0.445 400 L N -0.840 120.412 121.223 0.049 0.000 2.017 400 L HA -0.178 4.163 4.340 0.001 0.000 0.208 400 L C 2.408 179.307 176.870 0.048 0.000 1.073 400 L CA 2.670 57.532 54.840 0.037 0.000 0.745 400 L CB -0.900 41.177 42.059 0.030 0.000 0.894 400 L HN 0.621 nan 8.230 nan 0.000 0.432 401 H N -0.212 118.855 119.070 -0.004 0.000 2.352 401 H HA -0.152 4.405 4.556 0.001 0.000 0.299 401 H C 1.906 177.233 175.328 -0.002 0.000 1.097 401 H CA 1.860 57.905 56.048 -0.004 0.000 1.311 401 H CB 0.090 29.849 29.762 -0.004 0.000 1.377 401 H HN 0.478 nan 8.280 nan 0.000 0.504 402 A N -0.241 122.697 122.820 0.197 0.000 1.898 402 A HA -0.114 4.206 4.320 0.001 0.000 0.216 402 A C 2.676 180.289 177.584 0.048 0.000 1.181 402 A CA 1.894 54.009 52.037 0.130 0.000 0.620 402 A CB -0.904 18.149 19.000 0.089 0.000 0.819 402 A HN 0.512 nan 8.150 nan 0.000 0.442 403 T N -0.596 113.974 114.554 0.028 0.000 2.867 403 T HA -0.109 4.242 4.350 0.001 0.000 0.268 403 T C 2.135 176.826 174.700 -0.015 0.000 1.057 403 T CA 1.223 63.326 62.100 0.006 0.000 1.136 403 T CB -0.220 68.651 68.868 0.005 0.000 0.874 403 T HN 0.295 nan 8.240 nan 0.000 0.466 404 R N 1.503 121.978 120.500 -0.042 0.000 2.081 404 R HA 0.103 4.444 4.340 0.001 0.000 0.235 404 R C 2.567 178.825 176.300 -0.071 0.000 1.131 404 R CA 1.710 57.766 56.100 -0.074 0.000 0.960 404 R CB -1.032 29.186 30.300 -0.137 0.000 0.856 404 R HN 0.415 nan 8.270 nan 0.000 0.436 405 A N 0.516 123.292 122.820 -0.074 0.000 1.902 405 A HA -0.080 4.241 4.320 0.001 0.000 0.217 405 A C 2.378 179.956 177.584 -0.010 0.000 1.181 405 A CA 1.933 53.947 52.037 -0.038 0.000 0.623 405 A CB -0.751 18.251 19.000 0.002 0.000 0.818 405 A HN 0.423 nan 8.150 nan 0.000 0.443 406 A N -0.579 122.241 122.820 -0.001 0.000 1.908 406 A HA -0.037 4.284 4.320 0.001 0.000 0.218 406 A C 2.216 179.799 177.584 -0.001 0.000 1.181 406 A CA 1.862 53.901 52.037 0.004 0.000 0.627 406 A CB -0.934 18.070 19.000 0.008 0.000 0.818 406 A HN 0.413 nan 8.150 nan 0.000 0.445 407 V N 0.020 119.929 119.914 -0.008 0.000 2.407 407 V HA -0.257 3.864 4.120 0.001 0.000 0.248 407 V C 2.390 178.479 176.094 -0.008 0.000 1.055 407 V CA 2.239 64.534 62.300 -0.008 0.000 1.049 407 V CB -0.793 31.023 31.823 -0.013 0.000 0.662 407 V HN 0.642 nan 8.190 nan 0.000 0.455 408 E N -0.064 120.129 120.200 -0.013 0.000 2.047 408 E HA -0.105 4.246 4.350 0.001 0.000 0.191 408 E C 0.595 177.194 176.600 -0.003 0.000 0.987 408 E CA 0.854 57.248 56.400 -0.010 0.000 0.799 408 E CB 0.094 29.784 29.700 -0.017 0.000 0.752 408 E HN 0.654 nan 8.360 nan 0.000 0.449 409 E N -0.164 120.036 120.200 0.000 0.000 2.224 409 E HA 0.330 4.681 4.350 0.001 0.000 0.265 409 E C -0.128 176.476 176.600 0.006 0.000 0.878 409 E CA -0.638 55.764 56.400 0.004 0.000 0.759 409 E CB 1.924 31.628 29.700 0.006 0.000 1.164 409 E HN 0.153 nan 8.360 nan 0.000 0.414 410 G N 1.402 110.206 108.800 0.007 0.000 2.587 410 G HA2 0.059 4.020 3.960 0.001 0.000 0.666 410 G HA3 0.059 4.020 3.960 0.001 0.000 0.666 410 G C 0.136 175.042 174.900 0.010 0.000 1.239 410 G CA 0.405 45.510 45.100 0.008 0.000 1.353 410 G HN 0.436 nan 8.290 nan 0.000 0.780 411 V N -3.251 116.669 119.914 0.011 0.000 3.040 411 V HA 0.861 4.981 4.120 0.001 0.000 0.312 411 V C 0.049 176.151 176.094 0.013 0.000 1.115 411 V CA -0.294 62.013 62.300 0.012 0.000 0.998 411 V CB 1.331 33.160 31.823 0.011 0.000 1.042 411 V HN 1.473 nan 8.190 nan 0.000 0.433 412 V N -0.931 118.991 119.914 0.015 0.000 3.130 412 V HA 1.010 5.130 4.120 0.001 0.000 0.310 412 V C 0.483 176.587 176.094 0.017 0.000 1.158 412 V CA -0.717 61.593 62.300 0.017 0.000 1.029 412 V CB 1.255 33.088 31.823 0.018 0.000 1.057 412 V HN 2.089 nan 8.190 nan 0.000 0.436 413 A N 1.014 123.846 122.820 0.020 0.000 2.546 413 A HA 0.602 4.922 4.320 0.001 0.000 0.243 413 A C 0.912 178.504 177.584 0.014 0.000 1.063 413 A CA 0.748 52.796 52.037 0.018 0.000 0.757 413 A CB -0.549 18.466 19.000 0.026 0.000 0.991 413 A HN 1.962 nan 8.150 nan 0.000 0.503 414 G N 0.646 109.449 108.800 0.006 0.000 2.531 414 G HA2 0.518 4.479 3.960 0.001 0.000 0.253 414 G HA3 0.518 4.479 3.960 0.001 0.000 0.253 414 G C 1.162 176.064 174.900 0.003 0.000 1.439 414 G CA -0.054 45.048 45.100 0.004 0.000 1.056 414 G HN 2.256 nan 8.290 nan 0.000 0.555 415 G N -1.996 106.804 108.800 0.001 0.000 2.203 415 G HA2 0.198 4.159 3.960 0.001 0.000 0.263 415 G HA3 0.198 4.159 3.960 0.001 0.000 0.263 415 G C 1.533 176.445 174.900 0.020 0.000 1.012 415 G CA 1.264 46.367 45.100 0.006 0.000 0.749 415 G HN 2.466 nan 8.290 nan 0.000 0.512 416 G N -2.395 106.416 108.800 0.019 0.000 2.189 416 G HA2 -0.131 3.829 3.960 0.001 0.000 0.267 416 G HA3 -0.131 3.829 3.960 0.001 0.000 0.267 416 G C 1.904 176.820 174.900 0.027 0.000 0.975 416 G CA 1.931 47.045 45.100 0.022 0.000 0.644 416 G HN 2.206 nan 8.290 nan 0.000 0.537 417 V N -0.867 119.063 119.914 0.028 0.000 2.548 417 V HA 0.320 4.441 4.120 0.001 0.000 0.249 417 V C 2.810 178.927 176.094 0.037 0.000 1.055 417 V CA 2.201 64.524 62.300 0.037 0.000 1.065 417 V CB -0.615 31.232 31.823 0.039 0.000 0.681 417 V HN 1.447 nan 8.190 nan 0.000 0.462 418 A N 0.814 123.652 122.820 0.030 0.000 1.873 418 A HA -0.156 4.165 4.320 0.001 0.000 0.218 418 A C 2.235 179.835 177.584 0.026 0.000 1.193 418 A CA 2.444 54.498 52.037 0.028 0.000 0.629 418 A CB -0.861 18.153 19.000 0.023 0.000 0.826 418 A HN 0.620 nan 8.150 nan 0.000 0.447 419 L N -0.812 120.425 121.223 0.024 0.000 2.131 419 L HA -0.145 4.195 4.340 0.001 0.000 0.210 419 L C 2.460 179.344 176.870 0.024 0.000 1.092 419 L CA 0.938 55.791 54.840 0.021 0.000 0.759 419 L CB -0.400 41.670 42.059 0.020 0.000 0.903 419 L HN 0.403 nan 8.230 nan 0.000 0.435 420 I N -0.865 119.723 120.570 0.029 0.000 2.252 420 I HA -0.221 3.950 4.170 0.001 0.000 0.245 420 I C 2.674 178.813 176.117 0.036 0.000 1.102 420 I CA 0.727 62.047 61.300 0.033 0.000 1.385 420 I CB -0.172 37.853 38.000 0.042 0.000 1.064 420 I HN 0.246 nan 8.210 nan 0.000 0.414 421 R N 0.296 120.820 120.500 0.040 0.000 2.081 421 R HA -0.086 4.254 4.340 0.001 0.000 0.235 421 R C 2.238 178.555 176.300 0.028 0.000 1.131 421 R CA 1.038 57.161 56.100 0.039 0.000 0.960 421 R CB -1.082 29.244 30.300 0.042 0.000 0.856 421 R HN 0.245 nan 8.270 nan 0.000 0.436 422 V N 1.412 121.340 119.914 0.024 0.000 2.295 422 V HA -0.232 3.888 4.120 0.001 0.000 0.246 422 V C 2.564 178.667 176.094 0.016 0.000 1.049 422 V CA 1.899 64.210 62.300 0.018 0.000 1.024 422 V CB -0.936 30.895 31.823 0.014 0.000 0.648 422 V HN 0.321 nan 8.190 nan 0.000 0.447 423 A N 0.842 123.673 122.820 0.017 0.000 1.908 423 A HA -0.249 4.072 4.320 0.001 0.000 0.218 423 A C 2.555 180.148 177.584 0.015 0.000 1.181 423 A CA 2.556 54.602 52.037 0.015 0.000 0.627 423 A CB -0.865 18.145 19.000 0.016 0.000 0.818 423 A HN 0.710 nan 8.150 nan 0.000 0.445 424 S N -0.094 115.618 115.700 0.019 0.000 2.399 424 S HA -0.155 4.316 4.470 0.001 0.000 0.231 424 S C 1.727 176.336 174.600 0.014 0.000 1.022 424 S CA 1.444 59.654 58.200 0.018 0.000 0.983 424 S CB -0.384 62.830 63.200 0.024 0.000 0.803 424 S HN 0.614 nan 8.310 nan 0.000 0.480 425 K N 0.813 121.222 120.400 0.014 0.000 2.365 425 K HA 0.194 4.515 4.320 0.001 0.000 0.199 425 K C 1.162 177.767 176.600 0.008 0.000 1.045 425 K CA 0.656 56.949 56.287 0.011 0.000 0.962 425 K CB -0.255 32.252 32.500 0.012 0.000 0.759 425 K HN 0.449 nan 8.250 nan 0.000 0.469 426 L N -0.079 121.149 121.223 0.008 0.000 2.700 426 L HA 0.197 4.538 4.340 0.001 0.000 0.234 426 L C 1.884 178.758 176.870 0.006 0.000 1.156 426 L CA -0.213 54.631 54.840 0.006 0.000 0.946 426 L CB -0.101 41.961 42.059 0.005 0.000 1.216 426 L HN 0.043 nan 8.230 nan 0.000 0.493 427 A N 0.265 123.089 122.820 0.006 0.000 2.032 427 A HA -0.211 4.110 4.320 0.001 0.000 0.221 427 A C 1.604 179.191 177.584 0.004 0.000 1.165 427 A CA 1.782 53.822 52.037 0.006 0.000 0.645 427 A CB -0.216 18.788 19.000 0.006 0.000 0.807 427 A HN 0.379 nan 8.150 nan 0.000 0.453 428 D N -1.275 119.127 120.400 0.003 0.000 2.349 428 D HA 0.160 4.801 4.640 0.001 0.000 0.214 428 D C 0.200 176.501 176.300 0.002 0.000 1.063 428 D CA -0.267 53.735 54.000 0.002 0.000 0.847 428 D CB -0.011 40.790 40.800 0.002 0.000 0.933 428 D HN 0.350 nan 8.370 nan 0.000 0.513 429 L N 1.919 123.144 121.223 0.002 0.000 2.490 429 L HA 0.089 4.430 4.340 0.001 0.000 0.274 429 L C 0.145 177.016 176.870 0.002 0.000 1.201 429 L CA 0.609 55.450 54.840 0.002 0.000 0.869 429 L CB 0.167 42.227 42.059 0.002 0.000 1.123 429 L HN -0.214 nan 8.230 nan 0.000 0.484 430 R N 3.012 123.513 120.500 0.001 0.000 2.855 430 R HA 0.719 5.059 4.340 0.001 0.000 0.266 430 R C -0.262 176.039 176.300 0.001 0.000 1.034 430 R CA -0.336 55.765 56.100 0.001 0.000 0.944 430 R CB 1.464 31.764 30.300 0.001 0.000 1.219 430 R HN 0.809 nan 8.270 nan 0.000 0.474 431 G N -0.425 108.375 108.800 0.001 0.000 3.119 431 G HA2 0.217 4.178 3.960 0.001 0.000 0.206 431 G HA3 0.217 4.178 3.960 0.001 0.000 0.206 431 G C 0.017 174.917 174.900 0.001 0.000 1.313 431 G CA -0.259 44.842 45.100 0.001 0.000 1.010 431 G HN 0.401 nan 8.290 nan 0.000 0.578 432 Q N -0.435 119.365 119.800 0.001 0.000 2.378 432 Q HA 0.107 4.448 4.340 0.001 0.000 0.205 432 Q C 0.105 176.105 176.000 0.001 0.000 0.954 432 Q CA 0.974 56.778 55.803 0.001 0.000 0.901 432 Q CB 0.052 28.791 28.738 0.001 0.000 0.981 432 Q HN 0.604 nan 8.270 nan 0.000 0.483 433 N N -3.141 115.560 118.700 0.001 0.000 3.106 433 N HA 0.191 4.932 4.740 0.001 0.000 0.253 433 N C 0.268 175.779 175.510 0.002 0.000 1.506 433 N CA 0.112 53.163 53.050 0.002 0.000 0.876 433 N CB 0.112 38.601 38.487 0.002 0.000 1.452 433 N HN -0.167 nan 8.380 nan 0.000 0.542 434 E N -0.158 120.043 120.200 0.002 0.000 2.058 434 E HA -0.207 4.143 4.350 0.001 0.000 0.194 434 E C 0.963 177.564 176.600 0.002 0.000 0.997 434 E CA 2.099 58.500 56.400 0.002 0.000 0.801 434 E CB -1.237 28.465 29.700 0.002 0.000 0.746 434 E HN 0.668 nan 8.360 nan 0.000 0.450 435 D N 0.079 120.480 120.400 0.003 0.000 2.149 435 D HA -0.144 4.497 4.640 0.001 0.000 0.198 435 D C 2.136 178.438 176.300 0.003 0.000 0.990 435 D CA 1.394 55.396 54.000 0.003 0.000 0.839 435 D CB -0.298 40.505 40.800 0.004 0.000 0.948 435 D HN 0.589 nan 8.370 nan 0.000 0.460 436 Q N -0.056 119.745 119.800 0.003 0.000 2.167 436 Q HA -0.071 4.270 4.340 0.001 0.000 0.202 436 Q C 1.735 177.736 176.000 0.002 0.000 0.970 436 Q CA 0.599 56.404 55.803 0.003 0.000 0.855 436 Q CB 0.075 28.814 28.738 0.002 0.000 0.911 436 Q HN 0.236 nan 8.270 nan 0.000 0.438 437 N N -0.063 118.638 118.700 0.002 0.000 2.188 437 N HA -0.109 4.631 4.740 0.001 0.000 0.184 437 N C 1.815 177.326 175.510 0.003 0.000 1.018 437 N CA 0.876 53.928 53.050 0.002 0.000 0.858 437 N CB -0.174 38.314 38.487 0.002 0.000 0.989 437 N HN 0.042 nan 8.380 nan 0.000 0.426 438 V N 0.853 120.768 119.914 0.003 0.000 2.343 438 V HA -0.134 3.987 4.120 0.001 0.000 0.247 438 V C 2.440 178.537 176.094 0.004 0.000 1.051 438 V CA 1.980 64.282 62.300 0.003 0.000 1.036 438 V CB -1.217 30.608 31.823 0.003 0.000 0.654 438 V HN 0.324 nan 8.190 nan 0.000 0.451 439 G N -0.084 108.719 108.800 0.004 0.000 2.440 439 G HA2 -0.245 3.716 3.960 0.001 0.000 0.218 439 G HA3 -0.245 3.716 3.960 0.001 0.000 0.218 439 G C 1.591 176.493 174.900 0.004 0.000 1.154 439 G CA 1.121 46.224 45.100 0.004 0.000 0.767 439 G HN 0.487 nan 8.290 nan 0.000 0.552 440 I N 0.284 120.856 120.570 0.003 0.000 2.179 440 I HA -0.146 4.024 4.170 0.001 0.000 0.242 440 I C 2.699 178.818 176.117 0.004 0.000 1.088 440 I CA 1.038 62.339 61.300 0.003 0.000 1.357 440 I CB -0.052 37.949 38.000 0.002 0.000 1.051 440 I HN -0.008 nan 8.210 nan 0.000 0.409 441 K N 0.436 120.838 120.400 0.004 0.000 2.097 441 K HA -0.073 4.248 4.320 0.001 0.000 0.206 441 K C 2.130 178.733 176.600 0.005 0.000 1.049 441 K CA 0.989 57.279 56.287 0.005 0.000 0.933 441 K CB -0.747 31.755 32.500 0.004 0.000 0.717 441 K HN 0.204 nan 8.250 nan 0.000 0.442 442 V N 1.696 121.613 119.914 0.005 0.000 2.287 442 V HA -0.276 3.844 4.120 0.001 0.000 0.248 442 V C 2.470 178.568 176.094 0.006 0.000 1.053 442 V CA 2.114 64.418 62.300 0.006 0.000 1.027 442 V CB -0.817 31.010 31.823 0.006 0.000 0.646 442 V HN 0.307 nan 8.190 nan 0.000 0.447 443 A N -0.355 122.468 122.820 0.006 0.000 1.902 443 A HA -0.135 4.185 4.320 0.001 0.000 0.217 443 A C 2.177 179.765 177.584 0.007 0.000 1.181 443 A CA 1.736 53.776 52.037 0.006 0.000 0.623 443 A CB -0.525 18.477 19.000 0.004 0.000 0.818 443 A HN 0.516 nan 8.150 nan 0.000 0.443 444 L N -1.439 119.788 121.223 0.007 0.000 2.141 444 L HA -0.129 4.212 4.340 0.001 0.000 0.209 444 L C 2.790 179.666 176.870 0.009 0.000 1.094 444 L CA 1.432 56.277 54.840 0.008 0.000 0.763 444 L CB -0.507 41.557 42.059 0.008 0.000 0.908 444 L HN 0.411 nan 8.230 nan 0.000 0.437 445 R N 0.302 120.807 120.500 0.008 0.000 2.073 445 R HA -0.086 4.254 4.340 0.001 0.000 0.229 445 R C 2.382 178.688 176.300 0.009 0.000 1.120 445 R CA 1.223 57.328 56.100 0.008 0.000 0.967 445 R CB -0.184 30.120 30.300 0.007 0.000 0.862 445 R HN 0.315 nan 8.270 nan 0.000 0.436 446 A N 0.432 123.257 122.820 0.009 0.000 2.070 446 A HA -0.144 4.177 4.320 0.001 0.000 0.220 446 A C 1.991 179.582 177.584 0.012 0.000 1.159 446 A CA 1.145 53.188 52.037 0.010 0.000 0.656 446 A CB -0.360 18.646 19.000 0.011 0.000 0.800 446 A HN 0.309 nan 8.150 nan 0.000 0.453 447 M N -0.734 118.873 119.600 0.012 0.000 2.549 447 M HA -0.109 4.372 4.480 0.001 0.000 0.260 447 M C 1.436 177.746 176.300 0.016 0.000 1.076 447 M CA 1.058 56.366 55.300 0.014 0.000 1.090 447 M CB -0.158 32.451 32.600 0.014 0.000 1.418 447 M HN 0.480 nan 8.290 nan 0.000 0.486 448 E N -0.046 120.163 120.200 0.014 0.000 2.400 448 E HA 0.046 4.397 4.350 0.001 0.000 0.195 448 E C 2.071 178.678 176.600 0.012 0.000 1.012 448 E CA 0.444 56.853 56.400 0.015 0.000 0.875 448 E CB 0.075 29.783 29.700 0.013 0.000 0.859 448 E HN 0.466 nan 8.360 nan 0.000 0.498 449 A N 2.513 125.340 122.820 0.011 0.000 1.903 449 A HA -0.166 4.154 4.320 0.001 0.000 0.219 449 A C -0.311 177.279 177.584 0.010 0.000 1.191 449 A CA 1.479 53.522 52.037 0.009 0.000 0.638 449 A CB -1.469 17.537 19.000 0.010 0.000 0.823 449 A HN 0.137 nan 8.150 nan 0.000 0.451 450 P HA -0.161 nan 4.420 nan 0.000 0.214 450 P C 1.822 179.130 177.300 0.014 0.000 1.163 450 P CA 1.090 64.198 63.100 0.014 0.000 0.883 450 P CB -0.138 31.571 31.700 0.016 0.000 0.788 451 L N -0.771 120.462 121.223 0.016 0.000 2.046 451 L HA -0.167 4.174 4.340 0.001 0.000 0.208 451 L C 2.414 179.287 176.870 0.005 0.000 1.077 451 L CA 1.715 56.565 54.840 0.018 0.000 0.747 451 L CB -0.288 41.784 42.059 0.021 0.000 0.896 451 L HN -0.194 nan 8.230 nan 0.000 0.432 452 R N -0.817 119.683 120.500 -0.000 0.000 2.096 452 R HA -0.205 4.135 4.340 0.001 0.000 0.235 452 R C 2.310 178.605 176.300 -0.008 0.000 1.127 452 R CA 1.559 57.652 56.100 -0.011 0.000 0.968 452 R CB -0.296 30.000 30.300 -0.007 0.000 0.861 452 R HN 0.378 nan 8.270 nan 0.000 0.440 453 Q N 0.993 120.793 119.800 0.001 0.000 2.123 453 Q HA -0.024 4.316 4.340 0.001 0.000 0.199 453 Q C 1.788 177.791 176.000 0.006 0.000 0.966 453 Q CA 1.339 57.143 55.803 0.002 0.000 0.845 453 Q CB -0.030 28.710 28.738 0.004 0.000 0.907 453 Q HN 0.328 nan 8.270 nan 0.000 0.439 454 I N -0.775 119.803 120.570 0.013 0.000 2.226 454 I HA -0.262 3.909 4.170 0.001 0.000 0.245 454 I C 1.949 178.088 176.117 0.036 0.000 1.100 454 I CA 0.877 62.191 61.300 0.025 0.000 1.374 454 I CB -0.216 37.805 38.000 0.035 0.000 1.057 454 I HN 0.063 nan 8.210 nan 0.000 0.413 455 V N 0.531 120.459 119.914 0.022 0.000 2.307 455 V HA -0.272 3.849 4.120 0.001 0.000 0.245 455 V C 2.381 178.472 176.094 -0.006 0.000 1.045 455 V CA 1.564 63.862 62.300 -0.003 0.000 1.024 455 V CB -0.518 31.241 31.823 -0.106 0.000 0.651 455 V HN 0.342 nan 8.190 nan 0.000 0.449 456 L N 0.927 122.144 121.223 -0.011 0.000 2.042 456 L HA -0.173 4.167 4.340 0.001 0.000 0.210 456 L C 2.148 179.019 176.870 0.002 0.000 1.076 456 L CA 1.961 56.797 54.840 -0.008 0.000 0.749 456 L CB -0.908 41.146 42.059 -0.007 0.000 0.893 456 L HN 0.332 nan 8.230 nan 0.000 0.432 457 N N -1.336 117.369 118.700 0.007 0.000 2.381 457 N HA -0.141 4.600 4.740 0.001 0.000 0.182 457 N C 1.764 177.282 175.510 0.014 0.000 1.025 457 N CA 1.462 54.517 53.050 0.009 0.000 0.888 457 N CB -0.642 37.849 38.487 0.008 0.000 0.965 457 N HN 0.432 nan 8.380 nan 0.000 0.438 458 C N -0.756 118.560 119.300 0.026 0.000 2.468 458 C HA 0.207 4.667 4.460 0.001 0.000 0.277 458 C C 1.768 176.774 174.990 0.028 0.000 1.400 458 C CA 0.635 59.676 59.018 0.038 0.000 1.770 458 C CB -1.008 26.784 27.740 0.088 0.000 1.905 458 C HN 0.635 nan 8.230 nan 0.000 0.519 459 G N 0.394 109.204 108.800 0.016 0.000 2.144 459 G HA2 -0.143 3.817 3.960 0.001 0.000 0.218 459 G HA3 -0.143 3.817 3.960 0.001 0.000 0.218 459 G C -0.180 174.724 174.900 0.007 0.000 0.988 459 G CA 0.095 45.202 45.100 0.010 0.000 0.659 459 G HN 0.464 nan 8.290 nan 0.000 0.522 460 E N 0.317 120.517 120.200 0.000 0.000 2.302 460 E HA 0.490 4.840 4.350 0.001 0.000 0.255 460 E C 0.174 176.748 176.600 -0.043 0.000 1.099 460 E CA -0.642 55.744 56.400 -0.024 0.000 0.929 460 E CB 0.543 30.210 29.700 -0.055 0.000 1.203 460 E HN 0.495 nan 8.360 nan 0.000 0.459 461 E N 1.372 121.538 120.200 -0.058 0.000 2.081 461 E HA 0.148 4.499 4.350 0.001 0.000 0.281 461 E C -1.774 174.782 176.600 -0.072 0.000 0.986 461 E CA -1.646 54.724 56.400 -0.049 0.000 0.796 461 E CB 1.112 30.793 29.700 -0.030 0.000 1.085 461 E HN 0.118 nan 8.360 nan 0.000 0.398 462 P HA -0.211 nan 4.420 nan 0.000 0.214 462 P C 1.149 178.422 177.300 -0.045 0.000 1.163 462 P CA 1.241 64.307 63.100 -0.057 0.000 0.889 462 P CB 0.311 31.991 31.700 -0.032 0.000 0.790 463 S N -1.058 114.626 115.700 -0.028 0.000 2.382 463 S HA -0.101 4.370 4.470 0.001 0.000 0.228 463 S C 1.959 176.550 174.600 -0.014 0.000 1.027 463 S CA 1.103 59.293 58.200 -0.016 0.000 0.991 463 S CB -1.079 62.115 63.200 -0.010 0.000 0.823 463 S HN -0.063 nan 8.310 nan 0.000 0.469 464 V N 1.224 121.126 119.914 -0.020 0.000 2.270 464 V HA -0.118 4.003 4.120 0.001 0.000 0.245 464 V C 2.308 178.404 176.094 0.003 0.000 1.043 464 V CA 1.436 63.731 62.300 -0.008 0.000 1.014 464 V CB -0.720 31.098 31.823 -0.007 0.000 0.645 464 V HN 0.332 nan 8.190 nan 0.000 0.447 465 V N 0.379 120.266 119.914 -0.046 0.000 2.343 465 V HA -0.252 3.868 4.120 0.001 0.000 0.247 465 V C 2.723 178.831 176.094 0.024 0.000 1.051 465 V CA 1.991 64.260 62.300 -0.051 0.000 1.036 465 V CB -1.202 30.384 31.823 -0.395 0.000 0.654 465 V HN 0.551 nan 8.190 nan 0.000 0.451 466 A N 0.532 123.346 122.820 -0.009 0.000 1.883 466 A HA -0.322 3.998 4.320 0.001 0.000 0.217 466 A C 2.081 179.690 177.584 0.042 0.000 1.186 466 A CA 2.486 54.534 52.037 0.019 0.000 0.624 466 A CB -0.938 18.064 19.000 0.004 0.000 0.822 466 A HN 0.619 nan 8.150 nan 0.000 0.444 467 N N -0.743 117.975 118.700 0.029 0.000 2.104 467 N HA -0.131 4.610 4.740 0.001 0.000 0.190 467 N C 1.667 177.201 175.510 0.040 0.000 1.024 467 N CA 2.367 55.433 53.050 0.027 0.000 0.853 467 N CB -0.371 38.122 38.487 0.011 0.000 1.008 467 N HN 0.414 nan 8.380 nan 0.000 0.424 468 T N -0.619 113.965 114.554 0.050 0.000 2.777 468 T HA -0.047 4.303 4.350 0.001 0.000 0.266 468 T C 1.942 176.744 174.700 0.169 0.000 1.040 468 T CA 1.152 63.273 62.100 0.034 0.000 1.141 468 T CB -0.339 68.462 68.868 -0.113 0.000 0.868 468 T HN 0.021 nan 8.240 nan 0.000 0.444 469 V N 1.730 121.775 119.914 0.218 0.000 2.295 469 V HA -0.160 3.961 4.120 0.001 0.000 0.246 469 V C 2.441 178.668 176.094 0.222 0.000 1.049 469 V CA 1.501 63.957 62.300 0.261 0.000 1.024 469 V CB -0.481 31.441 31.823 0.165 0.000 0.648 469 V HN 0.467 nan 8.190 nan 0.000 0.447 470 K N 0.328 120.805 120.400 0.129 0.000 2.209 470 K HA -0.114 4.206 4.320 0.001 0.000 0.204 470 K C 2.206 178.850 176.600 0.074 0.000 1.048 470 K CA 1.320 57.660 56.287 0.089 0.000 0.940 470 K CB -0.554 31.978 32.500 0.054 0.000 0.729 470 K HN 0.581 nan 8.250 nan 0.000 0.451 471 G N 1.333 110.177 108.800 0.072 0.000 2.418 471 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 471 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 471 G C 0.955 175.844 174.900 -0.018 0.000 1.158 471 G CA 0.907 46.017 45.100 0.017 0.000 0.771 471 G HN 0.402 nan 8.290 nan 0.000 0.545 472 G N -0.076 108.730 108.800 0.010 0.000 2.666 472 G HA2 0.482 4.443 3.960 0.001 0.000 0.207 472 G HA3 0.482 4.443 3.960 0.001 0.000 0.207 472 G C -0.441 174.472 174.900 0.021 0.000 1.481 472 G CA 0.472 45.493 45.100 -0.132 0.000 1.071 472 G HN 0.503 nan 8.290 nan 0.000 0.572 473 D N -4.088 116.342 120.400 0.052 0.000 2.738 473 D HA 0.492 5.133 4.640 0.001 0.000 0.308 473 D C 0.551 176.916 176.300 0.109 0.000 1.311 473 D CA 0.533 54.581 54.000 0.079 0.000 0.799 473 D CB 0.375 41.191 40.800 0.027 0.000 1.332 473 D HN 1.733 nan 8.370 nan 0.000 0.441 474 G N 0.404 109.254 108.800 0.083 0.000 2.550 474 G HA2 -0.341 3.620 3.960 0.001 0.000 0.277 474 G HA3 -0.341 3.620 3.960 0.001 0.000 0.277 474 G C 0.235 175.198 174.900 0.106 0.000 1.190 474 G CA 0.382 45.530 45.100 0.080 0.000 0.971 474 G HN 0.785 nan 8.290 nan 0.000 0.559 475 N N 0.019 118.782 118.700 0.106 0.000 2.434 475 N HA 0.184 4.924 4.740 0.001 0.000 0.196 475 N C 0.219 175.814 175.510 0.141 0.000 1.183 475 N CA -0.093 53.017 53.050 0.099 0.000 0.849 475 N CB 0.129 38.658 38.487 0.071 0.000 0.992 475 N HN 0.458 nan 8.380 nan 0.000 0.460 476 Y N 1.572 121.906 120.300 0.056 0.000 2.569 476 Y HA 0.319 4.870 4.550 0.001 0.000 0.332 476 Y C 0.630 176.601 175.900 0.117 0.000 1.120 476 Y CA -0.023 58.127 58.100 0.083 0.000 1.416 476 Y CB 0.119 38.622 38.460 0.071 0.000 1.210 476 Y HN -0.021 nan 8.280 nan 0.000 0.528 477 G N 4.229 112.825 108.800 -0.339 0.000 2.721 477 G HA2 0.279 4.239 3.960 0.001 0.000 0.296 477 G HA3 0.279 4.239 3.960 0.001 0.000 0.296 477 G C -2.455 172.324 174.900 -0.200 0.000 1.383 477 G CA -0.918 44.059 45.100 -0.204 0.000 0.788 477 G HN 0.490 nan 8.290 nan 0.000 0.500 478 Y N 1.514 121.655 120.300 -0.266 0.000 2.331 478 Y HA 0.543 5.094 4.550 0.001 0.000 0.338 478 Y C -0.012 175.721 175.900 -0.278 0.000 0.976 478 Y CA -1.398 56.448 58.100 -0.423 0.000 1.137 478 Y CB 1.424 39.615 38.460 -0.448 0.000 1.172 478 Y HN 0.416 nan 8.280 nan 0.000 0.478 479 N N 4.785 123.044 118.700 -0.735 0.000 2.415 479 N HA 0.176 4.917 4.740 0.001 0.000 0.246 479 N C 0.378 175.404 175.510 -0.805 0.000 1.078 479 N CA 0.530 53.251 53.050 -0.548 0.000 0.942 479 N CB 1.413 39.677 38.487 -0.373 0.000 1.140 479 N HN 0.907 nan 8.380 nan 0.000 0.501 480 A N 3.633 126.155 122.820 -0.496 0.000 2.067 480 A HA 0.017 4.338 4.320 0.001 0.000 0.219 480 A C 1.986 179.438 177.584 -0.219 0.000 1.158 480 A CA 1.441 53.287 52.037 -0.317 0.000 0.661 480 A CB -0.303 18.666 19.000 -0.051 0.000 0.801 480 A HN 0.706 nan 8.150 nan 0.000 0.452 481 A N -0.293 122.407 122.820 -0.200 0.000 1.897 481 A HA -0.034 4.286 4.320 0.001 0.000 0.215 481 A C 2.314 179.813 177.584 -0.141 0.000 1.181 481 A CA 2.215 54.173 52.037 -0.132 0.000 0.620 481 A CB -0.883 18.055 19.000 -0.104 0.000 0.821 481 A HN 0.737 nan 8.150 nan 0.000 0.443 482 T N -3.693 110.743 114.554 -0.197 0.000 3.040 482 T HA 0.201 4.551 4.350 0.001 0.000 0.250 482 T C 0.183 174.760 174.700 -0.204 0.000 1.058 482 T CA 0.632 62.634 62.100 -0.165 0.000 0.988 482 T CB -0.193 68.590 68.868 -0.142 0.000 0.993 482 T HN 0.531 nan 8.240 nan 0.000 0.519 483 E N 1.266 121.245 120.200 -0.369 0.000 2.416 483 E HA -0.128 4.223 4.350 0.001 0.000 0.249 483 E C -0.901 175.508 176.600 -0.318 0.000 1.124 483 E CA 0.553 56.715 56.400 -0.398 0.000 0.732 483 E CB -1.320 28.351 29.700 -0.049 0.000 1.286 483 E HN 0.661 nan 8.360 nan 0.000 0.394 484 E N -0.201 119.711 120.200 -0.480 0.000 2.317 484 E HA 0.406 4.756 4.350 0.001 0.000 0.270 484 E C -0.438 175.972 176.600 -0.318 0.000 0.885 484 E CA -0.743 55.524 56.400 -0.222 0.000 0.760 484 E CB 1.011 30.649 29.700 -0.103 0.000 1.227 484 E HN 0.045 nan 8.360 nan 0.000 0.434 485 Y N 0.128 120.418 120.300 -0.016 0.000 2.326 485 Y HA 0.603 5.154 4.550 0.001 0.000 0.324 485 Y C 1.267 177.125 175.900 -0.070 0.000 1.291 485 Y CA 0.633 58.684 58.100 -0.082 0.000 1.348 485 Y CB 1.554 40.004 38.460 -0.017 0.000 1.294 485 Y HN 0.678 nan 8.280 nan 0.000 0.525 486 G N 0.577 109.382 108.800 0.008 0.000 2.323 486 G HA2 -0.009 3.951 3.960 0.001 0.000 0.291 486 G HA3 -0.009 3.951 3.960 0.001 0.000 0.291 486 G C -1.891 173.053 174.900 0.074 0.000 1.278 486 G CA -1.158 44.001 45.100 0.099 0.000 0.860 486 G HN 0.518 nan 8.290 nan 0.000 0.504 487 N N 1.159 119.916 118.700 0.095 0.000 2.406 487 N HA 0.141 4.882 4.740 0.001 0.000 0.251 487 N C 1.716 177.243 175.510 0.029 0.000 1.069 487 N CA -0.559 52.542 53.050 0.085 0.000 0.947 487 N CB 0.826 39.363 38.487 0.084 0.000 1.111 487 N HN 0.364 nan 8.380 nan 0.000 0.497 488 M N 3.321 122.929 119.600 0.013 0.000 2.106 488 M HA -0.194 4.286 4.480 0.001 0.000 0.259 488 M C 1.618 177.918 176.300 -0.001 0.000 1.068 488 M CA 1.220 56.514 55.300 -0.010 0.000 1.100 488 M CB -0.663 31.932 32.600 -0.007 0.000 1.351 488 M HN 0.538 nan 8.290 nan 0.000 0.404 489 I N 0.466 121.044 120.570 0.014 0.000 2.202 489 I HA -0.249 3.922 4.170 0.001 0.000 0.242 489 I C 1.908 178.031 176.117 0.010 0.000 1.091 489 I CA 1.420 62.727 61.300 0.013 0.000 1.368 489 I CB -1.698 36.314 38.000 0.020 0.000 1.058 489 I HN 0.237 nan 8.210 nan 0.000 0.410 490 D N 0.608 121.017 120.400 0.016 0.000 2.218 490 D HA -0.150 4.490 4.640 0.001 0.000 0.204 490 D C 2.165 178.466 176.300 0.002 0.000 0.976 490 D CA 1.108 55.116 54.000 0.013 0.000 0.853 490 D CB -0.137 40.676 40.800 0.022 0.000 0.939 490 D HN 0.368 nan 8.370 nan 0.000 0.481 491 M N -0.832 118.764 119.600 -0.006 0.000 2.561 491 M HA 0.162 4.642 4.480 0.001 0.000 0.238 491 M C 0.993 177.279 176.300 -0.023 0.000 1.131 491 M CA 0.412 55.700 55.300 -0.021 0.000 1.046 491 M CB 0.568 33.144 32.600 -0.041 0.000 1.532 491 M HN 0.026 nan 8.290 nan 0.000 0.497 492 G N 2.289 111.080 108.800 -0.014 0.000 2.176 492 G HA2 -0.239 3.721 3.960 0.001 0.000 0.252 492 G HA3 -0.239 3.721 3.960 0.001 0.000 0.252 492 G C -0.059 174.831 174.900 -0.016 0.000 1.024 492 G CA -0.222 44.870 45.100 -0.012 0.000 0.755 492 G HN 0.539 nan 8.290 nan 0.000 0.507 493 I N 1.035 121.593 120.570 -0.019 0.000 2.361 493 I HA 0.454 4.625 4.170 0.001 0.000 0.282 493 I C 0.476 176.587 176.117 -0.010 0.000 1.075 493 I CA -0.484 60.803 61.300 -0.022 0.000 1.205 493 I CB 0.380 38.357 38.000 -0.038 0.000 1.406 493 I HN 0.015 nan 8.210 nan 0.000 0.481 494 L N 4.393 125.614 121.223 -0.004 0.000 2.341 494 L HA 0.703 5.043 4.340 0.001 0.000 0.267 494 L C -0.964 175.911 176.870 0.007 0.000 1.009 494 L CA -0.958 53.884 54.840 0.004 0.000 0.819 494 L CB 2.050 44.112 42.059 0.005 0.000 1.323 494 L HN 0.275 nan 8.230 nan 0.000 0.425 495 D N 0.637 121.044 120.400 0.012 0.000 2.646 495 D HA 0.394 5.035 4.640 0.001 0.000 0.245 495 D C -2.653 173.658 176.300 0.018 0.000 1.099 495 D CA -1.422 52.587 54.000 0.016 0.000 0.849 495 D CB 2.514 43.324 40.800 0.018 0.000 1.448 495 D HN 0.122 nan 8.370 nan 0.000 0.489 496 P HA 0.087 nan 4.420 nan 0.000 0.267 496 P C 0.823 178.136 177.300 0.022 0.000 1.205 496 P CA -0.005 63.108 63.100 0.020 0.000 0.765 496 P CB 0.664 32.378 31.700 0.024 0.000 0.828 497 T N 2.243 116.807 114.554 0.017 0.000 2.849 497 T HA -0.201 4.150 4.350 0.001 0.000 0.270 497 T C 1.593 176.304 174.700 0.019 0.000 1.066 497 T CA 1.256 63.366 62.100 0.016 0.000 1.130 497 T CB -0.254 68.621 68.868 0.012 0.000 0.864 497 T HN 0.498 nan 8.240 nan 0.000 0.481 498 K N 0.828 121.241 120.400 0.022 0.000 2.057 498 K HA -0.073 4.248 4.320 0.001 0.000 0.207 498 K C 2.418 179.044 176.600 0.044 0.000 1.049 498 K CA 1.318 57.622 56.287 0.028 0.000 0.931 498 K CB -0.304 32.212 32.500 0.027 0.000 0.714 498 K HN 0.310 nan 8.250 nan 0.000 0.440 499 V N 0.262 120.204 119.914 0.048 0.000 2.453 499 V HA -0.138 3.982 4.120 0.001 0.000 0.247 499 V C 1.671 177.797 176.094 0.053 0.000 1.048 499 V CA 2.288 64.625 62.300 0.061 0.000 1.049 499 V CB -0.436 31.424 31.823 0.062 0.000 0.672 499 V HN 0.343 nan 8.190 nan 0.000 0.457 500 T N 0.638 115.215 114.554 0.038 0.000 2.708 500 T HA -0.168 4.183 4.350 0.001 0.000 0.266 500 T C 1.964 176.680 174.700 0.027 0.000 1.037 500 T CA 2.079 64.198 62.100 0.031 0.000 1.146 500 T CB -0.394 68.488 68.868 0.023 0.000 0.865 500 T HN 0.594 nan 8.240 nan 0.000 0.435 501 R N 0.949 121.461 120.500 0.020 0.000 2.083 501 R HA -0.102 4.238 4.340 0.001 0.000 0.237 501 R C 2.528 178.826 176.300 -0.004 0.000 1.137 501 R CA 1.811 57.913 56.100 0.002 0.000 0.951 501 R CB -0.360 29.937 30.300 -0.004 0.000 0.851 501 R HN 0.258 nan 8.270 nan 0.000 0.434 502 S N 0.559 116.279 115.700 0.033 0.000 2.368 502 S HA -0.113 4.358 4.470 0.001 0.000 0.225 502 S C 2.037 176.726 174.600 0.148 0.000 1.030 502 S CA 1.108 59.359 58.200 0.084 0.000 0.999 502 S CB -0.265 63.049 63.200 0.190 0.000 0.844 502 S HN 0.575 nan 8.310 nan 0.000 0.459 503 A N 1.515 124.407 122.820 0.119 0.000 1.883 503 A HA -0.092 4.228 4.320 0.001 0.000 0.217 503 A C 2.155 179.788 177.584 0.082 0.000 1.186 503 A CA 1.579 53.684 52.037 0.113 0.000 0.624 503 A CB -0.798 18.244 19.000 0.070 0.000 0.822 503 A HN 0.414 nan 8.150 nan 0.000 0.444 504 L N -0.220 121.025 121.223 0.038 0.000 2.046 504 L HA -0.187 4.154 4.340 0.001 0.000 0.208 504 L C 2.508 179.369 176.870 -0.016 0.000 1.077 504 L CA 2.326 57.173 54.840 0.013 0.000 0.747 504 L CB -0.686 41.373 42.059 0.000 0.000 0.896 504 L HN 0.517 nan 8.230 nan 0.000 0.432 505 Q N -1.866 117.889 119.800 -0.075 0.000 2.079 505 Q HA -0.205 4.136 4.340 0.001 0.000 0.200 505 Q C 2.139 178.024 176.000 -0.193 0.000 0.974 505 Q CA 1.871 57.570 55.803 -0.174 0.000 0.840 505 Q CB -0.302 28.258 28.738 -0.298 0.000 0.898 505 Q HN 0.513 nan 8.270 nan 0.000 0.430 506 Y N 0.264 120.568 120.300 0.006 0.000 2.314 506 Y HA -0.121 4.430 4.550 0.001 0.000 0.293 506 Y C 2.349 178.251 175.900 0.004 0.000 1.129 506 Y CA 0.852 58.955 58.100 0.005 0.000 1.201 506 Y CB -0.562 37.901 38.460 0.005 0.000 0.999 506 Y HN 0.129 nan 8.280 nan 0.000 0.541 507 A N 0.024 122.926 122.820 0.137 0.000 1.877 507 A HA -0.120 4.201 4.320 0.001 0.000 0.216 507 A C 2.462 180.077 177.584 0.051 0.000 1.186 507 A CA 1.899 53.985 52.037 0.082 0.000 0.620 507 A CB -1.223 17.812 19.000 0.057 0.000 0.822 507 A HN 0.370 nan 8.150 nan 0.000 0.443 508 A N -0.872 121.964 122.820 0.027 0.000 1.930 508 A HA -0.064 4.257 4.320 0.001 0.000 0.217 508 A C 2.461 180.054 177.584 0.014 0.000 1.175 508 A CA 2.110 54.154 52.037 0.011 0.000 0.627 508 A CB -0.870 18.126 19.000 -0.008 0.000 0.815 508 A HN 0.587 nan 8.150 nan 0.000 0.443 509 S N -0.500 115.211 115.700 0.018 0.000 2.348 509 S HA -0.131 4.339 4.470 0.001 0.000 0.221 509 S C 1.907 176.537 174.600 0.049 0.000 1.033 509 S CA 1.804 60.022 58.200 0.029 0.000 1.010 509 S CB -0.504 62.721 63.200 0.041 0.000 0.891 509 S HN 0.300 nan 8.310 nan 0.000 0.442 510 V N 2.278 122.234 119.914 0.070 0.000 2.427 510 V HA -0.050 4.071 4.120 0.001 0.000 0.248 510 V C 2.896 179.012 176.094 0.037 0.000 1.051 510 V CA 1.585 63.918 62.300 0.056 0.000 1.048 510 V CB -1.402 30.457 31.823 0.059 0.000 0.666 510 V HN 0.616 nan 8.190 nan 0.000 0.456 511 A N 0.803 123.644 122.820 0.035 0.000 1.902 511 A HA -0.114 4.207 4.320 0.001 0.000 0.217 511 A C 2.444 180.041 177.584 0.021 0.000 1.181 511 A CA 1.999 54.051 52.037 0.025 0.000 0.623 511 A CB -1.280 17.733 19.000 0.022 0.000 0.818 511 A HN 0.518 nan 8.150 nan 0.000 0.443 512 G N -0.185 108.627 108.800 0.019 0.000 2.440 512 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 512 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 512 G C 1.561 176.471 174.900 0.017 0.000 1.154 512 G CA 1.092 46.202 45.100 0.016 0.000 0.767 512 G HN 0.441 nan 8.290 nan 0.000 0.552 513 L N -0.263 120.973 121.223 0.021 0.000 2.017 513 L HA -0.054 4.287 4.340 0.001 0.000 0.208 513 L C 3.147 180.028 176.870 0.019 0.000 1.073 513 L CA 1.101 55.953 54.840 0.020 0.000 0.745 513 L CB -0.350 41.723 42.059 0.024 0.000 0.894 513 L HN 0.233 nan 8.230 nan 0.000 0.432 514 M N -0.587 119.025 119.600 0.020 0.000 2.117 514 M HA -0.214 4.267 4.480 0.001 0.000 0.262 514 M C 2.307 178.617 176.300 0.017 0.000 1.065 514 M CA 1.816 57.127 55.300 0.019 0.000 1.114 514 M CB -0.392 32.220 32.600 0.019 0.000 1.361 514 M HN 0.214 nan 8.290 nan 0.000 0.408 515 I N 0.070 120.650 120.570 0.016 0.000 2.454 515 I HA -0.211 3.959 4.170 0.001 0.000 0.254 515 I C 1.879 178.005 176.117 0.016 0.000 1.156 515 I CA 1.447 62.756 61.300 0.015 0.000 1.433 515 I CB -0.439 37.569 38.000 0.013 0.000 1.082 515 I HN 0.397 nan 8.210 nan 0.000 0.432 516 T N -3.277 111.287 114.554 0.016 0.000 3.186 516 T HA 0.144 4.494 4.350 0.001 0.000 0.257 516 T C 0.558 175.270 174.700 0.020 0.000 1.029 516 T CA -0.273 61.838 62.100 0.018 0.000 0.916 516 T CB -0.444 68.434 68.868 0.017 0.000 1.041 516 T HN -0.059 nan 8.240 nan 0.000 0.562 517 T N 2.461 117.026 114.554 0.018 0.000 2.771 517 T HA 0.284 4.635 4.350 0.001 0.000 0.291 517 T C 0.657 175.368 174.700 0.019 0.000 0.954 517 T CA -0.473 61.636 62.100 0.016 0.000 1.045 517 T CB 1.445 70.320 68.868 0.013 0.000 0.917 517 T HN 0.097 nan 8.240 nan 0.000 0.484 518 E N 0.651 120.866 120.200 0.025 0.000 2.447 518 E HA 0.166 4.517 4.350 0.001 0.000 0.204 518 E C 0.233 176.847 176.600 0.023 0.000 0.977 518 E CA 0.139 56.570 56.400 0.052 0.000 0.950 518 E CB 0.618 30.372 29.700 0.090 0.000 0.975 518 E HN 0.605 nan 8.360 nan 0.000 0.496 519 C N 0.259 119.522 119.300 -0.062 0.000 3.082 519 C HA 0.692 5.153 4.460 0.001 0.000 0.324 519 C C -1.439 173.450 174.990 -0.168 0.000 1.210 519 C CA -0.663 58.203 59.018 -0.254 0.000 1.366 519 C CB 0.570 28.087 27.740 -0.373 0.000 1.756 519 C HN 0.120 nan 8.230 nan 0.000 0.485 520 M N 4.518 124.013 119.600 -0.174 0.000 2.393 520 M HA 0.636 5.117 4.480 0.001 0.000 0.299 520 M C -1.166 175.190 176.300 0.093 0.000 1.103 520 M CA -0.590 54.729 55.300 0.031 0.000 0.910 520 M CB 2.185 34.924 32.600 0.232 0.000 1.659 520 M HN 0.413 nan 8.290 nan 0.000 0.445 521 V N 0.998 120.935 119.914 0.038 0.000 2.588 521 V HA 0.807 4.928 4.120 0.001 0.000 0.304 521 V C -0.391 175.647 176.094 -0.093 0.000 1.042 521 V CA -0.441 61.862 62.300 0.005 0.000 0.877 521 V CB 2.018 33.825 31.823 -0.028 0.000 0.996 521 V HN 0.954 nan 8.190 nan 0.000 0.425 522 T N 1.635 116.089 114.554 -0.166 0.000 2.821 522 T HA 0.393 4.744 4.350 0.001 0.000 0.306 522 T C -1.448 173.144 174.700 -0.181 0.000 1.313 522 T CA -0.551 61.388 62.100 -0.268 0.000 1.012 522 T CB 1.901 70.425 68.868 -0.574 0.000 1.298 522 T HN 0.649 nan 8.240 nan 0.000 0.502 523 D N 1.771 122.079 120.400 -0.153 0.000 2.423 523 D HA 0.274 4.915 4.640 0.001 0.000 0.238 523 D C 0.028 176.273 176.300 -0.091 0.000 1.142 523 D CA -0.080 53.864 54.000 -0.094 0.000 0.884 523 D CB 0.423 41.176 40.800 -0.078 0.000 1.199 523 D HN 0.279 nan 8.370 nan 0.000 0.438 524 L N 4.323 125.522 121.223 -0.041 0.000 2.453 524 L HA 0.180 4.520 4.340 0.001 0.000 0.272 524 L C -1.769 175.088 176.870 -0.022 0.000 1.182 524 L CA -1.335 53.497 54.840 -0.013 0.000 0.858 524 L CB 0.207 42.271 42.059 0.007 0.000 1.120 524 L HN 0.284 nan 8.230 nan 0.000 0.474 525 P HA 0.050 nan 4.420 nan 0.000 0.252 525 P C -1.021 176.275 177.300 -0.007 0.000 1.635 525 P CA 0.364 63.455 63.100 -0.014 0.000 1.206 525 P CB -0.053 31.649 31.700 0.003 0.000 1.911 526 K N 0.000 120.392 120.400 -0.013 0.000 2.780 526 K HA 0.000 4.321 4.320 0.001 0.000 0.191 526 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 526 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543