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_G 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 1.032 123.852 122.820 -0.000 0.000 2.540 3 A HA 0.522 4.843 4.320 0.001 0.000 0.239 3 A C 0.198 177.785 177.584 0.005 0.000 1.061 3 A CA 0.396 52.437 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 0.586 nan 8.150 nan 0.000 0.502 4 K N 1.400 121.808 120.400 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 1.524 34.031 32.500 0.012 0.000 1.107 4 K HN 0.747 nan 8.250 nan 0.000 0.436 5 D N 0.921 121.364 120.400 0.072 0.000 2.217 5 D HA 0.384 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 0.039 nan 8.370 nan 0.000 0.472 6 V N 4.059 124.090 119.914 0.195 0.000 2.531 6 V HA 0.443 4.564 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 1.911 33.741 31.823 0.011 0.000 0.995 6 V HN 0.396 nan 8.190 nan 0.000 0.424 7 K N 3.681 123.911 120.400 -0.283 0.000 2.318 7 K HA 0.768 5.089 4.320 0.001 0.000 0.249 7 K C -1.597 174.712 176.600 -0.485 0.000 0.942 7 K CA -0.503 55.563 56.287 -0.368 0.000 0.808 7 K CB 2.525 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 1.315 177.083 175.800 -0.054 0.000 1.058 8 F CA -0.057 57.913 58.000 -0.049 0.000 0.944 8 F CB 1.680 40.661 39.000 -0.031 0.000 1.245 8 F HN 0.818 nan 8.300 nan 0.000 0.477 9 G N 1.949 110.845 108.800 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 0.818 119.531 118.700 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 0.402 120.782 120.400 -0.033 0.000 2.123 11 D HA -0.100 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 1.248 55.196 54.000 -0.087 0.000 0.833 11 D CB -0.378 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 4.380 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 1.908 53.857 52.037 -0.147 0.000 0.620 12 A CB -1.049 17.884 19.000 -0.112 0.000 0.821 12 A HN 0.292 nan 8.150 nan 0.000 0.443 13 G N 0.144 108.924 108.800 -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 2.204 47.298 45.100 -0.011 0.000 0.771 13 G HN 1.034 nan 8.290 nan 0.000 0.551 14 V N -1.263 118.639 119.914 -0.019 0.000 2.490 14 V HA -0.052 4.069 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 2.088 64.381 62.300 -0.013 0.000 1.064 14 V CB -0.470 31.342 31.823 -0.018 0.000 0.670 14 V HN 0.088 nan 8.190 nan 0.000 0.461 15 K N 0.157 120.549 120.400 -0.014 0.000 2.025 15 K HA 0.019 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 2.232 178.548 176.300 0.028 0.000 1.068 16 M CA 1.231 56.556 55.300 0.042 0.000 1.109 16 M CB -0.372 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 0.504 121.738 121.223 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 1.937 56.785 54.840 0.014 0.000 0.749 17 L CB -0.696 41.368 42.059 0.009 0.000 0.893 17 L HN 0.163 nan 8.230 nan 0.000 0.432 18 R N -0.138 120.371 120.500 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 57.829 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 -0.112 108.703 108.800 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 1.435 176.344 174.900 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 -0.177 119.746 119.914 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 2.089 64.395 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 0.984 119.689 118.700 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 -0.573 37.918 38.487 0.006 0.000 0.998 21 N HN 0.493 nan 8.380 nan 0.000 0.424 22 V N 1.597 121.514 119.914 0.004 0.000 2.295 22 V HA -0.190 3.931 4.120 0.001 0.000 0.246 22 V C 2.413 178.506 176.094 -0.001 0.000 1.049 22 V CA 1.205 63.506 62.300 0.002 0.000 1.024 22 V CB -0.594 31.230 31.823 0.002 0.000 0.648 22 V HN 0.212 nan 8.190 nan 0.000 0.447 23 L N 0.681 121.904 121.223 -0.001 0.000 1.994 23 L HA -0.101 4.240 4.340 0.001 0.000 0.208 23 L C 2.461 179.328 176.870 -0.003 0.000 1.071 23 L CA 2.404 57.241 54.840 -0.004 0.000 0.745 23 L CB -0.745 41.312 42.059 -0.004 0.000 0.892 23 L HN 0.209 nan 8.230 nan 0.000 0.431 24 A N -0.689 122.131 122.820 -0.000 0.000 1.902 24 A HA -0.222 4.099 4.320 0.001 0.000 0.217 24 A C 1.963 179.546 177.584 -0.000 0.000 1.181 24 A CA 1.926 53.963 52.037 0.001 0.000 0.623 24 A CB -0.874 18.129 19.000 0.004 0.000 0.818 24 A HN 0.576 nan 8.150 nan 0.000 0.443 25 D N 0.045 120.445 120.400 -0.000 0.000 2.144 25 D HA -0.017 4.624 4.640 0.001 0.000 0.200 25 D C 2.202 178.501 176.300 -0.003 0.000 0.978 25 D CA 1.445 55.445 54.000 -0.001 0.000 0.833 25 D CB -0.403 40.397 40.800 -0.000 0.000 0.961 25 D HN 0.427 nan 8.370 nan 0.000 0.470 26 A N 0.436 123.254 122.820 -0.004 0.000 1.898 26 A HA -0.101 4.219 4.320 0.001 0.000 0.216 26 A C 2.483 180.063 177.584 -0.007 0.000 1.181 26 A CA 1.063 53.096 52.037 -0.006 0.000 0.620 26 A CB -0.589 18.406 19.000 -0.008 0.000 0.819 26 A HN 0.144 nan 8.150 nan 0.000 0.442 27 V N 1.292 121.202 119.914 -0.007 0.000 2.323 27 V HA -0.231 3.890 4.120 0.001 0.000 0.244 27 V C 2.514 178.605 176.094 -0.006 0.000 1.041 27 V CA 2.153 64.448 62.300 -0.008 0.000 1.025 27 V CB -0.685 31.133 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 1.817 178.415 176.600 -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 31.864 32.500 0.001 0.000 0.750 28 K HN 0.497 nan 8.250 nan 0.000 0.464 29 V N -0.043 119.870 119.914 -0.003 0.000 2.970 29 V HA -0.113 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 1.672 63.970 62.300 -0.003 0.000 1.122 29 V CB -0.979 30.842 31.823 -0.003 0.000 0.721 29 V HN 0.532 nan 8.190 nan 0.000 0.483 30 T N -2.038 112.513 114.554 -0.005 0.000 3.144 30 T HA 0.285 4.636 4.350 0.001 0.000 0.249 30 T C 0.442 175.138 174.700 -0.006 0.000 1.089 30 T CA -0.138 61.958 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 0.383 nan 8.240 nan 0.000 0.540 31 L N 2.601 123.822 121.223 -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 56.316 54.840 -0.001 0.000 0.845 31 L CB -0.399 41.661 42.059 0.002 0.000 1.143 31 L HN 0.652 nan 8.230 nan 0.000 0.452 32 G N 4.601 113.400 108.800 -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 1.344 64.431 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 0.241 120.635 120.400 -0.009 0.000 2.576 34 K HA 0.256 4.577 4.320 0.001 0.000 0.209 34 K C 1.023 177.622 176.600 -0.002 0.000 1.049 34 K CA -0.239 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 1.617 110.415 108.800 -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 0.993 121.491 120.500 -0.004 0.000 2.553 36 R HA 0.223 4.563 4.340 0.001 0.000 0.263 36 R C 0.111 176.408 176.300 -0.006 0.000 1.066 36 R CA -0.778 55.320 56.100 -0.004 0.000 1.135 36 R CB 0.559 30.857 30.300 -0.003 0.000 1.148 36 R HN 0.653 nan 8.270 nan 0.000 0.558 37 N N -0.848 117.849 118.700 -0.006 0.000 2.524 37 N HA 0.302 5.042 4.740 0.001 0.000 0.283 37 N C -0.945 174.561 175.510 -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 39.691 38.487 -0.006 0.000 1.155 37 N HN 0.083 nan 8.380 nan 0.000 0.467 38 V N 1.867 121.776 119.914 -0.008 0.000 2.588 38 V HA 0.327 4.447 4.120 0.001 0.000 0.304 38 V C -0.457 175.631 176.094 -0.010 0.000 1.042 38 V CA -0.811 61.484 62.300 -0.009 0.000 0.877 38 V CB 1.840 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 6.426 126.334 119.914 -0.010 0.000 2.383 39 V HA 0.459 4.580 4.120 0.001 0.000 0.275 39 V C -0.181 175.905 176.094 -0.013 0.000 1.036 39 V CA -0.389 61.905 62.300 -0.010 0.000 0.889 39 V CB 1.358 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 3.866 125.080 121.223 -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 1.522 43.569 42.059 -0.019 0.000 1.227 40 L HN 0.490 nan 8.230 nan 0.000 0.417 41 D N 3.292 123.676 120.400 -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 0.385 54.364 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 0.233 120.602 120.400 -0.052 0.000 2.328 42 K HA 0.219 4.540 4.320 0.001 0.000 0.246 42 K C 1.065 177.581 176.600 -0.141 0.000 0.955 42 K CA -0.580 55.666 56.287 -0.068 0.000 0.817 42 K CB 1.671 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 -0.258 0.000 2.423 43 S HA 0.003 4.473 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 0.685 58.550 58.200 -0.558 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 1.106 121.052 119.950 -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 -0.337 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 -0.633 174.302 174.900 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 0.773 123.617 122.820 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 18.882 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 32.073 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 2.577 123.143 120.570 -0.006 0.000 2.382 49 I HA 0.451 4.621 4.170 0.001 0.000 0.286 49 I C 0.241 176.353 176.117 -0.008 0.000 1.002 49 I CA -0.496 60.800 61.300 -0.006 0.000 1.135 49 I CB 1.866 39.863 38.000 -0.005 0.000 1.288 49 I HN 0.525 nan 8.210 nan 0.000 0.448 50 T N 4.524 119.072 114.554 -0.010 0.000 2.883 50 T HA 0.431 4.782 4.350 0.001 0.000 0.301 50 T C -0.108 174.585 174.700 -0.012 0.000 1.158 50 T CA -0.539 61.555 62.100 -0.011 0.000 1.007 50 T CB 1.788 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 1.527 121.919 120.400 -0.013 0.000 2.506 51 K HA 0.214 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 -0.258 56.021 56.287 -0.012 0.000 1.074 51 K CB 0.579 33.073 32.500 -0.011 0.000 0.842 51 K HN 0.481 nan 8.250 nan 0.000 0.514 52 D N -0.122 120.267 120.400 -0.018 0.000 2.317 52 D HA 0.151 4.792 4.640 0.001 0.000 0.234 52 D C 1.222 177.507 176.300 -0.025 0.000 1.112 52 D CA -0.181 53.804 54.000 -0.024 0.000 0.840 52 D CB 1.380 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 2.411 111.196 108.800 -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 0.823 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 -0.703 31.087 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 1.958 176.544 174.600 -0.024 0.000 1.030 55 S CA 1.571 59.755 58.200 -0.028 0.000 1.002 55 S CB -0.224 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 2.655 178.736 176.094 -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 30.558 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 2.351 179.920 177.584 -0.025 0.000 1.182 57 A CA 2.007 54.030 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 -0.128 4.213 4.340 0.001 0.000 0.243 58 R C 1.482 177.766 176.300 -0.026 0.000 1.145 58 R CA 1.359 57.442 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 0.226 120.411 120.200 -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 -0.074 37.916 38.000 -0.016 0.000 1.408 60 I HN -0.052 nan 8.210 nan 0.000 0.516 61 E N 7.056 127.244 120.200 -0.021 0.000 2.304 61 E HA 0.562 4.913 4.350 0.001 0.000 0.277 61 E C -1.696 174.892 176.600 -0.020 0.000 0.898 61 E CA -0.608 55.779 56.400 -0.023 0.000 0.764 61 E CB 2.146 31.830 29.700 -0.027 0.000 1.216 61 E HN 0.445 nan 8.360 nan 0.000 0.419 62 L N 3.102 124.314 121.223 -0.019 0.000 2.322 62 L HA 0.410 4.751 4.340 0.001 0.000 0.269 62 L C 1.405 178.266 176.870 -0.016 0.000 1.012 62 L CA -0.588 54.244 54.840 -0.013 0.000 0.815 62 L CB 1.609 43.666 42.059 -0.003 0.000 1.295 62 L HN 0.750 nan 8.230 nan 0.000 0.438 63 E N 0.587 120.782 120.200 -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 0.519 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 0.694 176.997 176.300 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 2.074 65 K HA -0.181 4.140 4.320 0.001 0.000 0.209 65 K C 1.909 178.354 176.600 -0.259 0.000 1.048 65 K CA 1.231 57.394 56.287 -0.207 0.000 0.926 65 K CB -0.323 31.956 32.500 -0.367 0.000 0.713 65 K HN 0.501 nan 8.250 nan 0.000 0.444 66 F N 1.674 121.611 119.950 -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 0.092 nan 8.300 nan 0.000 0.483 67 E N -0.009 120.286 120.200 0.158 0.000 2.110 67 E HA -0.257 4.094 4.350 0.001 0.000 0.193 67 E C 1.792 178.414 176.600 0.037 0.000 0.988 67 E CA 1.326 57.775 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 -0.151 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 1.216 54.256 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 -0.844 118.742 119.600 -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 56.974 55.300 -0.019 0.000 1.114 69 M CB -0.556 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 -0.208 108.608 108.800 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 0.081 122.905 122.820 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 4.290 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 1.300 57.093 55.803 -0.017 0.000 0.865 72 Q CB -0.518 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 -0.588 119.009 119.600 -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 56.374 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 0.052 nan 8.290 nan 0.000 0.414 74 V N 0.359 120.276 119.914 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 64.083 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 -0.298 120.095 120.400 -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 1.394 57.668 56.287 -0.022 0.000 0.935 75 K CB -0.032 32.453 32.500 -0.024 0.000 0.728 75 K HN 0.452 nan 8.250 nan 0.000 0.452 76 E N 0.058 120.240 120.200 -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 0.684 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 2.469 178.521 176.094 -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 2.563 180.084 177.584 -0.106 0.000 1.191 78 A CA 2.766 54.767 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 0.093 115.725 115.700 -0.113 0.000 2.370 79 S HA -0.225 4.246 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 1.645 59.769 58.200 -0.127 0.000 1.011 79 S CB -0.405 62.735 63.200 -0.100 0.000 0.852 79 S HN 0.631 nan 8.310 nan 0.000 0.457 80 K N 1.621 121.819 120.400 -0.338 0.000 2.062 80 K HA 0.185 4.506 4.320 0.001 0.000 0.205 80 K C 2.608 178.784 176.600 -0.708 0.000 1.051 80 K CA 1.004 56.908 56.287 -0.639 0.000 0.941 80 K CB -0.512 31.332 32.500 -1.094 0.000 0.719 80 K HN 0.469 nan 8.250 nan 0.000 0.440 81 A N 1.858 124.374 122.820 -0.507 0.000 1.933 81 A HA -0.226 4.094 4.320 0.001 0.000 0.218 81 A C 1.957 179.504 177.584 -0.062 0.000 1.175 81 A CA 1.865 53.823 52.037 -0.131 0.000 0.628 81 A CB -0.613 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 1.836 54.849 53.050 -0.063 0.000 0.848 82 N CB -0.355 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 -0.177 120.185 120.400 -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 55.358 54.000 -0.024 0.000 0.839 83 D CB -0.409 40.355 40.800 -0.060 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 1.664 53.757 52.037 0.095 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 18.778 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 -0.204 174.648 174.900 -0.080 0.000 1.010 86 G CA 0.891 46.160 45.100 0.281 0.000 0.736 86 G HN 0.899 nan 8.290 nan 0.000 0.513 87 D N -2.924 117.493 120.400 0.028 0.000 2.742 87 D HA 0.559 5.200 4.640 0.001 0.000 0.262 87 D C 0.796 177.108 176.300 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 41.035 40.800 0.072 0.000 1.290 87 D HN 1.410 nan 8.370 nan 0.000 0.420 88 G N 0.405 109.211 108.800 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 1.710 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 -3.214 111.336 114.554 -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 64.569 62.100 -0.013 0.000 1.139 89 T CB -0.454 68.391 68.868 -0.037 0.000 0.871 89 T HN 0.304 nan 8.240 nan 0.000 0.454 90 T N 1.847 116.397 114.554 -0.007 0.000 2.777 90 T HA -0.057 4.293 4.350 0.001 0.000 0.266 90 T C 2.235 176.939 174.700 0.006 0.000 1.040 90 T CA 1.735 63.833 62.100 -0.003 0.000 1.141 90 T CB -0.907 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 68.314 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 -0.126 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 2.049 54.114 52.037 0.046 0.000 0.628 92 A CB -1.140 17.899 19.000 0.065 0.000 0.814 92 A HN 0.486 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 63.748 62.100 0.014 0.000 1.139 93 T CB -0.468 68.402 68.868 0.004 0.000 0.871 93 T HN 0.617 nan 8.240 nan 0.000 0.454 94 V N 0.256 120.178 119.914 0.014 0.000 2.719 94 V HA 0.089 4.210 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 1.148 63.455 62.300 0.012 0.000 1.086 94 V CB -0.820 31.009 31.823 0.010 0.000 0.700 94 V HN 0.441 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 0.021 4.362 4.340 0.001 0.000 0.206 95 L C 3.058 179.941 176.870 0.022 0.000 1.074 95 L CA 1.662 56.514 54.840 0.021 0.000 0.745 95 L CB -0.900 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 -0.432 122.404 122.820 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 54.084 52.037 0.026 0.000 0.624 96 A CB -0.700 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 1.864 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 0.818 123.645 122.820 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 1.588 53.631 52.037 0.010 0.000 0.624 98 A CB -0.708 18.298 19.000 0.010 0.000 0.822 98 A HN 0.501 nan 8.150 nan 0.000 0.444 99 I N -0.562 120.016 120.570 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 0.289 120.867 120.570 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 1.520 62.828 61.300 0.013 0.000 1.357 100 I CB -0.564 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 1.366 63.471 62.100 0.008 0.000 1.153 101 T CB -0.181 68.692 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 0.007 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 0.918 57.322 56.400 0.006 0.000 0.818 102 E CB -0.772 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 1.362 110.167 108.800 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 -0.243 120.985 121.223 0.008 0.000 2.201 104 L HA 0.006 4.347 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 0.876 55.721 54.840 0.008 0.000 0.775 104 L CB -0.249 41.814 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 -0.118 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 1.254 57.543 56.287 0.004 0.000 0.935 105 K CB -0.105 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 0.734 123.557 122.820 0.005 0.000 1.930 106 A HA -0.107 4.214 4.320 0.001 0.000 0.217 106 A C 2.248 179.836 177.584 0.005 0.000 1.175 106 A CA 1.250 53.290 52.037 0.005 0.000 0.627 106 A CB -0.482 18.521 19.000 0.005 0.000 0.815 106 A HN 0.081 nan 8.150 nan 0.000 0.443 107 V N -0.186 119.732 119.914 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 0.599 nan 8.190 nan 0.000 0.452 108 A N -0.037 122.786 122.820 0.005 0.000 2.019 108 A HA -0.050 4.270 4.320 0.001 0.000 0.219 108 A C 2.275 179.860 177.584 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 -1.954 120.868 122.820 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 -0.760 18.242 19.000 0.002 0.000 0.790 109 A HN 1.840 nan 8.150 nan 0.000 0.472 110 G N -2.202 106.600 108.800 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 0.112 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 0.870 120.472 119.600 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 3.089 121.793 118.700 0.006 0.000 2.427 112 N HA 0.061 4.802 4.740 0.001 0.000 0.269 112 N C -2.070 173.445 175.510 0.009 0.000 1.235 112 N CA -1.158 51.896 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 1.425 64.532 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 1.502 177.807 176.300 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 0.504 120.908 120.400 0.007 0.000 2.123 115 D HA -0.027 4.614 4.640 0.001 0.000 0.200 115 D C 2.347 178.650 176.300 0.005 0.000 0.976 115 D CA 0.893 54.896 54.000 0.005 0.000 0.831 115 D CB -0.121 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 0.816 122.043 121.223 0.006 0.000 2.012 116 L HA -0.206 4.135 4.340 0.001 0.000 0.210 116 L C 2.540 179.413 176.870 0.006 0.000 1.073 116 L CA 1.307 56.151 54.840 0.006 0.000 0.748 116 L CB -0.353 41.711 42.059 0.007 0.000 0.891 116 L HN -0.007 nan 8.230 nan 0.000 0.431 117 K N 0.294 120.698 120.400 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 1.326 57.617 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 -0.201 120.301 120.500 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 1.730 57.831 56.100 0.001 0.000 0.960 118 R CB -0.571 29.730 30.300 0.002 0.000 0.856 118 R HN 0.393 nan 8.270 nan 0.000 0.436 119 G N 0.913 109.714 108.800 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 0.965 46.065 45.100 0.001 0.000 0.775 119 G HN 0.273 nan 8.290 nan 0.000 0.543 120 I N 0.998 121.569 120.570 0.001 0.000 2.163 120 I HA -0.174 3.997 4.170 0.001 0.000 0.243 120 I C 2.356 178.471 176.117 -0.003 0.000 1.085 120 I CA 1.335 62.636 61.300 0.000 0.000 1.347 120 I CB -0.205 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 0.744 121.141 120.400 -0.004 0.000 2.123 121 D HA -0.220 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 1.255 55.249 54.000 -0.009 0.000 0.833 121 D CB -0.210 40.584 40.800 -0.008 0.000 0.954 121 D HN 0.297 nan 8.370 nan 0.000 0.455 122 K N 0.625 121.021 120.400 -0.006 0.000 2.026 122 K HA -0.098 4.223 4.320 0.001 0.000 0.208 122 K C 2.041 178.638 176.600 -0.006 0.000 1.048 122 K CA 1.273 57.557 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 0.640 123.458 122.820 -0.004 0.000 1.908 123 A HA -0.124 4.197 4.320 0.001 0.000 0.218 123 A C 2.232 179.813 177.584 -0.006 0.000 1.181 123 A CA 1.745 53.780 52.037 -0.003 0.000 0.627 123 A CB -0.677 18.323 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 -0.211 3.909 4.120 0.001 0.000 0.248 124 V C 2.724 178.806 176.094 -0.019 0.000 1.051 124 V CA 2.398 64.689 62.300 -0.016 0.000 1.048 124 V CB -1.200 30.609 31.823 -0.023 0.000 0.666 124 V HN 0.609 nan 8.190 nan 0.000 0.456 125 T N 0.114 114.657 114.554 -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 63.911 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 -0.116 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 -1.200 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 -0.054 122.763 122.820 -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 2.122 54.157 52.037 -0.003 0.000 0.627 127 A CB -0.673 18.325 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 2.281 64.574 62.300 -0.013 0.000 1.035 128 V CB -0.868 30.941 31.823 -0.024 0.000 0.658 128 V HN 0.652 nan 8.190 nan 0.000 0.452 129 E N -0.059 120.136 120.200 -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 1.468 57.865 56.400 -0.005 0.000 0.799 129 E CB -0.159 29.538 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 1.781 178.385 176.600 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 0.617 121.842 121.223 0.004 0.000 2.093 131 L HA -0.051 4.290 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 -0.916 119.486 120.400 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 2.023 179.613 177.584 0.009 0.000 1.176 133 A CA 1.332 53.373 52.037 0.006 0.000 0.631 133 A CB -0.583 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 -0.513 120.717 121.223 0.011 0.000 2.418 134 L HA 0.036 4.376 4.340 0.001 0.000 0.218 134 L C 1.378 178.257 176.870 0.014 0.000 1.125 134 L CA 0.094 54.943 54.840 0.014 0.000 0.835 134 L CB -0.412 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 -0.292 115.415 115.700 0.012 0.000 2.546 135 S HA 0.135 4.605 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 0.975 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 6.666 126.587 119.914 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 33.669 31.700 0.008 0.000 3.188 138 C N 1.462 120.765 119.300 0.005 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 59.299 59.018 0.004 0.000 1.402 138 C CB -1.623 26.119 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 0.557 175.160 174.600 0.004 0.000 1.066 139 S CA 0.245 58.448 58.200 0.004 0.000 0.941 139 S CB -0.093 63.110 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 0.965 177.267 176.300 0.003 0.000 1.134 140 D CA 0.346 54.348 54.000 0.004 0.000 0.930 140 D CB 1.080 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 1.000 116.701 115.700 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 1.752 122.153 120.400 0.002 0.000 2.025 142 K HA 0.008 4.328 4.320 0.001 0.000 0.207 142 K C 2.394 178.995 176.600 0.001 0.000 1.049 142 K CA 1.138 57.426 56.287 0.001 0.000 0.933 142 K CB -0.661 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 1.564 124.386 122.820 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 1.581 53.620 52.037 0.003 0.000 0.620 143 A CB -0.643 18.360 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 1.106 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 0.256 123.076 122.820 0.000 0.000 1.877 145 A HA -0.256 4.064 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 1.584 53.621 52.037 -0.000 0.000 0.620 145 A CB -0.649 18.350 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 -0.149 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 1.928 57.729 55.803 -0.002 0.000 0.843 146 Q CB -0.434 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 -0.522 108.281 108.800 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 1.583 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 1.455 116.008 114.554 -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 -0.203 68.661 68.868 -0.006 0.000 0.864 149 T HN 0.248 nan 8.240 nan 0.000 0.427 150 I N 1.319 121.885 120.570 -0.006 0.000 2.264 150 I HA -0.164 4.007 4.170 0.001 0.000 0.248 150 I C 2.396 178.510 176.117 -0.005 0.000 1.111 150 I CA 1.064 62.358 61.300 -0.009 0.000 1.382 150 I CB -0.346 37.649 38.000 -0.009 0.000 1.060 150 I HN 0.187 nan 8.210 nan 0.000 0.418 151 S N 0.477 116.178 115.700 0.001 0.000 2.522 151 S HA 0.112 4.583 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 0.055 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 -0.484 118.210 118.700 -0.009 0.000 2.783 153 N HA -0.220 4.520 4.740 0.001 0.000 0.247 153 N C 0.215 175.716 175.510 -0.015 0.000 1.089 153 N CA 1.112 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 -1.762 113.929 115.700 -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 1.117 177.414 176.300 -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 1.169 121.365 120.200 -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 0.911 57.307 56.400 -0.005 0.000 0.830 156 E CB 0.319 30.016 29.700 -0.006 0.000 0.751 156 E HN 0.464 nan 8.360 nan 0.000 0.491 157 T N 0.755 115.307 114.554 -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 63.365 62.100 -0.002 0.000 1.155 157 T CB -0.261 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 1.541 121.454 119.914 -0.001 0.000 2.380 158 V HA -0.161 3.959 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 1.963 64.263 62.300 0.001 0.000 1.055 158 V CB -1.465 30.359 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 3.630 3.960 0.001 0.000 0.217 159 G HA3 -0.330 3.630 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 1.142 46.242 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 0.025 4.346 4.320 0.001 0.000 0.208 160 K C 2.540 179.140 176.600 -0.000 0.000 1.048 160 K CA 0.868 57.154 56.287 -0.001 0.000 0.929 160 K CB -0.316 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 1.002 122.225 121.223 -0.000 0.000 1.971 161 L HA -0.266 4.074 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 1.687 56.527 54.840 0.000 0.000 0.758 161 L CB -0.465 41.594 42.059 0.001 0.000 0.889 161 L HN 0.280 nan 8.230 nan 0.000 0.433 162 I N -0.448 120.122 120.570 0.001 0.000 2.194 162 I HA -0.336 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 1.276 62.576 61.300 0.000 0.000 1.355 162 I CB -0.523 37.478 38.000 0.002 0.000 1.046 162 I HN 0.272 nan 8.210 nan 0.000 0.413 163 A N 0.524 123.344 122.820 -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 53.785 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 -0.207 119.993 120.200 -0.001 0.000 2.072 164 E HA -0.060 4.291 4.350 0.001 0.000 0.191 164 E C 2.321 178.921 176.600 -0.001 0.000 0.985 164 E CA 0.827 57.226 56.400 -0.001 0.000 0.801 164 E CB -0.302 29.398 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 1.398 53.433 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 -1.113 118.485 119.600 -0.004 0.000 2.394 166 M HA -0.091 4.390 4.480 0.001 0.000 0.264 166 M C 1.644 177.942 176.300 -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 0.589 120.988 120.400 -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 55.030 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 0.001 120.400 120.400 -0.001 0.000 1.980 168 K HA -0.012 4.309 4.320 0.001 0.000 0.208 168 K C 2.026 178.627 176.600 0.000 0.000 1.043 168 K CA 1.332 57.618 56.287 -0.000 0.000 0.938 168 K CB -0.797 31.703 32.500 -0.001 0.000 0.724 168 K HN 0.246 nan 8.250 nan 0.000 0.438 169 V N -1.714 118.199 119.914 -0.001 0.000 3.633 169 V HA 0.339 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 62.521 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 1.990 110.789 108.800 -0.001 0.000 2.716 170 G HA2 -0.206 3.754 3.960 0.001 0.000 0.686 170 G HA3 -0.206 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 -0.145 120.252 120.400 -0.004 0.000 2.515 171 K HA 0.043 4.363 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 0.429 nan 8.250 nan 0.000 0.483 172 E N 1.207 121.401 120.200 -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 1.026 109.819 108.800 -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 0.146 175.029 174.900 -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 0.481 120.376 119.914 -0.032 0.000 2.546 174 V HA 0.427 4.548 4.120 0.001 0.000 0.284 174 V C 0.284 176.361 176.094 -0.028 0.000 1.050 174 V CA 0.067 62.342 62.300 -0.041 0.000 0.981 174 V CB 0.834 32.623 31.823 -0.056 0.000 0.990 174 V HN 0.451 nan 8.190 nan 0.000 0.474 175 I N 3.493 124.046 120.570 -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 2.602 40.593 38.000 -0.015 0.000 1.242 175 I HN 0.585 nan 8.210 nan 0.000 0.421 176 T N 4.311 118.860 114.554 -0.008 0.000 2.901 176 T HA 0.684 5.034 4.350 0.001 0.000 0.293 176 T C -0.765 173.935 174.700 0.001 0.000 1.084 176 T CA -0.713 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 -0.788 119.129 119.914 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 1.990 122.192 120.200 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 1.822 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 0.997 121.398 120.400 0.001 0.000 2.472 179 D HA 0.106 4.747 4.640 0.001 0.000 0.237 179 D C 0.172 176.473 176.300 0.000 0.000 1.141 179 D CA 0.475 54.476 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 0.246 4.206 3.960 0.001 0.000 0.275 180 G HA3 0.246 4.206 3.960 0.001 0.000 0.275 180 G C 1.119 176.019 174.900 -0.001 0.000 1.196 180 G CA -0.232 44.868 45.100 -0.000 0.000 0.908 180 G HN 0.443 nan 8.290 nan 0.000 0.524 181 T N -2.908 111.645 114.554 -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 4.308 3.960 0.001 0.000 0.573 182 G HA3 0.347 4.308 3.960 0.001 0.000 0.573 182 G C -0.830 174.069 174.900 -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 0.916 122.139 121.223 -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 2.213 57.053 54.840 -0.001 0.000 1.219 183 L CB -0.737 41.321 42.059 -0.001 0.000 0.252 183 L HN 1.980 nan 8.230 nan 0.000 0.192 184 Q N 1.970 121.770 119.800 -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 0.989 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 0.674 nan 8.270 nan 0.000 0.322 185 D N 2.542 122.942 120.400 -0.001 0.000 2.329 185 D HA 0.312 4.953 4.640 0.001 0.000 0.246 185 D C -0.100 176.200 176.300 -0.001 0.000 1.111 185 D CA 0.040 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 0.050 120.250 120.200 -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 4.161 125.383 121.223 -0.001 0.000 2.406 187 L HA 0.440 4.781 4.340 0.001 0.000 0.270 187 L C -1.828 175.041 176.870 -0.001 0.000 0.982 187 L CA -0.305 54.534 54.840 -0.001 0.000 0.843 187 L CB 1.155 43.214 42.059 -0.001 0.000 1.225 187 L HN 0.491 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 5.001 4.640 0.001 0.000 0.227 188 D C -1.040 175.259 176.300 -0.001 0.000 1.192 188 D CA -0.472 53.528 54.000 -0.001 0.000 0.857 188 D CB 2.239 43.038 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 -0.595 61.705 62.300 0.000 0.000 0.915 189 V CB 0.899 32.723 31.823 0.002 0.000 0.988 189 V HN 0.588 nan 8.190 nan 0.000 0.466 190 V N 1.941 121.855 119.914 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 33.821 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 0.924 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 -0.230 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 -0.363 119.271 119.600 0.058 0.000 2.643 193 M HA 0.684 5.165 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 -0.595 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 -0.018 119.924 119.950 -0.012 0.000 2.593 195 F HA 0.530 5.058 4.527 0.001 0.000 0.320 195 F C -0.440 175.351 175.800 -0.016 0.000 1.060 195 F CA -1.295 56.699 58.000 -0.011 0.000 0.940 195 F CB 0.983 39.980 39.000 -0.006 0.000 1.268 195 F HN 0.271 nan 8.300 nan 0.000 0.475 196 D N 3.451 123.919 120.400 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 0.320 nan 8.370 nan 0.000 0.502 197 R N 0.659 121.091 120.500 -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 1.156 109.834 108.800 -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 -0.555 174.202 174.900 -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 -1.183 119.126 120.300 0.015 0.000 2.702 199 Y HA 0.259 4.809 4.550 0.001 0.000 0.336 199 Y C 1.147 177.131 175.900 0.140 0.000 1.235 199 Y CA -0.993 57.150 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 2.845 124.299 121.223 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 41.154 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 4.724 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 0.902 64.218 63.200 0.193 0.000 1.125 201 S HN -0.257 nan 8.310 nan 0.000 0.464 202 P HA 0.422 nan 4.420 nan 0.000 0.321 202 P C 0.323 177.329 177.300 -0.490 0.000 1.338 202 P CA 0.536 63.257 63.100 -0.630 0.000 0.764 202 P CB -0.125 31.184 31.700 -0.652 0.000 1.641 203 Y N -4.892 115.213 120.300 -0.326 0.000 2.802 203 Y HA -0.304 4.247 4.550 0.001 0.000 0.485 203 Y C 1.869 177.623 175.900 -0.245 0.000 1.190 203 Y CA 1.498 59.418 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 1.450 177.195 175.800 -0.091 0.000 1.076 204 F CA 0.771 58.751 58.000 -0.035 0.000 1.383 204 F CB -0.583 38.405 39.000 -0.021 0.000 1.055 204 F HN -0.004 nan 8.300 nan 0.000 0.526 205 I N 2.550 123.088 120.570 -0.052 0.000 2.680 205 I HA -0.147 4.024 4.170 0.001 0.000 0.286 205 I C 0.868 176.976 176.117 -0.016 0.000 1.144 205 I CA 0.185 61.433 61.300 -0.087 0.000 1.370 205 I CB -0.092 37.781 38.000 -0.213 0.000 1.420 205 I HN 0.184 nan 8.210 nan 0.000 0.540 206 N N 5.307 124.021 118.700 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 0.275 53.340 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 0.002 0.000 1.036 207 K CA -1.742 54.550 56.287 0.007 0.000 1.029 207 K CB 2.031 34.539 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 64.243 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 1.619 178.225 176.600 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 28.644 29.700 0.004 0.000 0.746 209 E HN 0.264 nan 8.360 nan 0.000 0.452 210 T N -1.379 113.185 114.554 0.016 0.000 3.054 210 T HA 0.275 4.625 4.350 0.001 0.000 0.255 210 T C 1.086 175.811 174.700 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 69.571 68.868 0.026 0.000 1.026 210 T HN 0.337 nan 8.240 nan 0.000 0.533 211 G N 1.808 110.627 108.800 0.031 0.000 2.258 211 G HA2 -0.058 3.902 3.960 0.001 0.000 0.274 211 G HA3 -0.058 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 45.406 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 -0.249 177.387 177.584 0.087 0.000 1.165 212 A CA -0.237 51.880 52.037 0.134 0.000 0.814 212 A CB 1.961 21.018 19.000 0.095 0.000 1.357 212 A HN 1.146 nan 8.150 nan 0.000 0.443 213 V N 0.764 120.749 119.914 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 33.208 31.823 0.119 0.000 0.985 213 V HN 0.915 nan 8.190 nan 0.000 0.438 214 E N 4.249 124.471 120.200 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 1.709 31.417 29.700 0.014 0.000 1.164 214 E HN 0.631 nan 8.360 nan 0.000 0.414 215 L N 3.142 124.366 121.223 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 1.023 121.205 120.200 -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 -0.583 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 1.962 117.607 115.700 -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 58.536 58.200 -0.152 0.000 1.229 217 S CB -1.404 61.710 63.200 -0.145 0.000 0.917 217 S HN 0.491 nan 8.310 nan 0.000 0.496 218 P HA 0.589 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 62.224 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 -0.089 119.866 119.950 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 39.644 39.000 0.006 0.000 1.189 219 F HN 0.019 nan 8.300 nan 0.000 0.515 220 I N 4.493 125.195 120.570 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 0.092 0.000 1.019 220 I CA -0.860 60.513 61.300 0.121 0.000 1.130 220 I CB 1.475 39.527 38.000 0.088 0.000 1.262 220 I HN 0.267 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 -0.647 176.237 176.870 0.024 0.000 1.092 221 L CA 0.266 55.128 54.840 0.037 0.000 0.831 221 L CB 0.488 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 0.545 4.885 4.340 0.001 0.000 0.258 222 L C 0.199 177.065 176.870 -0.007 0.000 1.088 222 L CA -0.382 54.456 54.840 -0.003 0.000 0.975 222 L CB 0.555 42.606 42.059 -0.013 0.000 1.341 222 L HN 0.792 nan 8.230 nan 0.000 0.431 223 A N 0.802 123.622 122.820 -0.001 0.000 2.276 223 A HA 0.276 4.597 4.320 0.001 0.000 0.300 223 A C -0.033 177.549 177.584 -0.003 0.000 1.235 223 A CA -0.423 51.614 52.037 -0.001 0.000 0.867 223 A CB 0.452 19.456 19.000 0.007 0.000 1.137 223 A HN 0.597 nan 8.150 nan 0.000 0.527 224 D N 2.314 122.710 120.400 -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 54.138 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 -0.886 119.519 120.400 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 -0.178 nan 8.250 nan 0.000 0.362 226 K N 0.923 121.339 120.400 0.026 0.000 2.185 226 K HA 0.425 4.746 4.320 0.001 0.000 0.271 226 K C -0.493 176.125 176.600 0.029 0.000 1.013 226 K CA -0.478 55.828 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 1.943 122.534 120.570 0.035 0.000 2.411 227 I HA 0.077 4.247 4.170 0.001 0.000 0.284 227 I C 0.290 176.430 176.117 0.038 0.000 1.012 227 I CA -0.096 61.224 61.300 0.034 0.000 1.119 227 I CB 1.825 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 3.317 119.036 115.700 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 -0.035 58.184 58.200 0.032 0.000 0.926 228 S CB 0.236 63.453 63.200 0.027 0.000 0.811 228 S HN 0.583 nan 8.310 nan 0.000 0.518 229 N N 1.968 120.683 118.700 0.024 0.000 2.434 229 N HA 0.290 5.031 4.740 0.001 0.000 0.272 229 N C 0.533 176.056 175.510 0.021 0.000 1.040 229 N CA -0.093 52.969 53.050 0.020 0.000 0.956 229 N CB 1.752 40.248 38.487 0.015 0.000 1.108 229 N HN 0.172 nan 8.380 nan 0.000 0.481 230 I N 2.913 123.496 120.570 0.021 0.000 2.454 230 I HA -0.239 3.932 4.170 0.001 0.000 0.254 230 I C 1.991 178.118 176.117 0.017 0.000 1.156 230 I CA 1.063 62.377 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 0.432 nan 8.210 nan 0.000 0.432 231 R N 0.901 121.409 120.500 0.013 0.000 2.134 231 R HA -0.268 4.073 4.340 0.001 0.000 0.248 231 R C 2.024 178.329 176.300 0.007 0.000 1.143 231 R CA 2.393 58.498 56.100 0.009 0.000 0.957 231 R CB -0.651 29.654 30.300 0.007 0.000 0.867 231 R HN 0.564 nan 8.270 nan 0.000 0.441 232 E N -0.086 120.120 120.200 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 1.193 57.597 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 0.282 nan 8.360 nan 0.000 0.458 233 M N 0.250 119.856 119.600 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 -0.853 31.761 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 2.118 56.961 54.840 0.005 0.000 0.799 234 L CB -2.709 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 1.599 64.690 63.100 -0.015 0.000 0.863 235 P CB 0.004 31.695 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 2.882 178.954 176.094 -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 4.135 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 1.742 56.587 54.840 0.009 0.000 0.752 237 L CB -0.575 41.496 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 2.320 178.911 176.600 -0.014 0.000 0.982 238 E CA 0.932 57.330 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 1.040 123.837 122.820 -0.039 0.000 1.972 239 A HA -0.124 4.197 4.320 0.001 0.000 0.219 239 A C 2.382 179.916 177.584 -0.082 0.000 1.169 239 A CA 1.064 53.058 52.037 -0.071 0.000 0.635 239 A CB -0.342 18.591 19.000 -0.111 0.000 0.810 239 A HN 0.119 nan 8.150 nan 0.000 0.446 240 V N -0.616 119.262 119.914 -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 1.117 63.426 62.300 0.016 0.000 1.109 240 V CB -0.810 31.051 31.823 0.064 0.000 0.724 240 V HN 0.579 nan 8.190 nan 0.000 0.471 241 A N 0.087 122.935 122.820 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 0.543 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 56.452 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 1.120 178.777 177.584 0.122 0.000 1.036 243 A CA 1.481 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 1.357 nan 8.150 nan 0.000 0.887 244 G N -0.984 107.876 108.800 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 1.480 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 0.519 120.977 120.400 0.097 0.000 2.316 245 K HA 0.510 4.831 4.320 0.001 0.000 0.251 245 K C -2.276 174.367 176.600 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 35.281 32.500 -0.211 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 -1.140 176.211 177.300 0.086 0.000 1.246 246 P CA -0.566 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 -1.287 175.611 176.870 0.047 0.000 0.998 247 L CA -0.979 53.927 54.840 0.111 0.000 0.820 247 L CB 1.539 43.670 42.059 0.120 0.000 1.270 247 L HN 0.167 nan 8.230 nan 0.000 0.415 248 L N 6.188 127.441 121.223 0.050 0.000 2.298 248 L HA 0.584 4.924 4.340 0.001 0.000 0.284 248 L C -1.128 175.755 176.870 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 0.064 176.195 176.117 0.023 0.000 1.033 249 I CA -0.057 61.248 61.300 0.007 0.000 1.253 249 I CB 0.884 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 6.228 126.822 120.570 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 61.162 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 3.081 125.920 122.820 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 -0.462 51.590 52.037 0.025 0.000 0.900 251 A CB 0.925 19.943 19.000 0.029 0.000 1.319 251 A HN 0.633 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 4.230 4.350 0.001 0.000 0.196 252 E C -0.518 176.113 176.600 0.051 0.000 0.993 252 E CA 1.482 57.904 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 -2.285 118.145 120.400 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 1.117 41.952 40.800 0.058 0.000 1.934 253 D HN -0.133 nan 8.370 nan 0.000 0.458 254 V N 3.064 123.023 119.914 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 61.764 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 0.068 0.000 2.345 255 E HA 0.387 4.737 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 0.149 56.586 56.400 0.062 0.000 0.913 255 E CB 1.081 30.809 29.700 0.048 0.000 1.057 255 E HN 0.672 nan 8.360 nan 0.000 0.432 256 G N 1.781 110.614 108.800 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 58.588 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 0.916 123.761 122.820 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 1.756 53.825 52.037 0.053 0.000 0.620 258 A CB -0.841 18.192 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 -0.118 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 -1.675 121.170 122.820 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 0.454 115.014 114.554 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 1.443 63.548 62.100 0.009 0.000 1.144 261 T CB -0.417 68.465 68.868 0.023 0.000 0.866 261 T HN 0.391 nan 8.240 nan 0.000 0.434 262 L N 0.889 122.157 121.223 0.074 0.000 2.042 262 L HA -0.112 4.229 4.340 0.001 0.000 0.210 262 L C 2.680 179.610 176.870 0.099 0.000 1.076 262 L CA 0.976 55.902 54.840 0.144 0.000 0.749 262 L CB -0.869 41.353 42.059 0.272 0.000 0.893 262 L HN 0.151 nan 8.230 nan 0.000 0.432 263 V N -0.761 119.131 119.914 -0.037 0.000 2.343 263 V HA -0.229 3.892 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 1.508 63.646 62.300 -0.269 0.000 1.036 263 V CB -0.282 31.317 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 64.503 62.300 -0.128 0.000 1.025 264 V CB -0.951 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 0.714 119.398 118.700 -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 -1.056 113.522 114.554 0.040 0.000 3.051 266 T HA -0.057 4.294 4.350 0.001 0.000 0.269 266 T C 1.635 176.349 174.700 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 0.784 120.367 119.600 -0.027 0.000 2.447 267 M HA 0.287 4.768 4.480 0.001 0.000 0.264 267 M C 1.720 178.001 176.300 -0.032 0.000 1.095 267 M CA 0.959 56.227 55.300 -0.054 0.000 1.125 267 M CB -0.007 32.516 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 1.021 177.322 176.300 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 2.196 269 G HA2 -0.312 3.649 3.960 0.001 0.000 0.268 269 G HA3 -0.312 3.649 3.960 0.001 0.000 0.268 269 G C 0.379 175.293 174.900 0.023 0.000 0.975 269 G CA 0.095 45.206 45.100 0.019 0.000 0.648 269 G HN 0.373 nan 8.290 nan 0.000 0.538 270 I N 1.777 122.359 120.570 0.021 0.000 2.455 270 I HA 0.330 4.501 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 -0.138 61.177 61.300 0.024 0.000 1.469 270 I CB -0.227 37.783 38.000 0.017 0.000 1.480 270 I HN 0.151 nan 8.210 nan 0.000 0.669 271 V N 4.287 124.226 119.914 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 56.092 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 1.510 121.491 119.914 0.112 0.000 2.760 273 V HA 0.810 4.931 4.120 0.001 0.000 0.309 273 V C -0.858 175.232 176.094 -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 33.906 31.823 0.084 0.000 1.008 273 V HN 0.760 nan 8.190 nan 0.000 0.424 274 A N 2.974 125.656 122.820 -0.232 0.000 2.386 274 A HA 1.016 5.337 4.320 0.001 0.000 0.311 274 A C -0.451 176.780 177.584 -0.590 0.000 1.068 274 A CA -0.273 51.312 52.037 -0.754 0.000 0.743 274 A CB 1.866 20.610 19.000 -0.428 0.000 1.258 274 A HN 1.551 nan 8.150 nan 0.000 0.429 275 A N 0.918 123.245 122.820 -0.822 0.000 2.365 275 A HA 0.842 5.162 4.320 0.001 0.000 0.318 275 A C -0.413 177.092 177.584 -0.130 0.000 1.091 275 A CA -0.121 51.745 52.037 -0.286 0.000 0.763 275 A CB 1.297 20.230 19.000 -0.111 0.000 1.248 275 A HN 2.306 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 -1.219 61.116 62.300 0.059 0.000 0.964 276 V CB 1.474 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 1.991 122.462 120.400 0.118 0.000 2.276 277 K HA 0.661 4.982 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 56.662 56.287 0.116 0.000 0.927 277 K CB 1.072 33.632 32.500 0.100 0.000 0.969 277 K HN 1.133 nan 8.250 nan 0.000 0.490 278 A N 3.330 126.197 122.820 0.079 0.000 2.371 278 A HA 0.272 4.592 4.320 0.001 0.000 0.257 278 A C -2.096 175.498 177.584 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 2.159 111.034 108.800 0.125 0.000 2.697 280 G HA2 -0.044 3.917 3.960 0.001 0.000 0.240 280 G HA3 -0.044 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 0.780 nan 8.290 nan 0.000 0.569 281 F N -2.832 117.127 119.950 0.016 0.000 2.741 281 F HA 0.798 5.325 4.527 0.001 0.000 0.313 281 F C 0.948 176.759 175.800 0.018 0.000 1.153 281 F CA 0.319 58.329 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 1.336 110.051 108.800 -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 0.304 175.090 174.900 -0.189 0.000 1.190 282 G CA 0.621 45.580 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 1.760 55.680 54.000 -0.133 0.000 0.829 283 D CB -0.388 40.347 40.800 -0.108 0.000 0.983 283 D HN 0.733 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 -0.161 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 1.322 57.336 56.100 -0.143 0.000 0.988 284 R CB -0.530 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 1.608 122.036 120.500 -0.120 0.000 2.094 285 R HA -0.168 4.173 4.340 0.001 0.000 0.239 285 R C 1.731 177.987 176.300 -0.074 0.000 1.137 285 R CA 2.255 58.310 56.100 -0.074 0.000 0.943 285 R CB -0.129 30.149 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 1.473 57.725 56.287 -0.059 0.000 0.931 286 K CB -0.220 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 -1.052 118.494 119.600 -0.091 0.000 2.200 288 M HA 0.011 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 1.085 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 1.321 56.081 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 -0.081 119.672 119.800 -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 1.633 57.402 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 1.799 178.067 176.300 -0.054 0.000 0.990 291 D CA 1.315 55.281 54.000 -0.056 0.000 0.839 291 D CB -0.023 40.740 40.800 -0.063 0.000 0.948 291 D HN 0.393 nan 8.370 nan 0.000 0.460 292 I N 1.207 121.729 120.570 -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 0.772 123.571 122.820 -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 2.557 54.584 52.037 -0.017 0.000 0.617 293 A CB -1.212 17.776 19.000 -0.021 0.000 0.827 293 A HN 0.368 nan 8.150 nan 0.000 0.443 294 T N 0.309 114.854 114.554 -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 1.306 63.401 62.100 -0.009 0.000 1.136 294 T CB -0.229 68.630 68.868 -0.014 0.000 0.864 294 T HN 0.288 nan 8.240 nan 0.000 0.467 295 L N 1.751 122.972 121.223 -0.003 0.000 2.095 295 L HA 0.011 4.351 4.340 0.001 0.000 0.204 295 L C 2.399 179.276 176.870 0.013 0.000 1.080 295 L CA 2.116 56.959 54.840 0.005 0.000 0.759 295 L CB -1.280 40.783 42.059 0.008 0.000 0.914 295 L HN 0.412 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 -0.015 3.946 3.960 0.001 0.000 0.265 297 G HA3 -0.015 3.946 3.960 0.001 0.000 0.265 297 G C 0.366 175.285 174.900 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 -0.411 174.494 174.900 0.008 0.000 1.345 298 G CA 0.218 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 0.103 114.658 114.554 0.003 0.000 2.881 299 T HA 0.393 4.744 4.350 0.001 0.000 0.291 299 T C -0.149 174.545 174.700 -0.009 0.000 0.990 299 T CA -0.291 61.806 62.100 -0.006 0.000 0.976 299 T CB 1.658 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 4.655 124.560 119.914 -0.014 0.000 2.585 300 V HA 0.191 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 -0.017 62.273 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 0.467 176.579 176.117 -0.009 0.000 1.107 301 I CA 0.109 61.403 61.300 -0.010 0.000 1.219 301 I CB 0.537 38.532 38.000 -0.009 0.000 1.455 301 I HN 0.723 nan 8.210 nan 0.000 0.498 302 S N 2.592 118.286 115.700 -0.010 0.000 2.525 302 S HA 0.371 4.842 4.470 0.001 0.000 0.290 302 S C 0.642 175.239 174.600 -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 65.200 63.200 -0.011 0.000 1.027 302 S HN 0.531 nan 8.310 nan 0.000 0.500 303 E N 1.236 121.434 120.200 -0.003 0.000 2.347 303 E HA -0.111 4.240 4.350 0.001 0.000 0.196 303 E C 1.301 177.899 176.600 -0.003 0.000 1.008 303 E CA 0.691 57.090 56.400 -0.002 0.000 0.852 303 E CB -0.055 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 -0.150 4.201 4.350 0.001 0.000 0.195 304 E C 1.364 177.960 176.600 -0.006 0.000 0.991 304 E CA 0.793 57.190 56.400 -0.006 0.000 0.810 304 E CB 0.014 29.709 29.700 -0.008 0.000 0.742 304 E HN 0.334 nan 8.360 nan 0.000 0.466 305 I N 0.179 120.745 120.570 -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 2.175 110.972 108.800 -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 0.031 174.928 174.900 -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 -0.272 119.325 119.600 -0.006 0.000 2.363 307 M HA 0.504 4.985 4.480 0.001 0.000 0.343 307 M C 0.247 176.543 176.300 -0.006 0.000 1.165 307 M CA -0.351 54.945 55.300 -0.007 0.000 1.046 307 M CB 1.666 34.261 32.600 -0.008 0.000 1.648 307 M HN 0.242 nan 8.290 nan 0.000 0.452 308 E N 1.835 122.031 120.200 -0.007 0.000 2.227 308 E HA 0.325 4.676 4.350 0.001 0.000 0.268 308 E C 0.205 176.800 176.600 -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 1.547 122.767 121.223 -0.006 0.000 2.201 309 L HA -0.166 4.174 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 0.681 120.875 120.200 -0.009 0.000 2.110 310 E HA -0.148 4.202 4.350 0.001 0.000 0.193 310 E C 0.930 177.521 176.600 -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 0.436 4.756 4.320 0.001 0.000 0.259 311 K C -0.810 175.776 176.600 -0.022 0.000 1.282 311 K CA -0.208 56.069 56.287 -0.017 0.000 1.259 311 K CB 0.766 33.258 32.500 -0.014 0.000 1.546 311 K HN -0.023 nan 8.250 nan 0.000 0.384 312 A N 1.206 124.008 122.820 -0.029 0.000 2.335 312 A HA 0.409 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 51.323 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 1.057 175.673 174.700 -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 0.014 121.113 121.223 -0.207 0.000 2.551 314 L HA -0.042 4.299 4.340 0.001 0.000 0.230 314 L C 2.666 179.405 176.870 -0.219 0.000 1.163 314 L CA 1.294 55.916 54.840 -0.362 0.000 0.826 314 L CB -0.583 41.193 42.059 -0.471 0.000 0.943 314 L HN 0.861 nan 8.230 nan 0.000 0.452 315 E N 0.066 120.199 120.200 -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 0.576 56.947 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 0.284 120.657 120.400 -0.046 0.000 2.194 316 D HA -0.053 4.587 4.640 0.001 0.000 0.204 316 D C 0.315 176.607 176.300 -0.012 0.000 0.964 316 D CA 0.290 54.274 54.000 -0.027 0.000 0.846 316 D CB 0.137 40.917 40.800 -0.032 0.000 0.962 316 D HN 0.130 nan 8.370 nan 0.000 0.490 317 L N 1.178 122.384 121.223 -0.030 0.000 2.485 317 L HA 0.198 4.538 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 0.334 55.188 54.840 0.022 0.000 0.855 317 L CB 0.408 42.449 42.059 -0.030 0.000 1.114 317 L HN -0.143 nan 8.230 nan 0.000 0.485 318 G N 1.487 110.355 108.800 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 -1.982 117.874 119.800 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 0.001 0.000 0.989 319 Q CA -0.744 55.083 55.803 0.040 0.000 0.864 319 Q CB 2.030 30.787 28.738 0.030 0.000 1.444 319 Q HN 1.049 nan 8.270 nan 0.000 0.388 320 A N 2.141 124.942 122.820 -0.032 0.000 2.572 320 A HA 0.440 4.761 4.320 0.001 0.000 0.295 320 A C -0.469 177.086 177.584 -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 0.095 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 -0.290 120.194 120.500 -0.026 0.000 2.634 322 R HA 0.202 4.543 4.340 0.001 0.000 0.263 322 R C -2.049 174.244 176.300 -0.012 0.000 1.060 322 R CA -0.612 55.476 56.100 -0.021 0.000 0.898 322 R CB 1.806 32.096 30.300 -0.017 0.000 1.253 322 R HN -0.060 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 -1.287 174.800 176.094 -0.012 0.000 1.077 323 V CA -0.697 61.598 62.300 -0.008 0.000 0.910 323 V CB 2.028 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 5.645 125.544 119.914 -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 1.771 33.585 31.823 -0.016 0.000 0.999 324 V HN 1.064 nan 8.190 nan 0.000 0.426 325 I N 0.978 121.546 120.570 -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 -0.544 60.745 61.300 -0.020 0.000 1.062 325 I CB 1.988 39.986 38.000 -0.005 0.000 1.238 325 I HN 0.426 nan 8.210 nan 0.000 0.426 326 N N 4.825 123.496 118.700 -0.050 0.000 2.531 326 N HA 0.204 4.945 4.740 0.001 0.000 0.301 326 N C 0.717 175.997 175.510 -0.384 0.000 1.310 326 N CA -0.601 52.424 53.050 -0.042 0.000 0.949 326 N CB 0.638 39.080 38.487 -0.075 0.000 1.111 326 N HN 0.686 nan 8.380 nan 0.000 0.565 327 K N 0.121 120.302 120.400 -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 1.609 57.498 56.287 -0.663 0.000 0.945 327 K CB 0.001 32.399 32.500 -0.171 0.000 0.732 327 K HN 0.599 nan 8.250 nan 0.000 0.451 328 D N -1.070 119.133 120.400 -0.329 0.000 2.996 328 D HA 0.123 4.764 4.640 0.001 0.000 0.343 328 D C -1.065 175.115 176.300 -0.198 0.000 1.574 328 D CA -0.497 53.362 54.000 -0.234 0.000 0.773 328 D CB 0.845 41.555 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 2.085 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 2.297 116.513 114.554 -0.563 0.000 2.812 330 T HA 0.656 5.007 4.350 0.001 0.000 0.282 330 T C -0.532 173.850 174.700 -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 69.866 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 -0.632 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 39.001 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 54.944 54.000 0.002 0.000 1.147 334 D CB -0.114 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 1.213 110.018 108.800 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 1.334 176.239 174.900 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 1.964 121.884 119.914 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 1.166 63.473 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 0.957 109.766 108.800 0.015 0.000 2.341 337 G HA2 -0.064 3.897 3.960 0.001 0.000 0.231 337 G HA3 -0.064 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 0.575 nan 8.290 nan 0.000 0.515 338 E N 1.570 121.775 120.200 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 1.912 122.113 120.200 0.002 0.000 2.233 339 E HA -0.307 4.044 4.350 0.001 0.000 0.199 339 E C 1.697 178.297 176.600 -0.000 0.000 1.004 339 E CA 1.180 57.580 56.400 0.001 0.000 0.819 339 E CB -0.091 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 -0.095 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 1.719 53.756 52.037 -0.001 0.000 0.616 340 A CB -0.791 18.209 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 1.611 53.646 52.037 -0.003 0.000 0.617 341 A CB -0.732 18.267 19.000 -0.002 0.000 0.827 341 A HN 0.506 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 37.549 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 -0.633 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 -0.238 108.558 108.800 -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 0.648 45.744 45.100 -0.008 0.000 0.784 344 G HN 0.351 nan 8.290 nan 0.000 0.535 345 R N 0.432 120.925 120.500 -0.011 0.000 2.105 345 R HA -0.032 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 1.542 57.633 56.100 -0.015 0.000 0.967 345 R CB -0.870 29.421 30.300 -0.016 0.000 0.861 345 R HN 0.218 nan 8.270 nan 0.000 0.442 346 V N 0.773 120.679 119.914 -0.013 0.000 2.295 346 V HA -0.234 3.887 4.120 0.001 0.000 0.246 346 V C 2.393 178.479 176.094 -0.013 0.000 1.049 346 V CA 1.993 64.285 62.300 -0.013 0.000 1.024 346 V CB -1.088 30.729 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 4.009 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 2.157 54.187 52.037 -0.011 0.000 0.627 347 A CB -0.504 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 -0.426 119.366 119.800 -0.014 0.000 1.975 348 Q HA -0.159 4.181 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 1.813 57.606 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 0.374 120.931 120.570 -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 0.979 62.264 61.300 -0.026 0.000 1.421 349 I CB -0.292 37.691 38.000 -0.029 0.000 1.079 349 I HN 0.158 nan 8.210 nan 0.000 0.431 350 R N 0.830 121.319 120.500 -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 1.252 57.343 56.100 -0.016 0.000 0.976 350 R CB 0.004 30.296 30.300 -0.013 0.000 0.870 350 R HN 0.422 nan 8.270 nan 0.000 0.445 351 Q N -0.660 119.131 119.800 -0.015 0.000 2.187 351 Q HA -0.095 4.246 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 0.735 56.530 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 0.582 120.371 119.800 -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 1.034 121.591 120.570 -0.022 0.000 2.394 353 I HA -0.225 3.946 4.170 0.001 0.000 0.251 353 I C 2.163 178.272 176.117 -0.014 0.000 1.136 353 I CA 0.853 62.140 61.300 -0.020 0.000 1.425 353 I CB -0.278 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 1.732 178.328 176.600 -0.007 0.000 0.987 354 E CA 1.216 57.611 56.400 -0.008 0.000 0.799 354 E CB -0.343 29.352 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 0.247 176.843 176.600 -0.006 0.000 1.066 355 E CA -0.049 56.346 56.400 -0.007 0.000 0.871 355 E CB 0.143 29.838 29.700 -0.008 0.000 0.863 355 E HN 0.071 nan 8.360 nan 0.000 0.520 356 A N 1.703 124.519 122.820 -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 0.153 52.188 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 -0.609 113.950 114.554 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 62.584 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 -0.234 115.485 115.700 0.031 0.000 2.541 358 S HA 0.368 4.838 4.470 0.001 0.000 0.280 358 S C 0.050 174.686 174.600 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 2.138 122.580 120.400 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 1.479 55.518 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 2.231 122.533 120.300 0.003 0.000 2.081 360 Y HA -0.248 4.302 4.550 0.001 0.000 0.280 360 Y C 1.627 177.526 175.900 -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 -0.013 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 1.352 55.290 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 -0.196 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 0.701 56.846 56.287 -0.237 0.000 0.930 364 K CB -0.572 31.704 32.500 -0.372 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 -0.186 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 4.101 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 1.427 57.207 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 0.529 120.703 120.200 -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 0.720 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 0.440 120.918 120.500 -0.036 0.000 2.066 368 R HA -0.109 4.232 4.340 0.001 0.000 0.232 368 R C 2.735 179.021 176.300 -0.023 0.000 1.131 368 R CA 1.518 57.598 56.100 -0.032 0.000 0.955 368 R CB -0.602 29.670 30.300 -0.046 0.000 0.851 368 R HN 0.198 nan 8.270 nan 0.000 0.432 369 V N -1.173 118.727 119.914 -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 64.098 62.300 -0.018 0.000 1.036 369 V CB -1.087 30.725 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 0.154 121.379 121.223 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 56.186 54.840 0.001 0.000 0.793 372 L CB -0.142 41.911 42.059 -0.009 0.000 0.927 372 L HN 0.059 nan 8.230 nan 0.000 0.446 373 A N -1.694 121.126 122.820 -0.000 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 -0.156 108.692 108.800 0.080 0.000 2.403 374 G HA2 0.368 4.328 3.960 0.001 0.000 0.216 374 G HA3 0.368 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 -1.658 107.170 108.800 0.047 0.000 2.632 375 G HA2 0.029 3.989 3.960 0.001 0.000 0.224 375 G HA3 0.029 3.989 3.960 0.001 0.000 0.224 375 G C -0.720 174.182 174.900 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 1.199 33.010 31.823 -0.019 0.000 1.009 376 V HN 2.170 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 5.017 4.320 0.001 0.000 0.267 377 A C -0.333 177.247 177.584 -0.006 0.000 1.127 377 A CA -0.159 51.875 52.037 -0.006 0.000 0.795 377 A CB 0.563 19.560 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 4.550 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 6.062 126.462 120.400 0.000 0.000 2.281 380 K HA 0.414 4.734 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 -0.635 55.652 56.287 0.000 0.000 0.898 380 K CB 1.771 34.271 32.500 -0.000 0.000 1.128 380 K HN 0.319 nan 8.250 nan 0.000 0.460 381 V N 2.846 122.761 119.914 0.001 0.000 2.763 381 V HA 0.001 4.122 4.120 0.001 0.000 0.306 381 V C 1.453 177.547 176.094 -0.000 0.000 1.059 381 V CA -0.053 62.247 62.300 0.001 0.000 1.138 381 V CB 0.709 32.533 31.823 0.001 0.000 0.940 381 V HN 0.950 nan 8.190 nan 0.000 0.489 382 G N 2.397 111.197 108.800 -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 0.346 175.245 174.900 -0.001 0.000 1.362 382 G CA 0.465 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 -2.453 120.366 122.820 -0.001 0.000 2.363 383 A HA 0.838 5.159 4.320 0.001 0.000 0.180 383 A C 0.765 178.349 177.584 -0.001 0.000 1.219 383 A CA 1.010 53.046 52.037 -0.001 0.000 1.864 383 A CB -0.489 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 -0.401 122.418 122.820 -0.001 0.000 2.611 384 A HA 0.508 4.829 4.320 0.001 0.000 0.281 384 A C 1.006 178.589 177.584 -0.001 0.000 1.396 384 A CA 1.300 53.336 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 3.433 nan 8.150 nan 0.000 0.384 385 T N -2.622 111.932 114.554 -0.001 0.000 0.545 385 T HA -0.066 4.285 4.350 0.001 0.000 0.773 385 T C 0.256 174.955 174.700 -0.001 0.000 0.992 385 T CA 1.316 63.415 62.100 -0.001 0.000 4.074 385 T CB -1.121 67.747 68.868 -0.001 0.000 2.301 385 T HN 1.890 nan 8.240 nan 0.000 0.398 386 E N 1.252 121.452 120.200 -0.001 0.000 2.160 386 E HA -0.138 4.213 4.350 0.001 0.000 0.195 386 E C 1.980 178.580 176.600 -0.000 0.000 0.991 386 E CA 2.086 58.486 56.400 -0.001 0.000 0.810 386 E CB -0.105 29.595 29.700 -0.001 0.000 0.742 386 E HN 0.658 nan 8.360 nan 0.000 0.466 387 V N 1.301 121.215 119.914 -0.000 0.000 2.244 387 V HA -0.255 3.866 4.120 0.001 0.000 0.244 387 V C 2.151 178.245 176.094 -0.001 0.000 1.042 387 V CA 2.253 64.553 62.300 0.000 0.000 1.006 387 V CB -0.655 31.168 31.823 0.000 0.000 0.641 387 V HN 0.287 nan 8.190 nan 0.000 0.446 388 E N -0.284 119.915 120.200 -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 1.122 120.721 119.600 -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 1.539 56.839 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 0.218 120.618 120.400 -0.000 0.000 2.211 390 K HA -0.142 4.179 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 1.141 57.428 56.287 -0.000 0.000 0.945 390 K CB -0.453 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 1.470 121.670 120.200 -0.001 0.000 2.016 391 E HA -0.166 4.185 4.350 0.001 0.000 0.190 391 E C 2.045 178.644 176.600 -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 1.531 57.818 56.287 -0.001 0.000 0.933 392 K CB -0.060 32.439 32.500 -0.001 0.000 0.721 392 K HN -0.037 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 1.204 57.492 56.287 0.002 0.000 0.931 393 K CB -0.162 32.339 32.500 0.002 0.000 0.714 393 K HN 0.222 nan 8.250 nan 0.000 0.440 394 A N 1.536 124.357 122.820 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 1.468 53.504 52.037 -0.001 0.000 0.620 394 A CB -0.499 18.498 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 -0.107 4.234 4.340 0.001 0.000 0.237 395 R C 2.048 178.352 176.300 0.007 0.000 1.137 395 R CA 1.560 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 1.343 121.261 119.914 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 1.526 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 0.353 120.773 120.400 0.032 0.000 2.097 398 D HA -0.113 4.528 4.640 0.001 0.000 0.197 398 D C 1.958 178.296 176.300 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 1.114 53.173 52.037 0.036 0.000 0.627 399 A CB -0.709 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 -0.842 120.410 121.223 0.049 0.000 2.017 400 L HA -0.177 4.163 4.340 0.001 0.000 0.208 400 L C 2.408 179.306 176.870 0.048 0.000 1.073 400 L CA 2.669 57.531 54.840 0.037 0.000 0.745 400 L CB -0.899 41.178 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 1.859 57.904 56.048 -0.004 0.000 1.311 401 H CB 0.090 29.850 29.762 -0.004 0.000 1.377 401 H HN 0.478 nan 8.280 nan 0.000 0.504 402 A N -0.242 122.696 122.820 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 1.893 54.008 52.037 0.130 0.000 0.620 402 A CB -0.904 18.150 19.000 0.089 0.000 0.819 402 A HN 0.512 nan 8.150 nan 0.000 0.442 403 T N -0.597 113.973 114.554 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 1.222 63.326 62.100 0.006 0.000 1.136 403 T CB -0.219 68.652 68.868 0.005 0.000 0.874 403 T HN 0.295 nan 8.240 nan 0.000 0.466 404 R N 1.504 121.978 120.500 -0.042 0.000 2.081 404 R HA 0.104 4.445 4.340 0.001 0.000 0.235 404 R C 2.566 178.824 176.300 -0.071 0.000 1.131 404 R CA 1.708 57.764 56.100 -0.074 0.000 0.960 404 R CB -1.031 29.187 30.300 -0.136 0.000 0.856 404 R HN 0.415 nan 8.270 nan 0.000 0.436 405 A N 0.517 123.293 122.820 -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 1.932 53.946 52.037 -0.038 0.000 0.623 405 A CB -0.751 18.250 19.000 0.002 0.000 0.818 405 A HN 0.423 nan 8.150 nan 0.000 0.443 406 A N -0.578 122.242 122.820 -0.001 0.000 1.908 406 A HA -0.038 4.283 4.320 0.001 0.000 0.218 406 A C 2.216 179.800 177.584 -0.001 0.000 1.181 406 A CA 1.864 53.903 52.037 0.004 0.000 0.627 406 A CB -0.936 18.068 19.000 0.007 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 2.390 178.480 176.094 -0.008 0.000 1.055 407 V CA 2.240 64.535 62.300 -0.008 0.000 1.049 407 V CB -0.793 31.022 31.823 -0.013 0.000 0.662 407 V HN 0.642 nan 8.190 nan 0.000 0.455 408 E N -0.064 120.128 120.200 -0.013 0.000 2.047 408 E HA -0.105 4.246 4.350 0.001 0.000 0.191 408 E C 0.596 177.194 176.600 -0.003 0.000 0.987 408 E CA 0.853 57.247 56.400 -0.010 0.000 0.799 408 E CB 0.095 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 1.403 110.207 108.800 0.007 0.000 2.587 410 G HA2 0.059 4.019 3.960 0.001 0.000 0.666 410 G HA3 0.059 4.019 3.960 0.001 0.000 0.666 410 G C 0.137 175.043 174.900 0.010 0.000 1.239 410 G CA 0.406 45.511 45.100 0.008 0.000 1.353 410 G HN 0.436 nan 8.290 nan 0.000 0.780 411 V N -3.254 116.666 119.914 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 -0.939 118.984 119.914 0.015 0.000 3.130 412 V HA 1.010 5.130 4.120 0.001 0.000 0.310 412 V C 0.482 176.586 176.094 0.017 0.000 1.158 412 V CA -0.716 61.594 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 1.015 123.847 122.820 0.020 0.000 2.546 413 A HA 0.602 4.923 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 18.467 19.000 0.026 0.000 0.991 413 A HN 1.962 nan 8.150 nan 0.000 0.503 414 G N 0.643 109.447 108.800 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 -0.055 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 -1.998 106.802 108.800 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 1.262 46.366 45.100 0.006 0.000 0.749 415 G HN 2.466 nan 8.290 nan 0.000 0.512 416 G N -2.393 106.418 108.800 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 1.904 176.821 174.900 0.027 0.000 0.975 416 G CA 1.932 47.046 45.100 0.022 0.000 0.644 416 G HN 2.206 nan 8.290 nan 0.000 0.537 417 V N -0.869 119.062 119.914 0.028 0.000 2.548 417 V HA 0.321 4.441 4.120 0.001 0.000 0.249 417 V C 2.810 178.926 176.094 0.037 0.000 1.055 417 V CA 2.200 64.523 62.300 0.037 0.000 1.065 417 V CB -0.614 31.233 31.823 0.039 0.000 0.681 417 V HN 1.446 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 0.027 0.000 1.193 418 A CA 2.443 54.497 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 -0.811 120.426 121.223 0.024 0.000 2.131 419 L HA -0.146 4.195 4.340 0.001 0.000 0.210 419 L C 2.459 179.344 176.870 0.024 0.000 1.092 419 L CA 0.940 55.793 54.840 0.021 0.000 0.759 419 L CB -0.401 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 -0.866 119.722 120.570 0.029 0.000 2.252 420 I HA -0.221 3.950 4.170 0.001 0.000 0.245 420 I C 2.674 178.812 176.117 0.036 0.000 1.102 420 I CA 0.726 62.046 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 1.037 57.161 56.100 0.039 0.000 0.960 421 R CB -1.081 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 1.413 121.341 119.914 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 30.896 31.823 0.014 0.000 0.648 422 V HN 0.321 nan 8.190 nan 0.000 0.447 423 A N 0.843 123.673 122.820 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 18.144 19.000 0.016 0.000 0.818 423 A HN 0.710 nan 8.150 nan 0.000 0.445 424 S N -0.093 115.619 115.700 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 59.655 58.200 0.018 0.000 0.983 424 S CB -0.385 62.829 63.200 0.024 0.000 0.803 424 S HN 0.614 nan 8.310 nan 0.000 0.480 425 K N 0.814 121.223 120.400 0.014 0.000 2.365 425 K HA 0.194 4.515 4.320 0.001 0.000 0.199 425 K C 1.164 177.769 176.600 0.008 0.000 1.045 425 K CA 0.657 56.950 56.287 0.011 0.000 0.962 425 K CB -0.256 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 -0.080 121.148 121.223 0.008 0.000 2.700 426 L HA 0.197 4.538 4.340 0.001 0.000 0.234 426 L C 1.886 178.760 176.870 0.006 0.000 1.156 426 L CA -0.212 54.631 54.840 0.006 0.000 0.946 426 L CB -0.103 41.959 42.059 0.005 0.000 1.216 426 L HN 0.043 nan 8.230 nan 0.000 0.493 427 A N 0.269 123.093 122.820 0.006 0.000 2.032 427 A HA -0.211 4.110 4.320 0.001 0.000 0.221 427 A C 1.605 179.192 177.584 0.004 0.000 1.165 427 A CA 1.785 53.825 52.037 0.006 0.000 0.645 427 A CB -0.217 18.787 19.000 0.006 0.000 0.807 427 A HN 0.379 nan 8.150 nan 0.000 0.453 428 D N -1.276 119.126 120.400 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 1.920 123.144 121.223 0.002 0.000 2.490 429 L HA 0.089 4.430 4.340 0.001 0.000 0.274 429 L C 0.145 177.015 176.870 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 3.011 123.512 120.500 0.001 0.000 2.855 430 R HA 0.719 5.059 4.340 0.001 0.000 0.266 430 R C -0.262 176.038 176.300 0.001 0.000 1.034 430 R CA -0.336 55.765 56.100 0.001 0.000 0.944 430 R CB 1.463 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 -0.426 108.375 108.800 0.001 0.000 3.119 431 G HA2 0.218 4.178 3.960 0.001 0.000 0.206 431 G HA3 0.218 4.178 3.960 0.001 0.000 0.206 431 G C 0.017 174.918 174.900 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 0.105 176.106 176.000 0.001 0.000 0.954 432 Q CA 0.976 56.780 55.803 0.001 0.000 0.901 432 Q CB 0.051 28.790 28.738 0.001 0.000 0.981 432 Q HN 0.604 nan 8.270 nan 0.000 0.483 433 N N -3.140 115.561 118.700 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 0.113 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 4.144 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 2.098 58.499 56.400 0.002 0.000 0.801 434 E CB -1.236 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 0.081 120.482 120.400 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 1.395 55.397 54.000 0.003 0.000 0.839 435 D CB -0.298 40.504 40.800 0.004 0.000 0.948 435 D HN 0.589 nan 8.370 nan 0.000 0.460 436 Q N -0.056 119.746 119.800 0.003 0.000 2.167 436 Q HA -0.071 4.270 4.340 0.001 0.000 0.202 436 Q C 1.736 177.738 176.000 0.002 0.000 0.970 436 Q CA 0.600 56.405 55.803 0.003 0.000 0.855 436 Q CB 0.074 28.813 28.738 0.002 0.000 0.911 436 Q HN 0.236 nan 8.270 nan 0.000 0.438 437 N N -0.062 118.639 118.700 0.002 0.000 2.188 437 N HA -0.110 4.631 4.740 0.001 0.000 0.184 437 N C 1.815 177.327 175.510 0.003 0.000 1.018 437 N CA 0.877 53.928 53.050 0.002 0.000 0.858 437 N CB -0.175 38.313 38.487 0.002 0.000 0.989 437 N HN 0.042 nan 8.380 nan 0.000 0.426 438 V N 0.854 120.770 119.914 0.003 0.000 2.343 438 V HA -0.134 3.986 4.120 0.001 0.000 0.247 438 V C 2.441 178.537 176.094 0.004 0.000 1.051 438 V CA 1.980 64.282 62.300 0.003 0.000 1.036 438 V CB -1.218 30.607 31.823 0.003 0.000 0.654 438 V HN 0.324 nan 8.190 nan 0.000 0.451 439 G N -0.083 108.719 108.800 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 1.122 46.225 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 -0.053 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 0.436 120.839 120.400 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 -0.748 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 1.695 121.613 119.914 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 -1.438 119.789 121.223 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 1.434 56.278 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 0.301 120.806 120.500 0.008 0.000 2.073 445 R HA -0.087 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 0.432 123.258 122.820 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 1.146 53.189 52.037 0.010 0.000 0.656 446 A CB -0.361 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 -0.735 118.872 119.600 0.012 0.000 2.549 447 M HA -0.108 4.372 4.480 0.001 0.000 0.260 447 M C 1.436 177.745 176.300 0.016 0.000 1.076 447 M CA 1.058 56.366 55.300 0.014 0.000 1.090 447 M CB -0.157 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 -0.046 120.162 120.200 0.014 0.000 2.400 448 E HA 0.047 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 2.513 125.339 122.820 0.011 0.000 1.903 449 A HA -0.166 4.155 4.320 0.001 0.000 0.219 449 A C -0.311 177.278 177.584 0.010 0.000 1.191 449 A CA 1.478 53.521 52.037 0.009 0.000 0.638 449 A CB -1.468 17.538 19.000 0.010 0.000 0.823 449 A HN 0.137 nan 8.150 nan 0.000 0.451 450 P HA -0.160 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 1.089 64.197 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 -0.770 120.463 121.223 0.016 0.000 2.046 451 L HA -0.167 4.174 4.340 0.001 0.000 0.208 451 L C 2.414 179.288 176.870 0.005 0.000 1.077 451 L CA 1.715 56.566 54.840 0.018 0.000 0.747 451 L CB -0.288 41.783 42.059 0.021 0.000 0.896 451 L HN -0.194 nan 8.230 nan 0.000 0.432 452 R N -0.816 119.684 120.500 -0.000 0.000 2.096 452 R HA -0.206 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 1.560 57.654 56.100 -0.011 0.000 0.968 452 R CB -0.297 29.999 30.300 -0.007 0.000 0.861 452 R HN 0.378 nan 8.270 nan 0.000 0.440 453 Q N 0.992 120.793 119.800 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 57.144 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 -0.777 119.801 120.570 0.013 0.000 2.226 454 I HA -0.261 3.909 4.170 0.001 0.000 0.245 454 I C 1.948 178.087 176.117 0.036 0.000 1.100 454 I CA 0.875 62.189 61.300 0.025 0.000 1.374 454 I CB -0.215 37.806 38.000 0.035 0.000 1.057 454 I HN 0.063 nan 8.210 nan 0.000 0.413 455 V N 0.531 120.458 119.914 0.022 0.000 2.307 455 V HA -0.271 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 1.562 63.861 62.300 -0.003 0.000 1.024 455 V CB -0.517 31.242 31.823 -0.106 0.000 0.651 455 V HN 0.342 nan 8.190 nan 0.000 0.449 456 L N 0.928 122.144 121.223 -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 41.147 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 1.768 176.775 174.990 0.028 0.000 1.400 458 C CA 0.635 59.675 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 0.096 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 0.318 120.518 120.200 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 0.542 30.209 29.700 -0.055 0.000 1.203 460 E HN 0.495 nan 8.360 nan 0.000 0.459 461 E N 1.373 121.538 120.200 -0.058 0.000 2.081 461 E HA 0.148 4.499 4.350 0.001 0.000 0.281 461 E C -1.774 174.783 176.600 -0.072 0.000 0.986 461 E CA -1.646 54.725 56.400 -0.049 0.000 0.796 461 E CB 1.111 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 -0.210 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 31.992 31.700 -0.032 0.000 0.790 463 S N -1.058 114.625 115.700 -0.028 0.000 2.382 463 S HA -0.101 4.370 4.470 0.001 0.000 0.228 463 S C 1.958 176.550 174.600 -0.014 0.000 1.027 463 S CA 1.101 59.291 58.200 -0.016 0.000 0.991 463 S CB -1.078 62.116 63.200 -0.010 0.000 0.823 463 S HN -0.063 nan 8.310 nan 0.000 0.469 464 V N 1.223 121.125 119.914 -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 1.435 63.730 62.300 -0.008 0.000 1.014 464 V CB -0.719 31.099 31.823 -0.007 0.000 0.645 464 V HN 0.332 nan 8.190 nan 0.000 0.447 465 V N 0.378 120.264 119.914 -0.046 0.000 2.343 465 V HA -0.252 3.869 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 1.989 64.258 62.300 -0.051 0.000 1.036 465 V CB -1.201 30.386 31.823 -0.395 0.000 0.654 465 V HN 0.551 nan 8.190 nan 0.000 0.451 466 A N 0.533 123.347 122.820 -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 54.535 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 -0.743 117.974 118.700 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 2.368 55.434 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 -0.619 113.964 114.554 0.050 0.000 2.777 468 T HA -0.047 4.304 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 63.272 62.100 0.034 0.000 1.141 468 T CB -0.338 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 1.729 121.774 119.914 0.218 0.000 2.295 469 V HA -0.159 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 1.500 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 0.328 120.806 120.400 0.129 0.000 2.209 470 K HA -0.114 4.206 4.320 0.001 0.000 0.204 470 K C 2.206 178.851 176.600 0.074 0.000 1.048 470 K CA 1.320 57.660 56.287 0.089 0.000 0.940 470 K CB -0.555 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 1.334 110.178 108.800 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 46.018 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 -0.440 174.472 174.900 0.021 0.000 1.481 472 G CA 0.473 45.494 45.100 -0.132 0.000 1.071 472 G HN 0.503 nan 8.290 nan 0.000 0.572 473 D N -4.089 116.341 120.400 0.051 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 0.374 41.190 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 0.234 175.197 174.900 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 0.019 118.783 118.700 0.106 0.000 2.434 475 N HA 0.184 4.925 4.740 0.001 0.000 0.196 475 N C 0.218 175.813 175.510 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 1.572 121.905 120.300 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 0.120 38.623 38.460 0.071 0.000 1.210 476 Y HN -0.021 nan 8.280 nan 0.000 0.528 477 G N 4.228 112.825 108.800 -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 -2.456 172.324 174.900 -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 1.514 121.654 120.300 -0.266 0.000 2.331 478 Y HA 0.543 5.094 4.550 0.001 0.000 0.338 478 Y C -0.013 175.720 175.900 -0.278 0.000 0.976 478 Y CA -1.399 56.447 58.100 -0.423 0.000 1.137 478 Y CB 1.425 39.617 38.460 -0.448 0.000 1.172 478 Y HN 0.416 nan 8.280 nan 0.000 0.478 479 N N 4.785 123.043 118.700 -0.736 0.000 2.415 479 N HA 0.176 4.917 4.740 0.001 0.000 0.246 479 N C 0.377 175.404 175.510 -0.805 0.000 1.078 479 N CA 0.530 53.251 53.050 -0.548 0.000 0.942 479 N CB 1.414 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 3.631 126.154 122.820 -0.496 0.000 2.067 480 A HA 0.018 4.338 4.320 0.001 0.000 0.219 480 A C 1.985 179.438 177.584 -0.219 0.000 1.158 480 A CA 1.440 53.287 52.037 -0.317 0.000 0.661 480 A CB -0.303 18.667 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 54.172 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 -3.693 110.742 114.554 -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 -0.164 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 1.266 121.244 120.200 -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 56.714 56.400 -0.398 0.000 0.732 483 E CB -1.320 28.350 29.700 -0.049 0.000 1.286 483 E HN 0.661 nan 8.360 nan 0.000 0.394 484 E N -0.200 119.712 120.200 -0.480 0.000 2.317 484 E HA 0.405 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 -0.221 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 0.128 120.419 120.300 -0.016 0.000 2.326 485 Y HA 0.603 5.153 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 40.003 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 -1.890 173.054 174.900 0.074 0.000 1.278 486 G CA -1.158 44.002 45.100 0.099 0.000 0.860 486 G HN 0.518 nan 8.290 nan 0.000 0.504 487 N N 1.160 119.917 118.700 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 0.825 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 3.320 122.928 119.600 0.013 0.000 2.106 488 M HA -0.195 4.286 4.480 0.001 0.000 0.259 488 M C 1.619 177.918 176.300 -0.001 0.000 1.068 488 M CA 1.221 56.515 55.300 -0.010 0.000 1.100 488 M CB -0.664 31.931 32.600 -0.007 0.000 1.351 488 M HN 0.538 nan 8.290 nan 0.000 0.404 489 I N 0.467 121.046 120.570 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 1.421 62.729 61.300 0.013 0.000 1.368 489 I CB -1.699 36.313 38.000 0.020 0.000 1.058 489 I HN 0.237 nan 8.210 nan 0.000 0.410 490 D N 0.606 121.015 120.400 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 -0.833 118.764 119.600 -0.006 0.000 2.561 491 M HA 0.162 4.642 4.480 0.001 0.000 0.238 491 M C 0.992 177.278 176.300 -0.023 0.000 1.131 491 M CA 0.411 55.698 55.300 -0.021 0.000 1.046 491 M CB 0.570 33.145 32.600 -0.041 0.000 1.532 491 M HN 0.026 nan 8.290 nan 0.000 0.497 492 G N 2.288 111.080 108.800 -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 0.475 176.586 176.117 -0.010 0.000 1.075 493 I CA -0.484 60.803 61.300 -0.022 0.000 1.205 493 I CB 0.381 38.358 38.000 -0.038 0.000 1.406 493 I HN 0.014 nan 8.210 nan 0.000 0.481 494 L N 4.395 125.616 121.223 -0.004 0.000 2.341 494 L HA 0.702 5.043 4.340 0.001 0.000 0.267 494 L C -0.964 175.910 176.870 0.007 0.000 1.009 494 L CA -0.959 53.884 54.840 0.004 0.000 0.819 494 L CB 2.051 44.114 42.059 0.006 0.000 1.323 494 L HN 0.275 nan 8.230 nan 0.000 0.425 495 D N 0.638 121.044 120.400 0.012 0.000 2.646 495 D HA 0.395 5.035 4.640 0.001 0.000 0.245 495 D C -2.652 173.658 176.300 0.018 0.000 1.099 495 D CA -1.422 52.587 54.000 0.016 0.000 0.849 495 D CB 2.513 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 0.822 178.135 177.300 0.022 0.000 1.205 496 P CA -0.005 63.107 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 2.241 116.805 114.554 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 1.255 63.365 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 0.829 121.242 120.400 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 1.317 57.621 56.287 0.028 0.000 0.931 498 K CB -0.304 32.213 32.500 0.027 0.000 0.714 498 K HN 0.310 nan 8.250 nan 0.000 0.440 499 V N 0.260 120.203 119.914 0.048 0.000 2.453 499 V HA -0.138 3.983 4.120 0.001 0.000 0.247 499 V C 1.670 177.796 176.094 0.053 0.000 1.048 499 V CA 2.287 64.624 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 0.637 115.214 114.554 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 2.078 64.197 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 4.239 4.340 0.001 0.000 0.237 501 R C 2.528 178.825 176.300 -0.004 0.000 1.137 501 R CA 1.810 57.911 56.100 0.002 0.000 0.951 501 R CB -0.360 29.938 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 1.516 124.407 122.820 0.119 0.000 1.883 503 A HA -0.093 4.228 4.320 0.001 0.000 0.217 503 A C 2.155 179.789 177.584 0.082 0.000 1.186 503 A CA 1.580 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 -0.221 121.025 121.223 0.037 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 57.569 55.803 -0.174 0.000 0.840 505 Q CB -0.302 28.258 28.738 -0.297 0.000 0.898 505 Q HN 0.513 nan 8.270 nan 0.000 0.430 506 Y N 0.263 120.567 120.300 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 -0.563 37.900 38.460 0.005 0.000 0.999 506 Y HN 0.129 nan 8.280 nan 0.000 0.541 507 A N 0.023 122.925 122.820 0.137 0.000 1.877 507 A HA -0.119 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 1.898 53.984 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 -0.872 121.965 122.820 0.027 0.000 1.930 508 A HA -0.064 4.256 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 18.125 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 60.021 58.200 0.029 0.000 1.010 509 S CB -0.504 62.721 63.200 0.042 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 -0.585 119.027 119.600 0.020 0.000 2.117 514 M HA -0.215 4.266 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 1.817 57.129 55.300 0.019 0.000 1.114 514 M CB -0.393 32.219 32.600 0.019 0.000 1.361 514 M HN 0.214 nan 8.290 nan 0.000 0.408 515 I N 0.069 120.649 120.570 0.016 0.000 2.454 515 I HA -0.211 3.959 4.170 0.001 0.000 0.254 515 I C 1.878 178.005 176.117 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 -3.278 111.286 114.554 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 -0.443 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 0.657 175.369 174.700 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 0.652 120.867 120.200 0.025 0.000 2.447 518 E HA 0.166 4.517 4.350 0.001 0.000 0.204 518 E C 0.234 176.848 176.600 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 0.258 119.521 119.300 -0.061 0.000 3.082 519 C HA 0.692 5.153 4.460 0.001 0.000 0.324 519 C C -1.440 173.450 174.990 -0.168 0.000 1.210 519 C CA -0.663 58.203 59.018 -0.254 0.000 1.366 519 C CB 0.572 28.088 27.740 -0.373 0.000 1.756 519 C HN 0.120 nan 8.230 nan 0.000 0.485 520 M N 4.516 124.011 119.600 -0.174 0.000 2.393 520 M HA 0.636 5.116 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 -0.589 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 0.999 120.936 119.914 0.038 0.000 2.588 521 V HA 0.808 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 0.004 0.000 0.877 521 V CB 2.019 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 1.636 116.090 114.554 -0.166 0.000 2.821 522 T HA 0.393 4.744 4.350 0.001 0.000 0.306 522 T C -1.449 173.143 174.700 -0.181 0.000 1.313 522 T CA -0.551 61.389 62.100 -0.268 0.000 1.012 522 T CB 1.902 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 0.275 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 -0.081 53.862 54.000 -0.094 0.000 0.884 523 D CB 0.424 41.177 40.800 -0.078 0.000 1.199 523 D HN 0.279 nan 8.370 nan 0.000 0.438 524 L N 4.322 125.521 121.223 -0.041 0.000 2.453 524 L HA 0.179 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 -1.333 53.499 54.840 -0.013 0.000 0.858 524 L CB 0.206 42.269 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 0.363 63.454 63.100 -0.014 0.000 1.206 525 P CB -0.052 31.650 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