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 2o7d_1_B DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHHLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.309 177.300 0.015 0.000 1.155 7 P CA 0.000 63.107 63.100 0.011 0.000 0.800 7 P CB 0.000 31.706 31.700 0.010 0.000 0.726 8 K N 0.630 121.039 120.400 0.015 0.000 2.513 8 K HA 0.616 4.939 4.320 0.005 0.000 0.251 8 K C -2.755 173.855 176.600 0.017 0.000 0.939 8 K CA -1.324 54.974 56.287 0.019 0.000 0.793 8 K CB 1.759 34.271 32.500 0.020 0.000 1.241 8 K HN 0.042 nan 8.250 nan 0.000 0.431 9 P HA 0.078 nan 4.420 nan 0.000 0.267 9 P C -1.506 175.802 177.300 0.013 0.000 1.200 9 P CA -0.270 62.841 63.100 0.017 0.000 0.772 9 P CB 0.922 32.636 31.700 0.023 0.000 0.855 10 A N 2.075 124.901 122.820 0.010 0.000 2.355 10 A HA 0.555 4.877 4.320 0.005 0.000 0.317 10 A C -0.922 176.664 177.584 0.003 0.000 1.094 10 A CA -0.592 51.448 52.037 0.005 0.000 0.764 10 A CB 1.140 20.143 19.000 0.004 0.000 1.230 10 A HN 0.332 nan 8.150 nan 0.000 0.448 11 V N 2.583 122.496 119.914 -0.002 0.000 2.328 11 V HA 0.276 4.398 4.120 0.005 0.000 0.278 11 V C 0.246 176.336 176.094 -0.007 0.000 1.021 11 V CA -0.346 61.951 62.300 -0.005 0.000 0.838 11 V CB 1.130 32.946 31.823 -0.012 0.000 0.999 11 V HN 0.963 nan 8.190 nan 0.000 0.447 12 E N 4.642 124.840 120.200 -0.002 0.000 2.044 12 E HA 0.317 4.669 4.350 0.005 0.000 0.282 12 E C -0.757 175.841 176.600 -0.003 0.000 1.031 12 E CA -0.764 55.635 56.400 -0.002 0.000 0.824 12 E CB 1.063 30.765 29.700 0.002 0.000 1.076 12 E HN 0.574 nan 8.360 nan 0.000 0.395 13 L N 5.348 126.565 121.223 -0.010 0.000 2.313 13 L HA 0.229 4.572 4.340 0.005 0.000 0.282 13 L C -0.057 176.811 176.870 -0.004 0.000 1.092 13 L CA 0.639 55.472 54.840 -0.012 0.000 0.831 13 L CB 1.169 43.215 42.059 -0.023 0.000 1.159 13 L HN 0.711 nan 8.230 nan 0.000 0.442 14 D N 2.824 123.226 120.400 0.004 0.000 3.074 14 D HA 0.176 4.819 4.640 0.005 0.000 0.227 14 D C 1.325 177.633 176.300 0.014 0.000 1.553 14 D CA 0.649 54.655 54.000 0.010 0.000 1.347 14 D CB 0.723 41.533 40.800 0.017 0.000 1.021 14 D HN 0.584 nan 8.370 nan 0.000 0.260 15 R N -1.523 118.997 120.500 0.032 0.000 2.197 15 R HA 0.199 4.541 4.340 0.005 0.000 0.188 15 R C 0.263 176.605 176.300 0.070 0.000 1.015 15 R CA -0.176 55.951 56.100 0.044 0.000 1.132 15 R CB 0.362 30.693 30.300 0.052 0.000 1.134 15 R HN 0.191 nan 8.270 nan 0.000 0.560 16 H N 0.292 119.354 119.070 -0.013 0.000 2.457 16 H HA 0.534 5.093 4.556 0.005 0.000 0.335 16 H C -1.306 174.015 175.328 -0.012 0.000 1.115 16 H CA -0.562 55.477 56.048 -0.015 0.000 1.219 16 H CB 1.279 31.033 29.762 -0.014 0.000 1.471 16 H HN 0.048 nan 8.280 nan 0.000 0.491 17 I N 4.513 124.752 120.570 -0.552 0.000 2.569 17 I HA 0.251 4.424 4.170 0.005 0.000 0.290 17 I C -1.142 174.691 176.117 -0.472 0.000 1.088 17 I CA -0.874 60.230 61.300 -0.328 0.000 1.047 17 I CB 1.427 39.316 38.000 -0.185 0.000 1.237 17 I HN 0.836 nan 8.210 nan 0.000 0.421 18 D N 6.108 126.394 120.400 -0.190 0.000 2.423 18 D HA 0.207 4.850 4.640 0.005 0.000 0.255 18 D C 0.989 177.256 176.300 -0.054 0.000 1.174 18 D CA -0.543 53.407 54.000 -0.084 0.000 1.008 18 D CB 0.943 41.775 40.800 0.054 0.000 1.101 18 D HN 0.502 nan 8.370 nan 0.000 0.516 19 L N -0.427 120.790 121.223 -0.010 0.000 2.083 19 L HA -0.136 4.207 4.340 0.005 0.000 0.209 19 L C 1.540 178.446 176.870 0.060 0.000 1.083 19 L CA 1.345 56.197 54.840 0.020 0.000 0.752 19 L CB -0.472 41.609 42.059 0.037 0.000 0.899 19 L HN 0.447 nan 8.230 nan 0.000 0.433 20 D N -0.185 120.251 120.400 0.061 0.000 2.117 20 D HA -0.173 4.470 4.640 0.005 0.000 0.198 20 D C 2.306 178.648 176.300 0.071 0.000 0.982 20 D CA 1.092 55.145 54.000 0.089 0.000 0.828 20 D CB -0.122 40.722 40.800 0.073 0.000 0.967 20 D HN 0.413 nan 8.370 nan 0.000 0.464 21 Q N 0.523 120.343 119.800 0.034 0.000 2.050 21 Q HA -0.100 4.243 4.340 0.005 0.000 0.202 21 Q C 2.268 178.263 176.000 -0.007 0.000 0.980 21 Q CA 1.445 57.255 55.803 0.011 0.000 0.840 21 Q CB -0.150 28.584 28.738 -0.008 0.000 0.898 21 Q HN 0.202 nan 8.270 nan 0.000 0.424 22 A N 0.910 123.721 122.820 -0.014 0.000 1.908 22 A HA -0.251 4.072 4.320 0.005 0.000 0.218 22 A C 1.961 179.524 177.584 -0.035 0.000 1.181 22 A CA 1.710 53.727 52.037 -0.034 0.000 0.627 22 A CB -0.856 18.123 19.000 -0.035 0.000 0.818 22 A HN 0.463 nan 8.150 nan 0.000 0.445 23 H N -0.169 118.850 119.070 -0.086 0.000 2.428 23 H HA 0.067 4.626 4.556 0.004 0.000 0.296 23 H C 2.232 177.474 175.328 -0.144 0.000 1.062 23 H CA 1.331 57.290 56.048 -0.149 0.000 1.350 23 H CB -0.118 29.475 29.762 -0.282 0.000 1.403 23 H HN 0.416 nan 8.280 nan 0.000 0.533 24 A N 0.474 123.279 122.820 -0.025 0.000 1.902 24 A HA -0.104 4.219 4.320 0.005 0.000 0.217 24 A C 2.799 180.335 177.584 -0.079 0.000 1.181 24 A CA 1.627 53.650 52.037 -0.022 0.000 0.623 24 A CB -0.817 18.197 19.000 0.024 0.000 0.818 24 A HN 0.282 nan 8.150 nan 0.000 0.443 25 V N -0.294 119.565 119.914 -0.091 0.000 2.323 25 V HA -0.171 3.952 4.120 0.005 0.000 0.244 25 V C 3.053 179.045 176.094 -0.169 0.000 1.041 25 V CA 1.768 64.008 62.300 -0.099 0.000 1.025 25 V CB -1.264 30.508 31.823 -0.085 0.000 0.656 25 V HN 0.595 nan 8.190 nan 0.000 0.451 26 A N 0.892 123.573 122.820 -0.232 0.000 1.940 26 A HA -0.204 4.119 4.320 0.005 0.000 0.219 26 A C 2.392 179.748 177.584 -0.379 0.000 1.176 26 A CA 2.296 54.142 52.037 -0.318 0.000 0.631 26 A CB -0.651 18.169 19.000 -0.300 0.000 0.814 26 A HN 0.696 nan 8.150 nan 0.000 0.446 27 S N -2.270 113.222 115.700 -0.347 0.000 2.593 27 S HA 0.381 4.853 4.470 0.005 0.000 0.217 27 S C 1.409 176.112 174.600 0.172 0.000 0.966 27 S CA 1.024 59.158 58.200 -0.110 0.000 0.914 27 S CB -0.175 62.873 63.200 -0.253 0.000 0.776 27 S HN 1.925 nan 8.310 nan 0.000 0.523 28 G N 0.419 109.252 108.800 0.055 0.000 2.159 28 G HA2 -0.210 3.753 3.960 0.005 0.000 0.256 28 G HA3 -0.210 3.753 3.960 0.005 0.000 0.256 28 G C 0.869 175.829 174.900 0.100 0.000 0.977 28 G CA 0.130 45.325 45.100 0.159 0.000 0.652 28 G HN 0.928 nan 8.290 nan 0.000 0.531 29 G N -0.232 108.602 108.800 0.057 0.000 2.448 29 G HA2 0.522 4.485 3.960 0.005 0.000 0.218 29 G HA3 0.522 4.485 3.960 0.005 0.000 0.218 29 G C 0.714 175.636 174.900 0.037 0.000 1.135 29 G CA 1.769 46.902 45.100 0.054 0.000 0.784 29 G HN 1.815 nan 8.290 nan 0.000 0.543 30 A N -0.165 122.666 122.820 0.019 0.000 2.435 30 A HA 0.737 5.060 4.320 0.005 0.000 0.304 30 A C 0.036 177.620 177.584 0.001 0.000 1.064 30 A CA -0.903 51.141 52.037 0.011 0.000 0.727 30 A CB 1.265 20.269 19.000 0.007 0.000 1.284 30 A HN 0.416 nan 8.150 nan 0.000 0.415 31 R N 1.178 121.680 120.500 0.003 0.000 2.543 31 R HA 0.797 5.140 4.340 0.005 0.000 0.268 31 R C -0.823 175.470 176.300 -0.011 0.000 1.067 31 R CA -0.468 55.631 56.100 -0.003 0.000 1.142 31 R CB 0.940 31.241 30.300 0.002 0.000 1.110 31 R HN 0.634 nan 8.270 nan 0.000 0.549 32 I N 1.245 121.805 120.570 -0.017 0.000 2.608 32 I HA 0.461 4.634 4.170 0.005 0.000 0.295 32 I C -1.395 174.712 176.117 -0.016 0.000 1.049 32 I CA -1.218 60.070 61.300 -0.020 0.000 1.063 32 I CB 2.275 40.256 38.000 -0.032 0.000 1.248 32 I HN 0.430 nan 8.210 nan 0.000 0.424 33 V N 6.935 126.840 119.914 -0.014 0.000 2.841 33 V HA 0.379 4.502 4.120 0.005 0.000 0.310 33 V C -0.757 175.330 176.094 -0.012 0.000 1.090 33 V CA -0.739 61.554 62.300 -0.012 0.000 0.930 33 V CB 1.996 33.815 31.823 -0.007 0.000 1.014 33 V HN 0.517 nan 8.190 nan 0.000 0.425 34 L N 3.837 125.053 121.223 -0.012 0.000 2.281 34 L HA 0.749 5.092 4.340 0.005 0.000 0.285 34 L C 0.692 177.558 176.870 -0.007 0.000 1.074 34 L CA 0.313 55.146 54.840 -0.011 0.000 0.817 34 L CB 0.937 42.988 42.059 -0.013 0.000 1.168 34 L HN 0.874 nan 8.230 nan 0.000 0.434 35 A N 6.851 129.668 122.820 -0.005 0.000 2.445 35 A HA 0.376 4.699 4.320 0.005 0.000 0.242 35 A C -1.610 175.973 177.584 -0.002 0.000 1.075 35 A CA -0.792 51.244 52.037 -0.002 0.000 0.777 35 A CB -0.330 18.672 19.000 0.002 0.000 1.013 35 A HN 0.788 nan 8.150 nan 0.000 0.493 36 P HA -0.164 nan 4.420 nan 0.000 0.216 36 P C -1.450 175.849 177.300 -0.001 0.000 1.157 36 P CA 1.909 65.008 63.100 -0.002 0.000 0.880 36 P CB -0.771 30.929 31.700 -0.001 0.000 0.791 37 P HA -0.147 nan 4.420 nan 0.000 0.216 37 P C 1.395 178.696 177.300 0.002 0.000 1.150 37 P CA 1.989 65.090 63.100 0.002 0.000 0.837 37 P CB -0.607 31.095 31.700 0.004 0.000 0.786 38 A N -0.245 122.576 122.820 0.001 0.000 1.897 38 A HA -0.174 4.148 4.320 0.005 0.000 0.215 38 A C 2.399 179.981 177.584 -0.004 0.000 1.181 38 A CA 1.295 53.332 52.037 -0.000 0.000 0.620 38 A CB -1.109 17.890 19.000 -0.002 0.000 0.821 38 A HN 0.006 nan 8.150 nan 0.000 0.443 39 R N -0.182 120.315 120.500 -0.006 0.000 2.091 39 R HA -0.180 4.163 4.340 0.005 0.000 0.238 39 R C 1.297 177.592 176.300 -0.009 0.000 1.136 39 R CA 1.960 58.054 56.100 -0.010 0.000 0.959 39 R CB -0.364 29.930 30.300 -0.010 0.000 0.856 39 R HN 0.470 nan 8.270 nan 0.000 0.437 40 D N 0.039 120.435 120.400 -0.005 0.000 2.117 40 D HA -0.127 4.515 4.640 0.005 0.000 0.198 40 D C 2.049 178.347 176.300 -0.002 0.000 0.982 40 D CA 1.024 55.022 54.000 -0.004 0.000 0.828 40 D CB -0.164 40.635 40.800 -0.002 0.000 0.967 40 D HN 0.299 nan 8.370 nan 0.000 0.464 41 R N 0.169 120.669 120.500 0.001 0.000 2.096 41 R HA -0.075 4.268 4.340 0.005 0.000 0.235 41 R C 2.503 178.805 176.300 0.004 0.000 1.127 41 R CA 0.890 56.993 56.100 0.005 0.000 0.968 41 R CB -0.490 29.814 30.300 0.008 0.000 0.861 41 R HN 0.232 nan 8.270 nan 0.000 0.440 42 C N -0.023 119.276 119.300 -0.001 0.000 2.466 42 C HA 0.000 4.463 4.460 0.005 0.000 0.278 42 C C 2.591 177.572 174.990 -0.016 0.000 1.288 42 C CA 0.401 59.416 59.018 -0.006 0.000 1.722 42 C CB -0.743 26.990 27.740 -0.012 0.000 2.017 42 C HN 0.456 nan 8.230 nan 0.000 0.488 43 R N 1.163 121.652 120.500 -0.018 0.000 2.081 43 R HA -0.098 4.245 4.340 0.005 0.000 0.235 43 R C 2.378 178.666 176.300 -0.019 0.000 1.131 43 R CA 1.586 57.672 56.100 -0.023 0.000 0.960 43 R CB -0.472 29.817 30.300 -0.018 0.000 0.856 43 R HN 0.542 nan 8.270 nan 0.000 0.436 44 A N 0.191 123.004 122.820 -0.011 0.000 1.933 44 A HA -0.168 4.155 4.320 0.005 0.000 0.218 44 A C 2.177 179.754 177.584 -0.012 0.000 1.175 44 A CA 1.796 53.829 52.037 -0.007 0.000 0.628 44 A CB -0.475 18.526 19.000 0.002 0.000 0.814 44 A HN 0.289 nan 8.150 nan 0.000 0.444 45 S N -0.966 114.729 115.700 -0.008 0.000 2.387 45 S HA -0.146 4.327 4.470 0.005 0.000 0.226 45 S C 1.982 176.543 174.600 -0.066 0.000 1.026 45 S CA 1.335 59.529 58.200 -0.009 0.000 0.972 45 S CB -0.304 62.914 63.200 0.030 0.000 0.814 45 S HN 0.670 nan 8.310 nan 0.000 0.477 46 E N 0.364 120.530 120.200 -0.056 0.000 2.118 46 E HA -0.129 4.224 4.350 0.005 0.000 0.195 46 E C 1.996 178.551 176.600 -0.074 0.000 0.992 46 E CA 1.047 57.404 56.400 -0.073 0.000 0.804 46 E CB -0.281 29.382 29.700 -0.062 0.000 0.741 46 E HN 0.608 nan 8.360 nan 0.000 0.458 47 A N 1.079 123.866 122.820 -0.055 0.000 1.929 47 A HA -0.113 4.210 4.320 0.005 0.000 0.216 47 A C 2.094 179.635 177.584 -0.072 0.000 1.176 47 A CA 0.959 52.969 52.037 -0.045 0.000 0.628 47 A CB -0.287 18.698 19.000 -0.025 0.000 0.816 47 A HN 0.148 nan 8.150 nan 0.000 0.444 48 R N -1.073 119.370 120.500 -0.095 0.000 2.075 48 R HA -0.088 4.255 4.340 0.005 0.000 0.232 48 R C 2.092 178.240 176.300 -0.252 0.000 1.126 48 R CA 1.349 57.377 56.100 -0.120 0.000 0.963 48 R CB -0.605 29.650 30.300 -0.075 0.000 0.858 48 R HN 0.489 nan 8.270 nan 0.000 0.435 49 L N 0.739 121.723 121.223 -0.398 0.000 2.017 49 L HA -0.047 4.295 4.340 0.005 0.000 0.208 49 L C 2.162 178.885 176.870 -0.246 0.000 1.073 49 L CA 2.197 56.710 54.840 -0.544 0.000 0.745 49 L CB -1.099 40.672 42.059 -0.481 0.000 0.894 49 L HN 0.173 nan 8.230 nan 0.000 0.432 50 G N -0.997 107.719 108.800 -0.140 0.000 2.446 50 G HA2 -0.303 3.660 3.960 0.005 0.000 0.217 50 G HA3 -0.303 3.660 3.960 0.005 0.000 0.217 50 G C 1.596 176.462 174.900 -0.057 0.000 1.168 50 G CA 1.022 46.082 45.100 -0.068 0.000 0.771 50 G HN 0.677 nan 8.290 nan 0.000 0.551 51 A N -0.005 122.779 122.820 -0.059 0.000 1.898 51 A HA 0.098 4.420 4.320 0.005 0.000 0.216 51 A C 2.611 180.183 177.584 -0.020 0.000 1.181 51 A CA 1.784 53.802 52.037 -0.031 0.000 0.620 51 A CB -0.648 18.339 19.000 -0.022 0.000 0.819 51 A HN 0.270 nan 8.150 nan 0.000 0.442 52 V N 0.299 120.190 119.914 -0.039 0.000 2.332 52 V HA -0.290 3.832 4.120 0.005 0.000 0.248 52 V C 2.407 178.515 176.094 0.023 0.000 1.055 52 V CA 2.149 64.456 62.300 0.011 0.000 1.038 52 V CB -0.655 31.173 31.823 0.009 0.000 0.651 52 V HN 0.580 nan 8.190 nan 0.000 0.450 53 I N -0.742 119.822 120.570 -0.009 0.000 2.286 53 I HA -0.189 3.984 4.170 0.005 0.000 0.245 53 I C 2.730 178.849 176.117 0.004 0.000 1.104 53 I CA 1.357 62.660 61.300 0.004 0.000 1.397 53 I CB -0.423 37.570 38.000 -0.012 0.000 1.072 53 I HN 0.201 nan 8.210 nan 0.000 0.417 54 R N 0.949 121.446 120.500 -0.005 0.000 2.096 54 R HA -0.154 4.188 4.340 0.005 0.000 0.235 54 R C 1.748 178.052 176.300 0.006 0.000 1.127 54 R CA 1.309 57.407 56.100 -0.003 0.000 0.968 54 R CB -0.277 30.019 30.300 -0.007 0.000 0.861 54 R HN 0.479 nan 8.270 nan 0.000 0.440 55 E N 0.178 120.387 120.200 0.014 0.000 2.511 55 E HA 0.084 4.437 4.350 0.005 0.000 0.196 55 E C 0.375 176.993 176.600 0.030 0.000 1.066 55 E CA 0.353 56.767 56.400 0.022 0.000 0.871 55 E CB 0.319 30.037 29.700 0.030 0.000 0.863 55 E HN 0.321 nan 8.360 nan 0.000 0.520 56 A N 2.109 124.948 122.820 0.031 0.000 2.745 56 A HA -0.230 4.093 4.320 0.005 0.000 0.296 56 A C 0.066 177.686 177.584 0.060 0.000 1.500 56 A CA 0.554 52.612 52.037 0.035 0.000 0.766 56 A CB -1.323 17.686 19.000 0.016 0.000 1.030 56 A HN 0.146 nan 8.150 nan 0.000 0.489 57 R N 0.098 120.651 120.500 0.088 0.000 2.643 57 R HA 0.115 4.457 4.340 0.005 0.000 0.270 57 R C 0.538 176.949 176.300 0.185 0.000 1.061 57 R CA -0.125 56.053 56.100 0.129 0.000 1.107 57 R CB 0.124 30.511 30.300 0.146 0.000 0.999 57 R HN 0.717 nan 8.270 nan 0.000 0.460 58 H N 1.790 120.897 119.070 0.063 0.000 3.232 58 H HA 0.208 4.767 4.556 0.004 0.000 0.254 58 H C -0.898 174.493 175.328 0.106 0.000 1.213 58 H CA -0.377 55.698 56.048 0.046 0.000 1.503 58 H CB 0.174 29.938 29.762 0.004 0.000 1.563 58 H HN 0.044 nan 8.280 nan 0.000 0.490 59 V N 6.375 126.472 119.914 0.306 0.000 2.638 59 V HA 0.006 4.129 4.120 0.005 0.000 0.306 59 V C -0.696 175.610 176.094 0.355 0.000 1.052 59 V CA -1.009 61.509 62.300 0.363 0.000 0.885 59 V CB 1.323 33.359 31.823 0.354 0.000 0.999 59 V HN 0.649 nan 8.190 nan 0.000 0.424 60 Y N 3.727 124.266 120.300 0.398 0.000 2.810 60 Y HA 0.352 4.904 4.550 0.004 0.000 0.332 60 Y C 1.386 177.366 175.900 0.134 0.000 1.243 60 Y CA 1.942 60.166 58.100 0.205 0.000 1.537 60 Y CB 0.578 39.206 38.460 0.280 0.000 1.265 60 Y HN 1.060 nan 8.280 nan 0.000 0.572 61 G N 4.070 112.535 108.800 -0.559 0.000 2.234 61 G HA2 -0.308 3.655 3.960 0.005 0.000 0.260 61 G HA3 -0.308 3.655 3.960 0.005 0.000 0.260 61 G C 0.628 175.488 174.900 -0.067 0.000 0.987 61 G CA 0.632 45.548 45.100 -0.306 0.000 0.625 61 G HN 0.670 nan 8.290 nan 0.000 0.532 62 L N -0.222 120.995 121.223 -0.010 0.000 2.467 62 L HA 0.274 4.617 4.340 0.005 0.000 0.213 62 L C 2.294 179.162 176.870 -0.004 0.000 1.053 62 L CA 1.619 56.483 54.840 0.041 0.000 0.847 62 L CB 0.313 42.445 42.059 0.121 0.000 1.075 62 L HN 0.433 nan 8.230 nan 0.000 0.479 63 T N -4.092 110.457 114.554 -0.008 0.000 3.209 63 T HA 0.183 4.535 4.350 0.005 0.000 0.295 63 T C 0.305 174.961 174.700 -0.073 0.000 0.977 63 T CA 0.052 62.137 62.100 -0.024 0.000 0.922 63 T CB 0.039 68.924 68.868 0.029 0.000 1.152 63 T HN 0.206 nan 8.240 nan 0.000 0.527 64 T N -1.774 112.677 114.554 -0.170 0.000 2.883 64 T HA 0.775 5.128 4.350 0.005 0.000 0.296 64 T C 0.610 174.996 174.700 -0.522 0.000 1.117 64 T CA -0.306 61.656 62.100 -0.231 0.000 1.006 64 T CB 1.488 70.301 68.868 -0.091 0.000 1.191 64 T HN 0.256 nan 8.240 nan 0.000 0.508 65 G N -0.062 108.486 108.800 -0.421 0.000 2.525 65 G HA2 0.547 4.510 3.960 0.005 0.000 0.276 65 G HA3 0.547 4.510 3.960 0.005 0.000 0.276 65 G C -1.056 173.364 174.900 -0.801 0.000 1.388 65 G CA -0.754 44.026 45.100 -0.534 0.000 1.050 65 G HN 0.564 nan 8.290 nan 0.000 0.520 66 F N -0.962 118.924 119.950 -0.106 0.000 2.507 66 F HA 0.603 5.132 4.527 0.004 0.000 0.327 66 F C 1.141 177.027 175.800 0.144 0.000 1.068 66 F CA 0.394 58.386 58.000 -0.013 0.000 0.965 66 F CB 1.488 40.511 39.000 0.039 0.000 1.192 66 F HN 1.027 nan 8.300 nan 0.000 0.476 67 G N 2.059 111.165 108.800 0.509 0.000 2.596 67 G HA2 -0.289 3.673 3.960 0.005 0.000 0.295 67 G HA3 -0.289 3.673 3.960 0.005 0.000 0.295 67 G C -1.895 173.122 174.900 0.194 0.000 1.240 67 G CA -0.059 45.206 45.100 0.275 0.000 0.985 67 G HN 0.515 nan 8.290 nan 0.000 0.555 68 P HA 0.141 nan 4.420 nan 0.000 0.230 68 P C 1.704 179.042 177.300 0.064 0.000 1.158 68 P CA 0.724 63.872 63.100 0.080 0.000 0.769 68 P CB -0.059 31.674 31.700 0.054 0.000 0.807 69 L N -1.443 119.817 121.223 0.063 0.000 2.645 69 L HA 0.148 4.491 4.340 0.005 0.000 0.235 69 L C 1.948 178.815 176.870 -0.005 0.000 1.150 69 L CA 0.050 54.901 54.840 0.019 0.000 0.911 69 L CB -0.644 41.416 42.059 0.001 0.000 1.077 69 L HN -0.029 nan 8.230 nan 0.000 0.438 70 A N 1.110 123.961 122.820 0.052 0.000 2.168 70 A HA -0.145 4.178 4.320 0.005 0.000 0.215 70 A C 1.945 179.559 177.584 0.049 0.000 1.152 70 A CA 1.174 53.243 52.037 0.054 0.000 0.716 70 A CB -0.435 18.700 19.000 0.225 0.000 0.794 70 A HN 0.633 nan 8.150 nan 0.000 0.465 71 N N -0.512 118.210 118.700 0.036 0.000 2.521 71 N HA -0.025 4.718 4.740 0.005 0.000 0.188 71 N C 0.011 175.512 175.510 -0.015 0.000 1.146 71 N CA 0.206 53.271 53.050 0.024 0.000 0.893 71 N CB -0.192 38.308 38.487 0.022 0.000 0.975 71 N HN 0.164 nan 8.380 nan 0.000 0.451 72 R N 1.013 121.492 120.500 -0.034 0.000 2.204 72 R HA 0.390 4.733 4.340 0.005 0.000 0.341 72 R C -0.120 176.129 176.300 -0.084 0.000 1.035 72 R CA -0.317 55.749 56.100 -0.056 0.000 0.887 72 R CB 0.673 30.939 30.300 -0.058 0.000 1.114 72 R HN 0.145 nan 8.270 nan 0.000 0.473 73 L N 3.682 124.850 121.223 -0.091 0.000 2.452 73 L HA 0.338 4.681 4.340 0.005 0.000 0.267 73 L C 0.147 176.959 176.870 -0.097 0.000 1.188 73 L CA -0.272 54.501 54.840 -0.113 0.000 0.821 73 L CB 0.506 42.478 42.059 -0.145 0.000 1.102 73 L HN 0.358 nan 8.230 nan 0.000 0.470 74 I N 1.123 121.635 120.570 -0.096 0.000 2.465 74 I HA 0.187 4.359 4.170 0.005 0.000 0.291 74 I C 0.219 176.301 176.117 -0.057 0.000 1.014 74 I CA -0.290 60.963 61.300 -0.079 0.000 1.093 74 I CB 1.705 39.646 38.000 -0.097 0.000 1.267 74 I HN 0.518 nan 8.210 nan 0.000 0.431 75 S N 3.241 118.915 115.700 -0.044 0.000 2.564 75 S HA 0.282 4.755 4.470 0.005 0.000 0.278 75 S C 1.519 176.103 174.600 -0.025 0.000 1.333 75 S CA 0.260 58.440 58.200 -0.033 0.000 1.048 75 S CB 1.114 64.298 63.200 -0.027 0.000 0.900 75 S HN 0.892 nan 8.310 nan 0.000 0.505 76 G N 2.982 111.771 108.800 -0.019 0.000 2.475 76 G HA2 -0.262 3.701 3.960 0.005 0.000 0.220 76 G HA3 -0.262 3.701 3.960 0.005 0.000 0.220 76 G C 1.150 176.042 174.900 -0.014 0.000 1.125 76 G CA 1.159 46.251 45.100 -0.014 0.000 0.755 76 G HN 0.958 nan 8.290 nan 0.000 0.565 77 E N 0.112 120.303 120.200 -0.014 0.000 2.338 77 E HA -0.064 4.289 4.350 0.005 0.000 0.197 77 E C 1.070 177.664 176.600 -0.011 0.000 1.007 77 E CA 0.825 57.217 56.400 -0.013 0.000 0.849 77 E CB -0.126 29.567 29.700 -0.012 0.000 0.774 77 E HN 0.353 nan 8.360 nan 0.000 0.506 78 N N 0.653 119.346 118.700 -0.012 0.000 2.204 78 N HA 0.069 4.812 4.740 0.005 0.000 0.219 78 N C 1.241 176.749 175.510 -0.003 0.000 1.151 78 N CA 0.079 53.125 53.050 -0.007 0.000 0.867 78 N CB 1.221 39.702 38.487 -0.010 0.000 1.043 78 N HN 0.040 nan 8.380 nan 0.000 0.516 79 V N 1.044 120.955 119.914 -0.004 0.000 2.407 79 V HA -0.186 3.937 4.120 0.005 0.000 0.248 79 V C 2.409 178.514 176.094 0.017 0.000 1.055 79 V CA 1.368 63.671 62.300 0.005 0.000 1.049 79 V CB -0.220 31.606 31.823 0.005 0.000 0.662 79 V HN 0.235 nan 8.190 nan 0.000 0.455 80 R N 0.255 120.759 120.500 0.007 0.000 2.073 80 R HA -0.120 4.223 4.340 0.005 0.000 0.234 80 R C 2.370 178.673 176.300 0.005 0.000 1.134 80 R CA 1.969 58.071 56.100 0.004 0.000 0.952 80 R CB -1.385 28.913 30.300 -0.004 0.000 0.850 80 R HN 0.515 nan 8.270 nan 0.000 0.433 81 T N 2.281 116.842 114.554 0.011 0.000 2.777 81 T HA -0.106 4.247 4.350 0.005 0.000 0.266 81 T C 1.891 176.615 174.700 0.039 0.000 1.040 81 T CA 0.977 63.089 62.100 0.020 0.000 1.141 81 T CB -0.281 68.602 68.868 0.024 0.000 0.868 81 T HN 0.079 nan 8.240 nan 0.000 0.444 82 L N 1.369 122.624 121.223 0.053 0.000 2.012 82 L HA -0.147 4.196 4.340 0.005 0.000 0.210 82 L C 2.381 179.370 176.870 0.198 0.000 1.073 82 L CA 1.843 56.750 54.840 0.112 0.000 0.748 82 L CB -0.611 41.478 42.059 0.049 0.000 0.891 82 L HN 0.249 nan 8.230 nan 0.000 0.431 83 Q N -1.007 118.868 119.800 0.125 0.000 2.311 83 Q HA -0.029 4.314 4.340 0.005 0.000 0.203 83 Q C 2.169 178.139 176.000 -0.051 0.000 0.954 83 Q CA 1.017 56.873 55.803 0.087 0.000 0.885 83 Q CB -0.191 28.588 28.738 0.068 0.000 0.963 83 Q HN 0.701 nan 8.270 nan 0.000 0.471 84 A N 1.595 124.363 122.820 -0.087 0.000 1.929 84 A HA -0.135 4.188 4.320 0.005 0.000 0.216 84 A C 1.718 179.046 177.584 -0.428 0.000 1.176 84 A CA 1.095 52.976 52.037 -0.260 0.000 0.628 84 A CB -0.194 18.686 19.000 -0.199 0.000 0.816 84 A HN 0.235 nan 8.150 nan 0.000 0.444 85 N N -0.223 118.396 118.700 -0.135 0.000 2.396 85 N HA -0.067 4.676 4.740 0.005 0.000 0.180 85 N C 1.490 177.045 175.510 0.074 0.000 1.028 85 N CA 0.949 54.019 53.050 0.033 0.000 0.893 85 N CB -0.346 38.235 38.487 0.157 0.000 0.967 85 N HN 0.453 nan 8.380 nan 0.000 0.440 86 L N 0.763 121.958 121.223 -0.048 0.000 1.994 86 L HA -0.069 4.274 4.340 0.005 0.000 0.208 86 L C 1.905 178.506 176.870 -0.449 0.000 1.071 86 L CA 1.459 56.113 54.840 -0.309 0.000 0.745 86 L CB -0.748 40.957 42.059 -0.591 0.000 0.892 86 L HN -0.128 nan 8.230 nan 0.000 0.431 87 V N -0.207 119.505 119.914 -0.337 0.000 2.392 87 V HA -0.343 3.779 4.120 0.005 0.000 0.249 87 V C 2.393 178.356 176.094 -0.219 0.000 1.059 87 V CA 2.211 64.329 62.300 -0.304 0.000 1.051 87 V CB -1.038 30.630 31.823 -0.257 0.000 0.658 87 V HN 0.628 nan 8.190 nan 0.000 0.455 88 H N -0.464 118.502 119.070 -0.173 0.000 2.276 88 H HA -0.167 4.391 4.556 0.004 0.000 0.301 88 H C 2.391 177.653 175.328 -0.109 0.000 1.073 88 H CA 1.625 57.603 56.048 -0.116 0.000 1.311 88 H CB -0.218 29.525 29.762 -0.031 0.000 1.379 88 H HN 0.653 nan 8.280 nan 0.000 0.494 89 H N 0.692 119.791 119.070 0.047 0.000 2.457 89 H HA -0.063 4.496 4.556 0.004 0.000 0.294 89 H C 1.854 177.157 175.328 -0.043 0.000 1.064 89 H CA 0.915 56.962 56.048 -0.002 0.000 1.330 89 H CB -0.279 29.483 29.762 0.001 0.000 1.395 89 H HN 0.330 nan 8.280 nan 0.000 0.541 90 L N 0.939 121.814 121.223 -0.580 0.000 2.418 90 L HA 0.133 4.476 4.340 0.005 0.000 0.218 90 L C 1.894 178.621 176.870 -0.238 0.000 1.125 90 L CA 0.366 54.952 54.840 -0.424 0.000 0.835 90 L CB -0.066 41.680 42.059 -0.522 0.000 0.953 90 L HN 0.267 nan 8.230 nan 0.000 0.454 91 A N 0.031 122.681 122.820 -0.284 0.000 3.074 91 A HA 0.156 4.479 4.320 0.005 0.000 0.251 91 A C 1.258 178.809 177.584 -0.056 0.000 1.695 91 A CA 0.263 52.016 52.037 -0.473 0.000 1.343 91 A CB -0.628 18.024 19.000 -0.579 0.000 1.078 91 A HN 0.362 nan 8.150 nan 0.000 0.644 92 S N -0.646 115.117 115.700 0.105 0.000 2.568 92 S HA 0.357 4.830 4.470 0.005 0.000 0.232 92 S C 0.938 175.635 174.600 0.161 0.000 0.975 92 S CA 0.092 58.368 58.200 0.127 0.000 0.949 92 S CB 0.037 63.278 63.200 0.069 0.000 0.829 92 S HN 0.767 nan 8.310 nan 0.000 0.479 93 G N 1.624 110.608 108.800 0.307 0.000 2.554 93 G HA2 0.475 4.438 3.960 0.005 0.000 0.238 93 G HA3 0.475 4.438 3.960 0.005 0.000 0.238 93 G C -0.101 174.762 174.900 -0.061 0.000 1.259 93 G CA 0.216 45.333 45.100 0.028 0.000 0.843 93 G HN 1.061 nan 8.290 nan 0.000 0.582 94 V N -1.096 118.776 119.914 -0.069 0.000 3.182 94 V HA 1.027 5.150 4.120 0.005 0.000 0.308 94 V C 0.590 176.648 176.094 -0.061 0.000 1.240 94 V CA 0.019 62.284 62.300 -0.057 0.000 1.063 94 V CB 1.106 32.917 31.823 -0.021 0.000 1.076 94 V HN 2.609 nan 8.190 nan 0.000 0.446 95 G N 0.530 109.303 108.800 -0.045 0.000 2.710 95 G HA2 0.052 4.015 3.960 0.005 0.000 0.668 95 G HA3 0.052 4.015 3.960 0.005 0.000 0.668 95 G C -2.692 172.184 174.900 -0.041 0.000 1.320 95 G CA -0.278 44.801 45.100 -0.035 0.000 0.860 95 G HN 1.173 nan 8.290 nan 0.000 0.538 96 P HA 0.413 nan 4.420 nan 0.000 0.269 96 P C 0.799 178.082 177.300 -0.030 0.000 1.209 96 P CA 0.437 63.525 63.100 -0.020 0.000 0.776 96 P CB 0.866 32.564 31.700 -0.004 0.000 0.876 97 V N 1.531 121.429 119.914 -0.027 0.000 2.924 97 V HA 0.163 4.286 4.120 0.005 0.000 0.305 97 V C 0.661 176.751 176.094 -0.008 0.000 1.073 97 V CA -0.663 61.617 62.300 -0.033 0.000 1.098 97 V CB -0.475 31.334 31.823 -0.024 0.000 1.000 97 V HN 0.304 nan 8.190 nan 0.000 0.484 98 L N 2.862 124.077 121.223 -0.013 0.000 2.483 98 L HA 0.247 4.590 4.340 0.005 0.000 0.276 98 L C 0.688 177.580 176.870 0.038 0.000 1.213 98 L CA -0.191 54.654 54.840 0.007 0.000 0.843 98 L CB 0.103 42.157 42.059 -0.008 0.000 1.107 98 L HN 1.026 nan 8.230 nan 0.000 0.487 99 D N -0.000 120.437 120.400 0.063 0.000 2.368 99 D HA -0.116 4.526 4.640 0.005 0.000 0.240 99 D C 0.721 177.113 176.300 0.155 0.000 1.169 99 D CA -0.434 53.635 54.000 0.116 0.000 0.906 99 D CB 0.534 41.407 40.800 0.122 0.000 1.187 99 D HN 0.543 nan 8.370 nan 0.000 0.435 100 W N 1.263 122.570 121.300 0.012 0.000 2.290 100 W HA -0.308 4.355 4.660 0.004 0.000 0.328 100 W C 2.227 178.744 176.519 -0.003 0.000 1.272 100 W CA 2.827 60.179 57.345 0.011 0.000 1.262 100 W CB -0.895 28.573 29.460 0.013 0.000 1.151 100 W HN 0.461 nan 8.180 nan 0.000 0.473 101 T N -0.274 114.403 114.554 0.206 0.000 2.684 101 T HA -0.233 4.119 4.350 0.005 0.000 0.267 101 T C 1.573 176.197 174.700 -0.127 0.000 1.036 101 T CA 2.433 64.505 62.100 -0.046 0.000 1.148 101 T CB -0.979 67.954 68.868 0.109 0.000 0.863 101 T HN 0.198 nan 8.240 nan 0.000 0.436 102 T N 1.893 116.433 114.554 -0.023 0.000 2.777 102 T HA 0.024 4.377 4.350 0.005 0.000 0.266 102 T C 2.426 177.083 174.700 -0.071 0.000 1.040 102 T CA 1.083 63.168 62.100 -0.026 0.000 1.141 102 T CB -0.543 68.339 68.868 0.023 0.000 0.868 102 T HN 0.435 nan 8.240 nan 0.000 0.444 103 A N 1.778 124.546 122.820 -0.087 0.000 1.902 103 A HA -0.124 4.199 4.320 0.005 0.000 0.217 103 A C 2.366 179.855 177.584 -0.158 0.000 1.181 103 A CA 1.454 53.429 52.037 -0.103 0.000 0.623 103 A CB -0.471 18.474 19.000 -0.092 0.000 0.818 103 A HN 0.410 nan 8.150 nan 0.000 0.443 104 R N -0.613 119.727 120.500 -0.266 0.000 2.115 104 R HA 0.007 4.350 4.340 0.005 0.000 0.230 104 R C 2.383 178.556 176.300 -0.212 0.000 1.111 104 R CA 1.019 56.935 56.100 -0.307 0.000 0.976 104 R CB -0.390 29.580 30.300 -0.550 0.000 0.870 104 R HN 0.508 nan 8.270 nan 0.000 0.445 105 A N 1.046 123.760 122.820 -0.178 0.000 1.969 105 A HA -0.167 4.155 4.320 0.005 0.000 0.218 105 A C 2.095 179.627 177.584 -0.086 0.000 1.169 105 A CA 1.184 53.148 52.037 -0.120 0.000 0.635 105 A CB -0.410 18.543 19.000 -0.079 0.000 0.810 105 A HN 0.321 nan 8.150 nan 0.000 0.445 106 M N -0.250 119.302 119.600 -0.079 0.000 2.099 106 M HA -0.112 4.371 4.480 0.005 0.000 0.262 106 M C 1.850 178.114 176.300 -0.060 0.000 1.067 106 M CA 1.935 57.201 55.300 -0.057 0.000 1.124 106 M CB -0.210 32.361 32.600 -0.049 0.000 1.353 106 M HN 0.189 nan 8.290 nan 0.000 0.410 107 V N 1.099 120.967 119.914 -0.077 0.000 2.343 107 V HA -0.274 3.848 4.120 0.005 0.000 0.247 107 V C 2.425 178.480 176.094 -0.065 0.000 1.051 107 V CA 1.706 63.965 62.300 -0.067 0.000 1.036 107 V CB -1.036 30.741 31.823 -0.077 0.000 0.654 107 V HN 0.585 nan 8.190 nan 0.000 0.451 108 L N 1.061 122.235 121.223 -0.082 0.000 2.042 108 L HA -0.106 4.237 4.340 0.005 0.000 0.210 108 L C 2.450 179.283 176.870 -0.061 0.000 1.076 108 L CA 2.388 57.182 54.840 -0.076 0.000 0.749 108 L CB -1.005 40.999 42.059 -0.092 0.000 0.893 108 L HN 0.219 nan 8.230 nan 0.000 0.432 109 A N -0.461 122.325 122.820 -0.058 0.000 1.902 109 A HA -0.263 4.060 4.320 0.005 0.000 0.217 109 A C 2.466 180.028 177.584 -0.038 0.000 1.181 109 A CA 1.855 53.864 52.037 -0.048 0.000 0.623 109 A CB -0.611 18.364 19.000 -0.042 0.000 0.818 109 A HN 0.489 nan 8.150 nan 0.000 0.443 110 R N -0.658 119.822 120.500 -0.034 0.000 2.075 110 R HA -0.079 4.263 4.340 0.005 0.000 0.232 110 R C 1.952 178.238 176.300 -0.022 0.000 1.126 110 R CA 1.555 57.642 56.100 -0.023 0.000 0.963 110 R CB -0.694 29.593 30.300 -0.021 0.000 0.858 110 R HN 0.434 nan 8.270 nan 0.000 0.435 111 L N -0.026 121.179 121.223 -0.030 0.000 1.989 111 L HA -0.134 4.209 4.340 0.005 0.000 0.211 111 L C 1.988 178.841 176.870 -0.028 0.000 1.071 111 L CA 1.742 56.565 54.840 -0.028 0.000 0.749 111 L CB -0.694 41.343 42.059 -0.036 0.000 0.890 111 L HN 0.088 nan 8.230 nan 0.000 0.431 112 V N -0.840 119.051 119.914 -0.037 0.000 2.324 112 V HA -0.319 3.804 4.120 0.005 0.000 0.250 112 V C 2.804 178.881 176.094 -0.029 0.000 1.060 112 V CA 1.933 64.209 62.300 -0.040 0.000 1.042 112 V CB -1.046 30.742 31.823 -0.059 0.000 0.650 112 V HN 0.678 nan 8.190 nan 0.000 0.450 113 S N -0.426 115.259 115.700 -0.025 0.000 2.356 113 S HA -0.159 4.314 4.470 0.005 0.000 0.223 113 S C 1.920 176.518 174.600 -0.003 0.000 1.032 113 S CA 1.789 59.980 58.200 -0.015 0.000 1.005 113 S CB -0.362 62.831 63.200 -0.012 0.000 0.867 113 S HN 0.524 nan 8.310 nan 0.000 0.449 114 I N 1.726 122.296 120.570 -0.000 0.000 2.226 114 I HA -0.156 4.017 4.170 0.005 0.000 0.245 114 I C 2.759 178.880 176.117 0.006 0.000 1.100 114 I CA 1.075 62.381 61.300 0.010 0.000 1.374 114 I CB -0.540 37.463 38.000 0.005 0.000 1.057 114 I HN 0.386 nan 8.210 nan 0.000 0.413 115 A N 0.126 122.944 122.820 -0.004 0.000 2.139 115 A HA -0.230 4.093 4.320 0.005 0.000 0.221 115 A C 2.106 179.691 177.584 0.002 0.000 1.159 115 A CA 1.332 53.366 52.037 -0.005 0.000 0.662 115 A CB -0.386 18.607 19.000 -0.012 0.000 0.796 115 A HN 0.429 nan 8.150 nan 0.000 0.463 116 Q N -1.267 118.536 119.800 0.004 0.000 2.436 116 Q HA 0.074 4.417 4.340 0.005 0.000 0.209 116 Q C 1.246 177.256 176.000 0.016 0.000 0.965 116 Q CA 0.843 56.651 55.803 0.009 0.000 0.910 116 Q CB -0.594 28.146 28.738 0.005 0.000 0.980 116 Q HN 1.108 nan 8.270 nan 0.000 0.491 117 G N 0.323 109.137 108.800 0.022 0.000 2.248 117 G HA2 -0.169 3.794 3.960 0.005 0.000 0.252 117 G HA3 -0.169 3.794 3.960 0.005 0.000 0.252 117 G C 0.411 175.346 174.900 0.058 0.000 1.085 117 G CA 0.387 45.507 45.100 0.033 0.000 0.845 117 G HN 0.529 nan 8.290 nan 0.000 0.494 118 A N -1.060 121.805 122.820 0.075 0.000 2.661 118 A HA 0.716 5.039 4.320 0.005 0.000 0.278 118 A C 1.594 179.295 177.584 0.195 0.000 1.090 118 A CA 1.363 53.470 52.037 0.118 0.000 0.969 118 A CB 0.244 19.276 19.000 0.052 0.000 1.240 118 A HN 0.808 nan 8.150 nan 0.000 0.578 119 S N -1.048 114.762 115.700 0.183 0.000 2.502 119 S HA 0.366 4.838 4.470 0.005 0.000 0.215 119 S C 1.549 176.327 174.600 0.296 0.000 1.009 119 S CA 0.718 59.055 58.200 0.228 0.000 0.908 119 S CB 0.427 63.695 63.200 0.113 0.000 0.801 119 S HN 1.693 nan 8.310 nan 0.000 0.505 120 G N 1.935 110.835 108.800 0.167 0.000 2.162 120 G HA2 -0.243 3.720 3.960 0.005 0.000 0.260 120 G HA3 -0.243 3.720 3.960 0.005 0.000 0.260 120 G C 0.261 175.153 174.900 -0.014 0.000 0.976 120 G CA 0.063 45.155 45.100 -0.013 0.000 0.655 120 G HN 0.901 nan 8.290 nan 0.000 0.533 121 A N 0.251 123.082 122.820 0.019 0.000 2.531 121 A HA 0.595 4.917 4.320 0.005 0.000 0.236 121 A C 1.135 178.681 177.584 -0.064 0.000 1.062 121 A CA 1.100 53.130 52.037 -0.011 0.000 0.760 121 A CB 0.214 19.213 19.000 -0.002 0.000 0.995 121 A HN 2.042 nan 8.150 nan 0.000 0.501 122 S N 1.229 116.858 115.700 -0.119 0.000 2.652 122 S HA 0.259 4.732 4.470 0.005 0.000 0.270 122 S C 0.700 175.197 174.600 -0.172 0.000 1.243 122 S CA -0.028 58.035 58.200 -0.230 0.000 0.999 122 S CB 0.897 63.772 63.200 -0.542 0.000 0.973 122 S HN 0.711 nan 8.310 nan 0.000 0.544 123 E N 1.420 121.518 120.200 -0.170 0.000 2.118 123 E HA -0.128 4.225 4.350 0.005 0.000 0.195 123 E C 2.093 178.637 176.600 -0.093 0.000 0.992 123 E CA 1.277 57.615 56.400 -0.105 0.000 0.804 123 E CB -0.740 28.911 29.700 -0.083 0.000 0.741 123 E HN 0.903 nan 8.360 nan 0.000 0.458 124 G N 0.512 109.237 108.800 -0.124 0.000 2.418 124 G HA2 -0.256 3.707 3.960 0.005 0.000 0.217 124 G HA3 -0.256 3.707 3.960 0.005 0.000 0.217 124 G C 1.632 176.499 174.900 -0.054 0.000 1.158 124 G CA 1.257 46.313 45.100 -0.074 0.000 0.771 124 G HN 0.183 nan 8.290 nan 0.000 0.545 125 T N 1.427 115.938 114.554 -0.072 0.000 2.708 125 T HA -0.070 4.283 4.350 0.005 0.000 0.266 125 T C 2.391 177.072 174.700 -0.031 0.000 1.037 125 T CA 1.082 63.158 62.100 -0.040 0.000 1.146 125 T CB -0.186 68.657 68.868 -0.042 0.000 0.865 125 T HN 0.244 nan 8.240 nan 0.000 0.435 126 I N 1.317 121.863 120.570 -0.040 0.000 2.226 126 I HA -0.188 3.985 4.170 0.005 0.000 0.245 126 I C 2.906 179.008 176.117 -0.026 0.000 1.100 126 I CA 1.111 62.393 61.300 -0.030 0.000 1.374 126 I CB -0.489 37.491 38.000 -0.033 0.000 1.057 126 I HN 0.197 nan 8.210 nan 0.000 0.413 127 A N 0.736 123.539 122.820 -0.028 0.000 1.933 127 A HA -0.168 4.155 4.320 0.005 0.000 0.218 127 A C 2.332 179.908 177.584 -0.013 0.000 1.175 127 A CA 1.222 53.247 52.037 -0.021 0.000 0.628 127 A CB -0.378 18.610 19.000 -0.022 0.000 0.814 127 A HN 0.246 nan 8.150 nan 0.000 0.444 128 R N -0.189 120.306 120.500 -0.009 0.000 2.096 128 R HA -0.021 4.322 4.340 0.005 0.000 0.235 128 R C 1.989 178.293 176.300 0.007 0.000 1.127 128 R CA 1.144 57.247 56.100 0.005 0.000 0.968 128 R CB -0.964 29.345 30.300 0.014 0.000 0.861 128 R HN 0.602 nan 8.270 nan 0.000 0.440 129 L N 0.044 121.264 121.223 -0.004 0.000 2.072 129 L HA -0.059 4.284 4.340 0.005 0.000 0.205 129 L C 2.453 179.311 176.870 -0.019 0.000 1.079 129 L CA 0.985 55.818 54.840 -0.011 0.000 0.752 129 L CB -0.426 41.622 42.059 -0.019 0.000 0.906 129 L HN 0.052 nan 8.230 nan 0.000 0.436 130 I N -0.004 120.554 120.570 -0.020 0.000 2.226 130 I HA -0.282 3.891 4.170 0.005 0.000 0.245 130 I C 2.086 178.191 176.117 -0.020 0.000 1.100 130 I CA 1.155 62.441 61.300 -0.023 0.000 1.374 130 I CB -0.360 37.627 38.000 -0.021 0.000 1.057 130 I HN 0.269 nan 8.210 nan 0.000 0.413 131 D N 0.706 121.098 120.400 -0.014 0.000 2.117 131 D HA -0.165 4.477 4.640 0.005 0.000 0.197 131 D C 2.143 178.436 176.300 -0.012 0.000 0.987 131 D CA 0.913 54.906 54.000 -0.013 0.000 0.829 131 D CB -0.296 40.498 40.800 -0.010 0.000 0.961 131 D HN 0.157 nan 8.370 nan 0.000 0.460 132 L N 0.862 122.083 121.223 -0.003 0.000 2.012 132 L HA -0.139 4.204 4.340 0.005 0.000 0.210 132 L C 2.153 179.004 176.870 -0.031 0.000 1.073 132 L CA 1.390 56.234 54.840 0.006 0.000 0.748 132 L CB -0.895 41.187 42.059 0.039 0.000 0.891 132 L HN 0.090 nan 8.230 nan 0.000 0.431 133 L N 0.115 121.308 121.223 -0.051 0.000 2.191 133 L HA -0.213 4.130 4.340 0.005 0.000 0.212 133 L C 2.003 178.841 176.870 -0.052 0.000 1.103 133 L CA 0.900 55.691 54.840 -0.081 0.000 0.769 133 L CB -0.553 41.459 42.059 -0.078 0.000 0.908 133 L HN 0.391 nan 8.230 nan 0.000 0.438 134 N N -0.647 118.038 118.700 -0.026 0.000 2.422 134 N HA -0.014 4.729 4.740 0.005 0.000 0.181 134 N C 1.010 176.528 175.510 0.014 0.000 1.080 134 N CA 0.449 53.495 53.050 -0.006 0.000 0.893 134 N CB 0.189 38.672 38.487 -0.008 0.000 0.973 134 N HN 0.325 nan 8.380 nan 0.000 0.456 135 S N 0.227 115.935 115.700 0.014 0.000 2.652 135 S HA 0.238 4.711 4.470 0.005 0.000 0.267 135 S C 0.781 175.448 174.600 0.113 0.000 1.201 135 S CA -0.369 57.852 58.200 0.035 0.000 0.996 135 S CB 1.240 64.441 63.200 0.001 0.000 1.054 135 S HN -0.049 nan 8.310 nan 0.000 0.561 136 E N 0.035 120.327 120.200 0.154 0.000 2.444 136 E HA 0.342 4.695 4.350 0.005 0.000 0.191 136 E C -0.172 176.725 176.600 0.495 0.000 1.041 136 E CA -0.009 56.578 56.400 0.312 0.000 0.883 136 E CB -0.173 29.614 29.700 0.146 0.000 1.024 136 E HN 0.500 nan 8.360 nan 0.000 0.470 137 L N -0.130 121.291 121.223 0.330 0.000 2.304 137 L HA 0.755 5.098 4.340 0.005 0.000 0.268 137 L C -0.058 176.932 176.870 0.201 0.000 1.010 137 L CA -1.077 53.984 54.840 0.369 0.000 0.813 137 L CB 1.602 43.734 42.059 0.122 0.000 1.315 137 L HN -0.168 nan 8.230 nan 0.000 0.445 138 A N 1.007 123.980 122.820 0.254 0.000 2.549 138 A HA 0.794 5.116 4.320 0.005 0.000 0.297 138 A C -2.817 174.868 177.584 0.169 0.000 1.061 138 A CA -1.364 50.679 52.037 0.011 0.000 0.690 138 A CB 1.858 20.665 19.000 -0.323 0.000 1.287 138 A HN 0.362 nan 8.150 nan 0.000 0.402 139 P HA 0.364 nan 4.420 nan 0.000 0.275 139 P C -0.284 176.943 177.300 -0.121 0.000 1.228 139 P CA 0.095 63.074 63.100 -0.202 0.000 0.786 139 P CB 1.255 32.830 31.700 -0.207 0.000 0.927 140 A N 3.566 126.290 122.820 -0.160 0.000 2.391 140 A HA 0.448 4.771 4.320 0.005 0.000 0.316 140 A C -0.133 177.391 177.584 -0.099 0.000 1.381 140 A CA -0.398 51.593 52.037 -0.076 0.000 0.998 140 A CB -0.442 18.528 19.000 -0.050 0.000 1.147 140 A HN 0.354 nan 8.150 nan 0.000 0.545 141 V N 5.556 125.415 119.914 -0.091 0.000 2.495 141 V HA 0.414 4.537 4.120 0.005 0.000 0.298 141 V C -2.163 173.833 176.094 -0.162 0.000 1.031 141 V CA -1.838 60.386 62.300 -0.127 0.000 0.871 141 V CB 1.982 33.760 31.823 -0.075 0.000 0.988 141 V HN 0.788 nan 8.190 nan 0.000 0.432 142 P HA 0.064 nan 4.420 nan 0.000 0.268 142 P C 0.665 177.879 177.300 -0.144 0.000 1.205 142 P CA 0.107 63.068 63.100 -0.232 0.000 0.771 142 P CB 0.950 32.434 31.700 -0.361 0.000 0.858 143 S N 2.527 118.177 115.700 -0.083 0.000 2.496 143 S HA 0.039 4.512 4.470 0.005 0.000 0.224 143 S C 0.818 175.398 174.600 -0.032 0.000 0.996 143 S CA 0.052 58.225 58.200 -0.045 0.000 0.927 143 S CB -0.078 63.109 63.200 -0.022 0.000 0.774 143 S HN 0.413 nan 8.310 nan 0.000 0.524 144 R N -0.345 120.131 120.500 -0.040 0.000 2.732 144 R HA 0.640 4.983 4.340 0.005 0.000 0.278 144 R C 0.727 177.018 176.300 -0.015 0.000 0.976 144 R CA -0.088 56.000 56.100 -0.020 0.000 0.963 144 R CB 1.603 31.894 30.300 -0.015 0.000 1.150 144 R HN 0.293 nan 8.270 nan 0.000 0.478 145 G N 0.189 108.991 108.800 0.003 0.000 2.624 145 G HA2 -0.213 3.749 3.960 0.005 0.000 0.190 145 G HA3 -0.213 3.749 3.960 0.005 0.000 0.190 145 G C 0.066 174.979 174.900 0.021 0.000 1.008 145 G CA -0.052 45.058 45.100 0.016 0.000 0.731 145 G HN 0.602 nan 8.290 nan 0.000 0.478 146 T N 0.729 115.293 114.554 0.017 0.000 2.902 146 T HA 0.532 4.885 4.350 0.005 0.000 0.283 146 T C 1.412 176.127 174.700 0.025 0.000 1.009 146 T CA 0.446 62.557 62.100 0.018 0.000 1.051 146 T CB 1.643 70.520 68.868 0.014 0.000 0.999 146 T HN 1.125 nan 8.240 nan 0.000 0.474 147 V N 1.342 121.273 119.914 0.028 0.000 3.444 147 V HA 0.601 4.724 4.120 0.005 0.000 0.308 147 V C 1.179 177.302 176.094 0.049 0.000 1.371 147 V CA 0.149 62.473 62.300 0.040 0.000 1.141 147 V CB -1.324 30.524 31.823 0.042 0.000 1.037 147 V HN 1.361 nan 8.190 nan 0.000 0.433 153 L N -0.293 120.901 121.223 -0.047 0.000 2.012 153 L HA -0.151 4.192 4.340 0.005 0.000 0.210 153 L C 2.400 179.225 176.870 -0.075 0.000 1.073 153 L CA 1.474 56.265 54.840 -0.081 0.000 0.748 153 L CB -0.634 41.355 42.059 -0.117 0.000 0.891 153 L HN 0.101 nan 8.230 nan 0.000 0.431 154 T N 0.429 114.960 114.554 -0.038 0.000 2.652 154 T HA -0.090 4.263 4.350 0.005 0.000 0.267 154 T C -0.460 174.306 174.700 0.110 0.000 1.039 154 T CA 1.816 63.926 62.100 0.017 0.000 1.153 154 T CB -1.101 67.799 68.868 0.054 0.000 0.863 154 T HN 0.312 nan 8.240 nan 0.000 0.428 155 P HA 0.017 nan 4.420 nan 0.000 0.218 155 P C 1.529 178.857 177.300 0.047 0.000 1.149 155 P CA 0.963 64.103 63.100 0.067 0.000 0.817 155 P CB -0.198 31.507 31.700 0.009 0.000 0.785 156 L N -0.750 120.473 121.223 0.001 0.000 2.156 156 L HA -0.029 4.313 4.340 0.005 0.000 0.208 156 L C 2.756 179.594 176.870 -0.054 0.000 1.095 156 L CA 1.156 55.980 54.840 -0.027 0.000 0.770 156 L CB -0.943 41.094 42.059 -0.038 0.000 0.914 156 L HN -0.064 nan 8.230 nan 0.000 0.439 157 A N -0.931 121.836 122.820 -0.088 0.000 1.930 157 A HA -0.212 4.111 4.320 0.005 0.000 0.217 157 A C 2.113 179.587 177.584 -0.182 0.000 1.175 157 A CA 1.205 53.139 52.037 -0.172 0.000 0.627 157 A CB -0.679 18.163 19.000 -0.262 0.000 0.815 157 A HN 0.394 nan 8.150 nan 0.000 0.443 158 H N -1.107 117.909 119.070 -0.090 0.000 2.389 158 H HA -0.099 4.459 4.556 0.004 0.000 0.299 158 H C 2.106 177.368 175.328 -0.109 0.000 1.081 158 H CA 1.762 57.758 56.048 -0.088 0.000 1.345 158 H CB -0.249 29.465 29.762 -0.080 0.000 1.393 158 H HN 0.617 nan 8.280 nan 0.000 0.520 159 M N 0.585 120.189 119.600 0.006 0.000 2.086 159 M HA -0.157 4.326 4.480 0.005 0.000 0.261 159 M C 2.152 178.409 176.300 -0.072 0.000 1.067 159 M CA 1.383 56.650 55.300 -0.056 0.000 1.116 159 M CB -0.225 32.348 32.600 -0.045 0.000 1.348 159 M HN -0.013 nan 8.290 nan 0.000 0.407 160 V N 1.512 121.387 119.914 -0.065 0.000 2.252 160 V HA -0.333 3.790 4.120 0.005 0.000 0.249 160 V C 2.508 178.566 176.094 -0.061 0.000 1.056 160 V CA 2.139 64.402 62.300 -0.062 0.000 1.022 160 V CB -0.841 30.934 31.823 -0.080 0.000 0.641 160 V HN 0.569 nan 8.190 nan 0.000 0.445 161 L N -0.988 120.188 121.223 -0.078 0.000 2.079 161 L HA -0.248 4.095 4.340 0.005 0.000 0.210 161 L C 2.625 179.452 176.870 -0.071 0.000 1.081 161 L CA 1.705 56.509 54.840 -0.060 0.000 0.752 161 L CB -0.719 41.300 42.059 -0.067 0.000 0.896 161 L HN 0.426 nan 8.230 nan 0.000 0.433 162 C N -0.235 118.979 119.300 -0.144 0.000 2.432 162 C HA -0.136 4.327 4.460 0.005 0.000 0.277 162 C C 2.631 177.510 174.990 -0.185 0.000 1.249 162 C CA 0.391 59.209 59.018 -0.333 0.000 1.725 162 C CB -0.783 26.614 27.740 -0.572 0.000 2.028 162 C HN 0.439 nan 8.230 nan 0.000 0.477 163 L N 0.341 121.539 121.223 -0.042 0.000 2.456 163 L HA -0.144 4.198 4.340 0.005 0.000 0.224 163 L C 2.336 179.279 176.870 0.121 0.000 1.148 163 L CA 1.184 56.101 54.840 0.129 0.000 0.825 163 L CB -0.626 41.476 42.059 0.072 0.000 0.937 163 L HN 0.529 nan 8.230 nan 0.000 0.450 164 Q N -0.396 119.444 119.800 0.066 0.000 2.319 164 Q HA 0.139 4.482 4.340 0.005 0.000 0.202 164 Q C 1.320 177.371 176.000 0.086 0.000 0.896 164 Q CA 0.487 56.326 55.803 0.061 0.000 0.942 164 Q CB 0.756 29.510 28.738 0.028 0.000 1.083 164 Q HN 0.533 nan 8.270 nan 0.000 0.510 165 G N 1.807 110.686 108.800 0.131 0.000 2.136 165 G HA2 -0.308 3.654 3.960 0.005 0.000 0.242 165 G HA3 -0.308 3.654 3.960 0.005 0.000 0.242 165 G C 0.575 175.531 174.900 0.093 0.000 0.989 165 G CA 0.132 45.329 45.100 0.162 0.000 0.682 165 G HN 0.313 nan 8.290 nan 0.000 0.522 166 R N 0.002 120.530 120.500 0.046 0.000 2.468 166 R HA 0.449 4.792 4.340 0.005 0.000 0.280 166 R C 1.055 177.356 176.300 0.001 0.000 0.963 166 R CA 0.523 56.639 56.100 0.027 0.000 1.083 166 R CB 0.846 31.162 30.300 0.028 0.000 1.200 166 R HN 0.505 nan 8.270 nan 0.000 0.541 167 G N -0.258 108.521 108.800 -0.034 0.000 2.690 167 G HA2 0.241 4.204 3.960 0.005 0.000 0.293 167 G HA3 0.241 4.204 3.960 0.005 0.000 0.293 167 G C -1.427 173.386 174.900 -0.145 0.000 1.399 167 G CA -0.657 44.394 45.100 -0.081 0.000 0.890 167 G HN -0.135 nan 8.290 nan 0.000 0.485 168 D N -0.441 119.897 120.400 -0.103 0.000 2.361 168 D HA 0.513 5.156 4.640 0.005 0.000 0.239 168 D C -0.470 175.704 176.300 -0.211 0.000 1.200 168 D CA 0.637 54.605 54.000 -0.053 0.000 0.915 168 D CB 0.781 41.584 40.800 0.005 0.000 1.170 168 D HN 0.090 nan 8.370 nan 0.000 0.444 169 F N -0.553 119.425 119.950 0.046 0.000 2.598 169 F HA 0.519 5.050 4.527 0.006 0.000 0.327 169 F C -0.140 175.710 175.800 0.084 0.000 1.057 169 F CA -0.877 57.160 58.000 0.061 0.000 0.957 169 F CB 1.202 40.238 39.000 0.060 0.000 1.278 169 F HN -0.057 nan 8.300 nan 0.000 0.484 170 L N 1.660 123.095 121.223 0.353 0.000 2.362 170 L HA 0.440 4.783 4.340 0.005 0.000 0.271 170 L C -0.949 176.149 176.870 0.381 0.000 1.002 170 L CA -1.040 53.981 54.840 0.301 0.000 0.818 170 L CB 1.905 44.142 42.059 0.297 0.000 1.298 170 L HN 0.600 nan 8.230 nan 0.000 0.420 171 D N 1.152 121.665 120.400 0.188 0.000 2.478 171 D HA 0.221 4.863 4.640 0.005 0.000 0.263 171 D C 0.780 176.877 176.300 -0.338 0.000 1.153 171 D CA -0.627 53.394 54.000 0.035 0.000 1.038 171 D CB 0.825 41.608 40.800 -0.028 0.000 1.120 171 D HN 0.331 nan 8.370 nan 0.000 0.564 172 R N -0.611 119.425 120.500 -0.774 0.000 2.170 172 R HA -0.102 4.241 4.340 0.005 0.000 0.242 172 R C 0.732 176.698 176.300 -0.558 0.000 1.145 172 R CA 1.439 56.790 56.100 -1.248 0.000 0.984 172 R CB -0.155 29.530 30.300 -1.025 0.000 0.869 172 R HN 0.523 nan 8.270 nan 0.000 0.455 173 D N -1.286 118.936 120.400 -0.297 0.000 2.348 173 D HA 0.040 4.683 4.640 0.005 0.000 0.211 173 D C 1.222 177.482 176.300 -0.066 0.000 0.998 173 D CA 1.063 54.974 54.000 -0.148 0.000 0.873 173 D CB 0.709 41.447 40.800 -0.104 0.000 0.925 173 D HN 0.454 nan 8.370 nan 0.000 0.524 174 G N 1.439 110.218 108.800 -0.035 0.000 2.176 174 G HA2 -0.255 3.708 3.960 0.005 0.000 0.232 174 G HA3 -0.255 3.708 3.960 0.005 0.000 0.232 174 G C 0.620 175.544 174.900 0.041 0.000 0.986 174 G CA 0.387 45.510 45.100 0.039 0.000 0.643 174 G HN 0.422 nan 8.290 nan 0.000 0.522 175 T N -0.309 114.258 114.554 0.021 0.000 2.870 175 T HA 0.608 4.961 4.350 0.005 0.000 0.300 175 T C 0.555 175.290 174.700 0.059 0.000 0.989 175 T CA -0.277 61.840 62.100 0.028 0.000 1.139 175 T CB 1.198 70.072 68.868 0.010 0.000 0.920 175 T HN 0.515 nan 8.240 nan 0.000 0.537 176 R N 2.373 122.909 120.500 0.060 0.000 2.441 176 R HA 0.593 4.936 4.340 0.005 0.000 0.284 176 R C -0.338 176.014 176.300 0.087 0.000 1.070 176 R CA -0.649 55.500 56.100 0.081 0.000 1.047 176 R CB 0.712 31.048 30.300 0.061 0.000 1.016 176 R HN 0.603 nan 8.270 nan 0.000 0.477 177 L N 2.006 123.308 121.223 0.131 0.000 2.381 177 L HA 0.306 4.649 4.340 0.005 0.000 0.268 177 L C -0.267 176.702 176.870 0.165 0.000 0.997 177 L CA -1.317 53.602 54.840 0.131 0.000 0.818 177 L CB 1.914 44.057 42.059 0.141 0.000 1.310 177 L HN 0.681 nan 8.230 nan 0.000 0.416 178 D N 1.316 121.791 120.400 0.124 0.000 2.361 178 D HA 0.072 4.715 4.640 0.005 0.000 0.239 178 D C 1.259 177.683 176.300 0.205 0.000 1.200 178 D CA 0.024 54.099 54.000 0.125 0.000 0.915 178 D CB 0.904 41.753 40.800 0.080 0.000 1.170 178 D HN 0.581 nan 8.370 nan 0.000 0.444 179 G N 0.055 108.970 108.800 0.192 0.000 2.529 179 G HA2 -0.268 3.695 3.960 0.005 0.000 0.219 179 G HA3 -0.268 3.695 3.960 0.005 0.000 0.219 179 G C 1.509 176.554 174.900 0.240 0.000 1.177 179 G CA 1.896 47.166 45.100 0.282 0.000 0.773 179 G HN 0.718 nan 8.290 nan 0.000 0.573 180 A N 0.657 123.556 122.820 0.131 0.000 1.883 180 A HA -0.074 4.249 4.320 0.005 0.000 0.217 180 A C 2.223 179.833 177.584 0.045 0.000 1.186 180 A CA 2.351 54.434 52.037 0.077 0.000 0.624 180 A CB -0.508 18.523 19.000 0.053 0.000 0.822 180 A HN 0.413 nan 8.150 nan 0.000 0.444 181 E N 0.104 120.335 120.200 0.051 0.000 2.110 181 E HA -0.054 4.298 4.350 0.005 0.000 0.193 181 E C 1.942 178.517 176.600 -0.042 0.000 0.988 181 E CA 1.550 57.960 56.400 0.016 0.000 0.804 181 E CB -0.805 28.917 29.700 0.036 0.000 0.745 181 E HN 0.420 nan 8.360 nan 0.000 0.458 182 G N 0.605 109.374 108.800 -0.052 0.000 2.404 182 G HA2 -0.206 3.756 3.960 0.005 0.000 0.215 182 G HA3 -0.206 3.756 3.960 0.005 0.000 0.215 182 G C 1.604 176.182 174.900 -0.536 0.000 1.174 182 G CA 0.861 45.709 45.100 -0.421 0.000 0.780 182 G HN 0.310 nan 8.290 nan 0.000 0.537 183 L N -0.094 120.940 121.223 -0.315 0.000 2.083 183 L HA -0.060 4.283 4.340 0.005 0.000 0.209 183 L C 2.906 179.696 176.870 -0.133 0.000 1.083 183 L CA 1.340 56.064 54.840 -0.193 0.000 0.752 183 L CB -0.424 41.615 42.059 -0.032 0.000 0.899 183 L HN 0.216 nan 8.230 nan 0.000 0.433 184 R N 0.573 121.017 120.500 -0.094 0.000 2.075 184 R HA -0.193 4.150 4.340 0.005 0.000 0.230 184 R C 2.550 178.806 176.300 -0.074 0.000 1.140 184 R CA 1.677 57.740 56.100 -0.062 0.000 0.928 184 R CB -0.249 30.029 30.300 -0.036 0.000 0.834 184 R HN 0.138 nan 8.270 nan 0.000 0.429 185 R N -0.526 119.923 120.500 -0.086 0.000 2.096 185 R HA -0.118 4.225 4.340 0.005 0.000 0.240 185 R C 1.931 178.180 176.300 -0.085 0.000 1.139 185 R CA 1.978 58.033 56.100 -0.075 0.000 0.952 185 R CB -0.621 29.637 30.300 -0.071 0.000 0.854 185 R HN 0.465 nan 8.270 nan 0.000 0.436 186 G N -0.409 108.308 108.800 -0.139 0.000 2.985 186 G HA2 -0.050 3.912 3.960 0.005 0.000 0.209 186 G HA3 -0.050 3.912 3.960 0.005 0.000 0.209 186 G C -0.246 174.598 174.900 -0.093 0.000 1.165 186 G CA -0.198 44.829 45.100 -0.122 0.000 0.776 186 G HN 0.368 nan 8.290 nan 0.000 0.541 187 R N -1.052 119.398 120.500 -0.084 0.000 3.205 187 R HA -0.136 4.206 4.340 0.005 0.000 0.249 187 R C -0.763 175.504 176.300 -0.056 0.000 0.937 187 R CA 0.322 56.388 56.100 -0.056 0.000 0.641 187 R CB -2.180 28.098 30.300 -0.037 0.000 1.114 187 R HN 0.335 nan 8.270 nan 0.000 0.451 188 L N 0.892 122.070 121.223 -0.075 0.000 2.329 188 L HA 0.365 4.708 4.340 0.005 0.000 0.279 188 L C 0.664 177.521 176.870 -0.022 0.000 1.014 188 L CA -0.805 54.003 54.840 -0.053 0.000 0.814 188 L CB 1.899 43.905 42.059 -0.088 0.000 1.257 188 L HN 0.130 nan 8.230 nan 0.000 0.424 189 Q N 3.734 123.533 119.800 -0.001 0.000 2.235 189 Q HA 0.321 4.663 4.340 0.005 0.000 0.250 189 Q C -2.231 173.788 176.000 0.031 0.000 0.909 189 Q CA -1.891 53.919 55.803 0.012 0.000 0.910 189 Q CB 1.270 30.014 28.738 0.010 0.000 1.223 189 Q HN 0.328 nan 8.270 nan 0.000 0.432 190 P HA -0.084 nan 4.420 nan 0.000 0.264 190 P C -0.584 176.742 177.300 0.044 0.000 1.193 190 P CA -0.258 62.873 63.100 0.052 0.000 0.763 190 P CB 0.486 32.214 31.700 0.046 0.000 0.810 191 L N 3.388 124.640 121.223 0.049 0.000 2.540 191 L HA 0.116 4.458 4.340 0.005 0.000 0.276 191 L C -0.019 176.870 176.870 0.032 0.000 1.212 191 L CA 0.741 55.603 54.840 0.035 0.000 0.893 191 L CB -0.571 41.506 42.059 0.030 0.000 1.138 191 L HN 0.339 nan 8.230 nan 0.000 0.491 192 D N 4.229 124.651 120.400 0.036 0.000 2.471 192 D HA 0.273 4.916 4.640 0.005 0.000 0.245 192 D C -0.189 176.152 176.300 0.068 0.000 1.116 192 D CA -0.214 53.815 54.000 0.049 0.000 0.853 192 D CB 0.710 41.547 40.800 0.062 0.000 1.123 192 D HN 0.598 nan 8.370 nan 0.000 0.540 193 L N 3.214 124.468 121.223 0.052 0.000 2.783 193 L HA 0.138 4.481 4.340 0.005 0.000 0.236 193 L C 1.808 178.721 176.870 0.072 0.000 1.225 193 L CA -0.149 54.728 54.840 0.061 0.000 1.026 193 L CB -0.201 41.871 42.059 0.023 0.000 1.314 193 L HN 0.419 nan 8.230 nan 0.000 0.489 194 S N -2.158 113.590 115.700 0.081 0.000 2.442 194 S HA -0.206 4.267 4.470 0.005 0.000 0.236 194 S C 1.464 176.029 174.600 -0.058 0.000 1.007 194 S CA 0.924 59.122 58.200 -0.003 0.000 0.965 194 S CB -0.431 62.737 63.200 -0.053 0.000 0.773 194 S HN 0.529 nan 8.310 nan 0.000 0.504 195 H N 1.518 120.582 119.070 -0.009 0.000 2.556 195 H HA 0.355 4.913 4.556 0.004 0.000 0.268 195 H C 0.568 175.889 175.328 -0.013 0.000 0.996 195 H CA 0.427 56.467 56.048 -0.015 0.000 1.157 195 H CB -0.118 29.633 29.762 -0.019 0.000 1.355 195 H HN 0.377 nan 8.280 nan 0.000 0.597 196 R N 0.800 121.351 120.500 0.086 0.000 3.532 196 R HA -0.128 4.215 4.340 0.005 0.000 0.284 196 R C -0.795 175.552 176.300 0.079 0.000 1.140 196 R CA 0.825 56.963 56.100 0.063 0.000 0.768 196 R CB -1.878 28.445 30.300 0.039 0.000 1.252 196 R HN 0.515 nan 8.270 nan 0.000 0.454 197 D N -0.997 119.453 120.400 0.084 0.000 2.615 197 D HA 0.242 4.884 4.640 0.005 0.000 0.236 197 D C 1.205 177.546 176.300 0.068 0.000 1.233 197 D CA 0.289 54.334 54.000 0.076 0.000 0.829 197 D CB 0.367 41.197 40.800 0.050 0.000 1.024 197 D HN 0.294 nan 8.370 nan 0.000 0.490 198 A N 0.472 123.330 122.820 0.063 0.000 2.019 198 A HA -0.060 4.263 4.320 0.005 0.000 0.219 198 A C 2.111 179.720 177.584 0.042 0.000 1.164 198 A CA 0.620 52.677 52.037 0.033 0.000 0.644 198 A CB -0.564 18.445 19.000 0.014 0.000 0.805 198 A HN 0.381 nan 8.150 nan 0.000 0.449 199 L N -1.062 120.219 121.223 0.097 0.000 2.551 199 L HA -0.076 4.267 4.340 0.005 0.000 0.228 199 L C 2.693 179.623 176.870 0.100 0.000 1.153 199 L CA 0.590 55.501 54.840 0.118 0.000 0.851 199 L CB -0.339 41.842 42.059 0.204 0.000 0.959 199 L HN 0.470 nan 8.230 nan 0.000 0.451 200 A N -0.356 122.518 122.820 0.090 0.000 2.072 200 A HA 0.033 4.355 4.320 0.005 0.000 0.216 200 A C 2.078 179.684 177.584 0.036 0.000 1.156 200 A CA 0.730 52.812 52.037 0.074 0.000 0.701 200 A CB -0.032 19.011 19.000 0.071 0.000 0.816 200 A HN 0.385 nan 8.150 nan 0.000 0.458 201 L N -1.070 120.164 121.223 0.019 0.000 2.425 201 L HA 0.125 4.468 4.340 0.005 0.000 0.215 201 L C 0.079 176.938 176.870 -0.018 0.000 1.065 201 L CA 0.255 55.092 54.840 -0.004 0.000 0.842 201 L CB 0.344 42.394 42.059 -0.015 0.000 1.033 201 L HN 0.047 nan 8.230 nan 0.000 0.474 202 V N 1.856 121.755 119.914 -0.025 0.000 2.218 202 V HA 0.365 4.488 4.120 0.005 0.000 0.261 202 V C -0.456 175.624 176.094 -0.025 0.000 1.142 202 V CA -0.215 62.053 62.300 -0.052 0.000 0.965 202 V CB -0.231 31.526 31.823 -0.110 0.000 1.190 202 V HN 0.318 nan 8.190 nan 0.000 0.478 203 N N 1.591 120.287 118.700 -0.006 0.000 3.227 203 N HA 0.540 5.283 4.740 0.005 0.000 0.241 203 N C 0.068 175.600 175.510 0.037 0.000 1.480 203 N CA 0.578 53.641 53.050 0.022 0.000 0.886 203 N CB 2.344 40.861 38.487 0.051 0.000 1.406 203 N HN 0.693 nan 8.380 nan 0.000 0.514 204 G N 0.024 108.877 108.800 0.087 0.000 2.645 204 G HA2 -0.252 3.711 3.960 0.005 0.000 0.246 204 G HA3 -0.252 3.711 3.960 0.005 0.000 0.246 204 G C 0.151 175.097 174.900 0.077 0.000 1.322 204 G CA 0.529 45.687 45.100 0.096 0.000 0.898 204 G HN 1.145 nan 8.290 nan 0.000 0.573 205 T N -3.181 111.403 114.554 0.051 0.000 3.275 205 T HA 0.599 4.952 4.350 0.005 0.000 0.265 205 T C 1.697 176.404 174.700 0.010 0.000 0.978 205 T CA 0.877 62.999 62.100 0.036 0.000 0.923 205 T CB 0.494 69.381 68.868 0.031 0.000 1.126 205 T HN 0.773 nan 8.240 nan 0.000 0.538 206 S N 1.623 117.326 115.700 0.004 0.000 2.370 206 S HA -0.049 4.424 4.470 0.005 0.000 0.226 206 S C 2.493 177.086 174.600 -0.012 0.000 1.033 206 S CA 1.247 59.441 58.200 -0.011 0.000 1.011 206 S CB -0.600 62.591 63.200 -0.015 0.000 0.852 206 S HN 0.837 nan 8.310 nan 0.000 0.457 207 A N 2.756 125.573 122.820 -0.005 0.000 1.858 207 A HA -0.125 4.198 4.320 0.005 0.000 0.216 207 A C 2.295 179.882 177.584 0.005 0.000 1.190 207 A CA 1.901 53.935 52.037 -0.004 0.000 0.617 207 A CB -0.843 18.157 19.000 -0.001 0.000 0.827 207 A HN 0.665 nan 8.150 nan 0.000 0.443 208 M N -1.506 118.101 119.600 0.012 0.000 2.159 208 M HA -0.092 4.391 4.480 0.005 0.000 0.263 208 M C 1.839 178.147 176.300 0.014 0.000 1.063 208 M CA 2.334 57.646 55.300 0.020 0.000 1.110 208 M CB -1.368 31.247 32.600 0.024 0.000 1.374 208 M HN 0.170 nan 8.290 nan 0.000 0.411 209 T N 1.172 115.725 114.554 -0.002 0.000 2.777 209 T HA -0.011 4.341 4.350 0.005 0.000 0.266 209 T C 1.981 176.677 174.700 -0.006 0.000 1.040 209 T CA 1.694 63.784 62.100 -0.018 0.000 1.141 209 T CB -0.817 68.032 68.868 -0.032 0.000 0.868 209 T HN 0.719 nan 8.240 nan 0.000 0.444 210 G N 1.394 110.189 108.800 -0.007 0.000 2.421 210 G HA2 -0.142 3.821 3.960 0.005 0.000 0.216 210 G HA3 -0.142 3.821 3.960 0.005 0.000 0.216 210 G C 1.529 176.442 174.900 0.021 0.000 1.171 210 G CA 0.577 45.672 45.100 -0.008 0.000 0.775 210 G HN 0.487 nan 8.290 nan 0.000 0.543 211 I N 1.539 122.127 120.570 0.029 0.000 2.163 211 I HA -0.216 3.956 4.170 0.005 0.000 0.243 211 I C 3.273 179.442 176.117 0.086 0.000 1.085 211 I CA 1.155 62.487 61.300 0.054 0.000 1.347 211 I CB -0.203 37.826 38.000 0.048 0.000 1.044 211 I HN 0.243 nan 8.210 nan 0.000 0.408 212 A N 1.103 123.977 122.820 0.090 0.000 1.969 212 A HA -0.156 4.166 4.320 0.005 0.000 0.218 212 A C 2.241 179.931 177.584 0.176 0.000 1.169 212 A CA 1.736 53.866 52.037 0.156 0.000 0.635 212 A CB -0.790 18.281 19.000 0.118 0.000 0.810 212 A HN 0.518 nan 8.150 nan 0.000 0.445 213 L N -2.005 119.283 121.223 0.108 0.000 2.141 213 L HA 0.014 4.357 4.340 0.005 0.000 0.209 213 L C 1.969 178.947 176.870 0.179 0.000 1.094 213 L CA 1.581 56.492 54.840 0.119 0.000 0.763 213 L CB -1.094 41.003 42.059 0.062 0.000 0.908 213 L HN -0.001 nan 8.230 nan 0.000 0.437 214 V N 0.876 120.896 119.914 0.176 0.000 2.453 214 V HA -0.169 3.954 4.120 0.005 0.000 0.247 214 V C 2.471 178.686 176.094 0.201 0.000 1.048 214 V CA 1.699 64.143 62.300 0.239 0.000 1.049 214 V CB -0.949 30.982 31.823 0.179 0.000 0.672 214 V HN 0.509 nan 8.190 nan 0.000 0.457 215 N N 0.866 119.659 118.700 0.156 0.000 2.120 215 N HA -0.131 4.612 4.740 0.005 0.000 0.188 215 N C 1.915 177.479 175.510 0.089 0.000 1.024 215 N CA 1.704 54.823 53.050 0.115 0.000 0.852 215 N CB -0.550 37.989 38.487 0.086 0.000 1.003 215 N HN 0.478 nan 8.380 nan 0.000 0.424 216 A N 0.272 123.172 122.820 0.133 0.000 1.908 216 A HA -0.213 4.110 4.320 0.005 0.000 0.218 216 A C 2.117 179.721 177.584 0.034 0.000 1.181 216 A CA 1.891 53.989 52.037 0.102 0.000 0.627 216 A CB -0.945 18.170 19.000 0.191 0.000 0.818 216 A HN 0.465 nan 8.150 nan 0.000 0.445 217 H N -0.333 118.702 119.070 -0.057 0.000 2.357 217 H HA 0.102 4.660 4.556 0.004 0.000 0.301 217 H C 2.173 177.416 175.328 -0.142 0.000 1.082 217 H CA 1.754 57.676 56.048 -0.209 0.000 1.342 217 H CB -0.187 29.287 29.762 -0.481 0.000 1.389 217 H HN 0.397 nan 8.280 nan 0.000 0.511 218 A N -0.446 122.398 122.820 0.039 0.000 1.930 218 A HA -0.157 4.166 4.320 0.005 0.000 0.217 218 A C 2.647 180.225 177.584 -0.010 0.000 1.175 218 A CA 1.389 53.459 52.037 0.056 0.000 0.627 218 A CB -1.149 17.918 19.000 0.112 0.000 0.815 218 A HN 0.637 nan 8.150 nan 0.000 0.443 219 C N -1.304 118.003 119.300 0.012 0.000 2.435 219 C HA -0.011 4.451 4.460 0.005 0.000 0.279 219 C C 2.768 177.736 174.990 -0.036 0.000 1.321 219 C CA 1.065 60.132 59.018 0.081 0.000 1.752 219 C CB -1.294 26.528 27.740 0.136 0.000 1.959 219 C HN 0.731 nan 8.230 nan 0.000 0.500 220 R N 0.001 120.382 120.500 -0.198 0.000 2.073 220 R HA -0.140 4.203 4.340 0.005 0.000 0.234 220 R C 2.259 178.358 176.300 -0.334 0.000 1.134 220 R CA 1.611 57.513 56.100 -0.331 0.000 0.952 220 R CB -0.439 29.564 30.300 -0.495 0.000 0.850 220 R HN 0.594 nan 8.270 nan 0.000 0.433 221 H N 0.538 119.467 119.070 -0.236 0.000 2.353 221 H HA -0.099 4.460 4.556 0.004 0.000 0.300 221 H C 2.181 177.482 175.328 -0.044 0.000 1.090 221 H CA 1.634 57.591 56.048 -0.152 0.000 1.327 221 H CB -0.199 29.480 29.762 -0.139 0.000 1.383 221 H HN 0.254 nan 8.280 nan 0.000 0.508 222 L N -0.277 120.910 121.223 -0.061 0.000 2.093 222 L HA -0.075 4.268 4.340 0.005 0.000 0.208 222 L C 2.742 179.435 176.870 -0.296 0.000 1.085 222 L CA 1.040 55.657 54.840 -0.373 0.000 0.755 222 L CB -0.748 40.718 42.059 -0.988 0.000 0.904 222 L HN 0.299 nan 8.230 nan 0.000 0.435 223 G N -0.147 108.620 108.800 -0.055 0.000 2.422 223 G HA2 -0.248 3.715 3.960 0.005 0.000 0.218 223 G HA3 -0.248 3.715 3.960 0.005 0.000 0.218 223 G C 1.399 176.383 174.900 0.140 0.000 1.146 223 G CA 0.472 45.720 45.100 0.246 0.000 0.769 223 G HN 0.308 nan 8.290 nan 0.000 0.547 224 N N 0.096 118.772 118.700 -0.041 0.000 2.188 224 N HA -0.084 4.659 4.740 0.005 0.000 0.184 224 N C 1.845 177.268 175.510 -0.145 0.000 1.018 224 N CA 0.829 53.801 53.050 -0.130 0.000 0.858 224 N CB -0.333 38.011 38.487 -0.238 0.000 0.989 224 N HN 0.579 nan 8.380 nan 0.000 0.426 225 W N 1.634 122.885 121.300 -0.082 0.000 2.388 225 W HA 0.044 4.707 4.660 0.005 0.000 0.294 225 W C 2.495 178.988 176.519 -0.045 0.000 1.212 225 W CA 1.150 58.444 57.345 -0.085 0.000 1.271 225 W CB -0.403 28.961 29.460 -0.160 0.000 1.126 225 W HN 0.030 nan 8.180 nan 0.000 0.535 226 A N -0.144 122.794 122.820 0.197 0.000 1.940 226 A HA -0.185 4.138 4.320 0.005 0.000 0.219 226 A C 1.980 179.649 177.584 0.141 0.000 1.176 226 A CA 2.194 54.360 52.037 0.215 0.000 0.631 226 A CB -1.080 18.139 19.000 0.364 0.000 0.814 226 A HN 0.107 nan 8.150 nan 0.000 0.446 227 V N -0.416 119.566 119.914 0.113 0.000 2.323 227 V HA -0.176 3.947 4.120 0.005 0.000 0.244 227 V C 3.045 179.126 176.094 -0.022 0.000 1.041 227 V CA 1.835 64.147 62.300 0.019 0.000 1.025 227 V CB -1.180 30.661 31.823 0.031 0.000 0.656 227 V HN 0.600 nan 8.190 nan 0.000 0.451 228 A N -0.393 122.410 122.820 -0.029 0.000 1.972 228 A HA -0.109 4.214 4.320 0.005 0.000 0.219 228 A C 2.177 179.788 177.584 0.045 0.000 1.169 228 A CA 1.584 53.596 52.037 -0.041 0.000 0.635 228 A CB -0.463 18.434 19.000 -0.171 0.000 0.810 228 A HN 0.517 nan 8.150 nan 0.000 0.446 229 L N -1.225 120.061 121.223 0.106 0.000 2.179 229 L HA -0.074 4.269 4.340 0.005 0.000 0.208 229 L C 2.608 179.543 176.870 0.109 0.000 1.096 229 L CA 1.379 56.297 54.840 0.131 0.000 0.779 229 L CB -0.691 41.466 42.059 0.164 0.000 0.922 229 L HN 0.298 nan 8.230 nan 0.000 0.443 230 T N 0.121 114.729 114.554 0.090 0.000 2.777 230 T HA -0.106 4.247 4.350 0.005 0.000 0.266 230 T C 2.048 176.857 174.700 0.183 0.000 1.040 230 T CA 1.283 63.447 62.100 0.106 0.000 1.141 230 T CB -0.085 68.792 68.868 0.015 0.000 0.868 230 T HN 0.414 nan 8.240 nan 0.000 0.444 231 A N 1.226 124.119 122.820 0.122 0.000 1.902 231 A HA 0.008 4.331 4.320 0.005 0.000 0.217 231 A C 2.188 179.895 177.584 0.206 0.000 1.181 231 A CA 1.149 53.324 52.037 0.230 0.000 0.623 231 A CB -0.716 18.352 19.000 0.114 0.000 0.818 231 A HN 0.404 nan 8.150 nan 0.000 0.443 232 L N -0.818 120.484 121.223 0.133 0.000 2.217 232 L HA -0.017 4.326 4.340 0.005 0.000 0.211 232 L C 2.131 179.061 176.870 0.101 0.000 1.107 232 L CA 1.584 56.486 54.840 0.104 0.000 0.783 232 L CB -0.593 41.517 42.059 0.086 0.000 0.919 232 L HN 0.367 nan 8.230 nan 0.000 0.442 233 L N -0.069 121.225 121.223 0.118 0.000 2.046 233 L HA -0.066 4.277 4.340 0.005 0.000 0.208 233 L C 2.479 179.410 176.870 0.102 0.000 1.077 233 L CA 2.034 56.934 54.840 0.100 0.000 0.747 233 L CB -0.998 41.129 42.059 0.115 0.000 0.896 233 L HN 0.239 nan 8.230 nan 0.000 0.432 234 A N -0.802 122.112 122.820 0.156 0.000 1.933 234 A HA -0.205 4.118 4.320 0.005 0.000 0.218 234 A C 2.133 179.744 177.584 0.045 0.000 1.175 234 A CA 1.783 53.876 52.037 0.093 0.000 0.628 234 A CB -0.602 18.467 19.000 0.116 0.000 0.814 234 A HN 0.643 nan 8.150 nan 0.000 0.444 235 E N -1.198 119.044 120.200 0.070 0.000 2.347 235 E HA -0.101 4.251 4.350 0.005 0.000 0.196 235 E C 1.507 178.126 176.600 0.032 0.000 1.008 235 E CA 0.841 57.269 56.400 0.046 0.000 0.852 235 E CB -0.210 29.524 29.700 0.057 0.000 0.783 235 E HN 0.670 nan 8.360 nan 0.000 0.505 236 C N 0.011 119.332 119.300 0.035 0.000 2.673 236 C HA 0.185 4.648 4.460 0.005 0.000 0.264 236 C C 1.588 176.585 174.990 0.012 0.000 1.304 236 C CA -0.016 59.015 59.018 0.022 0.000 1.727 236 C CB -0.176 27.576 27.740 0.021 0.000 1.932 236 C HN 0.308 nan 8.230 nan 0.000 0.563 237 L N -0.046 121.184 121.223 0.012 0.000 3.289 237 L HA 0.292 4.635 4.340 0.005 0.000 0.291 237 L C 0.371 177.234 176.870 -0.011 0.000 1.279 237 L CA -0.102 54.739 54.840 0.002 0.000 1.025 237 L CB -0.252 41.812 42.059 0.008 0.000 1.413 237 L HN 0.203 nan 8.230 nan 0.000 0.593 238 R N 0.506 120.998 120.500 -0.013 0.000 3.405 238 R HA -0.160 4.182 4.340 0.005 0.000 0.258 238 R C 0.732 177.000 176.300 -0.053 0.000 1.030 238 R CA 0.498 56.582 56.100 -0.026 0.000 0.691 238 R CB -1.886 28.400 30.300 -0.022 0.000 1.093 238 R HN 0.526 nan 8.270 nan 0.000 0.448 239 G N 0.698 109.454 108.800 -0.074 0.000 2.491 239 G HA2 0.138 4.101 3.960 0.005 0.000 0.238 239 G HA3 0.138 4.101 3.960 0.005 0.000 0.238 239 G C 0.080 174.843 174.900 -0.229 0.000 1.277 239 G CA -0.490 44.522 45.100 -0.147 0.000 0.851 239 G HN 0.240 nan 8.290 nan 0.000 0.573 240 R N 0.659 120.992 120.500 -0.277 0.000 2.221 240 R HA 0.231 4.574 4.340 0.005 0.000 0.327 240 R C 1.587 177.586 176.300 -0.503 0.000 1.033 240 R CA 0.215 56.147 56.100 -0.280 0.000 0.887 240 R CB 0.881 31.074 30.300 -0.178 0.000 1.057 240 R HN 0.710 nan 8.270 nan 0.000 0.455 241 T N -1.166 113.143 114.554 -0.408 0.000 3.055 241 T HA -0.131 4.221 4.350 0.005 0.000 0.265 241 T C 1.424 175.976 174.700 -0.246 0.000 1.111 241 T CA 0.882 62.719 62.100 -0.439 0.000 1.118 241 T CB -0.032 68.727 68.868 -0.182 0.000 0.909 241 T HN 0.740 nan 8.240 nan 0.000 0.501 242 E N 1.896 121.994 120.200 -0.170 0.000 2.204 242 E HA -0.034 4.319 4.350 0.005 0.000 0.195 242 E C 2.215 178.788 176.600 -0.044 0.000 0.990 242 E CA 0.939 57.295 56.400 -0.072 0.000 0.821 242 E CB -0.579 29.093 29.700 -0.047 0.000 0.750 242 E HN 0.608 nan 8.360 nan 0.000 0.477 243 A N 0.707 123.455 122.820 -0.121 0.000 2.121 243 A HA -0.083 4.240 4.320 0.005 0.000 0.218 243 A C 0.901 178.632 177.584 0.246 0.000 1.154 243 A CA 0.636 52.672 52.037 -0.001 0.000 0.679 243 A CB -0.579 18.387 19.000 -0.058 0.000 0.795 243 A HN 0.495 nan 8.150 nan 0.000 0.458 244 W N -0.440 120.861 121.300 0.002 0.000 3.123 244 W HA 0.608 5.271 4.660 0.005 0.000 0.383 244 W C 0.764 177.286 176.519 0.004 0.000 1.102 244 W CA -1.117 56.230 57.345 0.003 0.000 1.865 244 W CB -1.327 28.138 29.460 0.008 0.000 1.111 244 W HN 0.334 nan 8.180 nan 0.000 0.621 245 A N 0.850 123.781 122.820 0.184 0.000 2.498 245 A HA 0.444 4.767 4.320 0.005 0.000 0.239 245 A C 1.673 179.309 177.584 0.087 0.000 1.068 245 A CA 0.706 52.807 52.037 0.107 0.000 0.766 245 A CB 0.603 19.639 19.000 0.060 0.000 1.003 245 A HN 0.251 nan 8.150 nan 0.000 0.497 246 A N 2.380 125.239 122.820 0.065 0.000 1.933 246 A HA 0.127 4.450 4.320 0.005 0.000 0.218 246 A C 2.358 179.962 177.584 0.034 0.000 1.175 246 A CA 2.221 54.286 52.037 0.047 0.000 0.628 246 A CB -0.967 18.055 19.000 0.036 0.000 0.814 246 A HN 1.753 nan 8.150 nan 0.000 0.444 247 A N -0.243 122.595 122.820 0.030 0.000 1.940 247 A HA -0.099 4.224 4.320 0.005 0.000 0.219 247 A C 2.147 179.743 177.584 0.019 0.000 1.176 247 A CA 1.559 53.608 52.037 0.020 0.000 0.631 247 A CB -0.550 18.459 19.000 0.016 0.000 0.814 247 A HN 0.496 nan 8.150 nan 0.000 0.446 248 L N -0.690 120.551 121.223 0.030 0.000 2.093 248 L HA -0.137 4.205 4.340 0.005 0.000 0.208 248 L C 2.830 179.713 176.870 0.022 0.000 1.085 248 L CA 1.370 56.227 54.840 0.028 0.000 0.755 248 L CB -0.381 41.705 42.059 0.045 0.000 0.904 248 L HN 0.343 nan 8.230 nan 0.000 0.435 249 S N -0.326 115.392 115.700 0.029 0.000 2.368 249 S HA -0.182 4.291 4.470 0.005 0.000 0.225 249 S C 1.476 176.079 174.600 0.004 0.000 1.030 249 S CA 1.304 59.517 58.200 0.023 0.000 0.999 249 S CB -0.266 62.952 63.200 0.030 0.000 0.844 249 S HN 0.446 nan 8.310 nan 0.000 0.459 250 D N 1.393 121.795 120.400 0.003 0.000 2.178 250 D HA -0.014 4.629 4.640 0.005 0.000 0.201 250 D C 1.725 178.012 176.300 -0.022 0.000 0.980 250 D CA 0.678 54.673 54.000 -0.009 0.000 0.842 250 D CB -0.245 40.554 40.800 -0.003 0.000 0.948 250 D HN 0.337 nan 8.370 nan 0.000 0.472 251 L N -0.507 120.705 121.223 -0.018 0.000 2.291 251 L HA 0.018 4.361 4.340 0.005 0.000 0.214 251 L C 1.593 178.435 176.870 -0.048 0.000 1.120 251 L CA 0.553 55.377 54.840 -0.026 0.000 0.799 251 L CB 0.151 42.201 42.059 -0.015 0.000 0.925 251 L HN -0.183 nan 8.230 nan 0.000 0.446 252 R N 0.783 121.249 120.500 -0.056 0.000 2.644 252 R HA 0.193 4.536 4.340 0.005 0.000 0.271 252 R C -2.249 173.963 176.300 -0.146 0.000 1.687 252 R CA -1.431 54.603 56.100 -0.109 0.000 1.655 252 R CB 0.875 31.149 30.300 -0.043 0.000 1.285 252 R HN -0.142 nan 8.270 nan 0.000 0.643 253 P HA -0.066 nan 4.420 nan 0.000 0.248 253 P C -0.738 176.490 177.300 -0.121 0.000 1.553 253 P CA 0.215 63.246 63.100 -0.114 0.000 0.901 253 P CB -0.340 31.309 31.700 -0.084 0.000 1.816 254 H N 1.061 120.131 119.070 0.001 0.000 2.690 254 H HA 0.117 4.676 4.556 0.005 0.000 0.314 254 H C -1.334 174.006 175.328 0.021 0.000 1.069 254 H CA -1.709 54.342 56.048 0.006 0.000 1.436 254 H CB 0.658 30.418 29.762 -0.003 0.000 1.462 254 H HN 0.095 nan 8.280 nan 0.000 0.511 255 P HA -0.166 nan 4.420 nan 0.000 0.216 255 P C 1.645 179.021 177.300 0.125 0.000 1.157 255 P CA 1.741 64.905 63.100 0.107 0.000 0.880 255 P CB 0.111 31.868 31.700 0.094 0.000 0.791 256 G N -0.497 108.394 108.800 0.151 0.000 2.442 256 G HA2 -0.308 3.655 3.960 0.005 0.000 0.219 256 G HA3 -0.308 3.655 3.960 0.005 0.000 0.219 256 G C 1.675 176.668 174.900 0.157 0.000 1.141 256 G CA 0.766 45.986 45.100 0.201 0.000 0.763 256 G HN 0.334 nan 8.290 nan 0.000 0.554 257 Q N 0.091 119.950 119.800 0.098 0.000 2.049 257 Q HA -0.047 4.295 4.340 0.005 0.000 0.198 257 Q C 2.475 178.505 176.000 0.050 0.000 0.971 257 Q CA 1.477 57.306 55.803 0.044 0.000 0.833 257 Q CB -0.212 28.570 28.738 0.074 0.000 0.896 257 Q HN 0.494 nan 8.270 nan 0.000 0.434 258 K N 0.198 120.639 120.400 0.068 0.000 2.063 258 K HA -0.248 4.075 4.320 0.005 0.000 0.208 258 K C 1.663 178.294 176.600 0.051 0.000 1.048 258 K CA 1.961 58.278 56.287 0.050 0.000 0.928 258 K CB -0.190 32.338 32.500 0.046 0.000 0.713 258 K HN 0.212 nan 8.250 nan 0.000 0.442 259 D N -0.216 120.232 120.400 0.081 0.000 2.097 259 D HA -0.102 4.540 4.640 0.005 0.000 0.197 259 D C 1.724 178.088 176.300 0.107 0.000 0.984 259 D CA 1.550 55.603 54.000 0.088 0.000 0.826 259 D CB -0.094 40.773 40.800 0.111 0.000 0.973 259 D HN 0.327 nan 8.370 nan 0.000 0.460 260 A N 0.724 123.639 122.820 0.157 0.000 1.865 260 A HA -0.051 4.272 4.320 0.005 0.000 0.217 260 A C 2.428 179.966 177.584 -0.077 0.000 1.191 260 A CA 2.691 54.782 52.037 0.090 0.000 0.623 260 A CB -1.331 17.611 19.000 -0.097 0.000 0.826 260 A HN 0.336 nan 8.150 nan 0.000 0.444 261 A N -0.222 122.547 122.820 -0.084 0.000 1.883 261 A HA 0.084 4.407 4.320 0.005 0.000 0.217 261 A C 2.561 180.118 177.584 -0.044 0.000 1.186 261 A CA 2.566 54.542 52.037 -0.101 0.000 0.624 261 A CB -1.209 17.789 19.000 -0.005 0.000 0.822 261 A HN 1.203 nan 8.150 nan 0.000 0.444 262 A N -0.369 122.450 122.820 -0.003 0.000 1.908 262 A HA -0.202 4.120 4.320 0.005 0.000 0.218 262 A C 2.245 179.825 177.584 -0.006 0.000 1.181 262 A CA 1.783 53.827 52.037 0.011 0.000 0.627 262 A CB -0.475 18.534 19.000 0.015 0.000 0.818 262 A HN 0.563 nan 8.150 nan 0.000 0.445 263 R N -0.735 119.751 120.500 -0.024 0.000 2.092 263 R HA 0.033 4.376 4.340 0.005 0.000 0.231 263 R C 2.030 178.286 176.300 -0.073 0.000 1.119 263 R CA 1.240 57.317 56.100 -0.038 0.000 0.970 263 R CB -0.419 29.869 30.300 -0.021 0.000 0.864 263 R HN 0.514 nan 8.270 nan 0.000 0.440 264 L N 0.086 121.213 121.223 -0.160 0.000 2.056 264 L HA -0.141 4.202 4.340 0.005 0.000 0.207 264 L C 2.529 179.395 176.870 -0.008 0.000 1.078 264 L CA 1.327 55.993 54.840 -0.289 0.000 0.749 264 L CB -0.303 41.215 42.059 -0.903 0.000 0.901 264 L HN 0.136 nan 8.230 nan 0.000 0.433 265 R N -0.109 120.439 120.500 0.080 0.000 2.081 265 R HA -0.160 4.183 4.340 0.005 0.000 0.235 265 R C 2.396 178.758 176.300 0.104 0.000 1.131 265 R CA 1.416 57.620 56.100 0.174 0.000 0.960 265 R CB -0.550 29.832 30.300 0.136 0.000 0.856 265 R HN 0.359 nan 8.270 nan 0.000 0.436 266 A N 1.329 124.178 122.820 0.049 0.000 1.902 266 A HA -0.153 4.170 4.320 0.005 0.000 0.217 266 A C 2.071 179.672 177.584 0.028 0.000 1.181 266 A CA 1.107 53.160 52.037 0.028 0.000 0.623 266 A CB -0.283 18.718 19.000 0.002 0.000 0.818 266 A HN 0.107 nan 8.150 nan 0.000 0.443 267 R N -0.207 120.307 120.500 0.025 0.000 2.091 267 R HA -0.126 4.217 4.340 0.005 0.000 0.238 267 R C 1.998 178.337 176.300 0.065 0.000 1.136 267 R CA 1.796 57.912 56.100 0.026 0.000 0.959 267 R CB -1.414 28.892 30.300 0.010 0.000 0.856 267 R HN 0.686 nan 8.270 nan 0.000 0.437 268 V N -0.706 119.279 119.914 0.117 0.000 3.649 268 V HA 0.090 4.213 4.120 0.005 0.000 0.275 268 V C 0.257 176.399 176.094 0.080 0.000 1.281 268 V CA -0.456 61.917 62.300 0.121 0.000 1.143 268 V CB -0.575 31.361 31.823 0.190 0.000 0.892 268 V HN -0.060 nan 8.190 nan 0.000 0.441 269 D N 1.536 121.974 120.400 0.064 0.000 2.487 269 D HA 0.395 5.038 4.640 0.005 0.000 0.243 269 D C 1.422 177.740 176.300 0.031 0.000 1.154 269 D CA 1.917 55.943 54.000 0.042 0.000 0.876 269 D CB 0.423 41.243 40.800 0.032 0.000 1.161 269 D HN 0.604 nan 8.370 nan 0.000 0.478 270 G N 2.347 111.161 108.800 0.023 0.000 2.175 270 G HA2 -0.243 3.719 3.960 0.005 0.000 0.244 270 G HA3 -0.243 3.719 3.960 0.005 0.000 0.244 270 G C 0.432 175.343 174.900 0.019 0.000 0.982 270 G CA 0.283 45.393 45.100 0.017 0.000 0.641 270 G HN 0.773 nan 8.290 nan 0.000 0.527 271 S N 0.024 115.739 115.700 0.025 0.000 2.565 271 S HA 0.691 5.164 4.470 0.005 0.000 0.274 271 S C 1.154 175.764 174.600 0.017 0.000 1.309 271 S CA 0.810 59.025 58.200 0.025 0.000 1.043 271 S CB 1.347 64.569 63.200 0.036 0.000 0.939 271 S HN 1.576 nan 8.310 nan 0.000 0.504 272 A N 5.021 127.852 122.820 0.017 0.000 2.470 272 A HA 0.343 4.665 4.320 0.005 0.000 0.251 272 A C 1.652 179.246 177.584 0.017 0.000 1.245 272 A CA -0.330 51.716 52.037 0.016 0.000 0.932 272 A CB 0.100 19.109 19.000 0.016 0.000 1.037 272 A HN 0.705 nan 8.150 nan 0.000 0.522 273 R N -0.162 120.347 120.500 0.016 0.000 2.265 273 R HA 0.113 4.456 4.340 0.005 0.000 0.194 273 R C 0.765 177.068 176.300 0.004 0.000 0.931 273 R CA 0.928 57.036 56.100 0.013 0.000 1.032 273 R CB -0.332 29.979 30.300 0.018 0.000 0.980 273 R HN 0.493 nan 8.270 nan 0.000 0.497 274 V N -1.240 118.673 119.914 -0.002 0.000 2.997 274 V HA 0.445 4.568 4.120 0.005 0.000 0.311 274 V C 0.498 176.581 176.094 -0.019 0.000 1.066 274 V CA -0.940 61.341 62.300 -0.031 0.000 1.039 274 V CB 1.965 33.753 31.823 -0.058 0.000 1.081 274 V HN -0.261 nan 8.190 nan 0.000 0.467 275 V N 3.811 123.703 119.914 -0.036 0.000 2.364 275 V HA 0.436 4.559 4.120 0.005 0.000 0.272 275 V C 1.051 177.148 176.094 0.004 0.000 1.036 275 V CA -0.235 62.083 62.300 0.029 0.000 0.880 275 V CB 0.614 32.443 31.823 0.010 0.000 0.991 275 V HN 0.928 nan 8.190 nan 0.000 0.460 276 R N 1.653 122.167 120.500 0.022 0.000 2.362 276 R HA 0.185 4.528 4.340 0.005 0.000 0.227 276 R C -0.178 176.052 176.300 -0.116 0.000 0.905 276 R CA -0.188 55.859 56.100 -0.089 0.000 1.067 276 R CB 0.181 30.394 30.300 -0.146 0.000 1.078 276 R HN 0.735 nan 8.270 nan 0.000 0.516 277 H N 0.027 119.071 119.070 -0.044 0.000 2.764 277 H HA 0.086 4.645 4.556 0.005 0.000 0.341 277 H C -0.136 175.169 175.328 -0.037 0.000 1.072 277 H CA -0.174 55.854 56.048 -0.034 0.000 1.444 277 H CB 0.834 30.578 29.762 -0.029 0.000 1.458 277 H HN -0.220 nan 8.280 nan 0.000 0.572 278 V N 5.653 125.609 119.914 0.069 0.000 2.427 278 V HA -0.035 4.087 4.120 0.005 0.000 0.268 278 V C 1.855 177.975 176.094 0.043 0.000 1.046 278 V CA 0.001 62.320 62.300 0.032 0.000 0.970 278 V CB -0.060 31.771 31.823 0.014 0.000 1.001 278 V HN 0.831 nan 8.190 nan 0.000 0.476 279 I N 3.090 123.674 120.570 0.025 0.000 2.454 279 I HA -0.090 4.082 4.170 0.005 0.000 0.254 279 I C 2.028 178.152 176.117 0.011 0.000 1.156 279 I CA 1.819 63.128 61.300 0.015 0.000 1.433 279 I CB -0.215 37.786 38.000 0.001 0.000 1.082 279 I HN 0.560 nan 8.210 nan 0.000 0.432 280 A N 1.068 123.894 122.820 0.011 0.000 2.209 280 A HA -0.056 4.267 4.320 0.005 0.000 0.212 280 A C 2.092 179.682 177.584 0.010 0.000 1.158 280 A CA 0.947 52.988 52.037 0.008 0.000 0.742 280 A CB -0.640 18.364 19.000 0.006 0.000 0.790 280 A HN 0.634 nan 8.150 nan 0.000 0.472 281 E N -0.338 119.872 120.200 0.017 0.000 2.285 281 E HA -0.056 4.296 4.350 0.005 0.000 0.194 281 E C 1.118 177.727 176.600 0.016 0.000 0.997 281 E CA -0.119 56.292 56.400 0.019 0.000 0.845 281 E CB 0.000 29.718 29.700 0.029 0.000 0.782 281 E HN 0.523 nan 8.360 nan 0.000 0.491 282 R N 2.006 122.514 120.500 0.013 0.000 2.347 282 R HA 0.114 4.457 4.340 0.005 0.000 0.304 282 R C -0.578 175.723 176.300 0.002 0.000 1.072 282 R CA -0.087 56.016 56.100 0.005 0.000 0.980 282 R CB 0.450 30.747 30.300 -0.004 0.000 0.986 282 R HN -0.098 nan 8.270 nan 0.000 0.448 283 R N 4.803 125.304 120.500 0.001 0.000 2.265 283 R HA 0.298 4.641 4.340 0.005 0.000 0.319 283 R C -0.419 175.879 176.300 -0.003 0.000 1.006 283 R CA -0.508 55.592 56.100 -0.000 0.000 0.880 283 R CB 1.137 31.438 30.300 0.001 0.000 1.077 283 R HN 0.467 nan 8.270 nan 0.000 0.454 284 L N 2.494 123.715 121.223 -0.004 0.000 2.379 284 L HA 0.402 4.745 4.340 0.005 0.000 0.269 284 L C 0.056 176.924 176.870 -0.004 0.000 1.084 284 L CA -0.589 54.248 54.840 -0.005 0.000 0.802 284 L CB 1.027 43.083 42.059 -0.005 0.000 1.175 284 L HN 0.698 nan 8.230 nan 0.000 0.448 285 D N 0.331 120.728 120.400 -0.005 0.000 2.566 285 D HA 0.424 5.067 4.640 0.005 0.000 0.254 285 D C 0.464 176.761 176.300 -0.005 0.000 1.090 285 D CA -0.348 53.649 54.000 -0.004 0.000 1.034 285 D CB 1.341 42.139 40.800 -0.004 0.000 1.434 285 D HN 0.431 nan 8.370 nan 0.000 0.509 286 A N 0.047 122.864 122.820 -0.004 0.000 1.958 286 A HA -0.006 4.317 4.320 0.005 0.000 0.221 286 A C 2.003 179.584 177.584 -0.005 0.000 1.178 286 A CA 2.264 54.299 52.037 -0.004 0.000 0.642 286 A CB -1.598 17.399 19.000 -0.004 0.000 0.816 286 A HN 0.715 nan 8.150 nan 0.000 0.453 287 G N -1.055 107.742 108.800 -0.006 0.000 2.534 287 G HA2 -0.102 3.860 3.960 0.005 0.000 0.217 287 G HA3 -0.102 3.860 3.960 0.005 0.000 0.217 287 G C 0.950 175.845 174.900 -0.008 0.000 1.128 287 G CA 0.974 46.070 45.100 -0.006 0.000 0.784 287 G HN 0.525 nan 8.290 nan 0.000 0.542 288 D N 0.348 120.743 120.400 -0.008 0.000 2.333 288 D HA 0.016 4.658 4.640 0.005 0.000 0.208 288 D C 0.919 177.214 176.300 -0.009 0.000 0.984 288 D CA -0.029 53.965 54.000 -0.010 0.000 0.873 288 D CB 0.420 41.214 40.800 -0.010 0.000 0.935 288 D HN 0.135 nan 8.370 nan 0.000 0.521 289 I N 1.775 122.341 120.570 -0.007 0.000 2.578 289 I HA 0.261 4.433 4.170 0.005 0.000 0.286 289 I C 1.299 177.412 176.117 -0.007 0.000 1.126 289 I CA 0.717 62.014 61.300 -0.006 0.000 1.380 289 I CB -0.168 37.829 38.000 -0.005 0.000 1.408 289 I HN -0.058 nan 8.210 nan 0.000 0.532 290 G N 5.371 114.167 108.800 -0.007 0.000 2.356 290 G HA2 0.247 4.210 3.960 0.005 0.000 0.281 290 G HA3 0.247 4.210 3.960 0.005 0.000 0.281 290 G C -1.211 173.684 174.900 -0.008 0.000 1.246 290 G CA -0.571 44.524 45.100 -0.008 0.000 0.889 290 G HN 0.318 nan 8.290 nan 0.000 0.486 291 T N 1.936 116.484 114.554 -0.009 0.000 2.749 291 T HA 0.551 4.904 4.350 0.005 0.000 0.287 291 T C -0.222 174.471 174.700 -0.012 0.000 0.970 291 T CA -0.260 61.834 62.100 -0.010 0.000 0.980 291 T CB 1.325 70.187 68.868 -0.009 0.000 0.924 291 T HN 0.424 nan 8.240 nan 0.000 0.456 292 E N 3.187 123.379 120.200 -0.013 0.000 2.283 292 E HA 0.205 4.558 4.350 0.005 0.000 0.267 292 E C -1.324 175.266 176.600 -0.016 0.000 1.045 292 E CA -1.996 54.395 56.400 -0.016 0.000 0.884 292 E CB 0.736 30.425 29.700 -0.018 0.000 1.106 292 E HN 0.326 nan 8.360 nan 0.000 0.408 293 P HA -0.126 nan 4.420 nan 0.000 0.215 293 P C -0.231 177.058 177.300 -0.018 0.000 1.157 293 P CA 1.423 64.512 63.100 -0.018 0.000 0.868 293 P CB 0.343 32.032 31.700 -0.020 0.000 0.788 294 E N -1.435 118.753 120.200 -0.020 0.000 2.299 294 E HA 0.560 4.913 4.350 0.005 0.000 0.265 294 E C -0.532 176.057 176.600 -0.018 0.000 0.911 294 E CA -0.959 55.429 56.400 -0.019 0.000 0.789 294 E CB 2.056 31.743 29.700 -0.022 0.000 1.246 294 E HN -0.071 nan 8.360 nan 0.000 0.427 295 A N 0.343 123.154 122.820 -0.014 0.000 2.313 295 A HA 0.468 4.791 4.320 0.005 0.000 0.261 295 A C 1.190 178.768 177.584 -0.011 0.000 1.090 295 A CA 0.395 52.426 52.037 -0.009 0.000 0.807 295 A CB 0.057 19.055 19.000 -0.003 0.000 1.055 295 A HN 0.657 nan 8.150 nan 0.000 0.492 296 G N -0.902 107.893 108.800 -0.008 0.000 2.848 296 G HA2 0.292 4.255 3.960 0.005 0.000 0.208 296 G HA3 0.292 4.255 3.960 0.005 0.000 0.208 296 G C 0.428 175.322 174.900 -0.009 0.000 1.152 296 G CA 0.318 45.411 45.100 -0.011 0.000 0.789 296 G HN 0.697 nan 8.290 nan 0.000 0.531 297 Q N 0.189 119.990 119.800 0.001 0.000 2.397 297 Q HA 0.305 4.647 4.340 0.005 0.000 0.275 297 Q C -1.438 174.574 176.000 0.019 0.000 1.090 297 Q CA -1.029 54.780 55.803 0.009 0.000 0.809 297 Q CB 2.090 30.850 28.738 0.036 0.000 1.362 297 Q HN 0.032 nan 8.270 nan 0.000 0.431 298 D N 0.758 121.168 120.400 0.017 0.000 2.377 298 D HA 0.343 4.985 4.640 0.005 0.000 0.245 298 D C -0.157 176.202 176.300 0.099 0.000 1.196 298 D CA -0.067 53.952 54.000 0.033 0.000 0.962 298 D CB 0.837 41.643 40.800 0.011 0.000 1.127 298 D HN 0.623 nan 8.370 nan 0.000 0.471 299 A N 0.547 123.417 122.820 0.084 0.000 2.386 299 A HA 0.005 4.328 4.320 0.005 0.000 0.246 299 A C 0.635 178.371 177.584 0.253 0.000 1.089 299 A CA -0.120 51.975 52.037 0.097 0.000 0.790 299 A CB -0.073 18.942 19.000 0.025 0.000 1.042 299 A HN 0.535 nan 8.150 nan 0.000 0.497 300 Y N 1.033 121.351 120.300 0.031 0.000 2.256 300 Y HA -0.207 4.346 4.550 0.004 0.000 0.288 300 Y C 2.894 178.829 175.900 0.059 0.000 1.155 300 Y CA 1.584 59.709 58.100 0.042 0.000 1.203 300 Y CB -1.349 37.127 38.460 0.026 0.000 0.980 300 Y HN 0.749 nan 8.280 nan 0.000 0.530 301 S N -1.052 114.777 115.700 0.215 0.000 2.500 301 S HA -0.107 4.366 4.470 0.005 0.000 0.239 301 S C 1.807 176.513 174.600 0.177 0.000 0.989 301 S CA 1.106 59.399 58.200 0.154 0.000 0.951 301 S CB -0.539 62.727 63.200 0.109 0.000 0.759 301 S HN 0.468 nan 8.310 nan 0.000 0.523 302 L N -0.279 121.069 121.223 0.210 0.000 2.588 302 L HA 0.356 4.699 4.340 0.005 0.000 0.194 302 L C 2.734 179.830 176.870 0.376 0.000 1.070 302 L CA 0.236 55.251 54.840 0.292 0.000 0.852 302 L CB -0.180 41.990 42.059 0.185 0.000 1.199 302 L HN 0.176 nan 8.230 nan 0.000 0.486 303 R N -0.097 120.542 120.500 0.231 0.000 2.120 303 R HA -0.125 4.217 4.340 0.005 0.000 0.234 303 R C 1.363 177.765 176.300 0.171 0.000 1.123 303 R CA 1.666 57.875 56.100 0.182 0.000 0.975 303 R CB -0.152 30.213 30.300 0.109 0.000 0.866 303 R HN 0.385 nan 8.270 nan 0.000 0.446 304 C N 0.290 119.649 119.300 0.099 0.000 2.778 304 C HA 0.460 4.922 4.460 0.005 0.000 0.294 304 C C 1.987 176.985 174.990 0.013 0.000 1.331 304 C CA -0.434 58.579 59.018 -0.008 0.000 1.741 304 C CB -0.285 27.354 27.740 -0.167 0.000 2.106 304 C HN 0.613 nan 8.230 nan 0.000 0.603 305 A N 2.622 125.489 122.820 0.079 0.000 1.908 305 A HA -0.083 4.240 4.320 0.005 0.000 0.218 305 A C -0.029 177.456 177.584 -0.165 0.000 1.181 305 A CA 1.758 53.772 52.037 -0.039 0.000 0.627 305 A CB -1.448 17.523 19.000 -0.048 0.000 0.818 305 A HN 0.423 nan 8.150 nan 0.000 0.445 306 P HA -0.129 nan 4.420 nan 0.000 0.217 306 P C 1.253 178.466 177.300 -0.144 0.000 1.150 306 P CA 1.358 64.348 63.100 -0.183 0.000 0.832 306 P CB -0.016 31.621 31.700 -0.105 0.000 0.787 307 Q N -0.998 118.743 119.800 -0.099 0.000 2.083 307 Q HA -0.063 4.279 4.340 0.005 0.000 0.198 307 Q C 2.114 178.029 176.000 -0.141 0.000 0.969 307 Q CA 1.171 56.917 55.803 -0.095 0.000 0.838 307 Q CB -1.282 27.412 28.738 -0.074 0.000 0.900 307 Q HN 0.086 nan 8.270 nan 0.000 0.436 308 V N 0.214 120.040 119.914 -0.146 0.000 2.283 308 V HA -0.182 3.941 4.120 0.005 0.000 0.243 308 V C 2.060 178.001 176.094 -0.255 0.000 1.039 308 V CA 1.347 63.550 62.300 -0.160 0.000 1.016 308 V CB -0.521 31.237 31.823 -0.109 0.000 0.650 308 V HN 0.299 nan 8.190 nan 0.000 0.449 309 L N 0.521 121.540 121.223 -0.340 0.000 2.046 309 L HA -0.092 4.251 4.340 0.005 0.000 0.208 309 L C 2.663 178.989 176.870 -0.908 0.000 1.077 309 L CA 1.808 56.255 54.840 -0.655 0.000 0.747 309 L CB -1.183 40.474 42.059 -0.670 0.000 0.896 309 L HN 0.480 nan 8.230 nan 0.000 0.432 310 G N -0.423 108.062 108.800 -0.525 0.000 2.440 310 G HA2 -0.264 3.699 3.960 0.005 0.000 0.218 310 G HA3 -0.264 3.699 3.960 0.005 0.000 0.218 310 G C 1.772 176.565 174.900 -0.178 0.000 1.154 310 G CA 0.839 45.767 45.100 -0.287 0.000 0.767 310 G HN 0.473 nan 8.290 nan 0.000 0.552 311 A N 0.846 123.543 122.820 -0.205 0.000 1.902 311 A HA 0.148 4.471 4.320 0.005 0.000 0.217 311 A C 2.705 180.230 177.584 -0.098 0.000 1.181 311 A CA 2.124 54.061 52.037 -0.167 0.000 0.623 311 A CB -1.039 17.856 19.000 -0.174 0.000 0.818 311 A HN 0.528 nan 8.150 nan 0.000 0.443 312 G N -1.144 107.573 108.800 -0.140 0.000 2.402 312 G HA2 -0.117 3.846 3.960 0.005 0.000 0.216 312 G HA3 -0.117 3.846 3.960 0.005 0.000 0.216 312 G C 1.298 176.303 174.900 0.175 0.000 1.162 312 G CA 1.021 46.096 45.100 -0.042 0.000 0.777 312 G HN 0.371 nan 8.290 nan 0.000 0.539 313 F N 1.790 121.743 119.950 0.006 0.000 2.171 313 F HA 0.010 4.540 4.527 0.004 0.000 0.300 313 F C 2.311 178.134 175.800 0.040 0.000 1.090 313 F CA 0.495 58.510 58.000 0.026 0.000 1.293 313 F CB -0.637 38.372 39.000 0.015 0.000 1.013 313 F HN 0.131 nan 8.300 nan 0.000 0.486 314 D N -0.698 119.829 120.400 0.211 0.000 2.183 314 D HA -0.093 4.550 4.640 0.005 0.000 0.203 314 D C 2.205 178.612 176.300 0.178 0.000 0.969 314 D CA 1.330 55.419 54.000 0.149 0.000 0.842 314 D CB -0.352 40.482 40.800 0.058 0.000 0.957 314 D HN 0.203 nan 8.370 nan 0.000 0.484 315 T N 1.159 115.811 114.554 0.163 0.000 2.812 315 T HA -0.102 4.251 4.350 0.005 0.000 0.264 315 T C 1.897 176.759 174.700 0.270 0.000 1.042 315 T CA 0.350 62.585 62.100 0.224 0.000 1.140 315 T CB -0.148 68.803 68.868 0.138 0.000 0.870 315 T HN 0.041 nan 8.240 nan 0.000 0.445 316 L N 1.476 122.817 121.223 0.198 0.000 2.093 316 L HA 0.166 4.509 4.340 0.005 0.000 0.208 316 L C 2.549 179.534 176.870 0.191 0.000 1.085 316 L CA 1.622 56.553 54.840 0.153 0.000 0.755 316 L CB -0.959 41.170 42.059 0.118 0.000 0.904 316 L HN 0.202 nan 8.230 nan 0.000 0.435 317 A N -1.064 121.870 122.820 0.190 0.000 1.902 317 A HA -0.276 4.046 4.320 0.005 0.000 0.217 317 A C 2.126 179.842 177.584 0.221 0.000 1.181 317 A CA 1.747 53.885 52.037 0.168 0.000 0.623 317 A CB -1.448 17.644 19.000 0.153 0.000 0.818 317 A HN 0.742 nan 8.150 nan 0.000 0.443 318 W N 0.366 121.722 121.300 0.093 0.000 2.379 318 W HA -0.183 4.479 4.660 0.004 0.000 0.307 318 W C 2.234 178.817 176.519 0.107 0.000 1.200 318 W CA 1.888 59.283 57.345 0.084 0.000 1.297 318 W CB -0.734 28.769 29.460 0.072 0.000 1.140 318 W HN 0.628 nan 8.180 nan 0.000 0.507 319 H N 0.148 119.137 119.070 -0.135 0.000 2.353 319 H HA -0.173 4.386 4.556 0.004 0.000 0.298 319 H C 1.331 176.532 175.328 -0.211 0.000 1.103 319 H CA 2.390 58.257 56.048 -0.303 0.000 1.293 319 H CB -0.477 29.225 29.762 -0.101 0.000 1.372 319 H HN 0.075 nan 8.280 nan 0.000 0.501 320 D N 0.274 120.690 120.400 0.027 0.000 2.149 320 D HA -0.069 4.574 4.640 0.005 0.000 0.201 320 D C 2.596 178.849 176.300 -0.078 0.000 0.972 320 D CA 0.525 54.517 54.000 -0.014 0.000 0.835 320 D CB -0.224 40.620 40.800 0.074 0.000 0.966 320 D HN 0.376 nan 8.370 nan 0.000 0.476 321 R N 0.403 120.871 120.500 -0.053 0.000 2.073 321 R HA -0.075 4.268 4.340 0.005 0.000 0.234 321 R C 2.357 178.596 176.300 -0.102 0.000 1.134 321 R CA 0.819 56.901 56.100 -0.030 0.000 0.952 321 R CB -0.536 29.794 30.300 0.050 0.000 0.850 321 R HN 0.094 nan 8.270 nan 0.000 0.433 322 V N 1.456 121.230 119.914 -0.234 0.000 2.295 322 V HA -0.238 3.885 4.120 0.005 0.000 0.246 322 V C 2.266 178.213 176.094 -0.245 0.000 1.049 322 V CA 1.564 63.706 62.300 -0.263 0.000 1.024 322 V CB -0.484 31.059 31.823 -0.467 0.000 0.648 322 V HN 0.243 nan 8.190 nan 0.000 0.447 323 L N -0.004 121.026 121.223 -0.322 0.000 2.042 323 L HA -0.165 4.178 4.340 0.005 0.000 0.210 323 L C 2.456 179.233 176.870 -0.155 0.000 1.076 323 L CA 2.449 57.125 54.840 -0.274 0.000 0.749 323 L CB -1.036 40.802 42.059 -0.367 0.000 0.893 323 L HN 0.351 nan 8.230 nan 0.000 0.432 324 T N -0.117 114.371 114.554 -0.109 0.000 2.720 324 T HA -0.182 4.171 4.350 0.005 0.000 0.268 324 T C 1.967 176.645 174.700 -0.037 0.000 1.037 324 T CA 2.040 64.111 62.100 -0.049 0.000 1.144 324 T CB -0.313 68.569 68.868 0.023 0.000 0.864 324 T HN 0.334 nan 8.240 nan 0.000 0.444 325 I N 0.601 121.140 120.570 -0.051 0.000 2.226 325 I HA -0.148 4.025 4.170 0.005 0.000 0.245 325 I C 2.711 178.774 176.117 -0.090 0.000 1.100 325 I CA 1.296 62.563 61.300 -0.055 0.000 1.374 325 I CB -0.286 37.661 38.000 -0.088 0.000 1.057 325 I HN 0.221 nan 8.210 nan 0.000 0.413 326 E N 1.251 121.376 120.200 -0.124 0.000 2.072 326 E HA -0.249 4.104 4.350 0.005 0.000 0.191 326 E C 2.029 178.575 176.600 -0.090 0.000 0.985 326 E CA 1.152 57.480 56.400 -0.120 0.000 0.801 326 E CB -0.229 29.395 29.700 -0.126 0.000 0.750 326 E HN 0.313 nan 8.360 nan 0.000 0.452 327 L N 0.918 122.087 121.223 -0.091 0.000 2.083 327 L HA -0.081 4.262 4.340 0.005 0.000 0.209 327 L C 1.164 177.985 176.870 -0.083 0.000 1.083 327 L CA 1.791 56.580 54.840 -0.085 0.000 0.752 327 L CB -0.392 41.609 42.059 -0.097 0.000 0.899 327 L HN 0.137 nan 8.230 nan 0.000 0.433 328 N N -0.045 118.608 118.700 -0.080 0.000 2.322 328 N HA 0.203 4.946 4.740 0.005 0.000 0.194 328 N C 0.309 175.800 175.510 -0.031 0.000 1.126 328 N CA 0.624 53.640 53.050 -0.057 0.000 0.845 328 N CB 0.247 38.721 38.487 -0.023 0.000 0.976 328 N HN 0.429 nan 8.380 nan 0.000 0.475 329 A N 0.215 123.007 122.820 -0.046 0.000 2.248 329 A HA 0.582 4.905 4.320 0.005 0.000 0.316 329 A C -0.003 177.557 177.584 -0.040 0.000 1.101 329 A CA -0.396 51.612 52.037 -0.047 0.000 0.875 329 A CB 1.052 20.009 19.000 -0.073 0.000 1.207 329 A HN -0.038 nan 8.150 nan 0.000 0.504 330 V N 1.407 121.297 119.914 -0.040 0.000 2.294 330 V HA 0.272 4.395 4.120 0.005 0.000 0.272 330 V C 0.856 176.926 176.094 -0.040 0.000 1.027 330 V CA 0.378 62.659 62.300 -0.032 0.000 0.823 330 V CB 0.537 32.343 31.823 -0.028 0.000 1.030 330 V HN 1.022 nan 8.190 nan 0.000 0.457 331 T N -0.711 113.828 114.554 -0.025 0.000 3.206 331 T HA 0.201 4.554 4.350 0.005 0.000 0.253 331 T C 0.156 174.875 174.700 0.032 0.000 1.042 331 T CA -0.530 61.561 62.100 -0.015 0.000 0.931 331 T CB -0.405 68.464 68.868 0.002 0.000 1.029 331 T HN 0.531 nan 8.240 nan 0.000 0.564 332 D N 2.422 122.831 120.400 0.014 0.000 2.344 332 D HA 0.506 5.148 4.640 0.005 0.000 0.244 332 D C -0.062 176.252 176.300 0.022 0.000 1.134 332 D CA 0.055 54.075 54.000 0.033 0.000 0.930 332 D CB 0.524 41.325 40.800 0.001 0.000 1.175 332 D HN 0.351 nan 8.370 nan 0.000 0.437 333 N N 0.162 118.896 118.700 0.057 0.000 2.537 333 N HA 0.271 5.014 4.740 0.005 0.000 0.281 333 N C -2.940 172.567 175.510 -0.004 0.000 1.097 333 N CA -1.295 51.761 53.050 0.010 0.000 0.964 333 N CB 1.782 40.408 38.487 0.233 0.000 1.588 333 N HN 0.026 nan 8.380 nan 0.000 0.511 334 P HA 0.324 nan 4.420 nan 0.000 0.279 334 P C -0.883 176.085 177.300 -0.554 0.000 1.282 334 P CA -0.447 62.363 63.100 -0.483 0.000 0.788 334 P CB 0.988 32.201 31.700 -0.812 0.000 1.139 335 V N -3.555 115.958 119.914 -0.668 0.000 2.914 335 V HA 0.639 4.761 4.120 0.005 0.000 0.314 335 V C -1.028 174.592 176.094 -0.790 0.000 1.084 335 V CA -0.943 60.993 62.300 -0.606 0.000 0.963 335 V CB 1.627 33.294 31.823 -0.261 0.000 1.025 335 V HN 0.227 nan 8.190 nan 0.000 0.432 336 F N 2.072 122.008 119.950 -0.023 0.000 2.366 336 F HA 0.623 5.153 4.527 0.005 0.000 0.366 336 F C -2.420 173.377 175.800 -0.006 0.000 1.096 336 F CA -2.563 55.431 58.000 -0.009 0.000 1.060 336 F CB 1.314 40.315 39.000 0.001 0.000 1.282 336 F HN 0.296 nan 8.300 nan 0.000 0.450 337 P HA 0.019 nan 4.420 nan 0.000 0.260 337 P C -1.992 175.354 177.300 0.075 0.000 1.185 337 P CA -0.668 62.468 63.100 0.059 0.000 0.763 337 P CB 0.497 32.219 31.700 0.036 0.000 0.776 338 P HA -0.195 nan 4.420 nan 0.000 0.216 338 P C 0.877 178.199 177.300 0.036 0.000 1.150 338 P CA 1.409 64.537 63.100 0.047 0.000 0.837 338 P CB -0.128 31.592 31.700 0.034 0.000 0.786 339 D N -1.514 118.904 120.400 0.030 0.000 2.310 339 D HA -0.013 4.630 4.640 0.005 0.000 0.212 339 D C 1.429 177.746 176.300 0.029 0.000 0.965 339 D CA 1.106 55.120 54.000 0.024 0.000 0.879 339 D CB -1.261 39.550 40.800 0.018 0.000 0.921 339 D HN 0.209 nan 8.370 nan 0.000 0.510 340 G N -0.107 108.717 108.800 0.040 0.000 2.143 340 G HA2 -0.360 3.603 3.960 0.005 0.000 0.248 340 G HA3 -0.360 3.603 3.960 0.005 0.000 0.248 340 G C 1.190 176.114 174.900 0.040 0.000 0.991 340 G CA 1.054 46.181 45.100 0.044 0.000 0.689 340 G HN 0.649 nan 8.290 nan 0.000 0.522 341 S N -1.495 114.226 115.700 0.035 0.000 2.370 341 S HA 0.196 4.669 4.470 0.005 0.000 0.226 341 S C 1.220 175.842 174.600 0.036 0.000 1.033 341 S CA 1.934 60.151 58.200 0.029 0.000 1.011 341 S CB -0.363 62.850 63.200 0.022 0.000 0.852 341 S HN 2.041 nan 8.310 nan 0.000 0.457 342 V N -3.553 116.389 119.914 0.046 0.000 3.078 342 V HA 0.565 4.688 4.120 0.005 0.000 0.311 342 V C -2.524 173.622 176.094 0.086 0.000 1.138 342 V CA -2.163 60.171 62.300 0.057 0.000 1.007 342 V CB 1.185 33.038 31.823 0.049 0.000 1.045 342 V HN -0.132 nan 8.190 nan 0.000 0.432 343 P HA 0.216 nan 4.420 nan 0.000 0.216 343 P C 0.291 177.736 177.300 0.242 0.000 1.150 343 P CA 2.177 65.371 63.100 0.157 0.000 0.837 343 P CB 0.170 31.957 31.700 0.145 0.000 0.786 344 A N -2.170 120.742 122.820 0.153 0.000 2.586 344 A HA 0.635 4.958 4.320 0.005 0.000 0.291 344 A C -1.993 175.576 177.584 -0.025 0.000 1.062 344 A CA -0.539 51.512 52.037 0.024 0.000 0.666 344 A CB 0.377 19.371 19.000 -0.010 0.000 1.281 344 A HN -0.057 nan 8.150 nan 0.000 0.421 345 L N 0.906 122.023 121.223 -0.177 0.000 2.381 345 L HA 0.591 4.934 4.340 0.005 0.000 0.268 345 L C -1.219 175.514 176.870 -0.228 0.000 0.997 345 L CA -0.683 54.099 54.840 -0.096 0.000 0.818 345 L CB 2.336 44.339 42.059 -0.093 0.000 1.310 345 L HN 0.866 nan 8.230 nan 0.000 0.416 346 H N 1.259 120.270 119.070 -0.099 0.000 2.539 346 H HA 0.728 5.286 4.556 0.004 0.000 0.332 346 H C 0.154 175.429 175.328 -0.089 0.000 1.031 346 H CA -0.162 55.830 56.048 -0.094 0.000 1.206 346 H CB 1.951 31.661 29.762 -0.087 0.000 1.446 346 H HN 0.740 nan 8.280 nan 0.000 0.496 347 G N 0.724 109.508 108.800 -0.026 0.000 2.896 347 G HA2 0.461 4.424 3.960 0.005 0.000 0.247 347 G HA3 0.461 4.424 3.960 0.005 0.000 0.247 347 G C -0.240 174.538 174.900 -0.203 0.000 1.187 347 G CA -0.345 44.701 45.100 -0.091 0.000 0.837 347 G HN 0.655 nan 8.290 nan 0.000 0.559 348 G N 0.023 108.569 108.800 -0.423 0.000 4.803 348 G HA2 0.281 4.244 3.960 0.005 0.000 0.266 348 G HA3 0.281 4.244 3.960 0.005 0.000 0.266 348 G C 0.195 174.468 174.900 -1.045 0.000 1.111 348 G CA -0.170 44.286 45.100 -1.074 0.000 0.874 348 G HN 0.258 nan 8.290 nan 0.000 0.555 349 N N 0.869 119.191 118.700 -0.630 0.000 2.609 349 N HA -0.032 4.711 4.740 0.005 0.000 0.190 349 N C 1.445 176.790 175.510 -0.275 0.000 1.157 349 N CA 0.277 53.115 53.050 -0.354 0.000 0.918 349 N CB -0.141 38.232 38.487 -0.190 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.322 118.606 119.950 -0.037 0.000 2.789 350 F HA 0.342 4.872 4.527 0.004 0.000 0.300 350 F C 0.793 176.587 175.800 -0.011 0.000 1.132 350 F CA -0.818 57.166 58.000 -0.027 0.000 1.404 350 F CB -0.670 38.311 39.000 -0.031 0.000 1.114 350 F HN -0.165 nan 8.300 nan 0.000 0.584 351 M N 2.716 122.267 119.600 -0.081 0.000 2.350 351 M HA 0.374 4.857 4.480 0.005 0.000 0.338 351 M C 0.933 177.270 176.300 0.062 0.000 1.559 351 M CA -0.590 54.748 55.300 0.064 0.000 1.217 351 M CB 0.220 32.783 32.600 -0.062 0.000 1.808 351 M HN 0.232 nan 8.290 nan 0.000 0.458 352 G N 3.467 112.325 108.800 0.096 0.000 3.452 352 G HA2 0.043 4.005 3.960 0.005 0.000 0.258 352 G HA3 0.043 4.005 3.960 0.005 0.000 0.258 352 G C 0.667 175.605 174.900 0.064 0.000 1.305 352 G CA -0.199 44.946 45.100 0.074 0.000 1.514 352 G HN 0.814 nan 8.290 nan 0.000 0.593 353 Q N 0.022 119.858 119.800 0.061 0.000 2.167 353 Q HA -0.099 4.243 4.340 0.005 0.000 0.202 353 Q C 1.922 177.900 176.000 -0.037 0.000 0.970 353 Q CA 1.475 57.283 55.803 0.007 0.000 0.855 353 Q CB -0.125 28.596 28.738 -0.028 0.000 0.911 353 Q HN 0.720 nan 8.270 nan 0.000 0.438 354 H N -1.743 117.309 119.070 -0.030 0.000 2.321 354 H HA -0.060 4.499 4.556 0.005 0.000 0.300 354 H C 1.773 177.030 175.328 -0.119 0.000 1.087 354 H CA 1.787 57.794 56.048 -0.068 0.000 1.319 354 H CB -0.012 29.696 29.762 -0.091 0.000 1.379 354 H HN 0.071 nan 8.280 nan 0.000 0.501 355 V N 0.469 120.395 119.914 0.020 0.000 2.667 355 V HA -0.182 3.941 4.120 0.005 0.000 0.252 355 V C 2.419 178.507 176.094 -0.009 0.000 1.065 355 V CA 1.286 63.559 62.300 -0.044 0.000 1.083 355 V CB -0.822 30.983 31.823 -0.029 0.000 0.692 355 V HN 0.557 nan 8.190 nan 0.000 0.468 356 A N 0.064 122.891 122.820 0.011 0.000 1.873 356 A HA -0.115 4.208 4.320 0.005 0.000 0.215 356 A C 2.176 179.779 177.584 0.032 0.000 1.186 356 A CA 1.599 53.653 52.037 0.027 0.000 0.616 356 A CB -0.455 18.562 19.000 0.029 0.000 0.823 356 A HN 0.479 nan 8.150 nan 0.000 0.442 357 L N -0.034 121.200 121.223 0.018 0.000 2.093 357 L HA -0.134 4.209 4.340 0.005 0.000 0.208 357 L C 2.943 179.875 176.870 0.102 0.000 1.085 357 L CA 1.737 56.619 54.840 0.070 0.000 0.755 357 L CB -0.822 41.291 42.059 0.090 0.000 0.904 357 L HN 0.660 nan 8.230 nan 0.000 0.435 358 T N -4.747 109.771 114.554 -0.060 0.000 2.904 358 T HA -0.071 4.282 4.350 0.005 0.000 0.267 358 T C 2.009 176.793 174.700 0.141 0.000 1.059 358 T CA 1.155 63.166 62.100 -0.149 0.000 1.137 358 T CB -0.185 68.380 68.868 -0.506 0.000 0.879 358 T HN 0.120 nan 8.240 nan 0.000 0.467 359 S N 1.663 117.441 115.700 0.131 0.000 2.383 359 S HA -0.080 4.393 4.470 0.005 0.000 0.227 359 S C 1.815 176.472 174.600 0.095 0.000 1.026 359 S CA 1.118 59.406 58.200 0.146 0.000 0.981 359 S CB -0.484 62.784 63.200 0.113 0.000 0.818 359 S HN 0.504 nan 8.310 nan 0.000 0.472 360 D N 1.690 122.144 120.400 0.091 0.000 2.117 360 D HA 0.031 4.674 4.640 0.005 0.000 0.198 360 D C 2.127 178.479 176.300 0.087 0.000 0.982 360 D CA 1.151 55.197 54.000 0.077 0.000 0.828 360 D CB -0.395 40.447 40.800 0.070 0.000 0.967 360 D HN 0.367 nan 8.370 nan 0.000 0.464 361 A N 0.659 123.566 122.820 0.146 0.000 1.898 361 A HA -0.128 4.195 4.320 0.005 0.000 0.216 361 A C 2.141 179.795 177.584 0.116 0.000 1.181 361 A CA 0.924 53.067 52.037 0.176 0.000 0.620 361 A CB -0.641 18.594 19.000 0.391 0.000 0.819 361 A HN 0.247 nan 8.150 nan 0.000 0.442 362 L N -0.296 120.984 121.223 0.095 0.000 2.093 362 L HA 0.013 4.356 4.340 0.005 0.000 0.208 362 L C 2.626 179.477 176.870 -0.032 0.000 1.085 362 L CA 1.971 56.810 54.840 -0.001 0.000 0.755 362 L CB -0.771 41.198 42.059 -0.149 0.000 0.904 362 L HN 0.335 nan 8.230 nan 0.000 0.435 363 A N -1.424 121.392 122.820 -0.006 0.000 1.908 363 A HA -0.225 4.098 4.320 0.005 0.000 0.218 363 A C 2.270 179.828 177.584 -0.043 0.000 1.181 363 A CA 2.400 54.428 52.037 -0.016 0.000 0.627 363 A CB -1.226 17.783 19.000 0.014 0.000 0.818 363 A HN 0.503 nan 8.150 nan 0.000 0.445 364 T N 0.166 114.704 114.554 -0.026 0.000 2.777 364 T HA 0.013 4.366 4.350 0.005 0.000 0.266 364 T C 2.212 176.857 174.700 -0.092 0.000 1.040 364 T CA 1.513 63.587 62.100 -0.044 0.000 1.141 364 T CB -0.423 68.434 68.868 -0.019 0.000 0.868 364 T HN 0.602 nan 8.240 nan 0.000 0.444 365 A N 0.894 123.660 122.820 -0.090 0.000 1.933 365 A HA -0.026 4.297 4.320 0.005 0.000 0.218 365 A C 2.554 179.970 177.584 -0.280 0.000 1.175 365 A CA 1.170 53.123 52.037 -0.140 0.000 0.628 365 A CB -0.906 18.047 19.000 -0.077 0.000 0.814 365 A HN 0.361 nan 8.150 nan 0.000 0.444 366 V N -0.342 119.391 119.914 -0.302 0.000 2.427 366 V HA -0.199 3.924 4.120 0.005 0.000 0.248 366 V C 2.716 178.482 176.094 -0.545 0.000 1.051 366 V CA 2.394 64.363 62.300 -0.551 0.000 1.048 366 V CB -1.140 30.524 31.823 -0.265 0.000 0.666 366 V HN 0.601 nan 8.190 nan 0.000 0.456 367 T N -0.076 114.306 114.554 -0.286 0.000 2.746 367 T HA -0.148 4.205 4.350 0.005 0.000 0.267 367 T C 1.958 176.524 174.700 -0.224 0.000 1.039 367 T CA 1.550 63.526 62.100 -0.207 0.000 1.142 367 T CB -0.174 68.628 68.868 -0.110 0.000 0.866 367 T HN 0.278 nan 8.240 nan 0.000 0.444 368 V N 1.223 121.005 119.914 -0.221 0.000 2.295 368 V HA -0.105 4.017 4.120 0.005 0.000 0.246 368 V C 2.411 178.366 176.094 -0.233 0.000 1.049 368 V CA 1.345 63.535 62.300 -0.183 0.000 1.024 368 V CB -0.583 31.148 31.823 -0.154 0.000 0.648 368 V HN 0.314 nan 8.190 nan 0.000 0.447 369 L N 0.342 121.331 121.223 -0.389 0.000 2.093 369 L HA -0.049 4.293 4.340 0.005 0.000 0.208 369 L C 2.552 179.210 176.870 -0.354 0.000 1.085 369 L CA 2.098 56.697 54.840 -0.401 0.000 0.755 369 L CB -1.182 40.502 42.059 -0.625 0.000 0.904 369 L HN 0.288 nan 8.230 nan 0.000 0.435 370 A N -0.614 121.858 122.820 -0.580 0.000 1.969 370 A HA -0.053 4.269 4.320 0.005 0.000 0.218 370 A C 2.408 179.968 177.584 -0.039 0.000 1.169 370 A CA 1.465 53.366 52.037 -0.227 0.000 0.635 370 A CB -1.183 17.701 19.000 -0.194 0.000 0.810 370 A HN 0.425 nan 8.150 nan 0.000 0.445 371 G N -0.220 108.528 108.800 -0.087 0.000 2.422 371 G HA2 -0.082 3.881 3.960 0.005 0.000 0.218 371 G HA3 -0.082 3.881 3.960 0.005 0.000 0.218 371 G C 1.458 176.360 174.900 0.003 0.000 1.140 371 G CA 1.111 46.193 45.100 -0.030 0.000 0.775 371 G HN 0.506 nan 8.290 nan 0.000 0.545 372 L N 1.313 122.534 121.223 -0.004 0.000 2.027 372 L HA 0.215 4.558 4.340 0.005 0.000 0.206 372 L C 2.987 179.901 176.870 0.073 0.000 1.074 372 L CA 2.199 57.059 54.840 0.032 0.000 0.745 372 L CB -0.695 41.375 42.059 0.019 0.000 0.898 372 L HN 0.194 nan 8.230 nan 0.000 0.433 373 A N -0.805 122.084 122.820 0.115 0.000 1.902 373 A HA -0.222 4.101 4.320 0.005 0.000 0.217 373 A C 2.324 179.966 177.584 0.097 0.000 1.181 373 A CA 1.691 53.814 52.037 0.143 0.000 0.623 373 A CB -0.777 18.367 19.000 0.240 0.000 0.818 373 A HN 0.583 nan 8.150 nan 0.000 0.443 374 E N -0.003 120.248 120.200 0.084 0.000 2.077 374 E HA -0.198 4.155 4.350 0.005 0.000 0.193 374 E C 2.055 178.687 176.600 0.054 0.000 0.989 374 E CA 0.910 57.349 56.400 0.064 0.000 0.800 374 E CB -0.209 29.523 29.700 0.052 0.000 0.746 374 E HN 0.376 nan 8.360 nan 0.000 0.452 375 R N 0.294 120.824 120.500 0.050 0.000 2.148 375 R HA -0.019 4.324 4.340 0.005 0.000 0.223 375 R C 2.355 178.685 176.300 0.049 0.000 1.088 375 R CA 0.745 56.872 56.100 0.045 0.000 0.985 375 R CB -0.356 29.969 30.300 0.041 0.000 0.880 375 R HN 0.400 nan 8.270 nan 0.000 0.451 376 Q N -0.011 119.824 119.800 0.058 0.000 2.167 376 Q HA -0.032 4.311 4.340 0.005 0.000 0.202 376 Q C 2.121 178.145 176.000 0.040 0.000 0.970 376 Q CA 1.053 56.890 55.803 0.058 0.000 0.855 376 Q CB -0.036 28.746 28.738 0.074 0.000 0.911 376 Q HN 0.315 nan 8.270 nan 0.000 0.438 377 I N 0.486 121.079 120.570 0.039 0.000 2.233 377 I HA -0.214 3.959 4.170 0.005 0.000 0.243 377 I C 2.420 178.563 176.117 0.044 0.000 1.093 377 I CA 0.812 62.128 61.300 0.027 0.000 1.380 377 I CB -0.384 37.635 38.000 0.032 0.000 1.067 377 I HN 0.124 nan 8.210 nan 0.000 0.413 378 A N 0.869 123.721 122.820 0.054 0.000 1.940 378 A HA -0.260 4.062 4.320 0.005 0.000 0.219 378 A C 2.431 180.035 177.584 0.034 0.000 1.176 378 A CA 1.998 54.072 52.037 0.061 0.000 0.631 378 A CB -0.640 18.392 19.000 0.055 0.000 0.814 378 A HN 0.401 nan 8.150 nan 0.000 0.446 379 R N -0.986 119.527 120.500 0.022 0.000 2.062 379 R HA -0.015 4.327 4.340 0.005 0.000 0.226 379 R C 2.050 178.343 176.300 -0.012 0.000 1.125 379 R CA 1.337 57.439 56.100 0.004 0.000 0.966 379 R CB -0.431 29.878 30.300 0.015 0.000 0.861 379 R HN 0.384 nan 8.270 nan 0.000 0.433 380 L N 1.322 122.543 121.223 -0.004 0.000 2.079 380 L HA -0.129 4.214 4.340 0.005 0.000 0.210 380 L C 2.009 178.857 176.870 -0.037 0.000 1.081 380 L CA 2.531 57.361 54.840 -0.017 0.000 0.752 380 L CB -0.601 41.447 42.059 -0.018 0.000 0.896 380 L HN 0.470 nan 8.230 nan 0.000 0.433 381 T N -4.108 110.428 114.554 -0.029 0.000 3.129 381 T HA 0.020 4.373 4.350 0.005 0.000 0.251 381 T C 0.727 175.248 174.700 -0.298 0.000 1.117 381 T CA -0.063 62.000 62.100 -0.062 0.000 1.034 381 T CB -0.503 68.449 68.868 0.141 0.000 0.968 381 T HN 0.280 nan 8.240 nan 0.000 0.526 382 D N 2.572 122.850 120.400 -0.203 0.000 2.347 382 D HA 0.076 4.719 4.640 0.005 0.000 0.235 382 D C 1.319 177.500 176.300 -0.198 0.000 1.149 382 D CA -0.340 53.512 54.000 -0.247 0.000 0.850 382 D CB 1.297 42.032 40.800 -0.109 0.000 1.061 382 D HN 0.611 nan 8.370 nan 0.000 0.487 383 E N 3.322 123.375 120.200 -0.246 0.000 2.267 383 E HA -0.210 4.143 4.350 0.005 0.000 0.197 383 E C 1.021 177.571 176.600 -0.083 0.000 0.998 383 E CA 0.837 57.154 56.400 -0.139 0.000 0.830 383 E CB 0.071 29.700 29.700 -0.120 0.000 0.751 383 E HN 0.377 nan 8.360 nan 0.000 0.491 384 R N -0.010 120.443 120.500 -0.079 0.000 2.276 384 R HA 0.181 4.524 4.340 0.005 0.000 0.196 384 R C 1.679 177.954 176.300 -0.042 0.000 0.961 384 R CA 0.510 56.581 56.100 -0.048 0.000 1.024 384 R CB 0.204 30.481 30.300 -0.038 0.000 0.940 384 R HN 0.276 nan 8.270 nan 0.000 0.480 385 L N 0.059 121.252 121.223 -0.050 0.000 2.878 385 L HA 0.119 4.462 4.340 0.005 0.000 0.253 385 L C 0.563 177.412 176.870 -0.034 0.000 1.135 385 L CA -0.108 54.709 54.840 -0.038 0.000 0.943 385 L CB 0.244 42.283 42.059 -0.033 0.000 1.307 385 L HN 0.110 nan 8.230 nan 0.000 0.545 386 N N 0.884 119.557 118.700 -0.045 0.000 2.362 386 N HA -0.033 4.709 4.740 0.005 0.000 0.204 386 N C -0.016 175.478 175.510 -0.027 0.000 1.166 386 N CA -0.335 52.694 53.050 -0.036 0.000 0.831 386 N CB -0.175 38.283 38.487 -0.047 0.000 1.008 386 N HN 0.071 nan 8.380 nan 0.000 0.472 387 R N -0.370 120.114 120.500 -0.026 0.000 3.127 387 R HA -0.164 4.179 4.340 0.005 0.000 0.247 387 R C 0.797 177.086 176.300 -0.018 0.000 0.896 387 R CA 0.472 56.559 56.100 -0.021 0.000 0.624 387 R CB -2.207 28.082 30.300 -0.018 0.000 1.154 387 R HN 0.599 nan 8.270 nan 0.000 0.474 388 G N -0.931 107.857 108.800 -0.020 0.000 2.194 388 G HA2 -0.301 3.662 3.960 0.005 0.000 0.236 388 G HA3 -0.301 3.662 3.960 0.005 0.000 0.236 388 G C 0.259 175.149 174.900 -0.016 0.000 0.987 388 G CA 0.063 45.154 45.100 -0.015 0.000 0.635 388 G HN 0.278 nan 8.290 nan 0.000 0.520 389 L N 1.391 122.601 121.223 -0.021 0.000 2.439 389 L HA 0.448 4.791 4.340 0.005 0.000 0.261 389 L C -1.651 175.207 176.870 -0.020 0.000 1.153 389 L CA -2.086 52.742 54.840 -0.020 0.000 0.808 389 L CB 0.682 42.730 42.059 -0.019 0.000 1.126 389 L HN -0.097 nan 8.230 nan 0.000 0.460 390 P HA 0.063 nan 4.420 nan 0.000 0.269 390 P C -2.487 174.851 177.300 0.064 0.000 1.209 390 P CA -0.963 62.145 63.100 0.014 0.000 0.776 390 P CB -0.139 31.468 31.700 -0.155 0.000 0.876 391 P HA -0.018 nan 4.420 nan 0.000 0.263 391 P C -0.229 177.126 177.300 0.092 0.000 1.195 391 P CA 0.394 63.446 63.100 -0.080 0.000 0.762 391 P CB -0.185 31.499 31.700 -0.026 0.000 0.799 392 F N 1.622 121.672 119.950 0.167 0.000 3.034 392 F HA -0.244 4.286 4.527 0.005 0.000 0.286 392 F C 1.292 177.270 175.800 0.296 0.000 0.804 392 F CA 0.373 58.495 58.000 0.203 0.000 1.161 392 F CB -2.606 36.501 39.000 0.178 0.000 1.317 392 F HN 0.277 nan 8.300 nan 0.000 0.453 393 L N -1.644 119.752 121.223 0.288 0.000 3.717 393 L HA -0.307 4.036 4.340 0.005 0.000 0.414 393 L C 1.255 178.286 176.870 0.269 0.000 1.228 393 L CA 1.000 55.989 54.840 0.249 0.000 0.918 393 L CB -2.000 40.224 42.059 0.276 0.000 1.865 393 L HN 0.683 nan 8.230 nan 0.000 0.922 394 H N 0.434 119.622 119.070 0.197 0.000 2.603 394 H HA 0.704 5.263 4.556 0.005 0.000 0.370 394 H C 0.244 175.623 175.328 0.085 0.000 1.225 394 H CA -0.476 55.645 56.048 0.121 0.000 1.410 394 H CB 0.930 30.755 29.762 0.106 0.000 1.495 394 H HN 0.300 nan 8.280 nan 0.000 0.602 395 R N -0.247 120.237 120.500 -0.026 0.000 2.888 395 R HA 0.488 4.831 4.340 0.005 0.000 0.266 395 R C -0.379 175.990 176.300 0.116 0.000 1.020 395 R CA -0.268 55.794 56.100 -0.063 0.000 0.963 395 R CB 2.185 32.477 30.300 -0.012 0.000 1.197 395 R HN 1.115 nan 8.270 nan 0.000 0.481 396 G N 1.456 110.308 108.800 0.086 0.000 2.728 396 G HA2 -0.174 3.789 3.960 0.005 0.000 0.294 396 G HA3 -0.174 3.789 3.960 0.005 0.000 0.294 396 G C -2.799 172.217 174.900 0.195 0.000 1.342 396 G CA -1.248 43.922 45.100 0.116 0.000 0.866 396 G HN 0.381 nan 8.290 nan 0.000 0.534 397 P HA 0.478 nan 4.420 nan 0.000 0.267 397 P C 0.393 177.739 177.300 0.077 0.000 1.205 397 P CA 0.734 63.903 63.100 0.114 0.000 0.765 397 P CB 0.848 32.580 31.700 0.053 0.000 0.828 398 A N 3.223 126.079 122.820 0.060 0.000 2.445 398 A HA 0.479 4.802 4.320 0.005 0.000 0.242 398 A C 1.550 179.042 177.584 -0.154 0.000 1.075 398 A CA 0.864 52.742 52.037 -0.265 0.000 0.777 398 A CB -0.996 17.934 19.000 -0.117 0.000 1.013 398 A HN 0.809 nan 8.150 nan 0.000 0.493 399 G N 0.394 109.079 108.800 -0.191 0.000 3.757 399 G HA2 -0.295 3.668 3.960 0.005 0.000 0.215 399 G HA3 -0.295 3.668 3.960 0.005 0.000 0.215 399 G C 1.057 175.911 174.900 -0.076 0.000 1.411 399 G CA 0.450 45.495 45.100 -0.092 0.000 0.896 399 G HN 0.888 nan 8.290 nan 0.000 0.581 400 L N 1.119 122.308 121.223 -0.057 0.000 2.275 400 L HA 0.155 4.498 4.340 0.005 0.000 0.215 400 L C 0.702 177.548 176.870 -0.040 0.000 1.119 400 L CA 0.871 55.691 54.840 -0.034 0.000 0.790 400 L CB -0.289 41.764 42.059 -0.011 0.000 0.919 400 L HN 0.301 nan 8.230 nan 0.000 0.443 401 N N -1.437 117.222 118.700 -0.068 0.000 2.258 401 N HA 0.213 4.956 4.740 0.005 0.000 0.299 401 N C -0.108 175.331 175.510 -0.118 0.000 1.047 401 N CA -0.135 52.887 53.050 -0.047 0.000 0.814 401 N CB 2.168 40.696 38.487 0.068 0.000 1.413 401 N HN -0.241 nan 8.380 nan 0.000 0.478 402 S N 0.084 115.751 115.700 -0.054 0.000 2.559 402 S HA 0.255 4.728 4.470 0.005 0.000 0.226 402 S C 1.275 175.915 174.600 0.066 0.000 1.000 402 S CA 0.079 58.258 58.200 -0.036 0.000 0.948 402 S CB 0.466 63.599 63.200 -0.113 0.000 0.870 402 S HN 0.927 nan 8.310 nan 0.000 0.497 403 G N 2.445 111.281 108.800 0.061 0.000 2.629 403 G HA2 -0.344 3.618 3.960 0.005 0.000 0.313 403 G HA3 -0.344 3.618 3.960 0.005 0.000 0.313 403 G C 0.233 175.037 174.900 -0.159 0.000 1.217 403 G CA 0.797 45.897 45.100 0.000 0.000 0.994 403 G HN 0.467 nan 8.290 nan 0.000 0.549 404 F N 1.305 121.340 119.950 0.142 0.000 2.664 404 F HA 0.484 5.013 4.527 0.004 0.000 0.301 404 F C 2.366 178.184 175.800 0.029 0.000 1.126 404 F CA 0.880 58.934 58.000 0.090 0.000 1.373 404 F CB 0.181 39.253 39.000 0.119 0.000 1.042 404 F HN 0.316 nan 8.300 nan 0.000 0.535 405 M N -0.017 119.565 119.600 -0.029 0.000 2.149 405 M HA -0.124 4.359 4.480 0.005 0.000 0.261 405 M C 2.307 178.456 176.300 -0.253 0.000 1.064 405 M CA 2.170 57.164 55.300 -0.510 0.000 1.102 405 M CB -0.357 31.695 32.600 -0.912 0.000 1.369 405 M HN 0.312 nan 8.290 nan 0.000 0.408 406 G N -0.999 107.725 108.800 -0.126 0.000 2.396 406 G HA2 -0.031 3.932 3.960 0.005 0.000 0.214 406 G HA3 -0.031 3.932 3.960 0.005 0.000 0.214 406 G C 1.470 176.370 174.900 -0.001 0.000 1.166 406 G CA 0.608 45.665 45.100 -0.071 0.000 0.793 406 G HN 0.592 nan 8.290 nan 0.000 0.533 407 A N 0.070 122.928 122.820 0.064 0.000 1.972 407 A HA -0.084 4.238 4.320 0.005 0.000 0.219 407 A C 2.254 179.903 177.584 0.108 0.000 1.169 407 A CA 1.995 54.103 52.037 0.119 0.000 0.635 407 A CB -0.390 18.768 19.000 0.263 0.000 0.810 407 A HN 0.379 nan 8.150 nan 0.000 0.446 408 Q N 0.082 119.957 119.800 0.125 0.000 2.084 408 Q HA -0.117 4.226 4.340 0.005 0.000 0.202 408 Q C 2.087 178.131 176.000 0.074 0.000 0.978 408 Q CA 2.033 57.908 55.803 0.120 0.000 0.844 408 Q CB -0.291 28.568 28.738 0.203 0.000 0.898 408 Q HN 0.420 nan 8.270 nan 0.000 0.426 409 V N 0.635 120.572 119.914 0.039 0.000 2.427 409 V HA -0.204 3.918 4.120 0.005 0.000 0.248 409 V C 2.339 178.448 176.094 0.024 0.000 1.051 409 V CA 2.025 64.338 62.300 0.022 0.000 1.048 409 V CB -0.786 31.031 31.823 -0.010 0.000 0.666 409 V HN 0.386 nan 8.190 nan 0.000 0.456 410 T N 0.357 114.926 114.554 0.025 0.000 2.788 410 T HA -0.148 4.204 4.350 0.005 0.000 0.268 410 T C 2.055 176.774 174.700 0.032 0.000 1.044 410 T CA 1.529 63.644 62.100 0.025 0.000 1.139 410 T CB -0.340 68.543 68.868 0.025 0.000 0.867 410 T HN 0.576 nan 8.240 nan 0.000 0.454 411 A N 1.270 124.115 122.820 0.041 0.000 1.902 411 A HA -0.118 4.204 4.320 0.005 0.000 0.217 411 A C 2.554 180.165 177.584 0.044 0.000 1.181 411 A CA 2.039 54.103 52.037 0.045 0.000 0.623 411 A CB -1.204 17.827 19.000 0.050 0.000 0.818 411 A HN 0.466 nan 8.150 nan 0.000 0.443 412 T N 0.375 114.954 114.554 0.041 0.000 2.746 412 T HA -0.029 4.324 4.350 0.005 0.000 0.267 412 T C 2.220 176.937 174.700 0.028 0.000 1.039 412 T CA 1.579 63.700 62.100 0.035 0.000 1.142 412 T CB -0.466 68.423 68.868 0.036 0.000 0.866 412 T HN 0.599 nan 8.240 nan 0.000 0.444 413 A N 1.293 124.128 122.820 0.025 0.000 1.902 413 A HA -0.007 4.316 4.320 0.005 0.000 0.217 413 A C 2.311 179.909 177.584 0.023 0.000 1.181 413 A CA 1.229 53.278 52.037 0.020 0.000 0.623 413 A CB -0.846 18.164 19.000 0.016 0.000 0.818 413 A HN 0.480 nan 8.150 nan 0.000 0.443 414 L N -1.206 120.034 121.223 0.029 0.000 2.046 414 L HA -0.160 4.183 4.340 0.005 0.000 0.208 414 L C 2.577 179.468 176.870 0.034 0.000 1.077 414 L CA 1.221 56.082 54.840 0.034 0.000 0.747 414 L CB -0.595 41.490 42.059 0.043 0.000 0.896 414 L HN 0.473 nan 8.230 nan 0.000 0.432 415 L N 0.383 121.627 121.223 0.034 0.000 2.017 415 L HA -0.150 4.193 4.340 0.005 0.000 0.208 415 L C 2.675 179.553 176.870 0.014 0.000 1.073 415 L CA 2.021 56.875 54.840 0.024 0.000 0.745 415 L CB -0.737 41.336 42.059 0.023 0.000 0.894 415 L HN 0.144 nan 8.230 nan 0.000 0.432 416 A N -0.781 122.048 122.820 0.016 0.000 1.917 416 A HA -0.314 4.009 4.320 0.005 0.000 0.219 416 A C 2.344 179.935 177.584 0.011 0.000 1.182 416 A CA 2.042 54.086 52.037 0.012 0.000 0.633 416 A CB -0.835 18.172 19.000 0.013 0.000 0.819 416 A HN 0.652 nan 8.150 nan 0.000 0.448 417 E N -0.777 119.432 120.200 0.015 0.000 2.110 417 E HA -0.183 4.170 4.350 0.005 0.000 0.193 417 E C 2.047 178.655 176.600 0.015 0.000 0.988 417 E CA 1.267 57.676 56.400 0.015 0.000 0.804 417 E CB -0.198 29.512 29.700 0.018 0.000 0.745 417 E HN 0.680 nan 8.360 nan 0.000 0.458 418 M N -0.026 119.584 119.600 0.016 0.000 2.108 418 M HA -0.175 4.307 4.480 0.005 0.000 0.261 418 M C 2.307 178.609 176.300 0.004 0.000 1.066 418 M CA 1.569 56.876 55.300 0.012 0.000 1.107 418 M CB -0.157 32.447 32.600 0.006 0.000 1.356 418 M HN 0.020 nan 8.290 nan 0.000 0.406 419 R N -0.005 120.495 120.500 0.001 0.000 2.189 419 R HA -0.020 4.323 4.340 0.005 0.000 0.223 419 R C 2.164 178.467 176.300 0.006 0.000 1.092 419 R CA 1.104 57.204 56.100 -0.001 0.000 0.989 419 R CB -0.429 29.869 30.300 -0.003 0.000 0.876 419 R HN 0.364 nan 8.270 nan 0.000 0.457 420 A N 0.596 123.421 122.820 0.009 0.000 2.121 420 A HA -0.028 4.295 4.320 0.005 0.000 0.218 420 A C 0.739 178.333 177.584 0.015 0.000 1.154 420 A CA 0.889 52.932 52.037 0.011 0.000 0.679 420 A CB 0.076 19.082 19.000 0.009 0.000 0.795 420 A HN 0.100 nan 8.150 nan 0.000 0.458 421 T N -0.039 114.526 114.554 0.017 0.000 2.794 421 T HA 0.558 4.911 4.350 0.005 0.000 0.280 421 T C 0.439 175.159 174.700 0.034 0.000 0.987 421 T CA 0.056 62.171 62.100 0.025 0.000 0.993 421 T CB 1.566 70.448 68.868 0.023 0.000 0.939 421 T HN 0.364 nan 8.240 nan 0.000 0.449 422 G N 2.858 111.691 108.800 0.055 0.000 2.971 422 G HA2 0.684 4.646 3.960 0.005 0.000 0.235 422 G HA3 0.684 4.646 3.960 0.005 0.000 0.235 422 G C -2.673 172.274 174.900 0.078 0.000 1.351 422 G CA -1.583 43.554 45.100 0.062 0.000 1.039 422 G HN 0.441 nan 8.290 nan 0.000 0.563 423 P HA 0.272 nan 4.420 nan 0.000 0.266 423 P C 0.320 177.686 177.300 0.110 0.000 1.195 423 P CA 0.342 63.479 63.100 0.061 0.000 0.768 423 P CB 1.366 33.078 31.700 0.020 0.000 0.838 424 A N 1.896 124.782 122.820 0.110 0.000 1.997 424 A HA -0.037 4.286 4.320 0.005 0.000 0.212 424 A C 2.063 179.719 177.584 0.120 0.000 1.178 424 A CA 0.990 53.131 52.037 0.173 0.000 0.698 424 A CB -1.011 18.058 19.000 0.115 0.000 0.842 424 A HN 0.473 nan 8.150 nan 0.000 0.458 425 S N 0.655 116.380 115.700 0.042 0.000 2.402 425 S HA -0.197 4.276 4.470 0.005 0.000 0.233 425 S C 1.711 176.275 174.600 -0.059 0.000 1.030 425 S CA 1.641 59.844 58.200 0.005 0.000 1.003 425 S CB -0.701 62.501 63.200 0.005 0.000 0.813 425 S HN 0.800 nan 8.310 nan 0.000 0.477 426 I N -1.304 119.155 120.570 -0.184 0.000 3.444 426 I HA 0.045 4.217 4.170 0.005 0.000 0.287 426 I C 0.637 176.526 176.117 -0.379 0.000 1.302 426 I CA 0.984 62.109 61.300 -0.292 0.000 1.368 426 I CB -0.362 37.418 38.000 -0.367 0.000 1.048 426 I HN 0.163 nan 8.210 nan 0.000 0.487 427 H N 1.438 120.519 119.070 0.018 0.000 2.550 427 H HA 0.320 4.879 4.556 0.005 0.000 0.304 427 H C 0.549 175.889 175.328 0.019 0.000 1.086 427 H CA -0.223 55.836 56.048 0.017 0.000 1.089 427 H CB 0.057 29.830 29.762 0.017 0.000 1.528 427 H HN 0.289 nan 8.280 nan 0.000 0.539 428 S N 1.201 116.942 115.700 0.068 0.000 2.549 428 S HA 0.258 4.730 4.470 0.005 0.000 0.283 428 S C 0.265 174.902 174.600 0.062 0.000 1.320 428 S CA -0.294 57.942 58.200 0.061 0.000 1.058 428 S CB 0.061 63.282 63.200 0.036 0.000 0.882 428 S HN 0.307 nan 8.310 nan 0.000 0.498 429 I N 3.268 123.873 120.570 0.059 0.000 2.533 429 I HA 0.223 4.395 4.170 0.005 0.000 0.290 429 I C 0.019 176.162 176.117 0.044 0.000 1.056 429 I CA -0.635 60.695 61.300 0.051 0.000 1.057 429 I CB 2.158 40.189 38.000 0.052 0.000 1.240 429 I HN 0.567 nan 8.210 nan 0.000 0.423 430 S N 3.967 119.690 115.700 0.038 0.000 2.525 430 S HA 0.288 4.761 4.470 0.005 0.000 0.285 430 S C -0.206 174.415 174.600 0.035 0.000 1.283 430 S CA 0.381 58.602 58.200 0.036 0.000 1.072 430 S CB 0.282 63.501 63.200 0.031 0.000 0.867 430 S HN 0.773 nan 8.310 nan 0.000 0.492 431 T N 3.021 117.597 114.554 0.037 0.000 2.654 431 T HA 0.415 4.768 4.350 0.005 0.000 0.289 431 T C -0.270 174.452 174.700 0.037 0.000 1.062 431 T CA -0.095 62.026 62.100 0.035 0.000 1.041 431 T CB 0.769 69.659 68.868 0.036 0.000 1.417 431 T HN 0.901 nan 8.240 nan 0.000 0.510 432 N N 0.474 119.195 118.700 0.037 0.000 2.738 432 N HA -0.226 4.516 4.740 0.005 0.000 0.249 432 N C 0.289 175.821 175.510 0.037 0.000 1.047 432 N CA 0.854 53.928 53.050 0.040 0.000 0.707 432 N CB -1.224 37.290 38.487 0.044 0.000 0.937 432 N HN 1.599 nan 8.380 nan 0.000 0.545 433 A N -1.022 121.817 122.820 0.031 0.000 2.869 433 A HA 0.025 4.348 4.320 0.005 0.000 0.280 433 A C 1.300 178.902 177.584 0.030 0.000 1.458 433 A CA 1.981 54.035 52.037 0.028 0.000 0.776 433 A CB -2.317 16.699 19.000 0.027 0.000 1.028 433 A HN 2.244 nan 8.150 nan 0.000 0.547 434 A N -2.387 120.451 122.820 0.031 0.000 3.396 434 A HA -0.358 3.965 4.320 0.005 0.000 0.267 434 A C 1.399 179.005 177.584 0.036 0.000 1.139 434 A CA 2.041 54.097 52.037 0.032 0.000 1.115 434 A CB -2.536 16.480 19.000 0.027 0.000 1.133 434 A HN 2.263 nan 8.150 nan 0.000 0.920 435 N N 0.075 118.799 118.700 0.041 0.000 2.142 435 N HA -0.091 4.652 4.740 0.005 0.000 0.186 435 N C 0.974 176.516 175.510 0.054 0.000 1.023 435 N CA 1.850 54.929 53.050 0.047 0.000 0.852 435 N CB -0.172 38.347 38.487 0.054 0.000 0.998 435 N HN 0.750 nan 8.380 nan 0.000 0.424 436 Q N 0.610 120.442 119.800 0.052 0.000 3.091 436 Q HA 0.067 4.410 4.340 0.005 0.000 0.301 436 Q C -0.410 175.622 176.000 0.054 0.000 1.337 436 Q CA -0.271 55.568 55.803 0.061 0.000 1.083 436 Q CB 0.540 29.309 28.738 0.052 0.000 1.477 436 Q HN 0.511 nan 8.270 nan 0.000 0.537 437 D N -0.328 120.102 120.400 0.050 0.000 2.348 437 D HA -0.077 4.565 4.640 0.005 0.000 0.216 437 D C 0.653 176.978 176.300 0.041 0.000 0.970 437 D CA 0.399 54.423 54.000 0.041 0.000 0.889 437 D CB 0.107 40.927 40.800 0.034 0.000 0.912 437 D HN 0.212 nan 8.370 nan 0.000 0.524 438 V N -1.654 118.289 119.914 0.049 0.000 2.733 438 V HA 0.715 4.838 4.120 0.005 0.000 0.306 438 V C -0.383 175.749 176.094 0.063 0.000 1.084 438 V CA -1.191 61.137 62.300 0.047 0.000 0.905 438 V CB 1.743 33.588 31.823 0.037 0.000 1.010 438 V HN 0.082 nan 8.190 nan 0.000 0.424 439 V N 1.385 121.334 119.914 0.059 0.000 3.001 439 V HA 0.805 4.928 4.120 0.005 0.000 0.314 439 V C 1.095 177.226 176.094 0.062 0.000 1.099 439 V CA 0.274 62.616 62.300 0.071 0.000 0.989 439 V CB 1.543 33.405 31.823 0.065 0.000 1.040 439 V HN 1.278 nan 8.190 nan 0.000 0.434 440 S N 1.924 117.665 115.700 0.068 0.000 2.439 440 S HA 0.128 4.601 4.470 0.005 0.000 0.224 440 S C 1.094 175.726 174.600 0.053 0.000 1.029 440 S CA 0.947 59.180 58.200 0.055 0.000 0.946 440 S CB -0.851 62.385 63.200 0.060 0.000 0.797 440 S HN 1.341 nan 8.310 nan 0.000 0.504 441 L N 0.577 121.836 121.223 0.059 0.000 3.843 441 L HA -0.193 4.150 4.340 0.005 0.000 0.411 441 L C 1.448 178.351 176.870 0.055 0.000 1.205 441 L CA 0.023 54.898 54.840 0.060 0.000 0.945 441 L CB -2.240 39.863 42.059 0.074 0.000 1.929 441 L HN 0.536 nan 8.230 nan 0.000 0.934 442 G N -0.634 108.197 108.800 0.051 0.000 2.422 442 G HA2 -0.154 3.809 3.960 0.005 0.000 0.218 442 G HA3 -0.154 3.809 3.960 0.005 0.000 0.218 442 G C 1.274 176.201 174.900 0.044 0.000 1.140 442 G CA 1.248 46.376 45.100 0.046 0.000 0.775 442 G HN 0.462 nan 8.290 nan 0.000 0.545 443 T N 1.318 115.897 114.554 0.041 0.000 2.821 443 T HA 0.005 4.357 4.350 0.005 0.000 0.267 443 T C 2.364 177.087 174.700 0.038 0.000 1.046 443 T CA 0.761 62.883 62.100 0.035 0.000 1.139 443 T CB -0.078 68.806 68.868 0.028 0.000 0.871 443 T HN 0.259 nan 8.240 nan 0.000 0.454 444 I N 1.555 122.150 120.570 0.041 0.000 2.252 444 I HA -0.137 4.036 4.170 0.005 0.000 0.245 444 I C 3.016 179.163 176.117 0.050 0.000 1.102 444 I CA 1.007 62.332 61.300 0.042 0.000 1.385 444 I CB -0.533 37.495 38.000 0.046 0.000 1.064 444 I HN 0.205 nan 8.210 nan 0.000 0.414 445 A N 0.893 123.747 122.820 0.056 0.000 1.883 445 A HA -0.211 4.112 4.320 0.005 0.000 0.217 445 A C 2.539 180.160 177.584 0.061 0.000 1.186 445 A CA 2.079 54.153 52.037 0.061 0.000 0.624 445 A CB -0.868 18.168 19.000 0.060 0.000 0.822 445 A HN 0.439 nan 8.150 nan 0.000 0.444 446 A N -0.520 122.337 122.820 0.062 0.000 1.898 446 A HA -0.123 4.200 4.320 0.005 0.000 0.216 446 A C 2.243 179.865 177.584 0.062 0.000 1.181 446 A CA 1.441 53.521 52.037 0.071 0.000 0.620 446 A CB -0.427 18.615 19.000 0.070 0.000 0.819 446 A HN 0.545 nan 8.150 nan 0.000 0.442 447 R N -0.539 119.992 120.500 0.051 0.000 2.092 447 R HA 0.014 4.357 4.340 0.005 0.000 0.231 447 R C 1.944 178.272 176.300 0.046 0.000 1.119 447 R CA 1.293 57.420 56.100 0.046 0.000 0.970 447 R CB -0.427 29.893 30.300 0.035 0.000 0.864 447 R HN 0.498 nan 8.270 nan 0.000 0.440 448 L N -0.357 120.893 121.223 0.046 0.000 2.141 448 L HA -0.183 4.159 4.340 0.005 0.000 0.209 448 L C 2.704 179.601 176.870 0.045 0.000 1.094 448 L CA 0.624 55.490 54.840 0.043 0.000 0.763 448 L CB -0.439 41.647 42.059 0.045 0.000 0.908 448 L HN 0.367 nan 8.230 nan 0.000 0.437 449 C N 0.285 119.614 119.300 0.049 0.000 2.457 449 C HA -0.121 4.341 4.460 0.005 0.000 0.278 449 C C 3.079 178.104 174.990 0.059 0.000 1.309 449 C CA 0.676 59.721 59.018 0.045 0.000 1.735 449 C CB -0.495 27.270 27.740 0.041 0.000 1.992 449 C HN 0.490 nan 8.230 nan 0.000 0.493 450 R N 1.334 121.873 120.500 0.065 0.000 2.081 450 R HA -0.071 4.272 4.340 0.005 0.000 0.235 450 R C 2.102 178.448 176.300 0.077 0.000 1.131 450 R CA 1.981 58.127 56.100 0.076 0.000 0.960 450 R CB -0.822 29.522 30.300 0.072 0.000 0.856 450 R HN 0.519 nan 8.270 nan 0.000 0.436 451 E N 0.798 121.035 120.200 0.063 0.000 2.085 451 E HA -0.183 4.169 4.350 0.005 0.000 0.194 451 E C 1.860 178.502 176.600 0.071 0.000 0.994 451 E CA 1.429 57.865 56.400 0.059 0.000 0.801 451 E CB -0.130 29.597 29.700 0.045 0.000 0.743 451 E HN 0.431 nan 8.360 nan 0.000 0.453 452 K N 0.314 120.755 120.400 0.069 0.000 2.097 452 K HA -0.032 4.291 4.320 0.005 0.000 0.205 452 K C 2.325 179.011 176.600 0.144 0.000 1.050 452 K CA 0.797 57.129 56.287 0.076 0.000 0.938 452 K CB -0.146 32.375 32.500 0.036 0.000 0.718 452 K HN 0.093 nan 8.250 nan 0.000 0.442 453 I N 1.545 122.213 120.570 0.163 0.000 2.226 453 I HA -0.293 3.880 4.170 0.005 0.000 0.245 453 I C 1.582 177.824 176.117 0.208 0.000 1.100 453 I CA 1.204 62.658 61.300 0.257 0.000 1.374 453 I CB -0.255 37.863 38.000 0.196 0.000 1.057 453 I HN 0.161 nan 8.210 nan 0.000 0.413 454 D N 0.491 120.970 120.400 0.131 0.000 2.144 454 D HA -0.121 4.522 4.640 0.005 0.000 0.200 454 D C 2.323 178.679 176.300 0.093 0.000 0.978 454 D CA 0.873 54.926 54.000 0.089 0.000 0.833 454 D CB -0.197 40.644 40.800 0.067 0.000 0.961 454 D HN 0.202 nan 8.370 nan 0.000 0.470 455 R N -0.106 120.464 120.500 0.117 0.000 2.092 455 R HA -0.104 4.238 4.340 0.005 0.000 0.231 455 R C 2.113 178.522 176.300 0.182 0.000 1.119 455 R CA 0.398 56.566 56.100 0.113 0.000 0.970 455 R CB -0.941 29.415 30.300 0.093 0.000 0.864 455 R HN 0.337 nan 8.270 nan 0.000 0.440 456 W N 1.938 123.238 121.300 0.000 0.000 2.363 456 W HA -0.080 4.583 4.660 0.005 0.000 0.296 456 W C 2.070 178.580 176.519 -0.015 0.000 1.212 456 W CA 1.327 58.673 57.345 0.001 0.000 1.260 456 W CB -0.571 28.897 29.460 0.013 0.000 1.131 456 W HN 0.126 nan 8.180 nan 0.000 0.530 457 A N 0.131 122.958 122.820 0.012 0.000 1.933 457 A HA -0.214 4.109 4.320 0.005 0.000 0.218 457 A C 1.865 179.367 177.584 -0.137 0.000 1.175 457 A CA 1.934 53.863 52.037 -0.179 0.000 0.628 457 A CB -0.736 18.184 19.000 -0.133 0.000 0.814 457 A HN 0.440 nan 8.150 nan 0.000 0.444 458 E N -0.329 119.846 120.200 -0.041 0.000 2.072 458 E HA -0.090 4.263 4.350 0.005 0.000 0.191 458 E C 1.837 178.420 176.600 -0.028 0.000 0.985 458 E CA 1.085 57.461 56.400 -0.041 0.000 0.801 458 E CB -0.242 29.457 29.700 -0.001 0.000 0.750 458 E HN 0.689 nan 8.360 nan 0.000 0.452 459 I N 0.847 121.437 120.570 0.034 0.000 2.226 459 I HA -0.277 3.896 4.170 0.005 0.000 0.245 459 I C 2.215 178.341 176.117 0.016 0.000 1.100 459 I CA 1.002 62.338 61.300 0.060 0.000 1.374 459 I CB -0.152 37.940 38.000 0.152 0.000 1.057 459 I HN 0.119 nan 8.210 nan 0.000 0.413 460 L N 0.385 121.589 121.223 -0.031 0.000 2.131 460 L HA -0.191 4.152 4.340 0.005 0.000 0.210 460 L C 2.810 179.570 176.870 -0.183 0.000 1.092 460 L CA 1.162 55.938 54.840 -0.107 0.000 0.759 460 L CB -0.646 41.259 42.059 -0.257 0.000 0.903 460 L HN 0.244 nan 8.230 nan 0.000 0.435 461 A N 0.350 123.037 122.820 -0.223 0.000 1.902 461 A HA -0.180 4.143 4.320 0.005 0.000 0.217 461 A C 2.202 179.665 177.584 -0.203 0.000 1.181 461 A CA 1.499 53.372 52.037 -0.273 0.000 0.623 461 A CB -0.611 18.239 19.000 -0.249 0.000 0.818 461 A HN 0.349 nan 8.150 nan 0.000 0.443 462 I N -0.843 119.654 120.570 -0.120 0.000 2.226 462 I HA -0.222 3.951 4.170 0.005 0.000 0.245 462 I C 2.424 178.463 176.117 -0.130 0.000 1.100 462 I CA 1.148 62.398 61.300 -0.083 0.000 1.374 462 I CB -0.264 37.725 38.000 -0.018 0.000 1.057 462 I HN 0.391 nan 8.210 nan 0.000 0.413 463 L N 1.232 122.397 121.223 -0.096 0.000 2.046 463 L HA -0.139 4.204 4.340 0.005 0.000 0.208 463 L C 2.556 179.363 176.870 -0.105 0.000 1.077 463 L CA 2.131 56.921 54.840 -0.084 0.000 0.747 463 L CB -0.811 41.240 42.059 -0.012 0.000 0.896 463 L HN 0.180 nan 8.230 nan 0.000 0.432 464 A N -0.538 122.219 122.820 -0.106 0.000 1.902 464 A HA -0.167 4.156 4.320 0.005 0.000 0.217 464 A C 2.270 179.785 177.584 -0.116 0.000 1.181 464 A CA 2.009 54.000 52.037 -0.077 0.000 0.623 464 A CB -0.891 18.026 19.000 -0.139 0.000 0.818 464 A HN 0.505 nan 8.150 nan 0.000 0.443 465 L N -0.968 120.144 121.223 -0.184 0.000 2.056 465 L HA -0.232 4.111 4.340 0.005 0.000 0.207 465 L C 2.741 179.418 176.870 -0.323 0.000 1.078 465 L CA 1.209 55.956 54.840 -0.156 0.000 0.749 465 L CB -0.682 41.338 42.059 -0.065 0.000 0.901 465 L HN 0.487 nan 8.230 nan 0.000 0.433 466 C N -0.148 118.811 119.300 -0.569 0.000 2.429 466 C HA -0.150 4.313 4.460 0.005 0.000 0.277 466 C C 2.747 177.537 174.990 -0.334 0.000 1.262 466 C CA 0.547 59.091 59.018 -0.791 0.000 1.733 466 C CB -0.765 26.629 27.740 -0.577 0.000 2.010 466 C HN 0.427 nan 8.230 nan 0.000 0.483 467 L N 0.873 121.992 121.223 -0.173 0.000 2.141 467 L HA -0.126 4.217 4.340 0.005 0.000 0.209 467 L C 2.841 179.700 176.870 -0.018 0.000 1.094 467 L CA 1.389 56.192 54.840 -0.061 0.000 0.763 467 L CB -0.682 41.373 42.059 -0.005 0.000 0.908 467 L HN 0.341 nan 8.230 nan 0.000 0.437 468 A N -0.230 122.584 122.820 -0.010 0.000 1.877 468 A HA -0.301 4.022 4.320 0.005 0.000 0.216 468 A C 2.224 179.840 177.584 0.053 0.000 1.186 468 A CA 2.026 54.088 52.037 0.043 0.000 0.620 468 A CB -0.542 18.501 19.000 0.071 0.000 0.822 468 A HN 0.424 nan 8.150 nan 0.000 0.443 469 Q N -0.420 119.412 119.800 0.055 0.000 2.046 469 Q HA -0.015 4.328 4.340 0.005 0.000 0.200 469 Q C 2.084 178.120 176.000 0.060 0.000 0.975 469 Q CA 2.059 57.927 55.803 0.109 0.000 0.836 469 Q CB -0.502 28.390 28.738 0.257 0.000 0.896 469 Q HN 0.552 nan 8.270 nan 0.000 0.428 470 A N 0.489 123.317 122.820 0.013 0.000 1.908 470 A HA -0.128 4.194 4.320 0.005 0.000 0.218 470 A C 2.313 179.907 177.584 0.017 0.000 1.181 470 A CA 1.865 53.907 52.037 0.008 0.000 0.627 470 A CB -1.257 17.733 19.000 -0.017 0.000 0.818 470 A HN 0.562 nan 8.150 nan 0.000 0.445 471 A N -0.183 122.651 122.820 0.023 0.000 1.902 471 A HA -0.192 4.131 4.320 0.005 0.000 0.217 471 A C 1.923 179.525 177.584 0.030 0.000 1.181 471 A CA 1.725 53.779 52.037 0.029 0.000 0.623 471 A CB -0.502 18.520 19.000 0.037 0.000 0.818 471 A HN 0.665 nan 8.150 nan 0.000 0.443 472 E N -0.305 119.916 120.200 0.036 0.000 2.107 472 E HA -0.045 4.307 4.350 0.005 0.000 0.191 472 E C 1.917 178.532 176.600 0.025 0.000 0.982 472 E CA 0.814 57.235 56.400 0.035 0.000 0.809 472 E CB -0.231 29.497 29.700 0.045 0.000 0.756 472 E HN 0.606 nan 8.360 nan 0.000 0.459 473 L N 0.519 121.756 121.223 0.023 0.000 2.093 473 L HA -0.146 4.197 4.340 0.005 0.000 0.208 473 L C 2.636 179.509 176.870 0.005 0.000 1.085 473 L CA 0.924 55.770 54.840 0.009 0.000 0.755 473 L CB -0.149 41.913 42.059 0.004 0.000 0.904 473 L HN 0.019 nan 8.230 nan 0.000 0.435 474 R N -0.276 120.229 120.500 0.009 0.000 2.080 474 R HA -0.040 4.303 4.340 0.005 0.000 0.222 474 R C 1.788 178.093 176.300 0.009 0.000 1.107 474 R CA 1.588 57.692 56.100 0.007 0.000 0.980 474 R CB -0.354 29.951 30.300 0.008 0.000 0.879 474 R HN 0.346 nan 8.270 nan 0.000 0.439 475 C N 0.164 119.472 119.300 0.014 0.000 3.183 475 C HA 0.656 5.118 4.460 0.005 0.000 0.285 475 C C 0.601 175.600 174.990 0.015 0.000 1.313 475 C CA -0.345 58.681 59.018 0.015 0.000 1.711 475 C CB -0.731 27.020 27.740 0.019 0.000 2.135 475 C HN 0.732 nan 8.230 nan 0.000 0.651 476 G N 1.729 110.538 108.800 0.015 0.000 2.758 476 G HA2 -0.139 3.824 3.960 0.005 0.000 0.686 476 G HA3 -0.139 3.824 3.960 0.005 0.000 0.686 476 G C 0.714 175.626 174.900 0.021 0.000 1.389 476 G CA 0.087 45.196 45.100 0.016 0.000 0.845 476 G HN 0.792 nan 8.290 nan 0.000 0.572 477 S N -0.513 115.200 115.700 0.021 0.000 2.420 477 S HA -0.000 4.473 4.470 0.005 0.000 0.237 477 S C 2.409 177.024 174.600 0.025 0.000 1.023 477 S CA 1.999 60.214 58.200 0.025 0.000 0.991 477 S CB -0.281 62.933 63.200 0.023 0.000 0.792 477 S HN 2.213 nan 8.310 nan 0.000 0.488 478 G N 0.815 109.628 108.800 0.021 0.000 2.848 478 G HA2 0.346 4.309 3.960 0.005 0.000 0.208 478 G HA3 0.346 4.309 3.960 0.005 0.000 0.208 478 G C 0.550 175.463 174.900 0.022 0.000 1.152 478 G CA -0.039 45.073 45.100 0.020 0.000 0.789 478 G HN 0.624 nan 8.290 nan 0.000 0.531 479 L N 0.908 122.146 121.223 0.024 0.000 3.660 479 L HA -0.148 4.195 4.340 0.005 0.000 0.440 479 L C -0.838 176.045 176.870 0.022 0.000 1.262 479 L CA -0.080 54.775 54.840 0.025 0.000 0.837 479 L CB -1.706 40.371 42.059 0.030 0.000 1.689 479 L HN 0.225 nan 8.230 nan 0.000 0.890 480 D N 1.318 121.729 120.400 0.018 0.000 2.450 480 D HA 0.287 4.929 4.640 0.005 0.000 0.247 480 D C 1.364 177.674 176.300 0.017 0.000 1.162 480 D CA 1.346 55.356 54.000 0.016 0.000 0.879 480 D CB 1.345 42.153 40.800 0.014 0.000 1.163 480 D HN 0.534 nan 8.370 nan 0.000 0.472 481 G N 1.469 110.280 108.800 0.017 0.000 2.241 481 G HA2 -0.290 3.673 3.960 0.005 0.000 0.244 481 G HA3 -0.290 3.673 3.960 0.005 0.000 0.244 481 G C 0.487 175.399 174.900 0.021 0.000 0.998 481 G CA 0.077 45.187 45.100 0.017 0.000 0.621 481 G HN 0.525 nan 8.290 nan 0.000 0.519 482 V N 2.875 122.803 119.914 0.023 0.000 2.740 482 V HA 0.452 4.575 4.120 0.005 0.000 0.303 482 V C 1.524 177.634 176.094 0.028 0.000 1.054 482 V CA 0.252 62.569 62.300 0.029 0.000 1.106 482 V CB 1.276 33.118 31.823 0.031 0.000 0.957 482 V HN 1.118 nan 8.190 nan 0.000 0.486 483 S N 5.015 120.734 115.700 0.033 0.000 2.576 483 S HA 0.126 4.599 4.470 0.005 0.000 0.272 483 S C -1.702 172.914 174.600 0.025 0.000 1.352 483 S CA -0.638 57.580 58.200 0.030 0.000 1.021 483 S CB 0.455 63.678 63.200 0.039 0.000 0.887 483 S HN 0.576 nan 8.310 nan 0.000 0.542 484 P HA -0.047 nan 4.420 nan 0.000 0.215 484 P C 1.648 178.955 177.300 0.013 0.000 1.153 484 P CA 1.957 65.066 63.100 0.015 0.000 0.853 484 P CB -0.253 31.454 31.700 0.011 0.000 0.788 485 A N -0.313 122.512 122.820 0.010 0.000 1.902 485 A HA -0.067 4.256 4.320 0.005 0.000 0.217 485 A C 2.474 180.062 177.584 0.007 0.000 1.181 485 A CA 2.044 54.080 52.037 -0.002 0.000 0.623 485 A CB -1.862 17.133 19.000 -0.009 0.000 0.818 485 A HN 0.269 nan 8.150 nan 0.000 0.443 486 G N -0.318 108.496 108.800 0.023 0.000 2.421 486 G HA2 -0.227 3.736 3.960 0.005 0.000 0.216 486 G HA3 -0.227 3.736 3.960 0.005 0.000 0.216 486 G C 1.681 176.605 174.900 0.039 0.000 1.171 486 G CA 1.100 46.221 45.100 0.036 0.000 0.775 486 G HN 0.561 nan 8.290 nan 0.000 0.543 487 K N 0.167 120.587 120.400 0.033 0.000 2.057 487 K HA -0.068 4.254 4.320 0.005 0.000 0.207 487 K C 2.441 179.063 176.600 0.037 0.000 1.049 487 K CA 1.327 57.635 56.287 0.035 0.000 0.931 487 K CB -0.121 32.396 32.500 0.028 0.000 0.714 487 K HN 0.261 nan 8.250 nan 0.000 0.440 488 K N 1.290 121.707 120.400 0.029 0.000 2.097 488 K HA -0.103 4.220 4.320 0.005 0.000 0.205 488 K C 2.123 178.751 176.600 0.047 0.000 1.050 488 K CA 0.804 57.109 56.287 0.030 0.000 0.938 488 K CB -0.018 32.490 32.500 0.014 0.000 0.718 488 K HN 0.107 nan 8.250 nan 0.000 0.442 489 L N 0.589 121.839 121.223 0.046 0.000 2.027 489 L HA -0.151 4.192 4.340 0.005 0.000 0.206 489 L C 2.010 178.957 176.870 0.127 0.000 1.074 489 L CA 1.026 55.916 54.840 0.083 0.000 0.745 489 L CB -0.113 41.983 42.059 0.061 0.000 0.898 489 L HN 0.003 nan 8.230 nan 0.000 0.433 490 V N 0.011 119.985 119.914 0.099 0.000 2.358 490 V HA -0.296 3.827 4.120 0.005 0.000 0.246 490 V C 2.470 178.622 176.094 0.098 0.000 1.047 490 V CA 1.954 64.314 62.300 0.101 0.000 1.035 490 V CB -0.658 31.211 31.823 0.077 0.000 0.658 490 V HN 0.547 nan 8.190 nan 0.000 0.452 491 Q N 0.014 119.860 119.800 0.077 0.000 2.084 491 Q HA -0.181 4.162 4.340 0.005 0.000 0.202 491 Q C 2.440 178.483 176.000 0.072 0.000 0.978 491 Q CA 1.811 57.652 55.803 0.064 0.000 0.844 491 Q CB -0.445 28.321 28.738 0.047 0.000 0.898 491 Q HN 0.673 nan 8.270 nan 0.000 0.426 492 A N 0.966 123.840 122.820 0.089 0.000 1.902 492 A HA -0.155 4.167 4.320 0.005 0.000 0.217 492 A C 2.093 179.751 177.584 0.123 0.000 1.181 492 A CA 1.075 53.170 52.037 0.097 0.000 0.623 492 A CB -0.689 18.387 19.000 0.127 0.000 0.818 492 A HN 0.278 nan 8.150 nan 0.000 0.443 493 L N -1.028 120.303 121.223 0.181 0.000 2.017 493 L HA -0.169 4.174 4.340 0.005 0.000 0.208 493 L C 2.691 179.708 176.870 0.245 0.000 1.073 493 L CA 1.069 56.068 54.840 0.264 0.000 0.745 493 L CB -0.435 41.763 42.059 0.232 0.000 0.894 493 L HN 0.275 nan 8.230 nan 0.000 0.432 494 R N 0.278 120.870 120.500 0.153 0.000 2.293 494 R HA -0.139 4.204 4.340 0.005 0.000 0.219 494 R C 1.862 178.186 176.300 0.040 0.000 1.091 494 R CA 0.763 56.928 56.100 0.108 0.000 1.004 494 R CB -0.367 29.983 30.300 0.083 0.000 0.865 494 R HN 0.542 nan 8.270 nan 0.000 0.469 495 E N -0.034 120.175 120.200 0.015 0.000 2.204 495 E HA -0.140 4.213 4.350 0.005 0.000 0.194 495 E C 1.474 177.998 176.600 -0.127 0.000 0.989 495 E CA 0.802 57.178 56.400 -0.040 0.000 0.824 495 E CB 0.281 29.960 29.700 -0.034 0.000 0.756 495 E HN 0.218 nan 8.360 nan 0.000 0.477 496 Q N -1.234 118.429 119.800 -0.227 0.000 2.322 496 Q HA 0.135 4.478 4.340 0.005 0.000 0.250 496 Q C -0.380 175.170 176.000 -0.750 0.000 0.853 496 Q CA 0.316 55.793 55.803 -0.544 0.000 0.951 496 Q CB 0.870 29.115 28.738 -0.822 0.000 1.114 496 Q HN 0.108 nan 8.270 nan 0.000 0.523 497 F N 2.065 122.010 119.950 -0.009 0.000 2.382 497 F HA 0.438 4.968 4.527 0.005 0.000 0.361 497 F C -2.129 173.686 175.800 0.025 0.000 1.109 497 F CA -2.650 55.355 58.000 0.009 0.000 1.031 497 F CB 1.336 40.346 39.000 0.017 0.000 1.234 497 F HN -0.195 nan 8.300 nan 0.000 0.445 498 P HA 0.213 nan 4.420 nan 0.000 0.272 498 P C -2.502 174.872 177.300 0.123 0.000 1.230 498 P CA -1.098 62.061 63.100 0.098 0.000 0.788 498 P CB 0.161 31.894 31.700 0.054 0.000 0.949 499 P HA 0.089 nan 4.420 nan 0.000 0.270 499 P C -0.717 176.631 177.300 0.079 0.000 1.223 499 P CA -0.113 63.049 63.100 0.104 0.000 0.785 499 P CB 0.275 32.020 31.700 0.076 0.000 0.923 500 L N 2.367 123.638 121.223 0.079 0.000 2.358 500 L HA 0.149 4.492 4.340 0.005 0.000 0.274 500 L C 0.967 177.838 176.870 0.002 0.000 1.136 500 L CA 0.585 55.419 54.840 -0.010 0.000 0.970 500 L CB -0.759 41.206 42.059 -0.157 0.000 1.314 500 L HN 0.328 nan 8.230 nan 0.000 0.427 501 E N 1.023 121.227 120.200 0.008 0.000 2.230 501 E HA 0.019 4.371 4.350 0.005 0.000 0.192 501 E C 0.232 176.839 176.600 0.011 0.000 0.987 501 E CA 0.554 56.962 56.400 0.013 0.000 0.841 501 E CB 0.370 30.079 29.700 0.015 0.000 0.783 501 E HN 0.581 nan 8.360 nan 0.000 0.481 502 T N 0.114 114.666 114.554 -0.004 0.000 2.889 502 T HA 0.119 4.471 4.350 0.005 0.000 0.315 502 T C -1.797 172.881 174.700 -0.036 0.000 1.291 502 T CA -1.001 61.097 62.100 -0.003 0.000 1.028 502 T CB 1.366 70.234 68.868 0.000 0.000 1.235 502 T HN -0.224 nan 8.240 nan 0.000 0.491 503 D N 2.786 123.161 120.400 -0.041 0.000 2.488 503 D HA 0.340 4.982 4.640 0.005 0.000 0.238 503 D C 0.565 176.824 176.300 -0.068 0.000 1.138 503 D CA 0.604 54.558 54.000 -0.077 0.000 0.873 503 D CB 0.395 41.156 40.800 -0.065 0.000 1.183 503 D HN 0.663 nan 8.370 nan 0.000 0.458 504 R N 0.449 120.896 120.500 -0.088 0.000 2.710 504 R HA 0.620 4.962 4.340 0.005 0.000 0.270 504 R C -3.117 173.147 176.300 -0.060 0.000 1.021 504 R CA -1.762 54.303 56.100 -0.058 0.000 0.889 504 R CB 0.307 30.583 30.300 -0.041 0.000 1.243 504 R HN -0.005 nan 8.270 nan 0.000 0.464 505 P HA 0.091 nan 4.420 nan 0.000 0.263 505 P C -0.287 177.005 177.300 -0.013 0.000 1.195 505 P CA -0.091 62.994 63.100 -0.024 0.000 0.762 505 P CB 0.556 32.249 31.700 -0.012 0.000 0.799 506 L N 1.864 123.080 121.223 -0.011 0.000 2.638 506 L HA 0.161 4.504 4.340 0.005 0.000 0.232 506 L C 2.370 179.255 176.870 0.026 0.000 1.099 506 L CA 0.468 55.316 54.840 0.013 0.000 0.883 506 L CB -0.414 41.655 42.059 0.016 0.000 1.136 506 L HN 0.524 nan 8.230 nan 0.000 0.492 507 G N 0.280 109.090 108.800 0.016 0.000 2.574 507 G HA2 -0.322 3.641 3.960 0.005 0.000 0.220 507 G HA3 -0.322 3.641 3.960 0.005 0.000 0.220 507 G C 1.418 176.332 174.900 0.024 0.000 1.173 507 G CA 0.851 45.961 45.100 0.016 0.000 0.772 507 G HN 0.391 nan 8.290 nan 0.000 0.585 508 Q N -0.165 119.655 119.800 0.033 0.000 2.119 508 Q HA -0.068 4.275 4.340 0.005 0.000 0.201 508 Q C 2.531 178.580 176.000 0.081 0.000 0.972 508 Q CA 1.258 57.089 55.803 0.047 0.000 0.847 508 Q CB -0.113 28.651 28.738 0.043 0.000 0.903 508 Q HN 0.633 nan 8.270 nan 0.000 0.433 509 E N 0.656 120.919 120.200 0.106 0.000 2.072 509 E HA -0.145 4.208 4.350 0.005 0.000 0.191 509 E C 1.990 178.596 176.600 0.009 0.000 0.985 509 E CA 0.743 57.256 56.400 0.188 0.000 0.801 509 E CB -0.028 29.804 29.700 0.221 0.000 0.750 509 E HN 0.330 nan 8.360 nan 0.000 0.452 510 I N 1.084 121.636 120.570 -0.028 0.000 2.163 510 I HA -0.292 3.880 4.170 0.005 0.000 0.243 510 I C 2.528 178.608 176.117 -0.062 0.000 1.085 510 I CA 1.080 62.333 61.300 -0.079 0.000 1.347 510 I CB -0.323 37.658 38.000 -0.032 0.000 1.044 510 I HN 0.100 nan 8.210 nan 0.000 0.408 511 A N 0.575 123.389 122.820 -0.010 0.000 1.930 511 A HA -0.087 4.236 4.320 0.005 0.000 0.217 511 A C 2.517 180.113 177.584 0.020 0.000 1.175 511 A CA 1.676 53.715 52.037 0.002 0.000 0.627 511 A CB -0.687 18.323 19.000 0.017 0.000 0.815 511 A HN 0.436 nan 8.150 nan 0.000 0.443 512 A N -0.569 122.290 122.820 0.066 0.000 1.898 512 A HA 0.037 4.359 4.320 0.005 0.000 0.216 512 A C 2.092 179.760 177.584 0.141 0.000 1.181 512 A CA 1.625 53.738 52.037 0.127 0.000 0.620 512 A CB -0.545 18.586 19.000 0.218 0.000 0.819 512 A HN 0.614 nan 8.150 nan 0.000 0.442 513 L N -0.155 121.096 121.223 0.046 0.000 2.056 513 L HA 0.008 4.351 4.340 0.005 0.000 0.207 513 L C 2.639 179.429 176.870 -0.132 0.000 1.078 513 L CA 2.041 56.820 54.840 -0.102 0.000 0.749 513 L CB -0.919 40.811 42.059 -0.548 0.000 0.901 513 L HN 0.338 nan 8.230 nan 0.000 0.433 514 A N -1.505 121.231 122.820 -0.141 0.000 1.908 514 A HA -0.235 4.088 4.320 0.005 0.000 0.218 514 A C 2.266 179.788 177.584 -0.103 0.000 1.181 514 A CA 2.379 54.324 52.037 -0.154 0.000 0.627 514 A CB -1.240 17.701 19.000 -0.100 0.000 0.818 514 A HN 0.508 nan 8.150 nan 0.000 0.445 515 T N -1.435 113.104 114.554 -0.026 0.000 2.788 515 T HA -0.167 4.186 4.350 0.005 0.000 0.268 515 T C 1.863 176.570 174.700 0.013 0.000 1.044 515 T CA 1.902 64.007 62.100 0.008 0.000 1.139 515 T CB -0.395 68.499 68.868 0.042 0.000 0.867 515 T HN 0.809 nan 8.240 nan 0.000 0.454 516 H N 1.188 120.219 119.070 -0.064 0.000 2.326 516 H HA 0.101 4.660 4.556 0.005 0.000 0.301 516 H C 2.008 177.266 175.328 -0.115 0.000 1.081 516 H CA 1.237 57.252 56.048 -0.054 0.000 1.334 516 H CB -0.539 29.216 29.762 -0.012 0.000 1.385 516 H HN 0.245 nan 8.280 nan 0.000 0.504 517 L N -0.072 120.935 121.223 -0.360 0.000 2.079 517 L HA -0.182 4.161 4.340 0.005 0.000 0.210 517 L C 2.359 179.062 176.870 -0.278 0.000 1.081 517 L CA 1.092 55.581 54.840 -0.585 0.000 0.752 517 L CB -0.529 41.020 42.059 -0.849 0.000 0.896 517 L HN 0.326 nan 8.230 nan 0.000 0.433 518 L N -0.802 120.304 121.223 -0.196 0.000 2.362 518 L HA -0.165 4.178 4.340 0.005 0.000 0.219 518 L C 2.201 179.033 176.870 -0.063 0.000 1.134 518 L CA 1.001 55.795 54.840 -0.077 0.000 0.807 518 L CB -0.214 41.833 42.059 -0.020 0.000 0.927 518 L HN 0.382 nan 8.230 nan 0.000 0.447 519 Q N -1.551 118.124 119.800 -0.210 0.000 2.280 519 Q HA 0.202 4.544 4.340 0.005 0.000 0.228 519 Q C -0.032 175.551 176.000 -0.696 0.000 0.857 519 Q CA 0.060 55.702 55.803 -0.269 0.000 0.939 519 Q CB 1.103 29.802 28.738 -0.065 0.000 1.114 519 Q HN 0.436 nan 8.270 nan 0.000 0.514 520 Q N -0.186 119.174 119.800 -0.734 0.000 2.379 520 Q HA 0.455 4.797 4.340 0.005 0.000 0.278 520 Q C -1.320 174.570 176.000 -0.182 0.000 1.068 520 Q CA -0.406 55.053 55.803 -0.573 0.000 0.816 520 Q CB 2.722 31.254 28.738 -0.344 0.000 1.387 520 Q HN -0.060 nan 8.270 nan 0.000 0.413 521 S N 2.097 117.749 115.700 -0.081 0.000 2.651 521 S HA 0.564 5.037 4.470 0.005 0.000 0.291 521 S C -2.422 171.944 174.600 -0.389 0.000 1.141 521 S CA -1.149 56.930 58.200 -0.202 0.000 1.027 521 S CB 0.974 64.121 63.200 -0.089 0.000 1.043 521 S HN 0.405 nan 8.310 nan 0.000 0.530 522 P HA 0.350 nan 4.420 nan 0.000 0.280 522 P C -1.034 176.062 177.300 -0.340 0.000 1.300 522 P CA -0.024 62.661 63.100 -0.692 0.000 0.785 522 P CB 0.358 31.364 31.700 -1.156 0.000 0.874 523 V N 0.000 119.812 119.914 -0.170 0.000 2.409 523 V HA 0.000 4.123 4.120 0.005 0.000 0.244 523 V CA 0.000 62.239 62.300 -0.102 0.000 1.235 523 V CB 0.000 31.777 31.823 -0.076 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556