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 2dv6_1_C DATA FIRST_RESID 24 DATA SEQUENCE HAPVVFTLRT GIAEGRMVYI GVGGDIDHKI NPTLVVHEGE TVQVNLVNGE DATA SEQUENCE GAQHDVVVDQ YAARSAIVNG KNASSTFSFV ASKVGEFNYY CSIAGHRQAG DATA SEQUENCE MEGNIQVLPG NRAEMKSSGA DITRDPADLP GPIGPRQAKT VRIDLETVEV DATA SEQUENCE KGQLDDNTTY TYWTFNGKVP GPFLRVRVGD TVELHLKNHK DSLMVHSVDF DATA SEQUENCE HGATGPGGAA AFTQTDPGEE TVVTFKALIP GIYVYHCATP SVPTHITNGM DATA SEQUENCE YGLLLVEPEG GLPQVDREFY VMQGEIYTVK SFGTSGEQEM DYEKLINEKP DATA SEQUENCE EYFLFNGSVG SLTRSHPLYA SVGETVRIFF GVGGPNFTSS FHVIGEIFDH DATA SEQUENCE VYSLGSVVSP PLIGVQTVSV PPGGATIVDF KIDRAGRYIL VDHALSRLEH DATA SEQUENCE GLVGFLNVDG PKNDSIMHEG PA 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 24 H HA 0.000 nan 4.556 nan 0.000 0.296 24 H C 0.000 175.489 175.328 0.268 0.000 0.993 24 H CA 0.000 56.204 56.048 0.260 0.000 1.023 24 H CB 0.000 29.952 29.762 0.317 0.000 1.292 25 A N 2.268 125.338 122.820 0.418 0.000 2.322 25 A HA 0.462 4.782 4.320 0.000 0.000 0.269 25 A C -2.147 175.470 177.584 0.057 0.000 1.094 25 A CA -1.029 51.129 52.037 0.201 0.000 0.807 25 A CB -0.463 18.578 19.000 0.069 0.000 1.047 25 A HN 0.343 nan 8.150 nan 0.000 0.487 26 P HA 0.086 nan 4.420 nan 0.000 0.267 26 P C -0.223 176.994 177.300 -0.139 0.000 1.200 26 P CA 0.015 63.056 63.100 -0.099 0.000 0.772 26 P CB 0.537 32.153 31.700 -0.140 0.000 0.855 27 V N 3.982 123.785 119.914 -0.184 0.000 2.488 27 V HA 0.162 4.282 4.120 0.000 0.000 0.277 27 V C -0.291 175.531 176.094 -0.453 0.000 1.046 27 V CA -0.213 61.908 62.300 -0.299 0.000 0.986 27 V CB 0.927 32.609 31.823 -0.235 0.000 0.989 27 V HN 0.248 nan 8.190 nan 0.000 0.475 28 V N 7.973 127.546 119.914 -0.568 0.000 2.495 28 V HA 0.575 4.695 4.120 0.000 0.000 0.298 28 V C -0.609 175.054 176.094 -0.719 0.000 1.031 28 V CA -0.500 61.513 62.300 -0.479 0.000 0.871 28 V CB 1.567 33.228 31.823 -0.269 0.000 0.988 28 V HN 0.762 nan 8.190 nan 0.000 0.432 29 F N 1.232 121.075 119.950 -0.178 0.000 2.520 29 F HA 0.603 5.130 4.527 0.000 0.000 0.322 29 F C 0.505 176.211 175.800 -0.156 0.000 1.103 29 F CA -0.549 57.353 58.000 -0.162 0.000 0.926 29 F CB 2.323 41.205 39.000 -0.197 0.000 1.154 29 F HN 0.321 nan 8.300 nan 0.000 0.453 30 T N 4.786 119.371 114.554 0.051 0.000 2.771 30 T HA 0.650 5.001 4.350 0.000 0.000 0.281 30 T C -0.495 174.215 174.700 0.017 0.000 0.982 30 T CA -0.547 61.558 62.100 0.008 0.000 0.978 30 T CB 0.726 69.584 68.868 -0.018 0.000 0.930 30 T HN 0.318 nan 8.240 nan 0.000 0.447 31 L N 4.202 125.433 121.223 0.013 0.000 2.341 31 L HA 0.653 4.993 4.340 0.000 0.000 0.278 31 L C 0.361 177.287 176.870 0.093 0.000 1.005 31 L CA -1.125 53.745 54.840 0.050 0.000 0.818 31 L CB 1.712 43.776 42.059 0.008 0.000 1.259 31 L HN 0.580 nan 8.230 nan 0.000 0.418 32 R N 0.387 120.941 120.500 0.090 0.000 2.664 32 R HA 0.685 5.025 4.340 0.000 0.000 0.286 32 R C -0.446 175.896 176.300 0.072 0.000 0.967 32 R CA -0.623 55.522 56.100 0.077 0.000 0.933 32 R CB 1.625 31.945 30.300 0.033 0.000 1.146 32 R HN 0.603 nan 8.270 nan 0.000 0.468 33 T N -0.890 113.668 114.554 0.008 0.000 2.913 33 T HA 0.747 5.097 4.350 0.000 0.000 0.287 33 T C 0.464 175.114 174.700 -0.084 0.000 1.008 33 T CA 0.055 62.062 62.100 -0.156 0.000 1.067 33 T CB 1.592 70.179 68.868 -0.468 0.000 0.996 33 T HN 0.902 nan 8.240 nan 0.000 0.513 34 G N 0.905 109.636 108.800 -0.115 0.000 2.348 34 G HA2 0.462 4.422 3.960 0.000 0.000 0.296 34 G HA3 0.462 4.422 3.960 0.000 0.000 0.296 34 G C -1.923 172.942 174.900 -0.060 0.000 1.258 34 G CA -0.883 44.188 45.100 -0.048 0.000 0.868 34 G HN 0.743 nan 8.290 nan 0.000 0.488 35 I N 1.348 121.902 120.570 -0.025 0.000 2.389 35 I HA 0.772 4.942 4.170 0.000 0.000 0.288 35 I C 0.320 176.434 176.117 -0.005 0.000 0.999 35 I CA -0.872 60.413 61.300 -0.024 0.000 1.129 35 I CB 0.544 38.535 38.000 -0.016 0.000 1.288 35 I HN 1.067 nan 8.210 nan 0.000 0.444 36 A N 4.386 127.203 122.820 -0.005 0.000 2.605 36 A HA 0.600 4.920 4.320 0.000 0.000 0.294 36 A C 0.013 177.602 177.584 0.008 0.000 1.062 36 A CA -0.546 51.498 52.037 0.012 0.000 0.682 36 A CB 0.912 19.929 19.000 0.029 0.000 1.278 36 A HN 0.764 nan 8.150 nan 0.000 0.410 37 E N 0.112 120.320 120.200 0.013 0.000 2.403 37 E HA -0.253 4.097 4.350 0.000 0.000 0.241 37 E C 1.057 177.658 176.600 0.002 0.000 1.201 37 E CA 1.621 58.026 56.400 0.009 0.000 0.721 37 E CB -1.528 28.180 29.700 0.013 0.000 1.245 37 E HN 2.473 nan 8.360 nan 0.000 0.392 38 G N -0.450 108.349 108.800 -0.002 0.000 2.159 38 G HA2 -0.359 3.601 3.960 0.000 0.000 0.256 38 G HA3 -0.359 3.601 3.960 0.000 0.000 0.256 38 G C 0.194 175.085 174.900 -0.014 0.000 0.977 38 G CA 0.658 45.755 45.100 -0.007 0.000 0.652 38 G HN 0.321 nan 8.290 nan 0.000 0.531 39 R N -1.226 119.262 120.500 -0.020 0.000 2.799 39 R HA 0.706 5.046 4.340 0.000 0.000 0.270 39 R C -0.153 176.115 176.300 -0.054 0.000 1.010 39 R CA -0.966 55.114 56.100 -0.034 0.000 0.916 39 R CB 1.149 31.431 30.300 -0.029 0.000 1.228 39 R HN 0.188 nan 8.270 nan 0.000 0.469 40 M N 2.870 122.420 119.600 -0.084 0.000 2.120 40 M HA 0.379 4.860 4.480 0.000 0.000 0.354 40 M C -0.951 175.248 176.300 -0.168 0.000 1.287 40 M CA -0.336 54.883 55.300 -0.134 0.000 1.103 40 M CB 0.617 33.109 32.600 -0.180 0.000 1.623 40 M HN 0.554 nan 8.290 nan 0.000 0.471 41 V N 2.278 122.074 119.914 -0.198 0.000 3.202 41 V HA 0.578 4.698 4.120 0.000 0.000 0.306 41 V C -1.590 174.339 176.094 -0.274 0.000 1.283 41 V CA -1.112 61.080 62.300 -0.181 0.000 1.065 41 V CB 1.550 33.350 31.823 -0.038 0.000 1.079 41 V HN 0.765 nan 8.190 nan 0.000 0.448 42 Y N 0.731 121.043 120.300 0.021 0.000 2.320 42 Y HA 0.793 5.343 4.550 0.000 0.000 0.324 42 Y C 0.154 176.081 175.900 0.044 0.000 1.190 42 Y CA -0.450 57.677 58.100 0.047 0.000 1.215 42 Y CB 1.505 40.068 38.460 0.173 0.000 1.221 42 Y HN 0.497 nan 8.280 nan 0.000 0.486 43 I N 1.770 122.452 120.570 0.186 0.000 2.466 43 I HA 0.425 4.595 4.170 0.000 0.000 0.289 43 I C 0.446 176.603 176.117 0.066 0.000 1.026 43 I CA -0.715 60.646 61.300 0.101 0.000 1.078 43 I CB 1.895 39.923 38.000 0.045 0.000 1.249 43 I HN 0.747 nan 8.210 nan 0.000 0.429 44 G N 4.732 113.563 108.800 0.051 0.000 2.544 44 G HA2 0.477 4.437 3.960 0.000 0.000 0.242 44 G HA3 0.477 4.437 3.960 0.000 0.000 0.242 44 G C -0.571 174.298 174.900 -0.052 0.000 1.247 44 G CA -0.152 44.963 45.100 0.024 0.000 0.840 44 G HN 0.388 nan 8.290 nan 0.000 0.578 45 V N 1.983 121.874 119.914 -0.040 0.000 2.482 45 V HA 0.756 4.876 4.120 0.000 0.000 0.295 45 V C 0.798 176.860 176.094 -0.053 0.000 1.026 45 V CA 0.439 62.687 62.300 -0.088 0.000 0.856 45 V CB 0.387 32.169 31.823 -0.068 0.000 1.001 45 V HN 1.862 nan 8.190 nan 0.000 0.424 46 G N 3.692 112.458 108.800 -0.056 0.000 2.741 46 G HA2 0.344 4.304 3.960 0.000 0.000 0.222 46 G HA3 0.344 4.304 3.960 0.000 0.000 0.222 46 G C 0.627 175.506 174.900 -0.034 0.000 1.364 46 G CA -0.181 44.889 45.100 -0.051 0.000 0.866 46 G HN 2.300 nan 8.290 nan 0.000 0.555 47 G N -0.474 108.282 108.800 -0.073 0.000 2.594 47 G HA2 -0.010 3.951 3.960 0.000 0.000 0.297 47 G HA3 -0.010 3.951 3.960 0.000 0.000 0.297 47 G C 0.777 175.683 174.900 0.010 0.000 1.273 47 G CA 1.507 46.575 45.100 -0.053 0.000 0.974 47 G HN 2.441 nan 8.290 nan 0.000 0.552 48 D N 0.109 120.540 120.400 0.052 0.000 2.340 48 D HA 0.148 4.788 4.640 0.000 0.000 0.220 48 D C 1.857 178.209 176.300 0.086 0.000 1.039 48 D CA 1.119 55.162 54.000 0.072 0.000 0.866 48 D CB -0.268 40.586 40.800 0.089 0.000 0.913 48 D HN 1.011 nan 8.370 nan 0.000 0.523 49 I N -3.744 116.882 120.570 0.093 0.000 4.081 49 I HA 0.296 4.466 4.170 0.000 0.000 0.333 49 I C -0.104 176.053 176.117 0.066 0.000 1.413 49 I CA -0.660 60.694 61.300 0.090 0.000 1.110 49 I CB 0.145 38.213 38.000 0.113 0.000 1.082 49 I HN -0.353 nan 8.210 nan 0.000 0.402 50 D N 2.360 122.795 120.400 0.058 0.000 2.472 50 D HA -0.077 4.563 4.640 0.000 0.000 0.248 50 D C 0.919 177.291 176.300 0.120 0.000 1.174 50 D CA 1.237 55.263 54.000 0.042 0.000 0.883 50 D CB 0.035 40.885 40.800 0.085 0.000 1.149 50 D HN 0.368 nan 8.370 nan 0.000 0.488 51 H N 0.815 119.910 119.070 0.042 0.000 3.641 51 H HA -0.185 4.371 4.556 0.000 0.000 0.193 51 H C -0.173 175.182 175.328 0.045 0.000 1.013 51 H CA 1.049 57.122 56.048 0.041 0.000 1.212 51 H CB -1.010 28.771 29.762 0.032 0.000 1.089 51 H HN 0.512 nan 8.280 nan 0.000 0.339 52 K N 0.889 121.358 120.400 0.116 0.000 2.218 52 K HA 0.455 4.775 4.320 0.000 0.000 0.276 52 K C 0.711 177.368 176.600 0.095 0.000 1.022 52 K CA -0.381 55.965 56.287 0.098 0.000 0.946 52 K CB 1.435 33.986 32.500 0.085 0.000 1.000 52 K HN 0.050 nan 8.250 nan 0.000 0.468 53 I N 2.772 123.396 120.570 0.090 0.000 2.365 53 I HA -0.009 4.161 4.170 0.000 0.000 0.291 53 I C -0.007 176.177 176.117 0.112 0.000 1.004 53 I CA -0.073 61.284 61.300 0.095 0.000 1.311 53 I CB 0.565 38.606 38.000 0.068 0.000 1.401 53 I HN 0.749 nan 8.210 nan 0.000 0.491 54 N N 4.770 123.575 118.700 0.175 0.000 2.705 54 N HA -0.142 4.598 4.740 0.000 0.000 0.255 54 N C -2.441 173.170 175.510 0.167 0.000 1.008 54 N CA -0.361 52.812 53.050 0.205 0.000 0.742 54 N CB -1.030 37.520 38.487 0.104 0.000 0.906 54 N HN 0.401 nan 8.380 nan 0.000 0.541 55 P HA 0.044 nan 4.420 nan 0.000 0.272 55 P C -0.167 177.212 177.300 0.131 0.000 1.223 55 P CA 0.121 63.293 63.100 0.121 0.000 0.784 55 P CB 0.728 32.479 31.700 0.084 0.000 0.923 56 T N 3.182 117.773 114.554 0.062 0.000 2.814 56 T HA 0.239 4.589 4.350 0.000 0.000 0.297 56 T C 0.403 175.058 174.700 -0.074 0.000 0.956 56 T CA -0.153 61.968 62.100 0.036 0.000 1.123 56 T CB -0.188 68.693 68.868 0.022 0.000 0.902 56 T HN 0.192 nan 8.240 nan 0.000 0.528 57 L N 4.319 125.434 121.223 -0.180 0.000 2.268 57 L HA 0.432 4.772 4.340 0.000 0.000 0.289 57 L C 0.314 176.999 176.870 -0.309 0.000 1.064 57 L CA -0.810 53.664 54.840 -0.610 0.000 0.824 57 L CB 0.715 42.185 42.059 -0.981 0.000 1.202 57 L HN 0.368 nan 8.230 nan 0.000 0.433 58 V N 5.884 125.724 119.914 -0.123 0.000 2.465 58 V HA 0.614 4.735 4.120 0.000 0.000 0.279 58 V C -0.288 175.853 176.094 0.080 0.000 1.045 58 V CA -0.038 62.258 62.300 -0.007 0.000 0.938 58 V CB 1.867 33.690 31.823 0.001 0.000 0.986 58 V HN 0.481 nan 8.190 nan 0.000 0.467 59 V N 6.404 126.303 119.914 -0.026 0.000 3.114 59 V HA 0.610 4.730 4.120 0.000 0.000 0.308 59 V C -0.963 175.044 176.094 -0.145 0.000 1.168 59 V CA -0.735 61.579 62.300 0.024 0.000 1.015 59 V CB 2.614 34.475 31.823 0.062 0.000 1.050 59 V HN 0.979 nan 8.190 nan 0.000 0.433 60 H N 1.593 120.703 119.070 0.068 0.000 2.569 60 H HA 0.372 4.928 4.556 0.000 0.000 0.357 60 H C -0.359 175.001 175.328 0.053 0.000 1.153 60 H CA -0.545 55.540 56.048 0.062 0.000 1.193 60 H CB 2.106 31.897 29.762 0.049 0.000 1.602 60 H HN 0.738 nan 8.280 nan 0.000 0.523 61 E N 0.644 120.953 120.200 0.182 0.000 2.529 61 E HA 0.049 4.400 4.350 0.000 0.000 0.259 61 E C 0.716 177.374 176.600 0.096 0.000 0.966 61 E CA 1.073 57.554 56.400 0.134 0.000 0.937 61 E CB 0.191 29.969 29.700 0.129 0.000 0.923 61 E HN 0.956 nan 8.360 nan 0.000 0.468 62 G N 3.685 112.526 108.800 0.068 0.000 2.241 62 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 62 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 62 G C 0.014 174.908 174.900 -0.009 0.000 0.998 62 G CA 0.264 45.380 45.100 0.027 0.000 0.621 62 G HN 0.622 nan 8.290 nan 0.000 0.519 63 E N 1.232 121.429 120.200 -0.006 0.000 2.398 63 E HA 0.405 4.755 4.350 0.000 0.000 0.263 63 E C -0.005 176.511 176.600 -0.139 0.000 1.046 63 E CA 0.457 56.826 56.400 -0.052 0.000 0.908 63 E CB 0.483 30.172 29.700 -0.017 0.000 0.963 63 E HN 0.157 nan 8.360 nan 0.000 0.431 64 T N 2.169 116.630 114.554 -0.156 0.000 2.780 64 T HA 0.244 4.594 4.350 0.000 0.000 0.294 64 T C -0.320 174.180 174.700 -0.334 0.000 0.949 64 T CA -0.535 61.422 62.100 -0.240 0.000 1.074 64 T CB 0.626 69.396 68.868 -0.164 0.000 0.910 64 T HN 0.085 nan 8.240 nan 0.000 0.501 65 V N 4.604 124.157 119.914 -0.602 0.000 2.398 65 V HA 0.418 4.538 4.120 0.000 0.000 0.286 65 V C 0.068 175.799 176.094 -0.606 0.000 1.026 65 V CA -0.756 61.159 62.300 -0.642 0.000 0.868 65 V CB 1.549 32.755 31.823 -1.029 0.000 0.982 65 V HN 0.805 nan 8.190 nan 0.000 0.443 66 Q N 3.693 123.259 119.800 -0.391 0.000 2.316 66 Q HA 0.685 5.025 4.340 0.000 0.000 0.264 66 Q C -1.776 174.026 176.000 -0.330 0.000 0.987 66 Q CA -0.473 55.106 55.803 -0.373 0.000 0.852 66 Q CB 2.184 30.765 28.738 -0.261 0.000 1.287 66 Q HN 0.578 nan 8.270 nan 0.000 0.448 67 V N 4.289 123.900 119.914 -0.506 0.000 2.448 67 V HA 0.390 4.510 4.120 0.000 0.000 0.295 67 V C -0.699 175.270 176.094 -0.209 0.000 1.025 67 V CA -0.996 61.088 62.300 -0.361 0.000 0.859 67 V CB 1.822 33.314 31.823 -0.550 0.000 0.988 67 V HN 0.762 nan 8.190 nan 0.000 0.431 68 N N 4.871 123.521 118.700 -0.082 0.000 2.437 68 N HA 0.421 5.161 4.740 0.000 0.000 0.259 68 N C -0.908 174.624 175.510 0.038 0.000 0.983 68 N CA -0.316 52.728 53.050 -0.010 0.000 0.937 68 N CB 2.285 40.752 38.487 -0.032 0.000 1.122 68 N HN 0.560 nan 8.380 nan 0.000 0.499 69 L N 2.902 124.184 121.223 0.098 0.000 2.282 69 L HA 0.488 4.828 4.340 0.000 0.000 0.288 69 L C -0.995 175.938 176.870 0.106 0.000 1.033 69 L CA -0.689 54.226 54.840 0.125 0.000 0.807 69 L CB 1.139 43.307 42.059 0.180 0.000 1.209 69 L HN 0.122 nan 8.230 nan 0.000 0.423 70 V N 4.407 124.380 119.914 0.099 0.000 2.487 70 V HA 0.281 4.401 4.120 0.000 0.000 0.298 70 V C 0.137 176.293 176.094 0.102 0.000 1.028 70 V CA -0.995 61.356 62.300 0.084 0.000 0.860 70 V CB 1.737 33.593 31.823 0.054 0.000 0.991 70 V HN 0.707 nan 8.190 nan 0.000 0.427 71 N N 3.305 122.077 118.700 0.119 0.000 2.452 71 N HA 0.130 4.871 4.740 0.000 0.000 0.266 71 N C 1.034 176.609 175.510 0.109 0.000 1.209 71 N CA 0.873 54.017 53.050 0.158 0.000 0.929 71 N CB 1.915 40.503 38.487 0.168 0.000 1.063 71 N HN 0.834 nan 8.380 nan 0.000 0.472 72 G N 2.822 111.680 108.800 0.096 0.000 2.510 72 G HA2 -0.128 3.832 3.960 0.000 0.000 0.212 72 G HA3 -0.128 3.832 3.960 0.000 0.000 0.212 72 G C 0.882 175.822 174.900 0.067 0.000 1.151 72 G CA 0.263 45.400 45.100 0.063 0.000 0.817 72 G HN 0.679 nan 8.290 nan 0.000 0.534 73 E N -0.496 119.760 120.200 0.092 0.000 2.572 73 E HA 0.241 4.591 4.350 0.000 0.000 0.220 73 E C 1.327 177.969 176.600 0.070 0.000 0.945 73 E CA 0.922 57.366 56.400 0.074 0.000 1.070 73 E CB -0.071 29.665 29.700 0.061 0.000 1.090 73 E HN 0.747 nan 8.360 nan 0.000 0.506 74 G N 0.783 109.635 108.800 0.086 0.000 2.163 74 G HA2 -0.142 3.818 3.960 0.000 0.000 0.213 74 G HA3 -0.142 3.818 3.960 0.000 0.000 0.213 74 G C 0.490 175.387 174.900 -0.006 0.000 0.991 74 G CA 0.119 45.242 45.100 0.039 0.000 0.653 74 G HN 0.713 nan 8.290 nan 0.000 0.518 75 A N -0.312 122.489 122.820 -0.031 0.000 2.257 75 A HA 0.760 5.081 4.320 0.000 0.000 0.289 75 A C 0.539 177.857 177.584 -0.443 0.000 1.095 75 A CA 0.267 52.204 52.037 -0.167 0.000 0.836 75 A CB 0.540 19.469 19.000 -0.118 0.000 1.111 75 A HN 0.577 nan 8.150 nan 0.000 0.497 76 Q N 0.433 120.024 119.800 -0.347 0.000 2.304 76 Q HA 0.350 4.690 4.340 0.000 0.000 0.260 76 Q C -1.144 174.574 176.000 -0.471 0.000 0.965 76 Q CA 0.043 55.656 55.803 -0.317 0.000 0.898 76 Q CB 0.263 28.898 28.738 -0.172 0.000 1.196 76 Q HN 0.818 nan 8.270 nan 0.000 0.402 77 H N 1.852 120.960 119.070 0.064 0.000 2.980 77 H HA 0.359 4.915 4.556 0.000 0.000 0.367 77 H C -1.143 174.221 175.328 0.060 0.000 1.206 77 H CA -0.775 55.326 56.048 0.088 0.000 1.126 77 H CB 1.835 31.669 29.762 0.121 0.000 1.838 77 H HN 0.791 nan 8.280 nan 0.000 0.552 78 D N -0.437 120.093 120.400 0.217 0.000 2.744 78 D HA 0.501 5.142 4.640 0.000 0.000 0.304 78 D C -1.000 175.409 176.300 0.181 0.000 1.179 78 D CA -0.754 53.318 54.000 0.121 0.000 1.024 78 D CB 1.129 41.920 40.800 -0.016 0.000 1.453 78 D HN 0.192 nan 8.370 nan 0.000 0.529 79 V N -0.318 119.608 119.914 0.021 0.000 2.588 79 V HA 0.623 4.743 4.120 0.000 0.000 0.304 79 V C -0.573 175.342 176.094 -0.299 0.000 1.042 79 V CA -0.802 61.486 62.300 -0.020 0.000 0.877 79 V CB 1.764 33.604 31.823 0.027 0.000 0.996 79 V HN 0.561 nan 8.190 nan 0.000 0.425 80 V N 4.624 124.308 119.914 -0.384 0.000 2.531 80 V HA 0.457 4.577 4.120 0.000 0.000 0.301 80 V C -0.337 175.535 176.094 -0.369 0.000 1.034 80 V CA -0.711 61.274 62.300 -0.525 0.000 0.865 80 V CB 2.161 33.505 31.823 -0.799 0.000 0.995 80 V HN 0.605 nan 8.190 nan 0.000 0.424 81 V N 3.252 123.052 119.914 -0.190 0.000 2.334 81 V HA 0.244 4.364 4.120 0.000 0.000 0.267 81 V C 0.231 176.344 176.094 0.031 0.000 1.040 81 V CA -0.481 61.782 62.300 -0.061 0.000 0.866 81 V CB 1.159 32.829 31.823 -0.254 0.000 1.019 81 V HN 0.876 nan 8.190 nan 0.000 0.468 82 D N 4.307 124.834 120.400 0.212 0.000 2.520 82 D HA 0.043 4.684 4.640 0.000 0.000 0.243 82 D C 1.020 177.442 176.300 0.204 0.000 1.160 82 D CA 1.089 55.257 54.000 0.280 0.000 0.877 82 D CB 0.514 41.516 40.800 0.336 0.000 1.150 82 D HN 0.760 nan 8.370 nan 0.000 0.494 83 Q N 1.363 121.223 119.800 0.100 0.000 4.249 83 Q HA -0.323 4.017 4.340 0.000 0.000 0.219 83 Q C 0.906 176.777 176.000 -0.215 0.000 1.531 83 Q CA 1.276 57.066 55.803 -0.022 0.000 0.888 83 Q CB -1.441 27.346 28.738 0.081 0.000 0.746 83 Q HN 0.648 nan 8.270 nan 0.000 0.993 84 Y N 0.040 120.214 120.300 -0.211 0.000 2.546 84 Y HA 0.320 4.870 4.550 0.000 0.000 0.287 84 Y C 1.369 177.170 175.900 -0.165 0.000 1.158 84 Y CA 0.815 58.752 58.100 -0.272 0.000 1.307 84 Y CB 0.577 38.700 38.460 -0.563 0.000 1.036 84 Y HN 0.356 nan 8.280 nan 0.000 0.532 85 A N 0.210 123.025 122.820 -0.007 0.000 2.783 85 A HA -0.085 4.235 4.320 0.000 0.000 0.292 85 A C 0.479 178.052 177.584 -0.018 0.000 1.495 85 A CA 0.639 52.668 52.037 -0.014 0.000 0.787 85 A CB -1.878 17.120 19.000 -0.003 0.000 1.017 85 A HN 0.542 nan 8.150 nan 0.000 0.516 86 A N -0.200 122.586 122.820 -0.055 0.000 2.342 86 A HA 0.913 5.233 4.320 0.000 0.000 0.323 86 A C 0.149 177.578 177.584 -0.258 0.000 1.125 86 A CA 0.037 52.063 52.037 -0.018 0.000 0.785 86 A CB 0.953 20.005 19.000 0.086 0.000 1.221 86 A HN 1.815 nan 8.150 nan 0.000 0.463 87 R N 0.268 120.458 120.500 -0.518 0.000 2.734 87 R HA 0.695 5.036 4.340 0.000 0.000 0.271 87 R C -0.487 175.096 176.300 -1.196 0.000 1.021 87 R CA -0.173 55.353 56.100 -0.956 0.000 0.893 87 R CB 0.988 31.006 30.300 -0.470 0.000 1.244 87 R HN 0.803 nan 8.270 nan 0.000 0.464 88 S N 0.947 115.973 115.700 -1.123 0.000 2.652 88 S HA 0.694 5.164 4.470 0.000 0.000 0.270 88 S C 0.511 174.974 174.600 -0.228 0.000 1.243 88 S CA -0.397 57.511 58.200 -0.487 0.000 0.999 88 S CB 1.325 64.420 63.200 -0.175 0.000 0.973 88 S HN 0.869 nan 8.310 nan 0.000 0.544 89 A N 1.196 123.963 122.820 -0.087 0.000 2.386 89 A HA 0.501 4.821 4.320 0.000 0.000 0.246 89 A C 0.306 177.874 177.584 -0.028 0.000 1.089 89 A CA -0.682 51.325 52.037 -0.050 0.000 0.790 89 A CB -0.425 18.568 19.000 -0.013 0.000 1.042 89 A HN 0.836 nan 8.150 nan 0.000 0.497 90 I N 0.434 120.990 120.570 -0.023 0.000 2.575 90 I HA 0.244 4.414 4.170 0.000 0.000 0.285 90 I C -0.287 175.839 176.117 0.014 0.000 1.085 90 I CA 0.138 61.435 61.300 -0.005 0.000 1.403 90 I CB 1.200 39.186 38.000 -0.024 0.000 1.409 90 I HN 0.234 nan 8.210 nan 0.000 0.557 91 V N 7.257 127.194 119.914 0.038 0.000 2.444 91 V HA 0.290 4.410 4.120 0.000 0.000 0.294 91 V C 0.366 176.476 176.094 0.026 0.000 1.022 91 V CA -0.430 61.900 62.300 0.051 0.000 0.850 91 V CB 1.497 33.380 31.823 0.099 0.000 0.992 91 V HN 0.769 nan 8.190 nan 0.000 0.426 92 N N 3.270 121.977 118.700 0.011 0.000 2.508 92 N HA 0.138 4.878 4.740 0.000 0.000 0.186 92 N C 0.689 176.196 175.510 -0.004 0.000 1.034 92 N CA 0.668 53.710 53.050 -0.013 0.000 0.885 92 N CB 0.876 39.354 38.487 -0.015 0.000 1.135 92 N HN 0.684 nan 8.380 nan 0.000 0.435 93 G N 0.642 109.451 108.800 0.015 0.000 2.509 93 G HA2 0.326 4.286 3.960 0.000 0.000 0.328 93 G HA3 0.326 4.286 3.960 0.000 0.000 0.328 93 G C -0.506 174.417 174.900 0.039 0.000 1.194 93 G CA -0.466 44.646 45.100 0.020 0.000 0.967 93 G HN -0.012 nan 8.290 nan 0.000 0.488 94 K N 0.351 120.775 120.400 0.040 0.000 2.530 94 K HA -0.069 4.252 4.320 0.000 0.000 0.280 94 K C 0.548 177.175 176.600 0.045 0.000 1.004 94 K CA 0.846 57.163 56.287 0.049 0.000 1.071 94 K CB 0.081 32.605 32.500 0.040 0.000 0.876 94 K HN 0.563 nan 8.250 nan 0.000 0.487 95 N N -0.196 118.535 118.700 0.052 0.000 2.920 95 N HA -0.192 4.548 4.740 0.000 0.000 0.199 95 N C -0.705 174.832 175.510 0.046 0.000 0.997 95 N CA 1.403 54.480 53.050 0.044 0.000 1.034 95 N CB -1.587 36.921 38.487 0.034 0.000 0.977 95 N HN 0.688 nan 8.380 nan 0.000 0.579 96 A N 0.479 123.329 122.820 0.049 0.000 2.520 96 A HA 0.525 4.845 4.320 0.000 0.000 0.235 96 A C 0.413 178.033 177.584 0.059 0.000 1.065 96 A CA 0.926 52.991 52.037 0.047 0.000 0.764 96 A CB 0.329 19.355 19.000 0.043 0.000 1.002 96 A HN 0.237 nan 8.150 nan 0.000 0.502 97 S N -0.049 115.682 115.700 0.052 0.000 2.546 97 S HA 0.691 5.161 4.470 0.000 0.000 0.274 97 S C -0.624 174.013 174.600 0.060 0.000 1.121 97 S CA -0.502 57.733 58.200 0.059 0.000 0.887 97 S CB 1.852 65.078 63.200 0.043 0.000 1.094 97 S HN 1.084 nan 8.310 nan 0.000 0.474 98 S N 1.816 117.565 115.700 0.081 0.000 2.619 98 S HA 0.689 5.159 4.470 0.000 0.000 0.280 98 S C -0.723 173.962 174.600 0.142 0.000 1.150 98 S CA -0.570 57.687 58.200 0.095 0.000 0.978 98 S CB 0.962 64.213 63.200 0.086 0.000 1.041 98 S HN 0.841 nan 8.310 nan 0.000 0.485 99 T N 2.514 117.143 114.554 0.125 0.000 2.829 99 T HA 0.821 5.171 4.350 0.000 0.000 0.282 99 T C -0.480 174.362 174.700 0.238 0.000 0.990 99 T CA -0.568 61.604 62.100 0.119 0.000 1.028 99 T CB 0.741 69.624 68.868 0.025 0.000 0.951 99 T HN 0.769 nan 8.240 nan 0.000 0.460 100 F N -0.196 119.749 119.950 -0.008 0.000 2.685 100 F HA 0.869 5.396 4.527 0.000 0.000 0.315 100 F C -0.788 175.020 175.800 0.015 0.000 1.126 100 F CA -1.084 56.922 58.000 0.009 0.000 0.950 100 F CB 1.188 40.203 39.000 0.024 0.000 1.360 100 F HN 0.884 nan 8.300 nan 0.000 0.469 101 S N 0.696 116.397 115.700 0.001 0.000 2.685 101 S HA 0.945 5.415 4.470 0.000 0.000 0.282 101 S C -1.370 173.292 174.600 0.103 0.000 1.159 101 S CA -0.614 57.484 58.200 -0.170 0.000 0.833 101 S CB 2.399 65.494 63.200 -0.175 0.000 1.151 101 S HN 1.707 nan 8.310 nan 0.000 0.485 102 F N -1.847 118.020 119.950 -0.138 0.000 2.725 102 F HA 0.705 5.232 4.527 0.000 0.000 0.309 102 F C -1.880 173.830 175.800 -0.150 0.000 1.132 102 F CA -1.373 56.565 58.000 -0.103 0.000 0.957 102 F CB 0.657 39.591 39.000 -0.110 0.000 1.286 102 F HN 0.460 nan 8.300 nan 0.000 0.440 103 V N 2.396 122.324 119.914 0.023 0.000 2.461 103 V HA 0.601 4.721 4.120 0.000 0.000 0.275 103 V C 0.626 176.757 176.094 0.062 0.000 1.047 103 V CA -0.204 62.074 62.300 -0.038 0.000 0.955 103 V CB 0.953 32.795 31.823 0.032 0.000 0.988 103 V HN 1.074 nan 8.190 nan 0.000 0.471 104 A N 3.829 126.603 122.820 -0.077 0.000 2.990 104 A HA 0.350 4.670 4.320 0.000 0.000 0.282 104 A C 1.485 179.179 177.584 0.183 0.000 1.688 104 A CA 0.238 52.283 52.037 0.014 0.000 1.391 104 A CB -0.407 18.563 19.000 -0.050 0.000 1.112 104 A HN 1.022 nan 8.150 nan 0.000 0.588 105 S N 1.201 117.089 115.700 0.313 0.000 2.395 105 S HA -0.039 4.432 4.470 0.000 0.000 0.225 105 S C 0.670 175.385 174.600 0.192 0.000 1.027 105 S CA 0.623 58.947 58.200 0.206 0.000 0.965 105 S CB -0.288 63.011 63.200 0.166 0.000 0.812 105 S HN 0.665 nan 8.310 nan 0.000 0.482 106 K N 2.107 122.651 120.400 0.239 0.000 2.240 106 K HA 0.620 4.940 4.320 0.000 0.000 0.271 106 K C -0.851 175.972 176.600 0.373 0.000 1.018 106 K CA -0.702 55.716 56.287 0.218 0.000 0.874 106 K CB 1.756 34.332 32.500 0.127 0.000 1.098 106 K HN -0.067 nan 8.250 nan 0.000 0.458 107 V N 2.423 122.507 119.914 0.284 0.000 2.999 107 V HA 0.376 4.496 4.120 0.000 0.000 0.307 107 V C 1.007 177.294 176.094 0.321 0.000 1.084 107 V CA 1.104 63.568 62.300 0.273 0.000 1.155 107 V CB 0.548 32.462 31.823 0.153 0.000 0.975 107 V HN 1.066 nan 8.190 nan 0.000 0.490 108 G N 3.388 112.324 108.800 0.226 0.000 2.369 108 G HA2 0.208 4.168 3.960 0.000 0.000 0.295 108 G HA3 0.208 4.168 3.960 0.000 0.000 0.295 108 G C -1.193 173.558 174.900 -0.248 0.000 1.298 108 G CA -0.255 44.776 45.100 -0.115 0.000 0.940 108 G HN 0.864 nan 8.290 nan 0.000 0.536 109 E N -0.537 119.302 120.200 -0.602 0.000 2.176 109 E HA 0.707 5.057 4.350 0.000 0.000 0.267 109 E C -1.431 174.780 176.600 -0.648 0.000 0.893 109 E CA -0.798 55.381 56.400 -0.369 0.000 0.761 109 E CB 1.020 30.605 29.700 -0.193 0.000 1.133 109 E HN 0.358 nan 8.360 nan 0.000 0.409 110 F N 2.121 122.128 119.950 0.096 0.000 2.565 110 F HA 0.374 4.901 4.527 0.000 0.000 0.313 110 F C 0.048 175.913 175.800 0.108 0.000 1.091 110 F CA -0.961 57.108 58.000 0.115 0.000 0.915 110 F CB 1.737 40.855 39.000 0.196 0.000 1.208 110 F HN 0.386 nan 8.300 nan 0.000 0.453 111 N N 1.160 120.014 118.700 0.257 0.000 2.529 111 N HA 0.323 5.063 4.740 0.000 0.000 0.278 111 N C -1.421 174.270 175.510 0.302 0.000 1.146 111 N CA -0.573 52.589 53.050 0.187 0.000 0.980 111 N CB 0.743 39.315 38.487 0.141 0.000 1.124 111 N HN 0.607 nan 8.380 nan 0.000 0.458 112 Y N 0.345 120.745 120.300 0.167 0.000 2.409 112 Y HA 0.651 5.201 4.550 0.000 0.000 0.339 112 Y C -0.884 175.140 175.900 0.207 0.000 1.033 112 Y CA -1.291 56.860 58.100 0.084 0.000 1.094 112 Y CB 0.682 39.106 38.460 -0.061 0.000 1.210 112 Y HN 0.581 nan 8.280 nan 0.000 0.456 113 Y N 0.740 121.179 120.300 0.233 0.000 2.656 113 Y HA 0.580 5.130 4.550 0.000 0.000 0.334 113 Y C -1.409 174.695 175.900 0.339 0.000 1.179 113 Y CA -2.242 56.013 58.100 0.259 0.000 1.050 113 Y CB 0.521 39.052 38.460 0.119 0.000 1.308 113 Y HN 1.015 nan 8.280 nan 0.000 0.456 114 C N 2.425 122.015 119.300 0.483 0.000 2.435 114 C HA 0.505 4.965 4.460 0.000 0.000 0.375 114 C C 1.622 176.808 174.990 0.327 0.000 1.281 114 C CA 0.567 59.784 59.018 0.331 0.000 1.963 114 C CB 0.008 27.936 27.740 0.313 0.000 2.490 114 C HN 0.993 nan 8.230 nan 0.000 0.557 115 S N 5.692 121.490 115.700 0.162 0.000 2.558 115 S HA 0.150 4.620 4.470 0.000 0.000 0.217 115 S C 0.580 175.213 174.600 0.054 0.000 0.975 115 S CA 0.033 58.340 58.200 0.179 0.000 0.912 115 S CB -0.288 62.961 63.200 0.081 0.000 0.776 115 S HN 0.684 nan 8.310 nan 0.000 0.526 116 I N 3.052 123.585 120.570 -0.061 0.000 2.692 116 I HA 0.240 4.410 4.170 0.000 0.000 0.284 116 I C 1.113 177.085 176.117 -0.242 0.000 1.159 116 I CA -0.834 60.303 61.300 -0.272 0.000 1.423 116 I CB -0.554 37.064 38.000 -0.636 0.000 1.380 116 I HN 0.297 nan 8.210 nan 0.000 0.580 117 A N 4.793 127.517 122.820 -0.160 0.000 2.545 117 A HA 0.409 4.729 4.320 0.000 0.000 0.253 117 A C 1.328 178.939 177.584 0.046 0.000 1.074 117 A CA 0.634 52.647 52.037 -0.039 0.000 0.760 117 A CB -0.654 18.331 19.000 -0.026 0.000 1.005 117 A HN 1.414 nan 8.150 nan 0.000 0.506 118 G N 1.580 110.439 108.800 0.097 0.000 2.241 118 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 118 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 118 G C 0.858 175.892 174.900 0.223 0.000 0.998 118 G CA 0.762 45.951 45.100 0.148 0.000 0.621 118 G HN 0.921 nan 8.290 nan 0.000 0.519 119 H N 0.105 119.206 119.070 0.052 0.000 2.395 119 H HA -0.000 4.556 4.556 0.000 0.000 0.299 119 H C 2.706 178.065 175.328 0.051 0.000 1.070 119 H CA 1.297 57.381 56.048 0.060 0.000 1.356 119 H CB 0.203 30.027 29.762 0.104 0.000 1.401 119 H HN 0.487 nan 8.280 nan 0.000 0.524 120 R N 1.569 122.192 120.500 0.205 0.000 2.066 120 R HA -0.138 4.202 4.340 0.000 0.000 0.232 120 R C 2.139 178.475 176.300 0.059 0.000 1.131 120 R CA 1.570 57.752 56.100 0.136 0.000 0.955 120 R CB -0.036 30.337 30.300 0.121 0.000 0.851 120 R HN 0.331 nan 8.270 nan 0.000 0.432 121 Q N -0.149 119.678 119.800 0.045 0.000 2.124 121 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 121 Q C 2.121 178.128 176.000 0.012 0.000 0.977 121 Q CA 1.617 57.430 55.803 0.017 0.000 0.850 121 Q CB -0.164 28.584 28.738 0.016 0.000 0.901 121 Q HN 0.521 nan 8.270 nan 0.000 0.429 122 A N -0.048 122.783 122.820 0.019 0.000 2.125 122 A HA 0.070 4.391 4.320 0.000 0.000 0.219 122 A C 1.641 179.207 177.584 -0.030 0.000 1.156 122 A CA 1.403 53.431 52.037 -0.014 0.000 0.671 122 A CB -0.263 18.711 19.000 -0.043 0.000 0.794 122 A HN 0.521 nan 8.150 nan 0.000 0.459 123 G N -2.661 106.129 108.800 -0.016 0.000 2.370 123 G HA2 -0.106 3.854 3.960 0.000 0.000 0.174 123 G HA3 -0.106 3.854 3.960 0.000 0.000 0.174 123 G C 0.201 175.088 174.900 -0.021 0.000 1.002 123 G CA -0.072 45.015 45.100 -0.021 0.000 0.730 123 G HN 0.263 nan 8.290 nan 0.000 0.497 124 M N 1.800 121.384 119.600 -0.026 0.000 3.011 124 M HA 0.479 4.959 4.480 0.000 0.000 0.292 124 M C -0.063 176.363 176.300 0.210 0.000 1.440 124 M CA 0.534 55.803 55.300 -0.052 0.000 1.552 124 M CB 0.224 32.674 32.600 -0.250 0.000 1.187 124 M HN 0.327 nan 8.290 nan 0.000 0.520 125 E N 1.077 121.379 120.200 0.171 0.000 2.354 125 E HA 0.683 5.033 4.350 0.000 0.000 0.283 125 E C -1.416 175.055 176.600 -0.214 0.000 0.938 125 E CA -0.481 55.943 56.400 0.040 0.000 0.777 125 E CB 2.287 31.999 29.700 0.021 0.000 1.222 125 E HN 0.618 nan 8.360 nan 0.000 0.423 126 G N 2.094 110.426 108.800 -0.780 0.000 2.921 126 G HA2 0.446 4.406 3.960 0.000 0.000 0.291 126 G HA3 0.446 4.406 3.960 0.000 0.000 0.291 126 G C -1.278 173.227 174.900 -0.658 0.000 1.370 126 G CA -0.633 43.989 45.100 -0.796 0.000 0.847 126 G HN 0.445 nan 8.290 nan 0.000 0.532 127 N N -0.398 118.172 118.700 -0.216 0.000 2.284 127 N HA 0.487 5.227 4.740 0.000 0.000 0.300 127 N C -1.070 174.561 175.510 0.201 0.000 1.047 127 N CA -0.380 52.685 53.050 0.025 0.000 0.821 127 N CB 2.494 40.986 38.487 0.009 0.000 1.337 127 N HN 0.308 nan 8.380 nan 0.000 0.482 128 I N 1.710 122.436 120.570 0.260 0.000 2.312 128 I HA 0.176 4.346 4.170 0.000 0.000 0.290 128 I C 0.270 176.524 176.117 0.228 0.000 1.008 128 I CA -0.381 61.047 61.300 0.214 0.000 1.226 128 I CB 0.971 39.130 38.000 0.265 0.000 1.371 128 I HN 0.153 nan 8.210 nan 0.000 0.468 129 Q N 5.537 125.409 119.800 0.119 0.000 2.360 129 Q HA 0.369 4.709 4.340 0.000 0.000 0.254 129 Q C -0.956 175.109 176.000 0.108 0.000 0.975 129 Q CA -0.579 55.284 55.803 0.101 0.000 0.912 129 Q CB 2.055 30.807 28.738 0.023 0.000 1.212 129 Q HN 0.451 nan 8.270 nan 0.000 0.452 130 V N 5.568 125.614 119.914 0.220 0.000 2.353 130 V HA 0.247 4.367 4.120 0.000 0.000 0.264 130 V C 0.111 176.260 176.094 0.092 0.000 1.049 130 V CA -0.331 62.079 62.300 0.184 0.000 0.896 130 V CB 0.165 32.204 31.823 0.359 0.000 1.025 130 V HN 0.637 nan 8.190 nan 0.000 0.475 131 L N 7.759 128.948 121.223 -0.056 0.000 2.379 131 L HA 0.549 4.889 4.340 0.000 0.000 0.269 131 L C -2.006 174.911 176.870 0.077 0.000 1.084 131 L CA -1.851 52.956 54.840 -0.054 0.000 0.802 131 L CB 1.808 43.729 42.059 -0.229 0.000 1.175 131 L HN 0.383 nan 8.230 nan 0.000 0.448 132 P HA 0.296 nan 4.420 nan 0.000 0.276 132 P C 0.113 177.535 177.300 0.204 0.000 1.252 132 P CA 0.260 63.444 63.100 0.141 0.000 0.802 132 P CB 1.220 32.979 31.700 0.097 0.000 1.035 133 G N 1.115 110.004 108.800 0.148 0.000 2.632 133 G HA2 -0.171 3.789 3.960 0.000 0.000 0.224 133 G HA3 -0.171 3.789 3.960 0.000 0.000 0.224 133 G C -0.866 174.076 174.900 0.069 0.000 1.341 133 G CA -0.594 44.569 45.100 0.104 0.000 0.880 133 G HN 0.694 nan 8.290 nan 0.000 0.566 134 N N -0.000 118.654 118.700 -0.075 0.000 2.430 134 N HA 0.505 5.245 4.740 0.000 0.000 0.298 134 N C 0.443 175.597 175.510 -0.595 0.000 1.130 134 N CA -0.718 52.196 53.050 -0.227 0.000 0.894 134 N CB 1.663 40.083 38.487 -0.112 0.000 1.209 134 N HN 0.779 nan 8.380 nan 0.000 0.503 135 R N 0.697 120.782 120.500 -0.691 0.000 2.538 135 R HA 0.178 4.518 4.340 0.000 0.000 0.282 135 R C 0.197 176.353 176.300 -0.239 0.000 1.009 135 R CA -0.205 55.534 56.100 -0.601 0.000 1.063 135 R CB 0.178 30.368 30.300 -0.183 0.000 0.945 135 R HN 0.681 nan 8.270 nan 0.000 0.414 136 A N 3.771 126.510 122.820 -0.135 0.000 2.547 136 A HA -0.016 4.304 4.320 0.000 0.000 0.233 136 A C 0.032 177.604 177.584 -0.019 0.000 1.067 136 A CA -0.069 51.944 52.037 -0.039 0.000 0.763 136 A CB 0.164 19.170 19.000 0.010 0.000 1.007 136 A HN 0.748 nan 8.150 nan 0.000 0.506 137 E N 0.496 120.691 120.200 -0.008 0.000 2.408 137 E HA 0.169 4.520 4.350 0.000 0.000 0.259 137 E C 0.268 176.864 176.600 -0.007 0.000 1.110 137 E CA 0.093 56.489 56.400 -0.006 0.000 0.929 137 E CB 0.310 30.006 29.700 -0.006 0.000 0.971 137 E HN 0.562 nan 8.360 nan 0.000 0.438 138 M N 2.395 121.986 119.600 -0.016 0.000 2.239 138 M HA 0.058 4.538 4.480 0.000 0.000 0.348 138 M C 0.419 176.712 176.300 -0.012 0.000 1.239 138 M CA 0.787 56.077 55.300 -0.016 0.000 1.114 138 M CB 0.183 32.766 32.600 -0.029 0.000 1.641 138 M HN 0.228 nan 8.290 nan 0.000 0.453 139 K N 0.975 121.373 120.400 -0.005 0.000 2.512 139 K HA 0.868 5.189 4.320 0.000 0.000 0.263 139 K C -1.162 175.439 176.600 0.003 0.000 0.966 139 K CA -0.893 55.394 56.287 0.000 0.000 0.851 139 K CB 2.149 34.653 32.500 0.006 0.000 1.395 139 K HN 0.762 nan 8.250 nan 0.000 0.440 140 S N -0.747 114.956 115.700 0.006 0.000 2.643 140 S HA 0.204 4.674 4.470 0.000 0.000 0.266 140 S C -0.258 174.350 174.600 0.013 0.000 1.130 140 S CA -0.358 57.848 58.200 0.010 0.000 0.817 140 S CB 0.726 63.933 63.200 0.012 0.000 1.107 140 S HN 0.860 nan 8.310 nan 0.000 0.471 141 S N -0.424 115.285 115.700 0.016 0.000 2.671 141 S HA 0.450 4.920 4.470 0.000 0.000 0.220 141 S C 0.821 175.433 174.600 0.020 0.000 0.951 141 S CA -0.096 58.114 58.200 0.016 0.000 0.932 141 S CB -0.712 62.498 63.200 0.016 0.000 0.777 141 S HN 1.294 nan 8.310 nan 0.000 0.508 142 G N 0.651 109.466 108.800 0.024 0.000 2.412 142 G HA2 0.652 4.613 3.960 0.000 0.000 0.318 142 G HA3 0.652 4.613 3.960 0.000 0.000 0.318 142 G C -0.092 174.816 174.900 0.012 0.000 1.146 142 G CA -0.627 44.492 45.100 0.031 0.000 0.882 142 G HN 0.533 nan 8.290 nan 0.000 0.501 143 A N 0.846 123.668 122.820 0.004 0.000 2.425 143 A HA 0.394 4.714 4.320 0.000 0.000 0.242 143 A C 0.332 177.889 177.584 -0.044 0.000 1.077 143 A CA -0.187 51.840 52.037 -0.017 0.000 0.781 143 A CB 0.353 19.339 19.000 -0.023 0.000 1.020 143 A HN 0.624 nan 8.150 nan 0.000 0.494 144 D N 0.978 121.358 120.400 -0.034 0.000 2.338 144 D HA 0.240 4.880 4.640 0.000 0.000 0.255 144 D C 0.507 176.759 176.300 -0.079 0.000 1.237 144 D CA -0.253 53.724 54.000 -0.038 0.000 0.883 144 D CB 0.211 41.022 40.800 0.019 0.000 1.087 144 D HN 0.340 nan 8.370 nan 0.000 0.485 145 I N 0.843 121.303 120.570 -0.183 0.000 3.904 145 I HA 0.193 4.363 4.170 0.000 0.000 0.333 145 I C 0.588 176.594 176.117 -0.185 0.000 1.361 145 I CA -0.674 60.473 61.300 -0.255 0.000 1.116 145 I CB -0.778 36.886 38.000 -0.560 0.000 1.028 145 I HN 0.183 nan 8.210 nan 0.000 0.398 146 T N -0.555 113.952 114.554 -0.078 0.000 2.869 146 T HA 0.431 4.781 4.350 0.000 0.000 0.295 146 T C 0.173 174.850 174.700 -0.038 0.000 0.987 146 T CA -0.577 61.515 62.100 -0.013 0.000 1.109 146 T CB 1.226 70.164 68.868 0.117 0.000 0.932 146 T HN 0.387 nan 8.240 nan 0.000 0.518 147 R N 2.574 123.034 120.500 -0.066 0.000 2.296 147 R HA 0.139 4.479 4.340 0.000 0.000 0.323 147 R C -0.033 176.185 176.300 -0.137 0.000 1.067 147 R CA -0.408 55.633 56.100 -0.098 0.000 0.946 147 R CB 0.094 30.317 30.300 -0.128 0.000 0.991 147 R HN 0.742 nan 8.270 nan 0.000 0.448 148 D N 6.278 126.508 120.400 -0.283 0.000 2.487 148 D HA -0.023 4.617 4.640 0.000 0.000 0.243 148 D C -1.408 174.899 176.300 0.013 0.000 1.154 148 D CA -1.679 52.156 54.000 -0.275 0.000 0.876 148 D CB 1.333 41.933 40.800 -0.334 0.000 1.161 148 D HN 0.407 nan 8.370 nan 0.000 0.478 149 P HA -0.121 nan 4.420 nan 0.000 0.221 149 P C 0.685 178.196 177.300 0.351 0.000 1.145 149 P CA 0.793 64.036 63.100 0.239 0.000 0.795 149 P CB 0.149 31.986 31.700 0.229 0.000 0.775 150 A N -0.354 122.634 122.820 0.281 0.000 2.238 150 A HA -0.021 4.299 4.320 0.000 0.000 0.208 150 A C 1.110 178.736 177.584 0.070 0.000 1.177 150 A CA 0.292 52.421 52.037 0.153 0.000 0.804 150 A CB -0.983 18.106 19.000 0.149 0.000 0.823 150 A HN 0.021 nan 8.150 nan 0.000 0.482 151 D N 1.221 121.683 120.400 0.103 0.000 2.558 151 D HA 0.379 5.019 4.640 0.000 0.000 0.221 151 D C -0.238 176.130 176.300 0.113 0.000 1.143 151 D CA 0.043 54.095 54.000 0.086 0.000 1.010 151 D CB -0.664 40.177 40.800 0.068 0.000 1.068 151 D HN 0.466 nan 8.370 nan 0.000 0.511 152 L N -0.042 121.161 121.223 -0.034 0.000 2.466 152 L HA 0.782 5.122 4.340 0.000 0.000 0.258 152 L C -2.705 174.048 176.870 -0.194 0.000 0.973 152 L CA -1.835 52.880 54.840 -0.209 0.000 0.826 152 L CB 1.754 43.378 42.059 -0.726 0.000 1.372 152 L HN -0.165 nan 8.230 nan 0.000 0.409 153 P HA 0.287 nan 4.420 nan 0.000 0.272 153 P C -0.033 177.177 177.300 -0.149 0.000 1.223 153 P CA 0.020 63.063 63.100 -0.095 0.000 0.784 153 P CB 1.148 32.835 31.700 -0.022 0.000 0.923 154 G N 1.724 110.466 108.800 -0.097 0.000 2.525 154 G HA2 0.420 4.381 3.960 0.000 0.000 0.287 154 G HA3 0.420 4.381 3.960 0.000 0.000 0.287 154 G C -2.547 172.322 174.900 -0.051 0.000 1.350 154 G CA -1.477 43.570 45.100 -0.088 0.000 1.039 154 G HN 0.336 nan 8.290 nan 0.000 0.513 155 P HA 0.037 nan 4.420 nan 0.000 0.263 155 P C 0.050 177.342 177.300 -0.013 0.000 1.175 155 P CA 0.338 63.434 63.100 -0.007 0.000 0.761 155 P CB 0.387 32.083 31.700 -0.007 0.000 0.794 156 I N 1.920 122.486 120.570 -0.008 0.000 2.754 156 I HA 0.092 4.262 4.170 0.000 0.000 0.285 156 I C 1.688 177.798 176.117 -0.013 0.000 1.166 156 I CA 0.197 61.489 61.300 -0.014 0.000 1.417 156 I CB 0.247 38.239 38.000 -0.014 0.000 1.382 156 I HN 0.412 nan 8.210 nan 0.000 0.588 157 G N 5.530 114.320 108.800 -0.017 0.000 2.583 157 G HA2 0.242 4.202 3.960 0.000 0.000 0.275 157 G HA3 0.242 4.202 3.960 0.000 0.000 0.275 157 G C -2.349 172.544 174.900 -0.012 0.000 1.342 157 G CA -0.727 44.365 45.100 -0.014 0.000 1.030 157 G HN 0.484 nan 8.290 nan 0.000 0.520 158 P HA 0.282 nan 4.420 nan 0.000 0.270 158 P C -0.552 176.741 177.300 -0.013 0.000 1.242 158 P CA 0.319 63.413 63.100 -0.009 0.000 0.768 158 P CB 0.776 32.471 31.700 -0.007 0.000 0.820 159 R N 1.396 121.887 120.500 -0.015 0.000 2.707 159 R HA 0.330 4.670 4.340 0.000 0.000 0.272 159 R C -0.285 176.004 176.300 -0.019 0.000 1.011 159 R CA -0.933 55.155 56.100 -0.019 0.000 0.893 159 R CB 1.601 31.886 30.300 -0.025 0.000 1.233 159 R HN 0.308 nan 8.270 nan 0.000 0.464 160 Q N 0.973 120.761 119.800 -0.021 0.000 2.443 160 Q HA 0.427 4.767 4.340 0.000 0.000 0.232 160 Q C -0.745 175.237 176.000 -0.030 0.000 1.026 160 Q CA 0.124 55.913 55.803 -0.022 0.000 0.924 160 Q CB 1.039 29.764 28.738 -0.022 0.000 1.256 160 Q HN 0.690 nan 8.270 nan 0.000 0.519 161 A N 2.525 125.326 122.820 -0.032 0.000 2.498 161 A HA 0.436 4.756 4.320 0.000 0.000 0.239 161 A C -0.349 177.204 177.584 -0.052 0.000 1.068 161 A CA 0.230 52.242 52.037 -0.043 0.000 0.766 161 A CB -0.115 18.860 19.000 -0.042 0.000 1.003 161 A HN 0.682 nan 8.150 nan 0.000 0.497 162 K N 0.404 120.764 120.400 -0.066 0.000 2.469 162 K HA 0.631 4.951 4.320 0.000 0.000 0.268 162 K C -0.974 175.569 176.600 -0.095 0.000 1.027 162 K CA -0.781 55.464 56.287 -0.071 0.000 0.893 162 K CB 0.936 33.400 32.500 -0.061 0.000 1.460 162 K HN 0.335 nan 8.250 nan 0.000 0.449 163 T N 1.170 115.668 114.554 -0.093 0.000 2.832 163 T HA 0.326 4.676 4.350 0.000 0.000 0.296 163 T C -0.710 173.922 174.700 -0.113 0.000 0.968 163 T CA -0.410 61.621 62.100 -0.115 0.000 1.107 163 T CB 0.690 69.500 68.868 -0.097 0.000 0.916 163 T HN 0.309 nan 8.240 nan 0.000 0.517 164 V N 4.345 124.170 119.914 -0.148 0.000 2.577 164 V HA 0.458 4.578 4.120 0.000 0.000 0.303 164 V C 0.106 176.115 176.094 -0.141 0.000 1.042 164 V CA -1.005 61.213 62.300 -0.138 0.000 0.872 164 V CB 1.964 33.693 31.823 -0.156 0.000 0.998 164 V HN 0.709 nan 8.190 nan 0.000 0.423 165 R N 4.873 125.316 120.500 -0.095 0.000 2.254 165 R HA 0.626 4.967 4.340 0.000 0.000 0.318 165 R C -1.289 174.972 176.300 -0.065 0.000 1.031 165 R CA -0.324 55.740 56.100 -0.059 0.000 0.905 165 R CB 0.747 31.016 30.300 -0.052 0.000 1.050 165 R HN 0.681 nan 8.270 nan 0.000 0.456 166 I N 3.674 124.216 120.570 -0.046 0.000 2.433 166 I HA 0.233 4.403 4.170 0.000 0.000 0.292 166 I C -0.448 175.692 176.117 0.038 0.000 1.001 166 I CA -0.663 60.614 61.300 -0.039 0.000 1.119 166 I CB 2.149 40.085 38.000 -0.107 0.000 1.289 166 I HN 0.422 nan 8.210 nan 0.000 0.438 167 D N 7.825 128.243 120.400 0.030 0.000 2.344 167 D HA 0.521 5.161 4.640 0.000 0.000 0.239 167 D C -0.745 175.604 176.300 0.082 0.000 1.064 167 D CA -0.241 53.800 54.000 0.068 0.000 0.829 167 D CB 2.424 43.238 40.800 0.023 0.000 1.129 167 D HN 0.235 nan 8.370 nan 0.000 0.506 168 L N 1.671 122.967 121.223 0.122 0.000 2.346 168 L HA 0.426 4.766 4.340 0.000 0.000 0.274 168 L C 0.095 177.084 176.870 0.199 0.000 1.007 168 L CA -0.710 54.229 54.840 0.165 0.000 0.818 168 L CB 2.471 44.632 42.059 0.171 0.000 1.284 168 L HN 0.239 nan 8.230 nan 0.000 0.424 169 E N 1.321 121.649 120.200 0.213 0.000 2.191 169 E HA 0.288 4.638 4.350 0.000 0.000 0.263 169 E C -0.895 175.800 176.600 0.160 0.000 0.881 169 E CA -0.635 55.872 56.400 0.178 0.000 0.757 169 E CB 1.593 31.379 29.700 0.144 0.000 1.147 169 E HN 0.605 nan 8.360 nan 0.000 0.414 170 T N 1.136 115.740 114.554 0.084 0.000 2.737 170 T HA 0.345 4.695 4.350 0.000 0.000 0.296 170 T C -0.067 174.552 174.700 -0.135 0.000 0.922 170 T CA -0.747 61.265 62.100 -0.145 0.000 1.079 170 T CB 0.872 69.563 68.868 -0.294 0.000 0.892 170 T HN 0.206 nan 8.240 nan 0.000 0.514 171 V N 2.446 122.263 119.914 -0.162 0.000 2.487 171 V HA 0.562 4.682 4.120 0.000 0.000 0.298 171 V C -0.621 175.400 176.094 -0.122 0.000 1.028 171 V CA -0.857 61.366 62.300 -0.128 0.000 0.860 171 V CB 1.610 33.366 31.823 -0.113 0.000 0.991 171 V HN 0.966 nan 8.190 nan 0.000 0.427 172 E N 4.515 124.653 120.200 -0.103 0.000 2.200 172 E HA 0.624 4.974 4.350 0.000 0.000 0.283 172 E C -0.988 175.631 176.600 0.032 0.000 1.015 172 E CA -0.352 56.059 56.400 0.017 0.000 0.819 172 E CB 2.181 31.846 29.700 -0.059 0.000 1.081 172 E HN 0.645 nan 8.360 nan 0.000 0.397 173 V N 3.299 123.280 119.914 0.111 0.000 2.932 173 V HA 0.211 4.331 4.120 0.000 0.000 0.307 173 V C -1.169 175.000 176.094 0.126 0.000 1.147 173 V CA -0.942 61.399 62.300 0.067 0.000 0.951 173 V CB 2.072 33.904 31.823 0.016 0.000 1.031 173 V HN 0.637 nan 8.190 nan 0.000 0.426 174 K N 4.324 124.773 120.400 0.081 0.000 2.363 174 K HA 0.540 4.860 4.320 0.000 0.000 0.289 174 K C 0.078 176.755 176.600 0.129 0.000 1.063 174 K CA 0.472 56.818 56.287 0.098 0.000 0.967 174 K CB 0.317 32.846 32.500 0.048 0.000 0.987 174 K HN 0.939 nan 8.250 nan 0.000 0.473 175 G N 2.716 111.682 108.800 0.277 0.000 2.489 175 G HA2 0.152 4.112 3.960 0.000 0.000 0.327 175 G HA3 0.152 4.112 3.960 0.000 0.000 0.327 175 G C -1.330 173.694 174.900 0.207 0.000 1.189 175 G CA -0.656 44.534 45.100 0.150 0.000 0.962 175 G HN 0.689 nan 8.290 nan 0.000 0.486 176 Q N 0.104 119.941 119.800 0.061 0.000 2.293 176 Q HA 0.220 4.560 4.340 0.000 0.000 0.263 176 Q C 0.473 176.540 176.000 0.111 0.000 1.002 176 Q CA -0.543 55.301 55.803 0.069 0.000 0.910 176 Q CB 1.086 29.828 28.738 0.007 0.000 1.185 176 Q HN 0.428 nan 8.270 nan 0.000 0.401 177 L N 4.043 125.334 121.223 0.113 0.000 2.253 177 L HA 0.366 4.706 4.340 0.000 0.000 0.205 177 L C -0.316 176.519 176.870 -0.059 0.000 1.078 177 L CA 1.470 56.318 54.840 0.014 0.000 0.805 177 L CB 0.466 42.393 42.059 -0.220 0.000 0.963 177 L HN 0.778 nan 8.230 nan 0.000 0.459 178 D N -2.170 118.206 120.400 -0.040 0.000 2.713 178 D HA 0.127 4.767 4.640 0.000 0.000 0.306 178 D C -1.588 174.698 176.300 -0.024 0.000 1.299 178 D CA -0.572 53.415 54.000 -0.022 0.000 0.823 178 D CB 1.107 41.895 40.800 -0.020 0.000 1.353 178 D HN -0.061 nan 8.370 nan 0.000 0.447 179 D N 0.410 120.792 120.400 -0.029 0.000 2.450 179 D HA 0.154 4.794 4.640 0.000 0.000 0.247 179 D C 0.525 176.812 176.300 -0.021 0.000 1.162 179 D CA 0.802 54.788 54.000 -0.023 0.000 0.879 179 D CB 0.110 40.895 40.800 -0.026 0.000 1.163 179 D HN 0.474 nan 8.370 nan 0.000 0.472 180 N N 1.720 120.415 118.700 -0.008 0.000 2.741 180 N HA -0.223 4.517 4.740 0.000 0.000 0.251 180 N C -1.300 174.208 175.510 -0.003 0.000 1.112 180 N CA 1.466 54.515 53.050 -0.002 0.000 0.750 180 N CB -1.184 37.303 38.487 0.001 0.000 1.119 180 N HN 0.501 nan 8.380 nan 0.000 0.561 181 T N -1.631 112.919 114.554 -0.007 0.000 2.921 181 T HA 0.682 5.032 4.350 0.000 0.000 0.297 181 T C -0.274 174.431 174.700 0.008 0.000 1.013 181 T CA 0.323 62.418 62.100 -0.008 0.000 0.990 181 T CB 1.534 70.385 68.868 -0.028 0.000 1.023 181 T HN 0.328 nan 8.240 nan 0.000 0.447 182 T N 1.737 116.309 114.554 0.030 0.000 2.916 182 T HA 0.775 5.125 4.350 0.000 0.000 0.292 182 T C -1.464 173.304 174.700 0.113 0.000 1.064 182 T CA -0.846 61.302 62.100 0.080 0.000 1.011 182 T CB 1.830 70.737 68.868 0.065 0.000 1.152 182 T HN 0.803 nan 8.240 nan 0.000 0.510 183 Y N -0.417 119.863 120.300 -0.033 0.000 2.552 183 Y HA 0.468 5.018 4.550 0.000 0.000 0.337 183 Y C -0.799 175.036 175.900 -0.108 0.000 1.094 183 Y CA -0.676 57.313 58.100 -0.186 0.000 1.028 183 Y CB 2.002 40.174 38.460 -0.480 0.000 1.321 183 Y HN 0.875 nan 8.280 nan 0.000 0.456 184 T N 5.792 119.939 114.554 -0.679 0.000 2.776 184 T HA 0.225 4.575 4.350 0.000 0.000 0.292 184 T C -0.920 173.522 174.700 -0.430 0.000 0.921 184 T CA 0.266 62.143 62.100 -0.372 0.000 1.038 184 T CB -0.858 67.848 68.868 -0.271 0.000 0.910 184 T HN 0.331 nan 8.240 nan 0.000 0.536 185 Y N 1.778 122.046 120.300 -0.053 0.000 2.301 185 Y HA 0.392 4.942 4.550 0.000 0.000 0.325 185 Y C 0.029 176.044 175.900 0.191 0.000 1.203 185 Y CA -0.812 57.311 58.100 0.038 0.000 1.255 185 Y CB 0.884 39.385 38.460 0.069 0.000 1.232 185 Y HN 0.530 nan 8.280 nan 0.000 0.501 186 W N 1.879 123.217 121.300 0.063 0.000 2.529 186 W HA 0.562 5.222 4.660 0.000 0.000 0.321 186 W C -0.500 175.932 176.519 -0.144 0.000 1.047 186 W CA -1.503 55.788 57.345 -0.089 0.000 1.216 186 W CB 1.356 30.755 29.460 -0.101 0.000 1.357 186 W HN 0.457 nan 8.180 nan 0.000 0.489 187 T N -0.780 113.742 114.554 -0.054 0.000 2.883 187 T HA 0.680 5.030 4.350 0.000 0.000 0.301 187 T C -1.235 173.311 174.700 -0.257 0.000 1.158 187 T CA -0.734 61.300 62.100 -0.110 0.000 1.007 187 T CB 1.499 70.356 68.868 -0.019 0.000 1.186 187 T HN -0.014 nan 8.240 nan 0.000 0.499 188 F N 2.158 122.130 119.950 0.036 0.000 2.390 188 F HA 0.416 4.943 4.527 0.000 0.000 0.361 188 F C 0.954 176.793 175.800 0.065 0.000 1.124 188 F CA -0.393 57.653 58.000 0.076 0.000 1.149 188 F CB 0.147 39.255 39.000 0.180 0.000 1.160 188 F HN 0.822 nan 8.300 nan 0.000 0.501 189 N N 1.597 120.417 118.700 0.199 0.000 2.776 189 N HA -0.181 4.560 4.740 0.000 0.000 0.250 189 N C 0.916 176.472 175.510 0.077 0.000 1.112 189 N CA 0.981 54.113 53.050 0.136 0.000 0.733 189 N CB -1.326 37.257 38.487 0.161 0.000 1.097 189 N HN 1.092 nan 8.380 nan 0.000 0.558 190 G N -1.657 107.166 108.800 0.039 0.000 2.159 190 G HA2 -0.366 3.594 3.960 0.000 0.000 0.256 190 G HA3 -0.366 3.594 3.960 0.000 0.000 0.256 190 G C -0.007 174.876 174.900 -0.028 0.000 0.977 190 G CA 0.977 46.074 45.100 -0.005 0.000 0.652 190 G HN 0.558 nan 8.290 nan 0.000 0.531 191 K N -1.205 119.190 120.400 -0.009 0.000 2.466 191 K HA 0.748 5.068 4.320 0.000 0.000 0.260 191 K C -1.039 175.523 176.600 -0.064 0.000 1.011 191 K CA -0.943 55.313 56.287 -0.052 0.000 0.871 191 K CB 2.955 35.441 32.500 -0.024 0.000 1.404 191 K HN 0.118 nan 8.250 nan 0.000 0.450 192 V N 2.661 122.503 119.914 -0.121 0.000 2.577 192 V HA 0.322 4.442 4.120 0.000 0.000 0.303 192 V C -2.306 173.700 176.094 -0.147 0.000 1.042 192 V CA -1.959 60.235 62.300 -0.177 0.000 0.872 192 V CB 1.605 33.320 31.823 -0.180 0.000 0.998 192 V HN 0.682 nan 8.190 nan 0.000 0.423 193 P HA 0.159 nan 4.420 nan 0.000 0.271 193 P C 0.428 177.709 177.300 -0.031 0.000 1.244 193 P CA 0.221 63.199 63.100 -0.205 0.000 0.793 193 P CB 0.701 32.292 31.700 -0.181 0.000 0.984 194 G N 0.272 109.128 108.800 0.093 0.000 2.631 194 G HA2 0.274 4.234 3.960 0.000 0.000 0.271 194 G HA3 0.274 4.234 3.960 0.000 0.000 0.271 194 G C -2.440 172.692 174.900 0.387 0.000 1.302 194 G CA -1.074 44.199 45.100 0.287 0.000 1.002 194 G HN 0.351 nan 8.290 nan 0.000 0.519 195 P HA 0.068 nan 4.420 nan 0.000 0.265 195 P C -0.548 176.959 177.300 0.346 0.000 1.193 195 P CA 0.002 63.304 63.100 0.337 0.000 0.765 195 P CB 0.366 32.194 31.700 0.213 0.000 0.823 196 F N 4.418 124.391 119.950 0.038 0.000 2.506 196 F HA 0.200 4.727 4.527 0.000 0.000 0.371 196 F C -0.220 175.487 175.800 -0.156 0.000 1.078 196 F CA -0.005 57.797 58.000 -0.329 0.000 1.195 196 F CB 0.056 38.583 39.000 -0.788 0.000 1.099 196 F HN 0.090 nan 8.300 nan 0.000 0.548 197 L N 6.910 127.977 121.223 -0.261 0.000 2.322 197 L HA 0.582 4.922 4.340 0.000 0.000 0.279 197 L C -0.286 176.441 176.870 -0.238 0.000 1.036 197 L CA -0.894 53.849 54.840 -0.162 0.000 0.807 197 L CB 1.733 43.690 42.059 -0.169 0.000 1.226 197 L HN 0.567 nan 8.230 nan 0.000 0.433 198 R N 2.458 122.908 120.500 -0.084 0.000 2.531 198 R HA 0.615 4.955 4.340 0.000 0.000 0.293 198 R C -1.327 174.937 176.300 -0.059 0.000 1.124 198 R CA -0.412 55.665 56.100 -0.037 0.000 0.945 198 R CB 1.745 32.102 30.300 0.096 0.000 1.195 198 R HN 0.549 nan 8.270 nan 0.000 0.433 199 V N -0.010 119.860 119.914 -0.073 0.000 3.145 199 V HA 0.713 4.833 4.120 0.000 0.000 0.311 199 V C -0.891 175.176 176.094 -0.044 0.000 1.238 199 V CA -1.186 61.067 62.300 -0.079 0.000 1.066 199 V CB 1.955 33.701 31.823 -0.128 0.000 1.144 199 V HN 0.702 nan 8.190 nan 0.000 0.465 200 R N 0.514 120.986 120.500 -0.047 0.000 2.664 200 R HA 0.680 5.021 4.340 0.000 0.000 0.286 200 R C -0.805 175.482 176.300 -0.022 0.000 0.967 200 R CA -0.480 55.605 56.100 -0.025 0.000 0.933 200 R CB 2.018 32.300 30.300 -0.031 0.000 1.146 200 R HN 0.924 nan 8.270 nan 0.000 0.468 201 V N 1.770 121.686 119.914 0.003 0.000 2.814 201 V HA 0.164 4.284 4.120 0.000 0.000 0.307 201 V C 1.391 177.476 176.094 -0.015 0.000 1.089 201 V CA 0.792 63.097 62.300 0.008 0.000 1.212 201 V CB 0.386 32.223 31.823 0.024 0.000 0.912 201 V HN 1.132 nan 8.190 nan 0.000 0.497 202 G N 2.203 110.989 108.800 -0.024 0.000 2.241 202 G HA2 -0.221 3.740 3.960 0.000 0.000 0.244 202 G HA3 -0.221 3.740 3.960 0.000 0.000 0.244 202 G C -0.037 174.823 174.900 -0.066 0.000 0.998 202 G CA 0.183 45.261 45.100 -0.037 0.000 0.621 202 G HN 0.821 nan 8.290 nan 0.000 0.519 203 D N 1.484 121.834 120.400 -0.084 0.000 2.449 203 D HA 0.438 5.078 4.640 0.000 0.000 0.236 203 D C 0.557 176.749 176.300 -0.180 0.000 1.149 203 D CA 0.938 54.861 54.000 -0.127 0.000 0.878 203 D CB 0.781 41.496 40.800 -0.142 0.000 1.198 203 D HN 0.137 nan 8.370 nan 0.000 0.446 204 T N 1.458 115.892 114.554 -0.199 0.000 2.749 204 T HA 0.382 4.732 4.350 0.000 0.000 0.287 204 T C -0.071 174.411 174.700 -0.364 0.000 0.970 204 T CA -0.642 61.302 62.100 -0.260 0.000 0.980 204 T CB 1.025 69.782 68.868 -0.185 0.000 0.924 204 T HN -0.037 nan 8.240 nan 0.000 0.456 205 V N 3.805 123.345 119.914 -0.622 0.000 2.370 205 V HA 0.356 4.477 4.120 0.000 0.000 0.283 205 V C 0.337 176.053 176.094 -0.630 0.000 1.023 205 V CA -0.737 61.113 62.300 -0.751 0.000 0.857 205 V CB 1.455 32.502 31.823 -1.294 0.000 0.985 205 V HN 0.846 nan 8.190 nan 0.000 0.443 206 E N 4.260 124.251 120.200 -0.349 0.000 2.063 206 E HA 0.408 4.758 4.350 0.000 0.000 0.265 206 E C -1.156 175.384 176.600 -0.101 0.000 0.919 206 E CA -0.642 55.636 56.400 -0.203 0.000 0.756 206 E CB 1.320 30.971 29.700 -0.082 0.000 1.120 206 E HN 0.619 nan 8.360 nan 0.000 0.414 207 L N 5.533 126.686 121.223 -0.118 0.000 2.275 207 L HA 0.282 4.622 4.340 0.000 0.000 0.288 207 L C -0.932 175.919 176.870 -0.031 0.000 1.046 207 L CA -0.389 54.455 54.840 0.006 0.000 0.805 207 L CB 0.805 42.940 42.059 0.127 0.000 1.193 207 L HN 0.536 nan 8.230 nan 0.000 0.426 208 H N 6.818 125.903 119.070 0.024 0.000 2.597 208 H HA 0.298 4.854 4.556 0.000 0.000 0.303 208 H C -0.904 174.467 175.328 0.072 0.000 1.057 208 H CA -0.573 55.499 56.048 0.041 0.000 1.261 208 H CB 1.848 31.622 29.762 0.020 0.000 1.397 208 H HN 0.472 nan 8.280 nan 0.000 0.461 209 L N 4.667 125.982 121.223 0.152 0.000 2.294 209 L HA 0.301 4.641 4.340 0.000 0.000 0.283 209 L C -0.486 176.469 176.870 0.142 0.000 1.015 209 L CA -0.586 54.352 54.840 0.163 0.000 0.831 209 L CB 0.665 42.825 42.059 0.168 0.000 1.217 209 L HN 0.462 nan 8.230 nan 0.000 0.420 210 K N 3.355 123.840 120.400 0.141 0.000 2.183 210 K HA 0.259 4.579 4.320 0.000 0.000 0.274 210 K C -0.451 176.217 176.600 0.113 0.000 1.009 210 K CA -0.587 55.765 56.287 0.109 0.000 0.888 210 K CB 1.259 33.814 32.500 0.091 0.000 1.078 210 K HN 0.355 nan 8.250 nan 0.000 0.459 211 N N 2.189 120.945 118.700 0.094 0.000 2.426 211 N HA 0.034 4.774 4.740 0.000 0.000 0.257 211 N C -0.979 174.584 175.510 0.089 0.000 1.002 211 N CA -0.421 52.693 53.050 0.107 0.000 0.942 211 N CB 0.448 39.003 38.487 0.113 0.000 1.112 211 N HN 0.491 nan 8.380 nan 0.000 0.499 212 H N 1.983 121.067 119.070 0.023 0.000 3.064 212 H HA -0.063 4.493 4.556 0.000 0.000 0.329 212 H C 1.473 176.806 175.328 0.007 0.000 1.020 212 H CA 0.929 56.984 56.048 0.012 0.000 1.402 212 H CB 0.966 30.727 29.762 -0.000 0.000 1.379 212 H HN 0.612 nan 8.280 nan 0.000 0.594 213 K N 2.556 122.783 120.400 -0.288 0.000 2.211 213 K HA -0.161 4.159 4.320 0.000 0.000 0.204 213 K C 0.503 177.138 176.600 0.058 0.000 1.047 213 K CA 1.844 58.071 56.287 -0.101 0.000 0.935 213 K CB 0.246 32.648 32.500 -0.164 0.000 0.728 213 K HN 0.537 nan 8.250 nan 0.000 0.452 214 D N 1.216 121.784 120.400 0.280 0.000 2.363 214 D HA 0.028 4.668 4.640 0.000 0.000 0.220 214 D C -0.090 176.266 176.300 0.094 0.000 0.994 214 D CA 0.324 54.441 54.000 0.195 0.000 0.890 214 D CB 0.184 41.116 40.800 0.220 0.000 0.906 214 D HN 0.130 nan 8.370 nan 0.000 0.530 215 S N 0.257 116.011 115.700 0.091 0.000 2.562 215 S HA 0.134 4.605 4.470 0.000 0.000 0.281 215 S C 1.662 176.231 174.600 -0.051 0.000 1.333 215 S CA -0.332 57.871 58.200 0.004 0.000 1.052 215 S CB 1.209 64.441 63.200 0.054 0.000 0.884 215 S HN 0.137 nan 8.310 nan 0.000 0.506 216 L N 1.048 122.198 121.223 -0.122 0.000 2.307 216 L HA 0.106 4.446 4.340 0.000 0.000 0.211 216 L C 0.403 177.151 176.870 -0.204 0.000 1.099 216 L CA 0.663 55.424 54.840 -0.131 0.000 0.816 216 L CB -0.135 41.857 42.059 -0.111 0.000 0.952 216 L HN 0.468 nan 8.230 nan 0.000 0.455 217 M N 0.116 119.497 119.600 -0.365 0.000 2.478 217 M HA 0.267 4.747 4.480 0.000 0.000 0.327 217 M C -0.049 175.940 176.300 -0.518 0.000 1.187 217 M CA -0.739 54.249 55.300 -0.520 0.000 1.022 217 M CB 1.919 33.952 32.600 -0.945 0.000 1.629 217 M HN -0.206 nan 8.290 nan 0.000 0.461 218 V N 2.486 122.167 119.914 -0.389 0.000 2.881 218 V HA 0.335 4.456 4.120 0.000 0.000 0.303 218 V C -0.579 175.194 176.094 -0.535 0.000 1.070 218 V CA 0.130 62.242 62.300 -0.314 0.000 1.074 218 V CB 0.615 32.345 31.823 -0.155 0.000 1.012 218 V HN 0.809 nan 8.190 nan 0.000 0.482 219 H N 3.193 122.234 119.070 -0.049 0.000 2.946 219 H HA 0.791 5.347 4.556 0.000 0.000 0.365 219 H C -0.238 175.085 175.328 -0.008 0.000 1.197 219 H CA 0.113 56.136 56.048 -0.041 0.000 1.131 219 H CB 2.173 31.905 29.762 -0.050 0.000 1.849 219 H HN 1.082 nan 8.280 nan 0.000 0.555 220 S N -0.103 115.699 115.700 0.170 0.000 2.800 220 S HA 0.615 5.086 4.470 0.000 0.000 0.293 220 S C -1.276 173.454 174.600 0.216 0.000 1.209 220 S CA -0.752 57.534 58.200 0.143 0.000 0.884 220 S CB 1.954 65.184 63.200 0.052 0.000 1.244 220 S HN 0.428 nan 8.310 nan 0.000 0.540 221 V N 1.181 121.139 119.914 0.073 0.000 2.817 221 V HA 0.622 4.742 4.120 0.000 0.000 0.303 221 V C -2.325 173.576 176.094 -0.322 0.000 1.151 221 V CA -0.320 61.908 62.300 -0.119 0.000 0.929 221 V CB 1.871 33.478 31.823 -0.360 0.000 1.030 221 V HN 1.105 nan 8.190 nan 0.000 0.427 222 D N 5.860 125.999 120.400 -0.436 0.000 2.425 222 D HA 0.434 5.074 4.640 0.000 0.000 0.240 222 D C -1.098 174.854 176.300 -0.579 0.000 1.080 222 D CA -0.165 53.580 54.000 -0.424 0.000 0.836 222 D CB 1.070 41.671 40.800 -0.332 0.000 1.125 222 D HN 0.271 nan 8.370 nan 0.000 0.525 223 F N 2.428 122.231 119.950 -0.246 0.000 2.410 223 F HA 0.291 4.818 4.527 0.000 0.000 0.349 223 F C 1.847 177.579 175.800 -0.114 0.000 1.117 223 F CA -0.626 57.249 58.000 -0.209 0.000 1.104 223 F CB 1.228 40.002 39.000 -0.377 0.000 1.122 223 F HN 0.490 nan 8.300 nan 0.000 0.483 224 H N 1.816 120.902 119.070 0.026 0.000 2.545 224 H HA -0.052 4.504 4.556 0.000 0.000 0.282 224 H C 1.927 176.993 175.328 -0.437 0.000 1.020 224 H CA 0.431 56.464 56.048 -0.026 0.000 1.243 224 H CB 0.348 30.242 29.762 0.220 0.000 1.377 224 H HN 0.932 nan 8.280 nan 0.000 0.581 225 G N 0.102 108.571 108.800 -0.552 0.000 2.985 225 G HA2 0.252 4.212 3.960 0.000 0.000 0.209 225 G HA3 0.252 4.212 3.960 0.000 0.000 0.209 225 G C 0.411 175.015 174.900 -0.494 0.000 1.165 225 G CA 0.268 44.685 45.100 -1.138 0.000 0.776 225 G HN 0.308 nan 8.290 nan 0.000 0.541 226 A N -0.106 122.483 122.820 -0.384 0.000 2.303 226 A HA 0.702 5.023 4.320 0.000 0.000 0.317 226 A C -0.170 177.275 177.584 -0.231 0.000 1.149 226 A CA -0.255 51.528 52.037 -0.423 0.000 0.822 226 A CB 0.977 19.467 19.000 -0.850 0.000 1.131 226 A HN 0.037 nan 8.150 nan 0.000 0.493 227 T N 1.199 115.668 114.554 -0.142 0.000 2.842 227 T HA 0.691 5.041 4.350 0.000 0.000 0.308 227 T C 0.161 174.832 174.700 -0.048 0.000 1.041 227 T CA 0.401 62.457 62.100 -0.073 0.000 0.964 227 T CB 0.829 69.674 68.868 -0.037 0.000 0.972 227 T HN 1.861 nan 8.240 nan 0.000 0.460 228 G N 4.128 112.912 108.800 -0.026 0.000 2.368 228 G HA2 0.294 4.254 3.960 0.000 0.000 0.302 228 G HA3 0.294 4.254 3.960 0.000 0.000 0.302 228 G C -3.200 171.740 174.900 0.068 0.000 1.329 228 G CA -1.229 43.891 45.100 0.033 0.000 0.935 228 G HN 0.404 nan 8.290 nan 0.000 0.590 229 P HA 0.264 nan 4.420 nan 0.000 0.252 229 P C 1.139 178.504 177.300 0.109 0.000 1.147 229 P CA 2.292 65.464 63.100 0.119 0.000 0.779 229 P CB 0.144 31.934 31.700 0.150 0.000 0.733 230 G N 3.600 112.428 108.800 0.046 0.000 2.203 230 G HA2 -0.192 3.769 3.960 0.000 0.000 0.263 230 G HA3 -0.192 3.769 3.960 0.000 0.000 0.263 230 G C 0.874 175.778 174.900 0.006 0.000 1.012 230 G CA 0.559 45.676 45.100 0.030 0.000 0.749 230 G HN 1.039 nan 8.290 nan 0.000 0.512 231 G N -1.164 107.629 108.800 -0.012 0.000 2.341 231 G HA2 0.292 4.252 3.960 0.000 0.000 0.292 231 G HA3 0.292 4.252 3.960 0.000 0.000 0.292 231 G C 1.166 176.002 174.900 -0.106 0.000 1.021 231 G CA 1.344 46.396 45.100 -0.079 0.000 0.905 231 G HN 2.620 nan 8.290 nan 0.000 0.508 232 A N -3.237 119.580 122.820 -0.005 0.000 3.629 232 A HA 0.193 4.513 4.320 0.000 0.000 0.224 232 A C 2.328 180.027 177.584 0.191 0.000 1.104 232 A CA 1.554 53.654 52.037 0.104 0.000 1.660 232 A CB -1.760 17.244 19.000 0.008 0.000 0.911 232 A HN 2.305 nan 8.150 nan 0.000 0.805 233 A N -0.013 122.855 122.820 0.081 0.000 1.972 233 A HA 0.328 4.648 4.320 0.000 0.000 0.219 233 A C 2.392 180.002 177.584 0.043 0.000 1.169 233 A CA 2.074 54.138 52.037 0.045 0.000 0.635 233 A CB -0.936 18.069 19.000 0.008 0.000 0.810 233 A HN 2.165 nan 8.150 nan 0.000 0.446 234 A N -1.718 121.118 122.820 0.028 0.000 2.125 234 A HA 0.099 4.419 4.320 0.000 0.000 0.219 234 A C 1.496 178.903 177.584 -0.295 0.000 1.156 234 A CA 1.159 53.099 52.037 -0.162 0.000 0.671 234 A CB -0.593 18.240 19.000 -0.278 0.000 0.794 234 A HN 0.502 nan 8.150 nan 0.000 0.459 235 F N -0.862 119.086 119.950 -0.003 0.000 2.678 235 F HA 0.128 4.655 4.527 0.000 0.000 0.305 235 F C 1.622 177.429 175.800 0.012 0.000 1.090 235 F CA 0.970 58.974 58.000 0.006 0.000 1.272 235 F CB 0.585 39.596 39.000 0.017 0.000 1.060 235 F HN 0.208 nan 8.300 nan 0.000 0.576 236 T N -3.715 110.932 114.554 0.156 0.000 3.275 236 T HA 0.143 4.494 4.350 0.000 0.000 0.298 236 T C 0.288 175.032 174.700 0.074 0.000 0.988 236 T CA -0.296 61.877 62.100 0.122 0.000 0.936 236 T CB -0.095 68.853 68.868 0.134 0.000 1.159 236 T HN -0.207 nan 8.240 nan 0.000 0.519 237 Q N 2.714 122.534 119.800 0.033 0.000 2.276 237 Q HA 0.270 4.610 4.340 0.000 0.000 0.267 237 Q C -0.505 175.501 176.000 0.011 0.000 1.135 237 Q CA 0.555 56.359 55.803 0.003 0.000 0.910 237 Q CB 0.355 29.075 28.738 -0.029 0.000 1.271 237 Q HN 0.362 nan 8.270 nan 0.000 0.417 238 T N 2.853 117.421 114.554 0.023 0.000 2.815 238 T HA 0.207 4.557 4.350 0.000 0.000 0.289 238 T C -0.284 174.421 174.700 0.008 0.000 1.000 238 T CA -0.906 61.214 62.100 0.032 0.000 0.958 238 T CB 1.079 69.991 68.868 0.074 0.000 0.944 238 T HN 0.254 nan 8.240 nan 0.000 0.442 239 D N 4.116 124.511 120.400 -0.007 0.000 2.400 239 D HA 0.165 4.805 4.640 0.000 0.000 0.238 239 D C -2.234 174.063 176.300 -0.006 0.000 1.157 239 D CA -1.518 52.468 54.000 -0.023 0.000 0.889 239 D CB 0.441 41.228 40.800 -0.022 0.000 1.199 239 D HN 0.192 nan 8.370 nan 0.000 0.436 240 P HA 0.090 nan 4.420 nan 0.000 0.264 240 P C 0.920 178.214 177.300 -0.009 0.000 1.193 240 P CA 0.569 63.671 63.100 0.003 0.000 0.763 240 P CB 0.567 32.262 31.700 -0.009 0.000 0.810 241 G N 1.280 110.069 108.800 -0.018 0.000 2.234 241 G HA2 -0.202 3.758 3.960 0.000 0.000 0.260 241 G HA3 -0.202 3.758 3.960 0.000 0.000 0.260 241 G C 0.270 175.158 174.900 -0.021 0.000 0.987 241 G CA -0.080 44.994 45.100 -0.043 0.000 0.625 241 G HN 0.504 nan 8.290 nan 0.000 0.532 242 E N 0.402 120.602 120.200 -0.000 0.000 2.330 242 E HA 0.685 5.036 4.350 0.000 0.000 0.256 242 E C 0.149 176.769 176.600 0.032 0.000 1.146 242 E CA -0.535 55.872 56.400 0.012 0.000 0.945 242 E CB 1.163 30.870 29.700 0.012 0.000 1.182 242 E HN 0.538 nan 8.360 nan 0.000 0.480 243 E N -0.310 119.914 120.200 0.040 0.000 2.314 243 E HA 0.407 4.757 4.350 0.000 0.000 0.272 243 E C -1.389 175.243 176.600 0.053 0.000 0.884 243 E CA -0.389 56.048 56.400 0.061 0.000 0.753 243 E CB 2.013 31.760 29.700 0.078 0.000 1.213 243 E HN 0.254 nan 8.360 nan 0.000 0.432 244 T N 2.075 116.664 114.554 0.059 0.000 2.876 244 T HA 0.482 4.832 4.350 0.000 0.000 0.289 244 T C -1.609 173.093 174.700 0.004 0.000 1.014 244 T CA -0.534 61.594 62.100 0.047 0.000 0.986 244 T CB 1.442 70.352 68.868 0.071 0.000 1.021 244 T HN 0.297 nan 8.240 nan 0.000 0.458 245 V N 4.613 124.504 119.914 -0.039 0.000 2.709 245 V HA 0.953 5.074 4.120 0.000 0.000 0.308 245 V C -1.336 174.711 176.094 -0.079 0.000 1.062 245 V CA -0.452 61.749 62.300 -0.165 0.000 0.901 245 V CB 1.738 33.280 31.823 -0.469 0.000 1.003 245 V HN 0.701 nan 8.190 nan 0.000 0.425 246 V N 5.502 125.361 119.914 -0.092 0.000 2.851 246 V HA 0.865 4.985 4.120 0.000 0.000 0.307 246 V C -0.417 175.613 176.094 -0.106 0.000 1.129 246 V CA 0.571 62.821 62.300 -0.082 0.000 0.932 246 V CB 2.533 34.353 31.823 -0.005 0.000 1.024 246 V HN 1.415 nan 8.190 nan 0.000 0.426 247 T N 4.698 119.154 114.554 -0.163 0.000 2.856 247 T HA 0.878 5.228 4.350 0.000 0.000 0.283 247 T C -0.980 173.632 174.700 -0.148 0.000 1.008 247 T CA -0.440 61.538 62.100 -0.205 0.000 0.997 247 T CB 1.371 70.118 68.868 -0.202 0.000 0.992 247 T HN 1.430 nan 8.240 nan 0.000 0.454 248 F N -0.252 119.557 119.950 -0.235 0.000 2.641 248 F HA 0.729 5.256 4.527 0.000 0.000 0.308 248 F C -0.976 174.706 175.800 -0.196 0.000 1.105 248 F CA -1.357 56.506 58.000 -0.228 0.000 0.964 248 F CB 1.368 40.223 39.000 -0.240 0.000 1.294 248 F HN 0.541 nan 8.300 nan 0.000 0.442 249 K N 1.703 122.100 120.400 -0.006 0.000 2.143 249 K HA 0.705 5.025 4.320 0.000 0.000 0.272 249 K C -0.570 176.054 176.600 0.039 0.000 1.001 249 K CA -0.810 55.435 56.287 -0.069 0.000 0.915 249 K CB 1.821 34.293 32.500 -0.048 0.000 1.047 249 K HN 0.841 nan 8.250 nan 0.000 0.458 250 A N 4.337 127.133 122.820 -0.038 0.000 2.650 250 A HA 0.191 4.512 4.320 0.000 0.000 0.320 250 A C 0.872 178.455 177.584 -0.002 0.000 1.466 250 A CA -0.408 51.628 52.037 -0.002 0.000 1.099 250 A CB -0.502 18.474 19.000 -0.040 0.000 1.136 250 A HN 0.788 nan 8.150 nan 0.000 0.532 251 L N 1.829 123.056 121.223 0.006 0.000 2.270 251 L HA 0.181 4.521 4.340 0.000 0.000 0.210 251 L C 0.105 176.998 176.870 0.039 0.000 1.104 251 L CA 0.959 55.807 54.840 0.013 0.000 0.804 251 L CB -0.190 41.874 42.059 0.009 0.000 0.937 251 L HN 0.574 nan 8.230 nan 0.000 0.450 252 I N -0.116 120.495 120.570 0.068 0.000 2.499 252 I HA 0.312 4.482 4.170 0.000 0.000 0.288 252 I C -2.416 173.834 176.117 0.222 0.000 1.048 252 I CA -2.103 59.276 61.300 0.132 0.000 1.062 252 I CB 2.168 40.259 38.000 0.152 0.000 1.238 252 I HN -0.277 nan 8.210 nan 0.000 0.426 253 P HA 0.362 nan 4.420 nan 0.000 0.269 253 P C -0.048 177.339 177.300 0.145 0.000 1.215 253 P CA 0.052 63.244 63.100 0.153 0.000 0.780 253 P CB 0.803 32.557 31.700 0.090 0.000 0.898 254 G N 0.727 109.546 108.800 0.032 0.000 2.321 254 G HA2 0.348 4.308 3.960 0.000 0.000 0.298 254 G HA3 0.348 4.308 3.960 0.000 0.000 0.298 254 G C -2.157 172.469 174.900 -0.456 0.000 1.385 254 G CA -0.558 44.339 45.100 -0.339 0.000 0.856 254 G HN 0.521 nan 8.290 nan 0.000 0.584 255 I N 0.855 121.133 120.570 -0.488 0.000 2.328 255 I HA 0.729 4.899 4.170 0.000 0.000 0.287 255 I C -1.332 174.571 176.117 -0.357 0.000 1.012 255 I CA -1.685 59.452 61.300 -0.273 0.000 1.195 255 I CB 0.161 38.154 38.000 -0.011 0.000 1.350 255 I HN 0.418 nan 8.210 nan 0.000 0.464 256 Y N 5.757 126.057 120.300 -0.000 0.000 2.393 256 Y HA 0.538 5.088 4.550 0.000 0.000 0.341 256 Y C 0.115 175.998 175.900 -0.028 0.000 0.988 256 Y CA -0.972 57.157 58.100 0.050 0.000 1.078 256 Y CB 1.837 40.357 38.460 0.101 0.000 1.203 256 Y HN 0.438 nan 8.280 nan 0.000 0.453 257 V N 4.899 124.849 119.914 0.059 0.000 2.686 257 V HA 0.360 4.480 4.120 0.000 0.000 0.295 257 V C -1.157 174.786 176.094 -0.250 0.000 1.055 257 V CA -0.327 61.878 62.300 -0.159 0.000 1.050 257 V CB 0.241 31.965 31.823 -0.165 0.000 0.984 257 V HN 0.685 nan 8.190 nan 0.000 0.482 258 Y N 4.132 124.319 120.300 -0.189 0.000 2.562 258 Y HA 0.951 5.501 4.550 0.000 0.000 0.343 258 Y C -0.539 175.262 175.900 -0.165 0.000 1.025 258 Y CA -0.896 56.994 58.100 -0.351 0.000 1.082 258 Y CB 1.377 39.574 38.460 -0.437 0.000 1.264 258 Y HN 1.057 nan 8.280 nan 0.000 0.478 259 H N -0.577 118.538 119.070 0.074 0.000 3.014 259 H HA 0.447 5.003 4.556 0.000 0.000 0.337 259 H C -1.317 174.225 175.328 0.356 0.000 1.320 259 H CA -1.598 54.608 56.048 0.264 0.000 1.128 259 H CB 0.570 30.446 29.762 0.189 0.000 1.862 259 H HN 1.126 nan 8.280 nan 0.000 0.536 260 C N 1.254 120.943 119.300 0.648 0.000 2.679 260 C HA 0.601 5.061 4.460 0.000 0.000 0.417 260 C C 1.303 176.506 174.990 0.355 0.000 1.302 260 C CA 0.670 59.952 59.018 0.440 0.000 1.973 260 C CB -1.292 26.650 27.740 0.337 0.000 2.715 260 C HN 0.922 nan 8.230 nan 0.000 0.628 261 A N 4.128 127.044 122.820 0.160 0.000 2.705 261 A HA 0.417 4.738 4.320 0.000 0.000 0.294 261 A C 0.435 178.006 177.584 -0.020 0.000 1.039 261 A CA 0.272 52.383 52.037 0.124 0.000 1.005 261 A CB -0.260 18.795 19.000 0.092 0.000 1.192 261 A HN 1.089 nan 8.150 nan 0.000 0.513 262 T N 0.120 114.553 114.554 -0.202 0.000 2.799 262 T HA 0.574 4.924 4.350 0.000 0.000 0.286 262 T C -3.031 171.529 174.700 -0.235 0.000 0.973 262 T CA -2.169 59.763 62.100 -0.280 0.000 1.035 262 T CB 0.849 69.508 68.868 -0.349 0.000 0.932 262 T HN 0.063 nan 8.240 nan 0.000 0.469 263 P HA 0.156 nan 4.420 nan 0.000 0.268 263 P C -0.504 176.891 177.300 0.158 0.000 1.204 263 P CA -0.173 62.958 63.100 0.051 0.000 0.768 263 P CB 0.507 32.229 31.700 0.037 0.000 0.842 264 S N 2.729 118.596 115.700 0.279 0.000 2.448 264 S HA 0.107 4.577 4.470 0.000 0.000 0.279 264 S C 1.348 176.129 174.600 0.302 0.000 1.195 264 S CA -0.633 57.706 58.200 0.232 0.000 1.051 264 S CB -0.257 63.068 63.200 0.208 0.000 0.948 264 S HN 0.147 nan 8.310 nan 0.000 0.493 265 V N 7.677 127.698 119.914 0.179 0.000 2.343 265 V HA -0.057 4.063 4.120 0.000 0.000 0.247 265 V C -0.652 175.545 176.094 0.172 0.000 1.051 265 V CA 1.556 63.961 62.300 0.176 0.000 1.036 265 V CB -1.563 30.331 31.823 0.119 0.000 0.654 265 V HN 0.700 nan 8.190 nan 0.000 0.451 266 P HA -0.116 nan 4.420 nan 0.000 0.218 266 P C 1.738 179.079 177.300 0.069 0.000 1.148 266 P CA 1.570 64.696 63.100 0.043 0.000 0.822 266 P CB -0.241 31.445 31.700 -0.024 0.000 0.784 267 T N -1.232 113.391 114.554 0.114 0.000 2.737 267 T HA -0.148 4.202 4.350 0.000 0.000 0.265 267 T C 1.713 176.422 174.700 0.015 0.000 1.038 267 T CA 1.184 63.305 62.100 0.034 0.000 1.144 267 T CB -0.913 67.995 68.868 0.067 0.000 0.866 267 T HN 0.316 nan 8.240 nan 0.000 0.434 268 H N 0.364 119.560 119.070 0.210 0.000 2.389 268 H HA 0.066 4.622 4.556 0.000 0.000 0.299 268 H C 2.347 177.828 175.328 0.255 0.000 1.081 268 H CA 1.077 57.352 56.048 0.379 0.000 1.345 268 H CB -0.120 29.917 29.762 0.459 0.000 1.393 268 H HN 0.325 nan 8.280 nan 0.000 0.520 269 I N 0.083 120.847 120.570 0.324 0.000 2.163 269 I HA -0.248 3.922 4.170 0.000 0.000 0.240 269 I C 2.844 179.148 176.117 0.312 0.000 1.081 269 I CA 1.406 62.898 61.300 0.319 0.000 1.353 269 I CB -0.350 37.739 38.000 0.149 0.000 1.054 269 I HN 0.183 nan 8.210 nan 0.000 0.407 270 T N 0.824 115.478 114.554 0.166 0.000 2.759 270 T HA -0.169 4.181 4.350 0.000 0.000 0.269 270 T C 1.628 176.378 174.700 0.084 0.000 1.042 270 T CA 1.782 63.969 62.100 0.144 0.000 1.140 270 T CB -0.291 68.663 68.868 0.144 0.000 0.864 270 T HN 0.247 nan 8.240 nan 0.000 0.455 271 N N 0.534 119.214 118.700 -0.033 0.000 2.453 271 N HA 0.081 4.821 4.740 0.000 0.000 0.183 271 N C 1.430 176.980 175.510 0.067 0.000 1.041 271 N CA 1.147 54.114 53.050 -0.138 0.000 0.900 271 N CB -0.014 38.043 38.487 -0.717 0.000 0.961 271 N HN 0.660 nan 8.380 nan 0.000 0.443 272 G N -0.772 108.102 108.800 0.125 0.000 2.321 272 G HA2 -0.145 3.815 3.960 0.000 0.000 0.174 272 G HA3 -0.145 3.815 3.960 0.000 0.000 0.174 272 G C -0.063 174.680 174.900 -0.261 0.000 1.008 272 G CA -0.478 44.590 45.100 -0.054 0.000 0.739 272 G HN 0.147 nan 8.290 nan 0.000 0.502 273 M N 1.737 121.360 119.600 0.038 0.000 3.176 273 M HA 0.507 4.987 4.480 0.000 0.000 0.284 273 M C -0.322 176.235 176.300 0.429 0.000 1.392 273 M CA -0.322 55.041 55.300 0.104 0.000 1.520 273 M CB -0.551 32.073 32.600 0.039 0.000 1.100 273 M HN 0.394 nan 8.290 nan 0.000 0.555 274 Y N -1.411 119.075 120.300 0.310 0.000 2.581 274 Y HA 0.955 5.505 4.550 0.000 0.000 0.337 274 Y C -0.341 175.442 175.900 -0.195 0.000 1.108 274 Y CA -1.302 56.840 58.100 0.069 0.000 1.033 274 Y CB 1.096 39.574 38.460 0.029 0.000 1.318 274 Y HN 0.352 nan 8.280 nan 0.000 0.459 275 G N 1.025 109.478 108.800 -0.579 0.000 2.619 275 G HA2 0.604 4.564 3.960 0.000 0.000 0.305 275 G HA3 0.604 4.564 3.960 0.000 0.000 0.305 275 G C -2.388 172.154 174.900 -0.597 0.000 1.330 275 G CA -1.266 43.461 45.100 -0.621 0.000 0.789 275 G HN 0.732 nan 8.290 nan 0.000 0.487 276 L N 0.283 121.376 121.223 -0.217 0.000 2.346 276 L HA 0.649 4.990 4.340 0.000 0.000 0.274 276 L C -0.665 175.997 176.870 -0.348 0.000 1.007 276 L CA -0.883 53.799 54.840 -0.264 0.000 0.818 276 L CB 2.208 44.052 42.059 -0.360 0.000 1.284 276 L HN 0.330 nan 8.230 nan 0.000 0.424 277 L N 4.159 125.281 121.223 -0.168 0.000 2.319 277 L HA 0.461 4.801 4.340 0.000 0.000 0.281 277 L C -1.199 175.526 176.870 -0.242 0.000 1.005 277 L CA -0.819 53.910 54.840 -0.185 0.000 0.828 277 L CB 1.851 43.985 42.059 0.125 0.000 1.227 277 L HN 0.459 nan 8.230 nan 0.000 0.415 278 L N 6.288 127.242 121.223 -0.449 0.000 2.265 278 L HA 0.387 4.728 4.340 0.000 0.000 0.288 278 L C -0.738 176.107 176.870 -0.042 0.000 1.058 278 L CA -0.003 54.710 54.840 -0.212 0.000 0.809 278 L CB 1.579 43.498 42.059 -0.234 0.000 1.179 278 L HN 0.332 nan 8.230 nan 0.000 0.429 279 V N 5.764 125.728 119.914 0.084 0.000 2.304 279 V HA 0.286 4.406 4.120 0.000 0.000 0.269 279 V C 0.321 176.455 176.094 0.067 0.000 1.036 279 V CA -0.723 61.634 62.300 0.096 0.000 0.840 279 V CB 0.417 32.364 31.823 0.207 0.000 1.036 279 V HN 0.752 nan 8.190 nan 0.000 0.466 280 E N 6.955 127.176 120.200 0.034 0.000 2.413 280 E HA 0.124 4.474 4.350 0.000 0.000 0.263 280 E C -2.133 174.489 176.600 0.038 0.000 1.015 280 E CA -1.195 55.225 56.400 0.035 0.000 0.916 280 E CB 0.650 30.365 29.700 0.025 0.000 0.947 280 E HN 0.437 nan 8.360 nan 0.000 0.440 281 P HA -0.002 nan 4.420 nan 0.000 0.275 281 P C 0.348 177.666 177.300 0.029 0.000 1.266 281 P CA -0.066 63.059 63.100 0.042 0.000 0.793 281 P CB 0.781 32.511 31.700 0.050 0.000 1.074 282 E N 0.672 120.887 120.200 0.026 0.000 2.065 282 E HA -0.173 4.177 4.350 0.000 0.000 0.201 282 E C 1.848 178.457 176.600 0.014 0.000 1.016 282 E CA 2.139 58.548 56.400 0.016 0.000 0.818 282 E CB -1.000 28.709 29.700 0.015 0.000 0.749 282 E HN 0.694 nan 8.360 nan 0.000 0.453 283 G N -0.775 108.035 108.800 0.018 0.000 3.314 283 G HA2 0.395 4.355 3.960 0.000 0.000 0.238 283 G HA3 0.395 4.355 3.960 0.000 0.000 0.238 283 G C 0.392 175.301 174.900 0.015 0.000 1.184 283 G CA 0.182 45.290 45.100 0.014 0.000 0.806 283 G HN 0.582 nan 8.290 nan 0.000 0.536 284 G N -0.498 108.313 108.800 0.019 0.000 2.860 284 G HA2 -0.198 3.762 3.960 0.000 0.000 0.553 284 G HA3 -0.198 3.762 3.960 0.000 0.000 0.553 284 G C -0.057 174.859 174.900 0.027 0.000 1.439 284 G CA -0.514 44.599 45.100 0.021 0.000 0.879 284 G HN 0.522 nan 8.290 nan 0.000 0.545 285 L N 0.891 122.130 121.223 0.026 0.000 2.456 285 L HA 0.415 4.755 4.340 0.000 0.000 0.257 285 L C -1.379 175.497 176.870 0.010 0.000 1.162 285 L CA -1.685 53.164 54.840 0.015 0.000 0.808 285 L CB 0.350 42.400 42.059 -0.014 0.000 1.136 285 L HN 0.424 nan 8.230 nan 0.000 0.466 286 P HA 0.021 nan 4.420 nan 0.000 0.265 286 P C -0.987 176.303 177.300 -0.016 0.000 1.187 286 P CA -0.021 63.078 63.100 -0.002 0.000 0.766 286 P CB 0.345 32.040 31.700 -0.009 0.000 0.820 287 Q N 0.483 120.273 119.800 -0.016 0.000 2.373 287 Q HA 0.405 4.745 4.340 0.000 0.000 0.255 287 Q C -0.486 175.493 176.000 -0.035 0.000 0.980 287 Q CA -0.037 55.752 55.803 -0.025 0.000 0.882 287 Q CB 0.782 29.508 28.738 -0.019 0.000 1.249 287 Q HN 0.197 nan 8.270 nan 0.000 0.438 288 V N 1.491 121.373 119.914 -0.053 0.000 3.147 288 V HA 0.047 4.167 4.120 0.000 0.000 0.306 288 V C -0.172 175.874 176.094 -0.080 0.000 1.209 288 V CA -0.588 61.669 62.300 -0.072 0.000 1.023 288 V CB 2.356 34.117 31.823 -0.103 0.000 1.059 288 V HN 0.848 nan 8.190 nan 0.000 0.435 289 D N 1.785 122.135 120.400 -0.082 0.000 2.097 289 D HA 0.002 4.642 4.640 0.000 0.000 0.197 289 D C 0.506 176.732 176.300 -0.124 0.000 0.984 289 D CA 1.308 55.261 54.000 -0.079 0.000 0.826 289 D CB 0.304 41.072 40.800 -0.054 0.000 0.973 289 D HN 0.420 nan 8.370 nan 0.000 0.460 290 R N 0.250 120.638 120.500 -0.186 0.000 2.604 290 R HA 0.456 4.796 4.340 0.000 0.000 0.281 290 R C -0.686 175.333 176.300 -0.468 0.000 1.020 290 R CA -0.541 55.344 56.100 -0.359 0.000 0.899 290 R CB 2.337 32.386 30.300 -0.417 0.000 1.205 290 R HN -0.091 nan 8.270 nan 0.000 0.450 291 E N 2.216 122.094 120.200 -0.536 0.000 2.195 291 E HA 0.474 4.824 4.350 0.000 0.000 0.271 291 E C -1.095 175.172 176.600 -0.554 0.000 0.923 291 E CA -0.574 55.585 56.400 -0.401 0.000 0.790 291 E CB 1.822 31.456 29.700 -0.110 0.000 1.155 291 E HN 0.246 nan 8.360 nan 0.000 0.402 292 F N 1.128 121.109 119.950 0.052 0.000 2.588 292 F HA 0.325 4.852 4.527 0.000 0.000 0.314 292 F C -0.850 175.128 175.800 0.296 0.000 1.069 292 F CA -1.111 56.970 58.000 0.135 0.000 0.931 292 F CB 1.425 40.490 39.000 0.109 0.000 1.260 292 F HN 0.387 nan 8.300 nan 0.000 0.465 293 Y N 3.265 123.759 120.300 0.324 0.000 2.345 293 Y HA 0.673 5.223 4.550 0.000 0.000 0.331 293 Y C -1.471 174.578 175.900 0.249 0.000 0.959 293 Y CA -1.932 56.343 58.100 0.291 0.000 1.204 293 Y CB 1.155 39.730 38.460 0.191 0.000 1.135 293 Y HN 0.429 nan 8.280 nan 0.000 0.477 294 V N 7.997 128.112 119.914 0.335 0.000 2.686 294 V HA 0.718 4.838 4.120 0.000 0.000 0.306 294 V C -1.587 174.537 176.094 0.049 0.000 1.065 294 V CA -0.745 61.620 62.300 0.109 0.000 0.894 294 V CB 1.890 33.749 31.823 0.061 0.000 1.004 294 V HN 0.805 nan 8.190 nan 0.000 0.424 295 M N 5.180 124.789 119.600 0.015 0.000 2.530 295 M HA 0.544 5.024 4.480 0.000 0.000 0.307 295 M C -0.959 175.458 176.300 0.196 0.000 1.161 295 M CA -0.500 54.779 55.300 -0.035 0.000 0.903 295 M CB 2.427 35.068 32.600 0.068 0.000 1.711 295 M HN 0.812 nan 8.290 nan 0.000 0.451 296 Q N 0.831 120.666 119.800 0.057 0.000 2.282 296 Q HA 0.765 5.106 4.340 0.000 0.000 0.260 296 Q C -0.989 174.989 176.000 -0.037 0.000 0.964 296 Q CA -0.475 55.446 55.803 0.196 0.000 0.880 296 Q CB 2.187 31.126 28.738 0.336 0.000 1.286 296 Q HN 0.932 nan 8.270 nan 0.000 0.445 297 G N 2.343 111.152 108.800 0.014 0.000 2.727 297 G HA2 0.525 4.485 3.960 0.000 0.000 0.289 297 G HA3 0.525 4.485 3.960 0.000 0.000 0.289 297 G C -1.639 173.208 174.900 -0.088 0.000 1.418 297 G CA -0.681 44.362 45.100 -0.096 0.000 0.818 297 G HN 0.600 nan 8.290 nan 0.000 0.486 298 E N -0.845 119.255 120.200 -0.168 0.000 2.277 298 E HA 0.683 5.033 4.350 0.000 0.000 0.266 298 E C -0.747 175.636 176.600 -0.362 0.000 0.901 298 E CA -0.551 55.568 56.400 -0.468 0.000 0.782 298 E CB 2.952 32.201 29.700 -0.751 0.000 1.228 298 E HN 0.358 nan 8.360 nan 0.000 0.424 299 I N 1.948 122.216 120.570 -0.504 0.000 2.608 299 I HA 0.318 4.488 4.170 0.000 0.000 0.295 299 I C -1.205 174.642 176.117 -0.451 0.000 1.049 299 I CA -0.960 60.092 61.300 -0.413 0.000 1.063 299 I CB 1.305 38.948 38.000 -0.596 0.000 1.248 299 I HN 0.525 nan 8.210 nan 0.000 0.424 300 Y N 3.358 123.555 120.300 -0.173 0.000 2.712 300 Y HA 0.272 4.822 4.550 0.000 0.000 0.328 300 Y C 0.674 176.565 175.900 -0.015 0.000 0.995 300 Y CA -0.860 57.191 58.100 -0.083 0.000 1.283 300 Y CB 1.200 39.612 38.460 -0.079 0.000 1.092 300 Y HN 0.452 nan 8.280 nan 0.000 0.519 301 T N -2.580 112.049 114.554 0.125 0.000 2.918 301 T HA 0.308 4.658 4.350 0.000 0.000 0.283 301 T C 1.211 175.990 174.700 0.133 0.000 1.001 301 T CA -0.743 61.445 62.100 0.147 0.000 1.041 301 T CB 1.715 70.696 68.868 0.188 0.000 1.028 301 T HN 0.264 nan 8.240 nan 0.000 0.511 302 V N 0.943 120.928 119.914 0.118 0.000 2.287 302 V HA -0.084 4.036 4.120 0.000 0.000 0.248 302 V C 1.451 177.597 176.094 0.087 0.000 1.053 302 V CA 1.519 63.875 62.300 0.093 0.000 1.027 302 V CB -0.785 31.084 31.823 0.077 0.000 0.646 302 V HN 0.811 nan 8.190 nan 0.000 0.447 303 K N 0.395 120.850 120.400 0.092 0.000 2.154 303 K HA 0.299 4.619 4.320 0.000 0.000 0.264 303 K C 0.319 176.969 176.600 0.083 0.000 1.008 303 K CA -0.208 56.128 56.287 0.082 0.000 0.937 303 K CB 0.841 33.387 32.500 0.077 0.000 1.002 303 K HN 0.185 nan 8.250 nan 0.000 0.469 304 S N 1.508 117.241 115.700 0.055 0.000 2.568 304 S HA -0.017 4.453 4.470 0.000 0.000 0.282 304 S C -0.074 174.518 174.600 -0.013 0.000 1.338 304 S CA -0.503 57.719 58.200 0.037 0.000 1.045 304 S CB 0.034 63.250 63.200 0.027 0.000 0.873 304 S HN 0.439 nan 8.310 nan 0.000 0.516 305 F N 2.191 121.996 119.950 -0.243 0.000 2.623 305 F HA 0.304 4.831 4.527 0.000 0.000 0.386 305 F C 1.394 177.025 175.800 -0.281 0.000 1.068 305 F CA 1.517 59.191 58.000 -0.544 0.000 1.265 305 F CB -0.169 38.466 39.000 -0.607 0.000 1.026 305 F HN 0.777 nan 8.300 nan 0.000 0.568 306 G N 2.898 111.060 108.800 -1.063 0.000 2.213 306 G HA2 -0.243 3.717 3.960 0.000 0.000 0.236 306 G HA3 -0.243 3.717 3.960 0.000 0.000 0.236 306 G C 0.274 174.990 174.900 -0.307 0.000 0.991 306 G CA 0.032 44.667 45.100 -0.774 0.000 0.629 306 G HN 0.874 nan 8.290 nan 0.000 0.517 307 T N 2.509 116.960 114.554 -0.172 0.000 2.761 307 T HA 0.560 4.910 4.350 0.000 0.000 0.296 307 T C 0.922 175.607 174.700 -0.025 0.000 0.934 307 T CA 0.499 62.565 62.100 -0.057 0.000 1.091 307 T CB 1.344 70.211 68.868 -0.002 0.000 0.896 307 T HN 1.035 nan 8.240 nan 0.000 0.515 308 S N 2.925 118.614 115.700 -0.019 0.000 2.641 308 S HA 0.820 5.290 4.470 0.000 0.000 0.261 308 S C 0.751 175.358 174.600 0.011 0.000 1.257 308 S CA 0.025 58.219 58.200 -0.010 0.000 0.983 308 S CB 0.639 63.833 63.200 -0.009 0.000 0.990 308 S HN 1.416 nan 8.310 nan 0.000 0.572 309 G N 0.090 108.897 108.800 0.011 0.000 2.526 309 G HA2 -0.049 3.911 3.960 0.000 0.000 0.250 309 G HA3 -0.049 3.911 3.960 0.000 0.000 0.250 309 G C -1.301 173.612 174.900 0.021 0.000 1.289 309 G CA -0.717 44.394 45.100 0.018 0.000 0.947 309 G HN 0.867 nan 8.290 nan 0.000 0.517 310 E N 1.322 121.535 120.200 0.022 0.000 2.129 310 E HA 0.302 4.652 4.350 0.000 0.000 0.283 310 E C 0.088 176.707 176.600 0.031 0.000 1.080 310 E CA -0.348 56.065 56.400 0.021 0.000 0.867 310 E CB 0.755 30.461 29.700 0.010 0.000 1.056 310 E HN 0.349 nan 8.360 nan 0.000 0.404 311 Q N 2.331 122.164 119.800 0.055 0.000 2.260 311 Q HA 0.314 4.654 4.340 0.000 0.000 0.242 311 Q C -0.210 175.851 176.000 0.102 0.000 0.932 311 Q CA 0.038 55.902 55.803 0.102 0.000 0.891 311 Q CB 1.497 30.313 28.738 0.129 0.000 1.222 311 Q HN 0.508 nan 8.270 nan 0.000 0.453 312 E N 0.673 120.939 120.200 0.110 0.000 2.369 312 E HA 0.395 4.745 4.350 0.000 0.000 0.270 312 E C -0.650 176.037 176.600 0.144 0.000 0.909 312 E CA -0.817 55.615 56.400 0.053 0.000 0.775 312 E CB 2.410 32.117 29.700 0.013 0.000 1.270 312 E HN 0.428 nan 8.360 nan 0.000 0.445 313 M N 2.024 121.684 119.600 0.100 0.000 2.239 313 M HA 0.034 4.514 4.480 0.000 0.000 0.348 313 M C -0.673 175.691 176.300 0.107 0.000 1.239 313 M CA 0.398 55.780 55.300 0.137 0.000 1.114 313 M CB 0.502 33.130 32.600 0.048 0.000 1.641 313 M HN 0.407 nan 8.290 nan 0.000 0.453 314 D N 3.785 124.260 120.400 0.125 0.000 2.441 314 D HA 0.050 4.690 4.640 0.000 0.000 0.231 314 D C 0.005 176.359 176.300 0.090 0.000 1.073 314 D CA -0.208 53.858 54.000 0.111 0.000 0.850 314 D CB 0.683 41.547 40.800 0.106 0.000 1.062 314 D HN 0.677 nan 8.370 nan 0.000 0.524 315 Y N 4.269 124.560 120.300 -0.015 0.000 2.242 315 Y HA -0.131 4.419 4.550 0.000 0.000 0.291 315 Y C 1.832 177.697 175.900 -0.058 0.000 1.137 315 Y CA 1.612 59.681 58.100 -0.051 0.000 1.181 315 Y CB 0.294 38.733 38.460 -0.034 0.000 0.989 315 Y HN 0.432 nan 8.280 nan 0.000 0.527 316 E N 1.132 121.276 120.200 -0.093 0.000 2.085 316 E HA -0.238 4.112 4.350 0.000 0.000 0.194 316 E C 1.872 178.358 176.600 -0.189 0.000 0.994 316 E CA 1.702 58.000 56.400 -0.170 0.000 0.801 316 E CB -0.112 29.584 29.700 -0.006 0.000 0.743 316 E HN 0.583 nan 8.360 nan 0.000 0.453 317 K N 0.431 120.780 120.400 -0.086 0.000 2.097 317 K HA -0.050 4.271 4.320 0.000 0.000 0.205 317 K C 2.362 178.856 176.600 -0.177 0.000 1.050 317 K CA 0.672 56.960 56.287 0.001 0.000 0.938 317 K CB -0.126 32.469 32.500 0.159 0.000 0.718 317 K HN 0.168 nan 8.250 nan 0.000 0.442 318 L N 1.401 122.326 121.223 -0.495 0.000 1.976 318 L HA -0.185 4.155 4.340 0.000 0.000 0.209 318 L C 2.233 178.706 176.870 -0.663 0.000 1.071 318 L CA 1.735 55.962 54.840 -1.022 0.000 0.746 318 L CB -0.347 41.301 42.059 -0.684 0.000 0.890 318 L HN 0.173 nan 8.230 nan 0.000 0.432 319 I N -2.427 117.787 120.570 -0.593 0.000 2.676 319 I HA -0.120 4.050 4.170 0.000 0.000 0.259 319 I C 1.463 177.410 176.117 -0.283 0.000 1.194 319 I CA 1.177 62.204 61.300 -0.454 0.000 1.473 319 I CB -0.698 36.980 38.000 -0.538 0.000 1.096 319 I HN 0.160 nan 8.210 nan 0.000 0.443 320 N N 1.309 119.867 118.700 -0.235 0.000 2.230 320 N HA 0.053 4.793 4.740 0.000 0.000 0.202 320 N C -0.393 175.102 175.510 -0.025 0.000 1.119 320 N CA 0.185 53.169 53.050 -0.111 0.000 0.851 320 N CB -0.146 38.295 38.487 -0.076 0.000 0.990 320 N HN 0.469 nan 8.380 nan 0.000 0.497 321 E N 0.304 120.494 120.200 -0.017 0.000 2.287 321 E HA -0.205 4.145 4.350 0.000 0.000 0.229 321 E C -0.867 175.981 176.600 0.413 0.000 1.194 321 E CA 0.521 57.052 56.400 0.219 0.000 0.704 321 E CB -1.664 28.047 29.700 0.017 0.000 1.216 321 E HN 0.332 nan 8.360 nan 0.000 0.381 322 K N 0.775 121.397 120.400 0.372 0.000 2.533 322 K HA 0.262 4.583 4.320 0.000 0.000 0.207 322 K C -2.480 174.208 176.600 0.147 0.000 1.052 322 K CA -1.713 54.713 56.287 0.231 0.000 1.030 322 K CB 1.147 33.726 32.500 0.131 0.000 1.522 322 K HN 0.010 nan 8.250 nan 0.000 0.543 323 P HA 0.078 nan 4.420 nan 0.000 0.274 323 P C 0.013 176.974 177.300 -0.566 0.000 1.237 323 P CA -0.179 62.397 63.100 -0.875 0.000 0.793 323 P CB 1.141 31.913 31.700 -1.546 0.000 0.977 324 E N 0.113 120.031 120.200 -0.470 0.000 2.290 324 E HA 0.059 4.409 4.350 0.000 0.000 0.197 324 E C -0.140 176.281 176.600 -0.298 0.000 0.948 324 E CA 0.917 57.179 56.400 -0.229 0.000 0.895 324 E CB 0.086 29.756 29.700 -0.049 0.000 0.865 324 E HN 0.510 nan 8.360 nan 0.000 0.486 325 Y N -0.431 119.681 120.300 -0.312 0.000 2.376 325 Y HA 0.386 4.936 4.550 0.000 0.000 0.340 325 Y C -0.564 175.041 175.900 -0.492 0.000 0.965 325 Y CA -0.806 57.184 58.100 -0.183 0.000 1.078 325 Y CB 1.199 39.599 38.460 -0.100 0.000 1.193 325 Y HN -0.236 nan 8.280 nan 0.000 0.452 326 F N 4.209 124.048 119.950 -0.186 0.000 2.444 326 F HA 0.612 5.140 4.527 0.000 0.000 0.342 326 F C -1.017 174.671 175.800 -0.187 0.000 1.121 326 F CA -0.822 57.028 58.000 -0.251 0.000 0.997 326 F CB 1.222 40.004 39.000 -0.363 0.000 1.130 326 F HN 0.134 nan 8.300 nan 0.000 0.454 327 L N 3.871 125.096 121.223 0.003 0.000 2.401 327 L HA 0.496 4.836 4.340 0.000 0.000 0.266 327 L C -1.031 175.852 176.870 0.022 0.000 0.991 327 L CA -1.137 53.707 54.840 0.006 0.000 0.818 327 L CB 1.582 43.697 42.059 0.093 0.000 1.321 327 L HN 0.297 nan 8.230 nan 0.000 0.413 328 F N 2.617 122.652 119.950 0.141 0.000 2.410 328 F HA 0.370 4.898 4.527 0.000 0.000 0.349 328 F C 0.887 176.744 175.800 0.096 0.000 1.117 328 F CA -0.863 57.223 58.000 0.143 0.000 1.104 328 F CB 0.568 39.652 39.000 0.139 0.000 1.122 328 F HN 0.551 nan 8.300 nan 0.000 0.483 329 N N 2.177 121.047 118.700 0.284 0.000 2.714 329 N HA -0.195 4.545 4.740 0.000 0.000 0.252 329 N C 0.988 176.551 175.510 0.088 0.000 1.014 329 N CA 1.361 54.483 53.050 0.119 0.000 0.735 329 N CB -1.154 37.371 38.487 0.063 0.000 0.924 329 N HN 1.071 nan 8.380 nan 0.000 0.540 330 G N -2.974 105.900 108.800 0.124 0.000 2.258 330 G HA2 -0.208 3.752 3.960 0.000 0.000 0.233 330 G HA3 -0.208 3.752 3.960 0.000 0.000 0.233 330 G C 0.081 175.051 174.900 0.116 0.000 1.006 330 G CA 0.491 45.644 45.100 0.089 0.000 0.620 330 G HN 1.068 nan 8.290 nan 0.000 0.511 331 S N -1.483 114.272 115.700 0.091 0.000 2.547 331 S HA 0.565 5.036 4.470 0.000 0.000 0.270 331 S C -0.223 174.423 174.600 0.077 0.000 1.150 331 S CA 0.095 58.337 58.200 0.071 0.000 0.850 331 S CB 1.808 65.014 63.200 0.010 0.000 1.118 331 S HN 1.078 nan 8.310 nan 0.000 0.461 332 V N 3.233 123.199 119.914 0.087 0.000 2.585 332 V HA 0.435 4.556 4.120 0.000 0.000 0.296 332 V C 1.674 177.780 176.094 0.020 0.000 1.035 332 V CA 1.480 63.843 62.300 0.104 0.000 1.084 332 V CB 0.263 32.194 31.823 0.180 0.000 0.953 332 V HN 1.538 nan 8.190 nan 0.000 0.483 333 G N 3.806 112.591 108.800 -0.025 0.000 2.179 333 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 333 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 333 G C 1.235 176.074 174.900 -0.102 0.000 0.977 333 G CA 0.895 45.929 45.100 -0.110 0.000 0.641 333 G HN 0.906 nan 8.290 nan 0.000 0.533 334 S N -0.645 115.042 115.700 -0.021 0.000 2.365 334 S HA -0.016 4.454 4.470 0.000 0.000 0.225 334 S C 1.999 176.612 174.600 0.021 0.000 1.039 334 S CA 1.715 59.932 58.200 0.028 0.000 1.033 334 S CB -0.180 63.076 63.200 0.093 0.000 0.887 334 S HN 0.659 nan 8.310 nan 0.000 0.447 335 L N 0.727 121.944 121.223 -0.010 0.000 2.857 335 L HA 0.221 4.561 4.340 0.000 0.000 0.249 335 L C 1.816 178.562 176.870 -0.207 0.000 1.172 335 L CA 0.540 55.353 54.840 -0.044 0.000 0.980 335 L CB 0.097 42.159 42.059 0.006 0.000 1.299 335 L HN 0.474 nan 8.230 nan 0.000 0.535 336 T N -3.968 110.376 114.554 -0.350 0.000 3.071 336 T HA 0.097 4.447 4.350 0.000 0.000 0.239 336 T C 1.917 176.331 174.700 -0.476 0.000 0.997 336 T CA -0.017 61.709 62.100 -0.623 0.000 1.134 336 T CB 0.266 68.569 68.868 -0.941 0.000 0.928 336 T HN 0.109 nan 8.240 nan 0.000 0.453 337 R N 0.395 120.648 120.500 -0.412 0.000 2.257 337 R HA 0.413 4.753 4.340 0.000 0.000 0.195 337 R C 2.569 178.762 176.300 -0.179 0.000 0.921 337 R CA 0.589 56.479 56.100 -0.350 0.000 1.069 337 R CB 0.287 30.401 30.300 -0.310 0.000 1.115 337 R HN 0.250 nan 8.270 nan 0.000 0.571 338 S N -0.111 115.464 115.700 -0.208 0.000 2.327 338 S HA 0.057 4.527 4.470 0.000 0.000 0.213 338 S C 0.448 174.749 174.600 -0.499 0.000 1.032 338 S CA 0.652 58.636 58.200 -0.361 0.000 0.960 338 S CB 0.099 63.084 63.200 -0.358 0.000 0.900 338 S HN 0.339 nan 8.310 nan 0.000 0.469 339 H N 1.093 120.181 119.070 0.029 0.000 2.429 339 H HA 0.355 4.911 4.556 0.000 0.000 0.231 339 H C -2.924 172.413 175.328 0.015 0.000 1.416 339 H CA -1.850 54.243 56.048 0.075 0.000 1.443 339 H CB 0.217 30.026 29.762 0.078 0.000 1.591 339 H HN 0.316 nan 8.280 nan 0.000 0.507 340 P HA 0.011 nan 4.420 nan 0.000 0.271 340 P C 0.258 177.383 177.300 -0.292 0.000 1.233 340 P CA -0.602 62.393 63.100 -0.173 0.000 0.789 340 P CB 1.350 32.889 31.700 -0.268 0.000 0.951 341 L N 1.316 122.341 121.223 -0.329 0.000 2.397 341 L HA 0.233 4.573 4.340 0.000 0.000 0.271 341 L C 0.146 176.782 176.870 -0.390 0.000 1.148 341 L CA 0.325 54.946 54.840 -0.366 0.000 0.825 341 L CB -0.567 41.050 42.059 -0.737 0.000 1.117 341 L HN 0.276 nan 8.230 nan 0.000 0.456 342 Y N 1.445 121.847 120.300 0.170 0.000 2.409 342 Y HA 0.794 5.345 4.550 0.000 0.000 0.343 342 Y C 0.204 176.277 175.900 0.288 0.000 0.973 342 Y CA -0.642 57.577 58.100 0.198 0.000 1.064 342 Y CB 2.029 40.597 38.460 0.181 0.000 1.207 342 Y HN 0.709 nan 8.280 nan 0.000 0.452 343 A N 0.968 124.004 122.820 0.361 0.000 2.568 343 A HA 0.914 5.235 4.320 0.000 0.000 0.291 343 A C -1.275 176.432 177.584 0.205 0.000 1.159 343 A CA -0.809 51.398 52.037 0.284 0.000 0.679 343 A CB 1.162 20.321 19.000 0.265 0.000 1.285 343 A HN 0.540 nan 8.150 nan 0.000 0.428 344 S N -0.675 115.110 115.700 0.142 0.000 2.600 344 S HA 0.657 5.127 4.470 0.000 0.000 0.300 344 S C 0.014 174.671 174.600 0.094 0.000 1.087 344 S CA -0.132 58.135 58.200 0.112 0.000 0.965 344 S CB 1.455 64.703 63.200 0.080 0.000 1.089 344 S HN 2.034 nan 8.310 nan 0.000 0.496 345 V N 0.773 120.741 119.914 0.090 0.000 2.763 345 V HA 0.541 4.662 4.120 0.000 0.000 0.306 345 V C 1.137 177.264 176.094 0.054 0.000 1.059 345 V CA 1.183 63.531 62.300 0.080 0.000 1.138 345 V CB -0.116 31.756 31.823 0.083 0.000 0.940 345 V HN 1.712 nan 8.190 nan 0.000 0.489 346 G N 3.126 111.954 108.800 0.046 0.000 2.241 346 G HA2 -0.230 3.730 3.960 0.000 0.000 0.244 346 G HA3 -0.230 3.730 3.960 0.000 0.000 0.244 346 G C 0.116 175.027 174.900 0.018 0.000 0.998 346 G CA 0.386 45.505 45.100 0.031 0.000 0.621 346 G HN 1.007 nan 8.290 nan 0.000 0.519 347 E N 1.111 121.321 120.200 0.016 0.000 2.383 347 E HA 0.448 4.798 4.350 0.000 0.000 0.264 347 E C -0.068 176.508 176.600 -0.040 0.000 1.050 347 E CA 0.396 56.792 56.400 -0.007 0.000 0.896 347 E CB 0.583 30.285 29.700 0.003 0.000 0.982 347 E HN 0.153 nan 8.360 nan 0.000 0.424 348 T N 2.002 116.524 114.554 -0.054 0.000 2.799 348 T HA 0.358 4.709 4.350 0.000 0.000 0.286 348 T C -0.484 174.124 174.700 -0.153 0.000 0.973 348 T CA -0.531 61.515 62.100 -0.090 0.000 1.035 348 T CB 1.010 69.855 68.868 -0.039 0.000 0.932 348 T HN 0.078 nan 8.240 nan 0.000 0.469 349 V N 3.379 123.116 119.914 -0.294 0.000 2.769 349 V HA 0.663 4.783 4.120 0.000 0.000 0.312 349 V C -0.201 175.686 176.094 -0.345 0.000 1.061 349 V CA -1.027 61.077 62.300 -0.328 0.000 0.931 349 V CB 2.254 33.821 31.823 -0.427 0.000 1.010 349 V HN 0.780 nan 8.190 nan 0.000 0.433 350 R N 3.885 124.258 120.500 -0.212 0.000 2.534 350 R HA 0.702 5.042 4.340 0.000 0.000 0.301 350 R C -1.560 174.693 176.300 -0.079 0.000 0.961 350 R CA -0.501 55.472 56.100 -0.213 0.000 0.871 350 R CB 1.426 31.498 30.300 -0.379 0.000 1.170 350 R HN 0.688 nan 8.270 nan 0.000 0.446 351 I N 5.252 125.831 120.570 0.014 0.000 2.330 351 I HA 0.280 4.451 4.170 0.000 0.000 0.289 351 I C -0.681 175.420 176.117 -0.028 0.000 1.001 351 I CA -0.684 60.691 61.300 0.124 0.000 1.193 351 I CB 1.233 39.428 38.000 0.325 0.000 1.345 351 I HN 0.541 nan 8.210 nan 0.000 0.461 352 F N 6.727 126.799 119.950 0.203 0.000 2.438 352 F HA 0.253 4.781 4.527 0.000 0.000 0.360 352 F C -0.087 175.871 175.800 0.263 0.000 1.118 352 F CA -0.205 57.930 58.000 0.226 0.000 1.164 352 F CB 0.250 39.452 39.000 0.337 0.000 1.131 352 F HN 0.324 nan 8.300 nan 0.000 0.527 353 F N 3.175 123.201 119.950 0.127 0.000 2.507 353 F HA 0.768 5.295 4.527 0.000 0.000 0.328 353 F C -0.171 175.617 175.800 -0.020 0.000 1.136 353 F CA -0.826 57.110 58.000 -0.107 0.000 0.930 353 F CB 1.222 39.850 39.000 -0.619 0.000 1.166 353 F HN 0.425 nan 8.300 nan 0.000 0.436 354 G N 3.899 112.240 108.800 -0.766 0.000 2.574 354 G HA2 0.584 4.544 3.960 0.000 0.000 0.299 354 G HA3 0.584 4.544 3.960 0.000 0.000 0.299 354 G C -2.139 172.320 174.900 -0.735 0.000 1.298 354 G CA -0.880 43.892 45.100 -0.546 0.000 0.952 354 G HN 0.490 nan 8.290 nan 0.000 0.477 355 V N 1.797 121.458 119.914 -0.421 0.000 2.293 355 V HA 0.413 4.534 4.120 0.000 0.000 0.275 355 V C 1.369 177.289 176.094 -0.291 0.000 1.021 355 V CA 0.294 62.411 62.300 -0.305 0.000 0.815 355 V CB 0.821 32.574 31.823 -0.116 0.000 1.025 355 V HN 0.995 nan 8.190 nan 0.000 0.448 356 G N 3.053 111.538 108.800 -0.525 0.000 2.418 356 G HA2 0.285 4.245 3.960 0.000 0.000 0.217 356 G HA3 0.285 4.245 3.960 0.000 0.000 0.217 356 G C 1.042 175.626 174.900 -0.527 0.000 1.158 356 G CA 1.178 45.789 45.100 -0.814 0.000 0.771 356 G HN 1.403 nan 8.290 nan 0.000 0.545 357 G N 0.426 108.984 108.800 -0.403 0.000 2.554 357 G HA2 -0.240 3.720 3.960 0.000 0.000 0.253 357 G HA3 -0.240 3.720 3.960 0.000 0.000 0.253 357 G C -0.963 173.888 174.900 -0.081 0.000 1.172 357 G CA 0.546 45.563 45.100 -0.137 0.000 0.950 357 G HN 0.375 nan 8.290 nan 0.000 0.557 358 P HA 0.084 nan 4.420 nan 0.000 0.229 358 P C 0.850 178.141 177.300 -0.015 0.000 1.160 358 P CA 1.477 64.562 63.100 -0.024 0.000 0.777 358 P CB 0.008 31.700 31.700 -0.013 0.000 0.814 359 N N -1.588 117.147 118.700 0.058 0.000 2.297 359 N HA 0.127 4.867 4.740 0.000 0.000 0.208 359 N C -0.062 175.330 175.510 -0.198 0.000 1.176 359 N CA 0.128 53.126 53.050 -0.088 0.000 0.882 359 N CB 0.288 38.672 38.487 -0.172 0.000 1.134 359 N HN 0.119 nan 8.380 nan 0.000 0.489 360 F N 1.278 121.274 119.950 0.076 0.000 2.443 360 F HA 0.274 4.801 4.527 0.000 0.000 0.335 360 F C 1.059 176.924 175.800 0.110 0.000 1.104 360 F CA -0.860 57.215 58.000 0.124 0.000 1.013 360 F CB 1.630 40.784 39.000 0.256 0.000 1.136 360 F HN -0.293 nan 8.300 nan 0.000 0.470 361 T N 1.410 116.103 114.554 0.232 0.000 2.832 361 T HA 0.269 4.619 4.350 0.000 0.000 0.296 361 T C 0.001 174.850 174.700 0.249 0.000 0.968 361 T CA -0.493 61.727 62.100 0.200 0.000 1.107 361 T CB 0.895 69.841 68.868 0.129 0.000 0.916 361 T HN 0.563 nan 8.240 nan 0.000 0.517 362 S N 3.072 118.942 115.700 0.284 0.000 2.525 362 S HA 0.420 4.890 4.470 0.000 0.000 0.278 362 S C 0.188 174.977 174.600 0.316 0.000 1.234 362 S CA -0.761 57.645 58.200 0.343 0.000 1.058 362 S CB 0.443 63.982 63.200 0.565 0.000 0.983 362 S HN 0.777 nan 8.310 nan 0.000 0.495 363 S N 4.873 120.731 115.700 0.263 0.000 3.315 363 S HA 0.281 4.751 4.470 0.000 0.000 0.195 363 S C -0.557 174.212 174.600 0.282 0.000 1.394 363 S CA -0.495 57.845 58.200 0.233 0.000 0.983 363 S CB -0.617 62.678 63.200 0.158 0.000 1.370 363 S HN 0.643 nan 8.310 nan 0.000 0.491 364 F N 3.646 123.676 119.950 0.132 0.000 2.495 364 F HA 0.444 4.971 4.527 0.000 0.000 0.365 364 F C 0.139 176.080 175.800 0.235 0.000 1.090 364 F CA -0.113 57.888 58.000 0.001 0.000 1.235 364 F CB 0.305 39.015 39.000 -0.483 0.000 1.119 364 F HN 0.508 nan 8.300 nan 0.000 0.562 365 H N 3.617 122.334 119.070 -0.588 0.000 2.974 365 H HA 0.583 5.139 4.556 0.000 0.000 0.366 365 H C -1.904 173.041 175.328 -0.638 0.000 1.155 365 H CA -0.844 54.947 56.048 -0.429 0.000 1.186 365 H CB 1.713 31.400 29.762 -0.126 0.000 1.799 365 H HN 0.386 nan 8.280 nan 0.000 0.541 366 V N 6.548 125.684 119.914 -1.296 0.000 2.313 366 V HA 0.250 4.370 4.120 0.000 0.000 0.278 366 V C 0.430 175.967 176.094 -0.929 0.000 1.017 366 V CA -0.619 61.130 62.300 -0.918 0.000 0.823 366 V CB 0.598 31.972 31.823 -0.749 0.000 1.010 366 V HN 0.675 nan 8.190 nan 0.000 0.443 367 I N 4.832 125.106 120.570 -0.493 0.000 2.668 367 I HA 0.278 4.449 4.170 0.000 0.000 0.285 367 I C 1.480 177.563 176.117 -0.056 0.000 1.168 367 I CA 1.511 62.703 61.300 -0.181 0.000 1.424 367 I CB 0.263 38.259 38.000 -0.007 0.000 1.377 367 I HN 0.914 nan 8.210 nan 0.000 0.560 368 G N 3.915 112.696 108.800 -0.030 0.000 2.194 368 G HA2 -0.174 3.787 3.960 0.000 0.000 0.236 368 G HA3 -0.174 3.787 3.960 0.000 0.000 0.236 368 G C 0.111 175.044 174.900 0.055 0.000 0.987 368 G CA -0.362 44.805 45.100 0.112 0.000 0.635 368 G HN 0.558 nan 8.290 nan 0.000 0.520 369 E N -0.712 119.328 120.200 -0.267 0.000 2.423 369 E HA 0.779 5.129 4.350 0.000 0.000 0.269 369 E C -0.497 175.723 176.600 -0.633 0.000 0.948 369 E CA -0.661 55.445 56.400 -0.490 0.000 0.802 369 E CB 2.006 31.243 29.700 -0.771 0.000 1.339 369 E HN 0.284 nan 8.360 nan 0.000 0.445 370 I N 1.129 121.349 120.570 -0.584 0.000 2.582 370 I HA 0.327 4.497 4.170 0.000 0.000 0.292 370 I C -0.518 175.319 176.117 -0.467 0.000 1.066 370 I CA -0.792 60.192 61.300 -0.526 0.000 1.053 370 I CB 1.433 39.284 38.000 -0.249 0.000 1.241 370 I HN 0.311 nan 8.210 nan 0.000 0.421 371 F N 4.114 123.936 119.950 -0.213 0.000 2.472 371 F HA 0.108 4.636 4.527 0.000 0.000 0.364 371 F C 1.319 177.096 175.800 -0.038 0.000 1.090 371 F CA -0.406 57.542 58.000 -0.087 0.000 1.188 371 F CB 0.507 39.496 39.000 -0.018 0.000 1.105 371 F HN 0.522 nan 8.300 nan 0.000 0.536 372 D N 1.038 121.558 120.400 0.200 0.000 2.097 372 D HA -0.093 4.548 4.640 0.000 0.000 0.197 372 D C 0.216 176.300 176.300 -0.361 0.000 0.984 372 D CA 1.624 55.592 54.000 -0.053 0.000 0.826 372 D CB -0.009 40.812 40.800 0.036 0.000 0.973 372 D HN 0.534 nan 8.370 nan 0.000 0.460 373 H N -1.598 117.574 119.070 0.170 0.000 2.600 373 H HA 0.542 5.098 4.556 0.000 0.000 0.357 373 H C -0.936 174.454 175.328 0.104 0.000 1.106 373 H CA -0.709 55.383 56.048 0.075 0.000 1.193 373 H CB 2.315 32.088 29.762 0.018 0.000 1.594 373 H HN -0.327 nan 8.280 nan 0.000 0.526 374 V N 3.617 123.598 119.914 0.111 0.000 2.444 374 V HA 0.124 4.245 4.120 0.000 0.000 0.294 374 V C -0.911 175.195 176.094 0.021 0.000 1.022 374 V CA -0.869 61.493 62.300 0.104 0.000 0.850 374 V CB 0.744 32.623 31.823 0.094 0.000 0.992 374 V HN 0.735 nan 8.190 nan 0.000 0.426 375 Y N 2.857 123.195 120.300 0.063 0.000 2.616 375 Y HA 0.224 4.774 4.550 0.000 0.000 0.350 375 Y C 1.369 177.300 175.900 0.052 0.000 1.119 375 Y CA -0.312 57.821 58.100 0.055 0.000 1.467 375 Y CB 0.094 38.580 38.460 0.043 0.000 1.287 375 Y HN 0.680 nan 8.280 nan 0.000 0.504 376 S N 3.643 119.410 115.700 0.112 0.000 2.546 376 S HA 0.072 4.542 4.470 0.000 0.000 0.290 376 S C 0.790 175.454 174.600 0.106 0.000 1.290 376 S CA -0.538 57.721 58.200 0.099 0.000 1.069 376 S CB 0.292 63.531 63.200 0.065 0.000 0.846 376 S HN 0.807 nan 8.310 nan 0.000 0.495 377 L N 1.044 122.330 121.223 0.104 0.000 4.137 377 L HA -0.309 4.031 4.340 0.000 0.000 0.421 377 L C 1.438 178.355 176.870 0.079 0.000 1.162 377 L CA 0.449 55.344 54.840 0.091 0.000 0.978 377 L CB -2.459 39.646 42.059 0.077 0.000 1.957 377 L HN 1.252 nan 8.230 nan 0.000 0.978 378 G N -0.827 108.032 108.800 0.098 0.000 2.162 378 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 378 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 378 G C 0.332 175.250 174.900 0.030 0.000 0.976 378 G CA 0.644 45.776 45.100 0.054 0.000 0.655 378 G HN 0.656 nan 8.290 nan 0.000 0.533 379 S N -0.788 114.964 115.700 0.087 0.000 2.525 379 S HA 0.358 4.828 4.470 0.000 0.000 0.285 379 S C 1.425 176.144 174.600 0.199 0.000 1.283 379 S CA 0.396 58.656 58.200 0.099 0.000 1.072 379 S CB 1.290 64.549 63.200 0.098 0.000 0.867 379 S HN 0.757 nan 8.310 nan 0.000 0.492 380 V N 5.522 125.521 119.914 0.142 0.000 3.661 380 V HA 0.046 4.167 4.120 0.000 0.000 0.271 380 V C 1.588 177.794 176.094 0.186 0.000 1.315 380 V CA 0.504 62.923 62.300 0.199 0.000 1.072 380 V CB 0.674 32.526 31.823 0.048 0.000 0.830 380 V HN 0.819 nan 8.190 nan 0.000 0.443 381 V N -1.027 118.963 119.914 0.126 0.000 2.599 381 V HA 0.049 4.169 4.120 0.000 0.000 0.245 381 V C 1.236 177.378 176.094 0.080 0.000 1.046 381 V CA 0.757 63.114 62.300 0.095 0.000 1.065 381 V CB 0.048 31.916 31.823 0.075 0.000 0.703 381 V HN 0.422 nan 8.190 nan 0.000 0.464 382 S N 0.621 116.367 115.700 0.076 0.000 2.592 382 S HA 0.326 4.796 4.470 0.000 0.000 0.271 382 S C -2.259 172.348 174.600 0.011 0.000 1.326 382 S CA -0.613 57.613 58.200 0.043 0.000 1.024 382 S CB 0.820 64.045 63.200 0.041 0.000 0.921 382 S HN 0.234 nan 8.310 nan 0.000 0.527 383 P HA 0.224 nan 4.420 nan 0.000 0.267 383 P C -2.401 174.825 177.300 -0.124 0.000 1.209 383 P CA -0.888 62.176 63.100 -0.060 0.000 0.763 383 P CB -0.413 31.272 31.700 -0.024 0.000 0.816 384 P HA 0.073 nan 4.420 nan 0.000 0.269 384 P C -0.240 176.996 177.300 -0.105 0.000 1.215 384 P CA 0.074 62.949 63.100 -0.376 0.000 0.780 384 P CB 0.427 31.713 31.700 -0.691 0.000 0.898 385 L N 2.026 123.211 121.223 -0.063 0.000 2.436 385 L HA 0.308 4.648 4.340 0.000 0.000 0.265 385 L C 0.527 177.386 176.870 -0.018 0.000 1.168 385 L CA -0.218 54.614 54.840 -0.013 0.000 0.815 385 L CB 0.055 42.120 42.059 0.010 0.000 1.109 385 L HN 0.237 nan 8.230 nan 0.000 0.462 386 I N 1.229 121.775 120.570 -0.040 0.000 2.404 386 I HA 0.425 4.595 4.170 0.000 0.000 0.293 386 I C 0.507 176.577 176.117 -0.078 0.000 0.992 386 I CA -0.424 60.803 61.300 -0.122 0.000 1.149 386 I CB 1.701 39.632 38.000 -0.114 0.000 1.315 386 I HN 0.758 nan 8.210 nan 0.000 0.446 387 G N 4.652 113.399 108.800 -0.088 0.000 2.531 387 G HA2 -0.098 3.862 3.960 0.000 0.000 0.283 387 G HA3 -0.098 3.862 3.960 0.000 0.000 0.283 387 G C -0.819 174.071 174.900 -0.017 0.000 1.068 387 G CA -0.611 44.457 45.100 -0.053 0.000 1.273 387 G HN 0.450 nan 8.290 nan 0.000 0.532 388 V N 2.812 122.743 119.914 0.028 0.000 2.638 388 V HA 0.428 4.548 4.120 0.000 0.000 0.306 388 V C 1.262 177.368 176.094 0.021 0.000 1.052 388 V CA 0.043 62.387 62.300 0.074 0.000 0.885 388 V CB 1.806 33.732 31.823 0.171 0.000 0.999 388 V HN 0.797 nan 8.190 nan 0.000 0.424 389 Q N 2.636 122.417 119.800 -0.031 0.000 2.137 389 Q HA 0.080 4.420 4.340 0.000 0.000 0.198 389 Q C 0.090 176.094 176.000 0.008 0.000 0.960 389 Q CA 0.925 56.661 55.803 -0.112 0.000 0.847 389 Q CB 0.372 29.051 28.738 -0.100 0.000 0.915 389 Q HN 0.619 nan 8.270 nan 0.000 0.448 390 T N 0.855 115.497 114.554 0.147 0.000 2.993 390 T HA 0.465 4.816 4.350 0.000 0.000 0.312 390 T C -1.842 173.022 174.700 0.273 0.000 1.115 390 T CA -0.644 61.593 62.100 0.228 0.000 1.027 390 T CB 2.398 71.268 68.868 0.003 0.000 1.116 390 T HN 0.128 nan 8.240 nan 0.000 0.464 391 V N 2.585 122.702 119.914 0.337 0.000 2.483 391 V HA 0.699 4.819 4.120 0.000 0.000 0.297 391 V C -0.168 176.079 176.094 0.256 0.000 1.027 391 V CA -0.440 62.016 62.300 0.261 0.000 0.855 391 V CB 1.860 33.815 31.823 0.220 0.000 0.995 391 V HN 0.916 nan 8.190 nan 0.000 0.424 392 S N 5.345 121.162 115.700 0.195 0.000 2.455 392 S HA 0.561 5.032 4.470 0.000 0.000 0.278 392 S C -0.570 174.153 174.600 0.205 0.000 1.216 392 S CA -0.327 57.986 58.200 0.188 0.000 1.055 392 S CB 0.418 63.697 63.200 0.131 0.000 0.939 392 S HN 0.735 nan 8.310 nan 0.000 0.494 393 V N 9.059 129.125 119.914 0.254 0.000 2.407 393 V HA 0.479 4.600 4.120 0.000 0.000 0.291 393 V C -2.007 174.196 176.094 0.181 0.000 1.018 393 V CA -1.791 60.652 62.300 0.240 0.000 0.842 393 V CB 1.664 33.705 31.823 0.363 0.000 0.996 393 V HN 0.719 nan 8.190 nan 0.000 0.426 394 P HA 0.310 nan 4.420 nan 0.000 0.276 394 P C -2.774 174.567 177.300 0.069 0.000 1.244 394 P CA -1.996 61.161 63.100 0.095 0.000 0.801 394 P CB 0.476 32.222 31.700 0.077 0.000 1.006 395 P HA -0.030 nan 4.420 nan 0.000 0.265 395 P C 0.912 178.233 177.300 0.035 0.000 1.193 395 P CA 1.135 64.239 63.100 0.007 0.000 0.765 395 P CB -0.250 31.444 31.700 -0.010 0.000 0.823 396 G N 1.462 110.282 108.800 0.033 0.000 2.153 396 G HA2 -0.125 3.836 3.960 0.000 0.000 0.252 396 G HA3 -0.125 3.836 3.960 0.000 0.000 0.252 396 G C 0.387 175.435 174.900 0.247 0.000 0.994 396 G CA -0.066 45.153 45.100 0.197 0.000 0.698 396 G HN 0.939 nan 8.290 nan 0.000 0.521 397 G N -1.412 107.456 108.800 0.114 0.000 2.569 397 G HA2 1.028 4.988 3.960 0.000 0.000 0.300 397 G HA3 1.028 4.988 3.960 0.000 0.000 0.300 397 G C -0.441 174.483 174.900 0.038 0.000 1.269 397 G CA 0.182 45.350 45.100 0.113 0.000 0.959 397 G HN 1.602 nan 8.290 nan 0.000 0.478 398 A N -0.500 122.349 122.820 0.048 0.000 2.566 398 A HA 0.931 5.252 4.320 0.000 0.000 0.292 398 A C -0.490 177.140 177.584 0.077 0.000 1.112 398 A CA -0.361 51.687 52.037 0.019 0.000 0.707 398 A CB 1.891 20.896 19.000 0.009 0.000 1.302 398 A HN 1.246 nan 8.150 nan 0.000 0.409 399 T N -0.538 114.089 114.554 0.121 0.000 2.812 399 T HA 0.725 5.075 4.350 0.000 0.000 0.294 399 T C -1.592 173.195 174.700 0.146 0.000 1.159 399 T CA -0.326 61.863 62.100 0.149 0.000 1.008 399 T CB 0.832 69.804 68.868 0.174 0.000 1.289 399 T HN 0.592 nan 8.240 nan 0.000 0.514 400 I N 2.230 122.873 120.570 0.123 0.000 2.498 400 I HA 0.584 4.755 4.170 0.000 0.000 0.290 400 I C -0.629 175.560 176.117 0.120 0.000 1.032 400 I CA -1.109 60.191 61.300 0.001 0.000 1.073 400 I CB 2.150 39.958 38.000 -0.320 0.000 1.251 400 I HN 0.485 nan 8.210 nan 0.000 0.426 401 V N 1.269 121.197 119.914 0.024 0.000 2.604 401 V HA 0.704 4.824 4.120 0.000 0.000 0.305 401 V C -1.227 174.987 176.094 0.199 0.000 1.043 401 V CA -0.425 61.904 62.300 0.047 0.000 0.888 401 V CB 2.013 33.553 31.823 -0.471 0.000 0.995 401 V HN 0.522 nan 8.190 nan 0.000 0.429 402 D N 4.254 124.857 120.400 0.337 0.000 2.498 402 D HA 0.802 5.442 4.640 0.000 0.000 0.247 402 D C -0.823 175.768 176.300 0.485 0.000 1.070 402 D CA 0.203 54.372 54.000 0.280 0.000 0.842 402 D CB 2.021 42.986 40.800 0.276 0.000 1.361 402 D HN 0.756 nan 8.370 nan 0.000 0.484 403 F N -1.246 118.794 119.950 0.151 0.000 2.628 403 F HA 0.440 4.967 4.527 0.000 0.000 0.309 403 F C -0.364 175.466 175.800 0.050 0.000 1.108 403 F CA -1.322 56.738 58.000 0.101 0.000 0.971 403 F CB 1.476 40.523 39.000 0.079 0.000 1.279 403 F HN -0.102 nan 8.300 nan 0.000 0.441 404 K N 3.393 123.876 120.400 0.138 0.000 2.322 404 K HA 0.438 4.758 4.320 0.000 0.000 0.283 404 K C -0.744 175.906 176.600 0.084 0.000 1.042 404 K CA -0.375 55.944 56.287 0.053 0.000 0.958 404 K CB 0.648 33.183 32.500 0.058 0.000 0.984 404 K HN 0.807 nan 8.250 nan 0.000 0.473 405 I N 5.265 125.848 120.570 0.021 0.000 2.308 405 I HA -0.006 4.165 4.170 0.000 0.000 0.293 405 I C 0.248 176.384 176.117 0.031 0.000 1.078 405 I CA -0.242 61.063 61.300 0.009 0.000 1.292 405 I CB 1.028 39.018 38.000 -0.016 0.000 1.423 405 I HN 0.699 nan 8.210 nan 0.000 0.493 406 D N 5.200 125.621 120.400 0.034 0.000 2.234 406 D HA -0.041 4.600 4.640 0.000 0.000 0.205 406 D C 0.495 176.840 176.300 0.075 0.000 0.962 406 D CA 0.973 55.003 54.000 0.050 0.000 0.855 406 D CB 0.225 41.050 40.800 0.043 0.000 0.951 406 D HN 0.571 nan 8.370 nan 0.000 0.500 407 R N -1.060 119.512 120.500 0.118 0.000 2.733 407 R HA 0.744 5.084 4.340 0.000 0.000 0.272 407 R C -1.367 175.070 176.300 0.228 0.000 1.029 407 R CA -1.117 55.068 56.100 0.141 0.000 0.888 407 R CB 0.916 31.286 30.300 0.117 0.000 1.251 407 R HN -0.120 nan 8.270 nan 0.000 0.464 408 A N 0.160 123.075 122.820 0.158 0.000 2.346 408 A HA 0.752 5.072 4.320 0.000 0.000 0.252 408 A C 0.497 178.109 177.584 0.047 0.000 1.089 408 A CA 0.445 52.564 52.037 0.137 0.000 0.797 408 A CB -0.096 18.942 19.000 0.064 0.000 1.047 408 A HN 1.350 nan 8.150 nan 0.000 0.494 409 G N -0.660 108.083 108.800 -0.094 0.000 2.352 409 G HA2 0.400 4.361 3.960 0.000 0.000 0.302 409 G HA3 0.400 4.361 3.960 0.000 0.000 0.302 409 G C -0.883 173.702 174.900 -0.525 0.000 1.370 409 G CA -0.519 44.345 45.100 -0.395 0.000 0.918 409 G HN 1.025 nan 8.290 nan 0.000 0.610 410 R N 0.341 120.521 120.500 -0.533 0.000 2.205 410 R HA 0.610 4.951 4.340 0.000 0.000 0.342 410 R C -0.904 175.063 176.300 -0.555 0.000 1.058 410 R CA -0.479 55.344 56.100 -0.462 0.000 0.904 410 R CB -0.121 29.898 30.300 -0.467 0.000 1.089 410 R HN 0.465 nan 8.270 nan 0.000 0.471 411 Y N 4.390 124.643 120.300 -0.079 0.000 2.320 411 Y HA 0.373 4.923 4.550 0.000 0.000 0.324 411 Y C 0.340 176.229 175.900 -0.019 0.000 1.190 411 Y CA -0.652 57.406 58.100 -0.069 0.000 1.215 411 Y CB 1.285 39.715 38.460 -0.050 0.000 1.221 411 Y HN 0.388 nan 8.280 nan 0.000 0.486 412 I N 4.121 124.750 120.570 0.099 0.000 2.410 412 I HA 0.215 4.385 4.170 0.000 0.000 0.286 412 I C -1.246 174.882 176.117 0.018 0.000 1.009 412 I CA -0.676 60.706 61.300 0.137 0.000 1.111 412 I CB 1.064 39.155 38.000 0.151 0.000 1.262 412 I HN 0.282 nan 8.210 nan 0.000 0.443 413 L N 7.888 129.134 121.223 0.038 0.000 2.331 413 L HA 0.564 4.904 4.340 0.000 0.000 0.278 413 L C 0.068 177.057 176.870 0.198 0.000 1.106 413 L CA -0.012 54.801 54.840 -0.045 0.000 0.824 413 L CB 1.247 43.241 42.059 -0.109 0.000 1.142 413 L HN 0.473 nan 8.230 nan 0.000 0.443 414 V N -0.961 119.050 119.914 0.162 0.000 3.178 414 V HA 0.576 4.696 4.120 0.000 0.000 0.302 414 V C -1.168 175.093 176.094 0.279 0.000 1.262 414 V CA -0.978 61.469 62.300 0.245 0.000 1.030 414 V CB 2.118 33.963 31.823 0.037 0.000 1.074 414 V HN 0.605 nan 8.190 nan 0.000 0.438 415 D N 1.035 121.548 120.400 0.188 0.000 2.313 415 D HA 0.247 4.887 4.640 0.000 0.000 0.239 415 D C 0.643 176.958 176.300 0.025 0.000 1.142 415 D CA 0.081 54.166 54.000 0.143 0.000 0.847 415 D CB 0.882 41.696 40.800 0.023 0.000 1.082 415 D HN 0.797 nan 8.370 nan 0.000 0.480 416 H N 2.866 121.941 119.070 0.009 0.000 2.562 416 H HA 0.080 4.637 4.556 0.000 0.000 0.272 416 H C -0.226 175.051 175.328 -0.086 0.000 1.019 416 H CA 0.284 56.296 56.048 -0.059 0.000 1.160 416 H CB 0.150 29.845 29.762 -0.112 0.000 1.334 416 H HN 0.417 nan 8.280 nan 0.000 0.611 417 A N 1.487 124.300 122.820 -0.012 0.000 2.797 417 A HA 0.092 4.412 4.320 0.000 0.000 0.296 417 A C 1.030 178.490 177.584 -0.207 0.000 1.580 417 A CA -0.288 51.692 52.037 -0.095 0.000 1.277 417 A CB -0.426 18.493 19.000 -0.135 0.000 1.101 417 A HN 0.224 nan 8.150 nan 0.000 0.562 418 L N 1.709 122.822 121.223 -0.184 0.000 2.478 418 L HA -0.004 4.336 4.340 0.000 0.000 0.223 418 L C 2.341 179.080 176.870 -0.219 0.000 1.140 418 L CA 1.401 56.098 54.840 -0.239 0.000 0.842 418 L CB -1.051 40.849 42.059 -0.265 0.000 0.953 418 L HN 0.604 nan 8.230 nan 0.000 0.452 419 S N -0.451 115.130 115.700 -0.198 0.000 2.440 419 S HA -0.171 4.299 4.470 0.000 0.000 0.238 419 S C 1.941 176.416 174.600 -0.209 0.000 1.010 419 S CA 0.906 59.000 58.200 -0.177 0.000 0.972 419 S CB -0.167 62.953 63.200 -0.134 0.000 0.774 419 S HN 0.471 nan 8.310 nan 0.000 0.501 420 R N 0.597 120.869 120.500 -0.379 0.000 2.237 420 R HA 0.106 4.447 4.340 0.000 0.000 0.219 420 R C 1.967 178.061 176.300 -0.342 0.000 1.080 420 R CA 0.469 56.249 56.100 -0.534 0.000 0.995 420 R CB -0.373 29.326 30.300 -1.003 0.000 0.875 420 R HN 0.368 nan 8.270 nan 0.000 0.462 421 L N 1.177 122.230 121.223 -0.283 0.000 2.013 421 L HA -0.219 4.121 4.340 0.000 0.000 0.212 421 L C 1.365 178.077 176.870 -0.263 0.000 1.073 421 L CA 1.605 56.306 54.840 -0.231 0.000 0.753 421 L CB -0.216 41.729 42.059 -0.190 0.000 0.890 421 L HN 0.284 nan 8.230 nan 0.000 0.432 422 E N -1.500 118.507 120.200 -0.322 0.000 2.403 422 E HA -0.012 4.338 4.350 0.000 0.000 0.188 422 E C 0.419 176.443 176.600 -0.960 0.000 1.056 422 E CA -0.011 56.126 56.400 -0.438 0.000 0.892 422 E CB 0.125 29.616 29.700 -0.348 0.000 1.049 422 E HN 0.548 nan 8.360 nan 0.000 0.465 423 H N -0.502 118.026 119.070 -0.902 0.000 2.662 423 H HA 0.193 4.749 4.556 0.000 0.000 0.268 423 H C 1.079 175.866 175.328 -0.902 0.000 1.152 423 H CA 0.499 55.647 56.048 -1.500 0.000 1.072 423 H CB 1.428 30.795 29.762 -0.659 0.000 1.660 423 H HN 0.394 nan 8.280 nan 0.000 0.584 424 G N 1.094 109.671 108.800 -0.373 0.000 2.179 424 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 424 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 424 G C 0.170 175.021 174.900 -0.081 0.000 0.990 424 G CA -0.331 44.772 45.100 0.005 0.000 0.646 424 G HN 0.318 nan 8.290 nan 0.000 0.517 425 L N 1.498 122.604 121.223 -0.194 0.000 2.315 425 L HA 0.716 5.057 4.340 0.000 0.000 0.278 425 L C -0.279 176.445 176.870 -0.244 0.000 1.088 425 L CA -0.588 54.034 54.840 -0.364 0.000 0.899 425 L CB 1.089 42.882 42.059 -0.442 0.000 1.277 425 L HN 0.155 nan 8.230 nan 0.000 0.431 426 V N 2.865 122.732 119.914 -0.079 0.000 3.000 426 V HA 0.873 4.993 4.120 0.000 0.000 0.300 426 V C -0.711 175.478 176.094 0.158 0.000 1.251 426 V CA -0.167 62.181 62.300 0.080 0.000 0.972 426 V CB 2.322 34.106 31.823 -0.064 0.000 1.065 426 V HN 0.598 nan 8.190 nan 0.000 0.431 427 G N 4.095 112.982 108.800 0.146 0.000 2.659 427 G HA2 0.762 4.723 3.960 0.000 0.000 0.296 427 G HA3 0.762 4.723 3.960 0.000 0.000 0.296 427 G C -1.711 173.186 174.900 -0.005 0.000 1.369 427 G CA -0.620 44.467 45.100 -0.022 0.000 0.937 427 G HN 0.647 nan 8.290 nan 0.000 0.485 428 F N 0.412 120.339 119.950 -0.038 0.000 2.495 428 F HA 0.527 5.054 4.527 0.000 0.000 0.327 428 F C -0.313 175.398 175.800 -0.148 0.000 1.103 428 F CA -1.139 56.820 58.000 -0.070 0.000 0.949 428 F CB 2.676 41.644 39.000 -0.053 0.000 1.142 428 F HN 0.325 nan 8.300 nan 0.000 0.457 429 L N 4.898 126.182 121.223 0.103 0.000 2.316 429 L HA 0.481 4.822 4.340 0.000 0.000 0.280 429 L C -1.115 175.796 176.870 0.067 0.000 1.006 429 L CA -0.544 54.291 54.840 -0.008 0.000 0.836 429 L CB 0.626 42.711 42.059 0.043 0.000 1.221 429 L HN 0.417 nan 8.230 nan 0.000 0.418 430 N N 4.548 123.233 118.700 -0.025 0.000 2.426 430 N HA 0.473 5.213 4.740 0.000 0.000 0.275 430 N C -1.225 174.399 175.510 0.191 0.000 1.019 430 N CA -0.246 52.836 53.050 0.054 0.000 0.941 430 N CB 2.364 40.892 38.487 0.067 0.000 1.123 430 N HN 0.395 nan 8.380 nan 0.000 0.486 431 V N 2.009 122.027 119.914 0.173 0.000 2.409 431 V HA 0.170 4.290 4.120 0.000 0.000 0.290 431 V C -0.206 175.965 176.094 0.128 0.000 1.017 431 V CA -0.910 61.511 62.300 0.203 0.000 0.841 431 V CB 1.585 33.592 31.823 0.306 0.000 1.003 431 V HN 0.499 nan 8.190 nan 0.000 0.426 432 D N 2.971 123.443 120.400 0.119 0.000 2.372 432 D HA 0.625 5.265 4.640 0.000 0.000 0.243 432 D C 0.564 176.901 176.300 0.060 0.000 1.121 432 D CA 1.679 55.723 54.000 0.074 0.000 0.898 432 D CB 1.344 42.185 40.800 0.068 0.000 1.202 432 D HN 0.990 nan 8.370 nan 0.000 0.428 433 G N 1.264 110.086 108.800 0.037 0.000 2.359 433 G HA2 0.206 4.166 3.960 0.000 0.000 0.293 433 G HA3 0.206 4.166 3.960 0.000 0.000 0.293 433 G C -2.755 172.155 174.900 0.017 0.000 1.300 433 G CA -1.103 44.016 45.100 0.032 0.000 0.888 433 G HN 0.440 nan 8.290 nan 0.000 0.541 434 P HA 0.239 nan 4.420 nan 0.000 0.269 434 P C 0.768 178.071 177.300 0.006 0.000 1.209 434 P CA -0.256 62.849 63.100 0.009 0.000 0.776 434 P CB 1.526 33.233 31.700 0.012 0.000 0.876 435 K N 1.690 122.088 120.400 -0.003 0.000 2.009 435 K HA -0.094 4.226 4.320 0.000 0.000 0.210 435 K C 0.463 177.073 176.600 0.016 0.000 1.049 435 K CA 1.104 57.386 56.287 -0.008 0.000 0.929 435 K CB 0.025 32.518 32.500 -0.013 0.000 0.714 435 K HN 0.467 nan 8.250 nan 0.000 0.440 436 N N 1.713 120.431 118.700 0.029 0.000 2.421 436 N HA 0.085 4.825 4.740 0.000 0.000 0.285 436 N C -1.012 174.530 175.510 0.053 0.000 1.027 436 N CA -0.166 52.921 53.050 0.063 0.000 0.918 436 N CB 1.700 40.222 38.487 0.059 0.000 1.152 436 N HN 0.324 nan 8.380 nan 0.000 0.485 437 D N -1.957 118.498 120.400 0.091 0.000 2.838 437 D HA 0.129 4.769 4.640 0.000 0.000 0.334 437 D C 0.558 176.933 176.300 0.125 0.000 1.315 437 D CA -0.550 53.490 54.000 0.067 0.000 0.917 437 D CB -0.119 40.714 40.800 0.055 0.000 1.435 437 D HN 0.212 nan 8.370 nan 0.000 0.517 438 S N -0.739 115.014 115.700 0.089 0.000 2.453 438 S HA -0.033 4.438 4.470 0.000 0.000 0.231 438 S C 1.849 176.526 174.600 0.129 0.000 1.005 438 S CA 0.540 58.811 58.200 0.119 0.000 0.949 438 S CB -0.702 62.533 63.200 0.059 0.000 0.774 438 S HN 0.508 nan 8.310 nan 0.000 0.510 439 I N 0.247 120.873 120.570 0.092 0.000 2.500 439 I HA 0.245 4.415 4.170 0.000 0.000 0.252 439 I C 1.059 177.202 176.117 0.043 0.000 1.142 439 I CA 0.711 62.048 61.300 0.061 0.000 1.451 439 I CB 0.064 38.097 38.000 0.054 0.000 1.093 439 I HN 0.378 nan 8.210 nan 0.000 0.430 440 M N 0.396 120.032 119.600 0.061 0.000 2.307 440 M HA 0.266 4.746 4.480 0.000 0.000 0.279 440 M C -1.906 174.427 176.300 0.055 0.000 1.080 440 M CA -0.472 54.826 55.300 -0.003 0.000 0.964 440 M CB 1.454 34.049 32.600 -0.007 0.000 1.825 440 M HN 0.210 nan 8.290 nan 0.000 0.489 441 H N 1.114 120.181 119.070 -0.005 0.000 3.037 441 H HA 0.565 5.122 4.556 0.000 0.000 0.355 441 H C -1.540 173.783 175.328 -0.009 0.000 1.263 441 H CA -1.019 55.025 56.048 -0.007 0.000 1.129 441 H CB 0.810 30.569 29.762 -0.004 0.000 1.861 441 H HN 0.651 nan 8.280 nan 0.000 0.546 442 E N 1.489 121.762 120.200 0.121 0.000 2.408 442 E HA 0.413 4.764 4.350 0.000 0.000 0.259 442 E C 0.415 177.115 176.600 0.166 0.000 1.110 442 E CA -0.291 56.152 56.400 0.072 0.000 0.929 442 E CB 0.599 30.331 29.700 0.053 0.000 0.971 442 E HN 1.244 nan 8.360 nan 0.000 0.438 443 G N 1.851 110.695 108.800 0.072 0.000 2.828 443 G HA2 -0.174 3.787 3.960 0.000 0.000 0.463 443 G HA3 -0.174 3.787 3.960 0.000 0.000 0.463 443 G C -2.510 172.447 174.900 0.095 0.000 1.394 443 G CA -0.464 44.690 45.100 0.089 0.000 0.862 443 G HN 0.667 nan 8.290 nan 0.000 0.540 444 P HA 0.599 nan 4.420 nan 0.000 0.276 444 P C 0.521 177.927 177.300 0.176 0.000 1.252 444 P CA 0.285 63.434 63.100 0.081 0.000 0.802 444 P CB 0.570 32.301 31.700 0.051 0.000 1.035 445 A N 0.000 122.891 122.820 0.119 0.000 2.254 445 A HA 0.000 4.320 4.320 0.000 0.000 0.244 445 A CA 0.000 52.127 52.037 0.150 0.000 0.836 445 A CB 0.000 19.051 19.000 0.085 0.000 0.831 445 A HN 0.000 nan 8.150 nan 0.000 0.486