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_E 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 0.000 175.492 175.328 0.274 0.000 0.993 24 H CA 0.000 56.188 56.048 0.233 0.000 1.023 24 H CB 0.000 29.852 29.762 0.149 0.000 1.292 25 A N 1.797 124.842 122.820 0.375 0.000 2.322 25 A HA 0.473 4.792 4.320 -0.003 0.000 0.269 25 A C -2.128 175.487 177.584 0.051 0.000 1.094 25 A CA -1.206 50.941 52.037 0.184 0.000 0.807 25 A CB -0.570 18.466 19.000 0.061 0.000 1.047 25 A HN 0.427 nan 8.150 nan 0.000 0.487 26 P HA 0.046 nan 4.420 nan 0.000 0.265 26 P C -0.175 177.039 177.300 -0.143 0.000 1.187 26 P CA 0.096 63.132 63.100 -0.107 0.000 0.766 26 P CB 0.453 32.066 31.700 -0.146 0.000 0.820 27 V N 4.483 124.283 119.914 -0.190 0.000 2.488 27 V HA 0.135 4.254 4.120 -0.003 0.000 0.277 27 V C -0.234 175.573 176.094 -0.478 0.000 1.046 27 V CA -0.185 61.926 62.300 -0.316 0.000 0.986 27 V CB 0.876 32.541 31.823 -0.263 0.000 0.989 27 V HN 0.248 nan 8.190 nan 0.000 0.475 28 V N 8.110 127.682 119.914 -0.570 0.000 2.459 28 V HA 0.572 4.691 4.120 -0.003 0.000 0.295 28 V C -0.537 175.137 176.094 -0.700 0.000 1.029 28 V CA -0.486 61.526 62.300 -0.480 0.000 0.874 28 V CB 1.516 33.176 31.823 -0.272 0.000 0.985 28 V HN 0.762 nan 8.190 nan 0.000 0.438 29 F N 1.257 121.099 119.950 -0.180 0.000 2.520 29 F HA 0.619 5.145 4.527 -0.002 0.000 0.322 29 F C 0.472 176.173 175.800 -0.165 0.000 1.103 29 F CA -0.552 57.350 58.000 -0.164 0.000 0.926 29 F CB 2.405 41.287 39.000 -0.197 0.000 1.154 29 F HN 0.326 nan 8.300 nan 0.000 0.453 30 T N 4.609 119.189 114.554 0.044 0.000 2.779 30 T HA 0.655 5.004 4.350 -0.003 0.000 0.280 30 T C -0.564 174.139 174.700 0.006 0.000 0.987 30 T CA -0.572 61.527 62.100 -0.002 0.000 0.966 30 T CB 0.843 69.697 68.868 -0.023 0.000 0.933 30 T HN 0.314 nan 8.240 nan 0.000 0.442 31 L N 4.052 125.275 121.223 0.001 0.000 2.341 31 L HA 0.649 4.988 4.340 -0.003 0.000 0.278 31 L C 0.414 177.334 176.870 0.083 0.000 1.005 31 L CA -1.135 53.728 54.840 0.039 0.000 0.818 31 L CB 1.674 43.732 42.059 -0.001 0.000 1.259 31 L HN 0.575 nan 8.230 nan 0.000 0.418 32 R N 0.420 120.967 120.500 0.079 0.000 2.604 32 R HA 0.677 5.015 4.340 -0.003 0.000 0.287 32 R C -0.386 175.954 176.300 0.066 0.000 0.970 32 R CA -0.605 55.534 56.100 0.065 0.000 0.946 32 R CB 1.581 31.897 30.300 0.026 0.000 1.127 32 R HN 0.613 nan 8.270 nan 0.000 0.473 33 T N -0.961 113.590 114.554 -0.006 0.000 2.918 33 T HA 0.755 5.103 4.350 -0.003 0.000 0.283 33 T C 0.444 175.087 174.700 -0.096 0.000 1.001 33 T CA 0.029 62.026 62.100 -0.171 0.000 1.041 33 T CB 1.587 70.154 68.868 -0.501 0.000 1.028 33 T HN 0.914 nan 8.240 nan 0.000 0.511 34 G N 0.564 109.292 108.800 -0.121 0.000 2.340 34 G HA2 0.470 4.429 3.960 -0.003 0.000 0.299 34 G HA3 0.470 4.429 3.960 -0.003 0.000 0.299 34 G C -1.976 172.891 174.900 -0.055 0.000 1.291 34 G CA -1.028 44.043 45.100 -0.048 0.000 0.841 34 G HN 0.826 nan 8.290 nan 0.000 0.500 35 I N 1.292 121.849 120.570 -0.022 0.000 2.362 35 I HA 0.720 4.889 4.170 -0.003 0.000 0.289 35 I C 0.393 176.509 176.117 -0.002 0.000 0.994 35 I CA -0.138 61.150 61.300 -0.021 0.000 1.158 35 I CB 1.660 39.652 38.000 -0.014 0.000 1.315 35 I HN 0.957 nan 8.210 nan 0.000 0.451 36 A N 4.087 126.906 122.820 -0.002 0.000 2.589 36 A HA 0.637 4.955 4.320 -0.003 0.000 0.296 36 A C -0.018 177.573 177.584 0.012 0.000 1.062 36 A CA -0.481 51.564 52.037 0.015 0.000 0.686 36 A CB 0.962 19.982 19.000 0.033 0.000 1.282 36 A HN 0.738 nan 8.150 nan 0.000 0.404 37 E N 0.186 120.395 120.200 0.015 0.000 2.440 37 E HA -0.266 4.083 4.350 -0.003 0.000 0.246 37 E C 1.094 177.697 176.600 0.005 0.000 1.165 37 E CA 1.602 58.009 56.400 0.012 0.000 0.726 37 E CB -1.412 28.298 29.700 0.017 0.000 1.271 37 E HN 2.456 nan 8.360 nan 0.000 0.397 38 G N -0.570 108.230 108.800 0.001 0.000 2.199 38 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.254 38 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.254 38 G C 0.259 175.153 174.900 -0.010 0.000 0.982 38 G CA 0.652 45.750 45.100 -0.004 0.000 0.632 38 G HN 0.314 nan 8.290 nan 0.000 0.529 39 R N -1.037 119.454 120.500 -0.015 0.000 2.836 39 R HA 0.727 5.065 4.340 -0.003 0.000 0.269 39 R C -0.098 176.174 176.300 -0.047 0.000 1.010 39 R CA -0.945 55.138 56.100 -0.028 0.000 0.930 39 R CB 1.085 31.371 30.300 -0.023 0.000 1.218 39 R HN 0.173 nan 8.270 nan 0.000 0.473 40 M N 2.782 122.337 119.600 -0.075 0.000 2.146 40 M HA 0.331 4.810 4.480 -0.003 0.000 0.352 40 M C -0.908 175.300 176.300 -0.153 0.000 1.343 40 M CA -0.265 54.961 55.300 -0.123 0.000 1.115 40 M CB 0.499 32.996 32.600 -0.172 0.000 1.657 40 M HN 0.560 nan 8.290 nan 0.000 0.471 41 V N 2.477 122.283 119.914 -0.179 0.000 3.181 41 V HA 0.577 4.695 4.120 -0.003 0.000 0.308 41 V C -1.585 174.362 176.094 -0.244 0.000 1.214 41 V CA -1.102 61.106 62.300 -0.155 0.000 1.053 41 V CB 1.592 33.403 31.823 -0.021 0.000 1.069 41 V HN 0.750 nan 8.190 nan 0.000 0.441 42 Y N 0.861 121.176 120.300 0.026 0.000 2.320 42 Y HA 0.785 5.334 4.550 -0.003 0.000 0.324 42 Y C 0.228 176.155 175.900 0.044 0.000 1.190 42 Y CA -0.434 57.693 58.100 0.044 0.000 1.215 42 Y CB 1.505 40.062 38.460 0.161 0.000 1.221 42 Y HN 0.512 nan 8.280 nan 0.000 0.486 43 I N 1.619 122.299 120.570 0.184 0.000 2.498 43 I HA 0.429 4.598 4.170 -0.003 0.000 0.290 43 I C 0.422 176.580 176.117 0.068 0.000 1.032 43 I CA -0.782 60.581 61.300 0.106 0.000 1.073 43 I CB 1.952 39.985 38.000 0.055 0.000 1.251 43 I HN 0.747 nan 8.210 nan 0.000 0.426 44 G N 4.619 113.448 108.800 0.049 0.000 2.527 44 G HA2 0.474 4.432 3.960 -0.003 0.000 0.248 44 G HA3 0.474 4.432 3.960 -0.003 0.000 0.248 44 G C -0.580 174.284 174.900 -0.059 0.000 1.231 44 G CA -0.186 44.925 45.100 0.017 0.000 0.838 44 G HN 0.372 nan 8.290 nan 0.000 0.570 45 V N 2.184 122.069 119.914 -0.048 0.000 2.376 45 V HA 0.743 4.861 4.120 -0.003 0.000 0.287 45 V C 0.854 176.914 176.094 -0.057 0.000 1.015 45 V CA 0.511 62.755 62.300 -0.093 0.000 0.834 45 V CB 0.206 31.986 31.823 -0.070 0.000 1.001 45 V HN 1.797 nan 8.190 nan 0.000 0.428 46 G N 3.803 112.565 108.800 -0.063 0.000 2.741 46 G HA2 0.350 4.309 3.960 -0.003 0.000 0.222 46 G HA3 0.350 4.309 3.960 -0.003 0.000 0.222 46 G C 0.573 175.455 174.900 -0.030 0.000 1.364 46 G CA -0.245 44.824 45.100 -0.052 0.000 0.866 46 G HN 2.272 nan 8.290 nan 0.000 0.555 47 G N -0.569 108.193 108.800 -0.063 0.000 2.574 47 G HA2 0.019 3.978 3.960 -0.003 0.000 0.282 47 G HA3 0.019 3.978 3.960 -0.003 0.000 0.282 47 G C 0.824 175.734 174.900 0.016 0.000 1.257 47 G CA 1.428 46.502 45.100 -0.044 0.000 0.956 47 G HN 2.452 nan 8.290 nan 0.000 0.560 48 D N 0.108 120.544 120.400 0.061 0.000 2.371 48 D HA 0.029 4.668 4.640 -0.003 0.000 0.221 48 D C 2.015 178.368 176.300 0.089 0.000 0.986 48 D CA 1.506 55.555 54.000 0.081 0.000 0.899 48 D CB -0.312 40.550 40.800 0.102 0.000 0.902 48 D HN 1.076 nan 8.370 nan 0.000 0.530 49 I N -3.584 117.044 120.570 0.097 0.000 4.081 49 I HA 0.276 4.445 4.170 -0.003 0.000 0.333 49 I C -0.112 176.043 176.117 0.063 0.000 1.413 49 I CA -0.667 60.684 61.300 0.086 0.000 1.110 49 I CB 0.058 38.119 38.000 0.102 0.000 1.082 49 I HN -0.362 nan 8.210 nan 0.000 0.402 50 D N 2.541 122.973 120.400 0.054 0.000 2.520 50 D HA -0.114 4.524 4.640 -0.003 0.000 0.243 50 D C 0.986 177.351 176.300 0.109 0.000 1.160 50 D CA 1.196 55.215 54.000 0.032 0.000 0.877 50 D CB 0.053 40.896 40.800 0.072 0.000 1.150 50 D HN 0.351 nan 8.370 nan 0.000 0.494 51 H N 0.894 119.988 119.070 0.041 0.000 3.141 51 H HA -0.211 4.344 4.556 -0.003 0.000 0.260 51 H C -0.150 175.205 175.328 0.045 0.000 1.132 51 H CA 1.094 57.166 56.048 0.040 0.000 1.171 51 H CB -0.956 28.825 29.762 0.032 0.000 1.274 51 H HN 0.515 nan 8.280 nan 0.000 0.329 52 K N 0.747 121.219 120.400 0.120 0.000 2.218 52 K HA 0.301 4.619 4.320 -0.003 0.000 0.276 52 K C 0.507 177.166 176.600 0.099 0.000 1.022 52 K CA -0.765 55.582 56.287 0.101 0.000 0.946 52 K CB 1.182 33.732 32.500 0.084 0.000 1.000 52 K HN -0.104 nan 8.250 nan 0.000 0.468 53 I N 2.745 123.370 120.570 0.092 0.000 2.496 53 I HA -0.057 4.111 4.170 -0.003 0.000 0.285 53 I C 0.230 176.416 176.117 0.116 0.000 1.080 53 I CA 0.083 61.441 61.300 0.096 0.000 1.404 53 I CB -0.258 37.783 38.000 0.069 0.000 1.403 53 I HN 0.649 nan 8.210 nan 0.000 0.539 54 N N 4.691 123.499 118.700 0.179 0.000 2.686 54 N HA -0.160 4.579 4.740 -0.003 0.000 0.261 54 N C -2.400 173.214 175.510 0.172 0.000 1.001 54 N CA -0.235 52.947 53.050 0.220 0.000 0.764 54 N CB -1.042 37.517 38.487 0.119 0.000 0.898 54 N HN 0.453 nan 8.380 nan 0.000 0.544 55 P HA 0.060 nan 4.420 nan 0.000 0.274 55 P C -0.176 177.195 177.300 0.117 0.000 1.231 55 P CA 0.035 63.203 63.100 0.113 0.000 0.790 55 P CB 0.764 32.508 31.700 0.073 0.000 0.951 56 T N 3.010 117.594 114.554 0.051 0.000 2.814 56 T HA 0.249 4.598 4.350 -0.003 0.000 0.297 56 T C 0.366 175.011 174.700 -0.092 0.000 0.956 56 T CA -0.153 61.962 62.100 0.025 0.000 1.123 56 T CB -0.240 68.638 68.868 0.017 0.000 0.902 56 T HN 0.180 nan 8.240 nan 0.000 0.528 57 L N 4.458 125.563 121.223 -0.197 0.000 2.261 57 L HA 0.462 4.800 4.340 -0.003 0.000 0.289 57 L C 0.383 177.069 176.870 -0.306 0.000 1.059 57 L CA -0.873 53.585 54.840 -0.637 0.000 0.816 57 L CB 0.682 42.122 42.059 -1.033 0.000 1.191 57 L HN 0.377 nan 8.230 nan 0.000 0.431 58 V N 5.501 125.342 119.914 -0.123 0.000 2.407 58 V HA 0.693 4.811 4.120 -0.003 0.000 0.278 58 V C -0.336 175.841 176.094 0.138 0.000 1.037 58 V CA -0.059 62.254 62.300 0.020 0.000 0.900 58 V CB 1.879 33.707 31.823 0.009 0.000 0.983 58 V HN 0.499 nan 8.190 nan 0.000 0.459 59 V N 5.924 125.856 119.914 0.031 0.000 3.159 59 V HA 0.637 4.756 4.120 -0.003 0.000 0.308 59 V C -0.987 175.038 176.094 -0.115 0.000 1.190 59 V CA -0.727 61.625 62.300 0.086 0.000 1.037 59 V CB 2.693 34.582 31.823 0.110 0.000 1.060 59 V HN 1.013 nan 8.190 nan 0.000 0.437 60 H N 1.077 120.199 119.070 0.085 0.000 2.569 60 H HA 0.367 4.921 4.556 -0.003 0.000 0.357 60 H C -0.437 174.928 175.328 0.061 0.000 1.153 60 H CA -0.561 55.533 56.048 0.078 0.000 1.193 60 H CB 2.075 31.880 29.762 0.071 0.000 1.602 60 H HN 0.734 nan 8.280 nan 0.000 0.523 61 E N 0.624 120.927 120.200 0.173 0.000 2.608 61 E HA -0.011 4.338 4.350 -0.003 0.000 0.259 61 E C 0.760 177.412 176.600 0.087 0.000 0.951 61 E CA 1.165 57.644 56.400 0.131 0.000 0.945 61 E CB 0.151 29.927 29.700 0.127 0.000 0.916 61 E HN 0.964 nan 8.360 nan 0.000 0.477 62 G N 3.639 112.475 108.800 0.059 0.000 2.205 62 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.261 62 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.261 62 G C 0.042 174.919 174.900 -0.038 0.000 0.980 62 G CA 0.400 45.506 45.100 0.010 0.000 0.632 62 G HN 0.633 nan 8.290 nan 0.000 0.533 63 E N 1.132 121.313 120.200 -0.031 0.000 2.392 63 E HA 0.358 4.707 4.350 -0.003 0.000 0.264 63 E C 0.077 176.583 176.600 -0.157 0.000 1.024 63 E CA 0.398 56.753 56.400 -0.076 0.000 0.903 63 E CB 0.439 30.125 29.700 -0.023 0.000 0.963 63 E HN 0.144 nan 8.360 nan 0.000 0.432 64 T N 2.728 117.178 114.554 -0.173 0.000 2.729 64 T HA 0.205 4.553 4.350 -0.003 0.000 0.296 64 T C -0.291 174.209 174.700 -0.333 0.000 0.928 64 T CA -0.481 61.469 62.100 -0.249 0.000 1.045 64 T CB 0.413 69.176 68.868 -0.175 0.000 0.902 64 T HN 0.091 nan 8.240 nan 0.000 0.500 65 V N 4.986 124.547 119.914 -0.588 0.000 2.394 65 V HA 0.401 4.519 4.120 -0.003 0.000 0.282 65 V C 0.158 175.891 176.094 -0.603 0.000 1.031 65 V CA -0.765 61.160 62.300 -0.626 0.000 0.881 65 V CB 1.489 32.720 31.823 -0.987 0.000 0.982 65 V HN 0.788 nan 8.190 nan 0.000 0.451 66 Q N 3.679 123.239 119.800 -0.400 0.000 2.316 66 Q HA 0.680 5.018 4.340 -0.003 0.000 0.264 66 Q C -1.741 174.049 176.000 -0.351 0.000 0.987 66 Q CA -0.486 55.088 55.803 -0.382 0.000 0.852 66 Q CB 2.157 30.731 28.738 -0.274 0.000 1.287 66 Q HN 0.587 nan 8.270 nan 0.000 0.448 67 V N 4.380 123.973 119.914 -0.535 0.000 2.448 67 V HA 0.411 4.529 4.120 -0.003 0.000 0.295 67 V C -0.732 175.210 176.094 -0.253 0.000 1.025 67 V CA -0.987 61.063 62.300 -0.417 0.000 0.859 67 V CB 1.800 33.244 31.823 -0.631 0.000 0.988 67 V HN 0.766 nan 8.190 nan 0.000 0.431 68 N N 4.828 123.463 118.700 -0.109 0.000 2.424 68 N HA 0.470 5.208 4.740 -0.003 0.000 0.271 68 N C -1.023 174.498 175.510 0.019 0.000 0.985 68 N CA -0.368 52.663 53.050 -0.031 0.000 0.921 68 N CB 2.560 41.019 38.487 -0.046 0.000 1.149 68 N HN 0.560 nan 8.380 nan 0.000 0.492 69 L N 2.695 123.968 121.223 0.084 0.000 2.296 69 L HA 0.541 4.879 4.340 -0.003 0.000 0.286 69 L C -1.134 175.796 176.870 0.100 0.000 1.023 69 L CA -0.718 54.192 54.840 0.116 0.000 0.812 69 L CB 1.314 43.482 42.059 0.182 0.000 1.223 69 L HN 0.130 nan 8.230 nan 0.000 0.421 70 V N 4.534 124.504 119.914 0.093 0.000 2.483 70 V HA 0.278 4.396 4.120 -0.003 0.000 0.297 70 V C 0.127 176.275 176.094 0.090 0.000 1.027 70 V CA -0.956 61.389 62.300 0.076 0.000 0.855 70 V CB 1.726 33.577 31.823 0.047 0.000 0.995 70 V HN 0.714 nan 8.190 nan 0.000 0.424 71 N N 3.299 122.063 118.700 0.106 0.000 2.427 71 N HA 0.085 4.823 4.740 -0.003 0.000 0.269 71 N C 1.107 176.674 175.510 0.095 0.000 1.235 71 N CA 0.875 54.008 53.050 0.138 0.000 0.934 71 N CB 1.897 40.478 38.487 0.156 0.000 1.121 71 N HN 0.860 nan 8.380 nan 0.000 0.480 72 G N 2.897 111.744 108.800 0.078 0.000 2.411 72 G HA2 -0.156 3.803 3.960 -0.003 0.000 0.213 72 G HA3 -0.156 3.803 3.960 -0.003 0.000 0.213 72 G C 0.926 175.863 174.900 0.062 0.000 1.166 72 G CA 0.370 45.502 45.100 0.054 0.000 0.802 72 G HN 0.685 nan 8.290 nan 0.000 0.533 73 E N -0.541 119.712 120.200 0.088 0.000 2.572 73 E HA 0.245 4.594 4.350 -0.003 0.000 0.220 73 E C 1.349 177.992 176.600 0.071 0.000 0.945 73 E CA 0.887 57.330 56.400 0.072 0.000 1.070 73 E CB -0.085 29.651 29.700 0.059 0.000 1.090 73 E HN 0.738 nan 8.360 nan 0.000 0.506 74 G N 0.786 109.639 108.800 0.089 0.000 2.179 74 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.220 74 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.220 74 G C 0.556 175.460 174.900 0.008 0.000 0.990 74 G CA 0.144 45.273 45.100 0.048 0.000 0.646 74 G HN 0.724 nan 8.290 nan 0.000 0.517 75 A N -0.283 122.533 122.820 -0.007 0.000 2.272 75 A HA 0.733 5.052 4.320 -0.003 0.000 0.275 75 A C 0.559 177.909 177.584 -0.389 0.000 1.096 75 A CA 0.545 52.495 52.037 -0.145 0.000 0.822 75 A CB 0.477 19.407 19.000 -0.116 0.000 1.088 75 A HN 0.679 nan 8.150 nan 0.000 0.495 76 Q N 0.309 119.902 119.800 -0.346 0.000 2.267 76 Q HA 0.409 4.747 4.340 -0.003 0.000 0.255 76 Q C -1.181 174.550 176.000 -0.449 0.000 0.923 76 Q CA -0.208 55.419 55.803 -0.294 0.000 0.925 76 Q CB 0.362 29.004 28.738 -0.161 0.000 1.195 76 Q HN 0.841 nan 8.270 nan 0.000 0.417 77 H N 1.786 120.897 119.070 0.068 0.000 2.985 77 H HA 0.392 4.946 4.556 -0.003 0.000 0.360 77 H C -1.119 174.249 175.328 0.065 0.000 1.221 77 H CA -0.663 55.441 56.048 0.093 0.000 1.121 77 H CB 1.934 31.766 29.762 0.118 0.000 1.854 77 H HN 0.826 nan 8.280 nan 0.000 0.551 78 D N -0.695 119.845 120.400 0.234 0.000 2.812 78 D HA 0.487 5.126 4.640 -0.003 0.000 0.318 78 D C -1.154 175.261 176.300 0.191 0.000 1.234 78 D CA -0.700 53.379 54.000 0.131 0.000 0.989 78 D CB 1.145 41.943 40.800 -0.003 0.000 1.442 78 D HN 0.208 nan 8.370 nan 0.000 0.537 79 V N -0.263 119.671 119.914 0.034 0.000 2.686 79 V HA 0.579 4.697 4.120 -0.003 0.000 0.306 79 V C -0.724 175.214 176.094 -0.260 0.000 1.065 79 V CA -0.785 61.522 62.300 0.010 0.000 0.894 79 V CB 1.821 33.691 31.823 0.078 0.000 1.004 79 V HN 0.572 nan 8.190 nan 0.000 0.424 80 V N 4.932 124.629 119.914 -0.362 0.000 2.487 80 V HA 0.456 4.575 4.120 -0.003 0.000 0.298 80 V C -0.252 175.633 176.094 -0.348 0.000 1.028 80 V CA -0.715 61.282 62.300 -0.505 0.000 0.860 80 V CB 2.135 33.476 31.823 -0.803 0.000 0.991 80 V HN 0.608 nan 8.190 nan 0.000 0.427 81 V N 3.546 123.355 119.914 -0.176 0.000 2.368 81 V HA 0.216 4.334 4.120 -0.003 0.000 0.266 81 V C 0.212 176.321 176.094 0.025 0.000 1.045 81 V CA -0.411 61.856 62.300 -0.055 0.000 0.899 81 V CB 1.250 32.917 31.823 -0.259 0.000 1.006 81 V HN 0.938 nan 8.190 nan 0.000 0.470 82 D N 4.117 124.637 120.400 0.201 0.000 2.493 82 D HA 0.119 4.758 4.640 -0.003 0.000 0.240 82 D C 0.979 177.396 176.300 0.195 0.000 1.142 82 D CA 0.993 55.152 54.000 0.264 0.000 0.872 82 D CB 0.551 41.551 40.800 0.334 0.000 1.173 82 D HN 0.715 nan 8.370 nan 0.000 0.467 83 Q N 1.253 121.114 119.800 0.102 0.000 3.505 83 Q HA -0.340 3.998 4.340 -0.003 0.000 0.190 83 Q C 0.913 176.794 176.000 -0.198 0.000 1.642 83 Q CA 1.536 57.327 55.803 -0.021 0.000 0.959 83 Q CB -1.453 27.331 28.738 0.077 0.000 0.844 83 Q HN 0.688 nan 8.270 nan 0.000 0.983 84 Y N -0.320 119.855 120.300 -0.208 0.000 2.523 84 Y HA 0.324 4.873 4.550 -0.002 0.000 0.279 84 Y C 1.471 177.272 175.900 -0.166 0.000 1.139 84 Y CA 0.889 58.829 58.100 -0.266 0.000 1.296 84 Y CB 0.636 38.769 38.460 -0.545 0.000 1.045 84 Y HN 0.377 nan 8.280 nan 0.000 0.538 85 A N -0.087 122.730 122.820 -0.005 0.000 2.847 85 A HA -0.150 4.169 4.320 -0.003 0.000 0.263 85 A C 0.664 178.228 177.584 -0.033 0.000 1.391 85 A CA 0.591 52.618 52.037 -0.016 0.000 0.866 85 A CB -1.980 17.019 19.000 -0.001 0.000 1.057 85 A HN 0.530 nan 8.150 nan 0.000 0.673 86 A N -0.363 122.418 122.820 -0.065 0.000 2.312 86 A HA 0.874 5.193 4.320 -0.003 0.000 0.326 86 A C 0.318 177.730 177.584 -0.288 0.000 1.172 86 A CA 0.179 52.197 52.037 -0.031 0.000 0.821 86 A CB 0.653 19.725 19.000 0.119 0.000 1.166 86 A HN 1.792 nan 8.150 nan 0.000 0.493 87 R N 0.331 120.481 120.500 -0.583 0.000 2.692 87 R HA 0.635 4.974 4.340 -0.003 0.000 0.269 87 R C -0.491 175.055 176.300 -1.257 0.000 1.030 87 R CA -0.147 55.349 56.100 -1.007 0.000 0.882 87 R CB 0.889 30.898 30.300 -0.485 0.000 1.250 87 R HN 0.780 nan 8.270 nan 0.000 0.465 88 S N 1.166 116.158 115.700 -1.179 0.000 2.632 88 S HA 0.660 5.129 4.470 -0.003 0.000 0.267 88 S C 0.600 175.062 174.600 -0.231 0.000 1.276 88 S CA -0.382 57.529 58.200 -0.482 0.000 0.998 88 S CB 1.190 64.322 63.200 -0.114 0.000 0.953 88 S HN 0.879 nan 8.310 nan 0.000 0.547 89 A N 1.218 123.986 122.820 -0.086 0.000 2.386 89 A HA 0.458 4.777 4.320 -0.003 0.000 0.246 89 A C 0.431 178.001 177.584 -0.024 0.000 1.089 89 A CA -0.645 51.363 52.037 -0.048 0.000 0.790 89 A CB -0.468 18.524 19.000 -0.012 0.000 1.042 89 A HN 0.834 nan 8.150 nan 0.000 0.497 90 I N 0.508 121.067 120.570 -0.019 0.000 2.588 90 I HA 0.257 4.425 4.170 -0.003 0.000 0.283 90 I C -0.037 176.093 176.117 0.022 0.000 1.119 90 I CA -0.074 61.228 61.300 0.002 0.000 1.419 90 I CB 1.098 39.088 38.000 -0.018 0.000 1.394 90 I HN 0.452 nan 8.210 nan 0.000 0.562 91 V N 3.555 123.498 119.914 0.048 0.000 2.350 91 V HA 0.448 4.566 4.120 -0.003 0.000 0.285 91 V C 0.044 176.165 176.094 0.045 0.000 1.014 91 V CA -0.613 61.725 62.300 0.064 0.000 0.831 91 V CB 1.091 32.977 31.823 0.104 0.000 1.000 91 V HN 0.724 nan 8.190 nan 0.000 0.433 92 N N 3.740 122.454 118.700 0.023 0.000 2.511 92 N HA 0.190 4.928 4.740 -0.003 0.000 0.190 92 N C 0.959 176.474 175.510 0.008 0.000 1.037 92 N CA 1.055 54.104 53.050 -0.001 0.000 0.895 92 N CB 0.698 39.180 38.487 -0.008 0.000 1.149 92 N HN 0.805 nan 8.380 nan 0.000 0.437 93 G N 0.810 109.623 108.800 0.021 0.000 2.488 93 G HA2 0.291 4.249 3.960 -0.003 0.000 0.318 93 G HA3 0.291 4.249 3.960 -0.003 0.000 0.318 93 G C -0.378 174.549 174.900 0.044 0.000 1.188 93 G CA -0.443 44.673 45.100 0.026 0.000 0.944 93 G HN 0.059 nan 8.290 nan 0.000 0.495 94 K N 0.380 120.806 120.400 0.044 0.000 2.511 94 K HA -0.039 4.279 4.320 -0.003 0.000 0.280 94 K C 0.545 177.172 176.600 0.046 0.000 1.008 94 K CA 0.718 57.035 56.287 0.051 0.000 1.050 94 K CB 0.068 32.593 32.500 0.041 0.000 0.889 94 K HN 0.557 nan 8.250 nan 0.000 0.484 95 N N 0.071 118.802 118.700 0.051 0.000 2.941 95 N HA -0.186 4.552 4.740 -0.003 0.000 0.201 95 N C -0.748 174.788 175.510 0.044 0.000 0.944 95 N CA 1.395 54.471 53.050 0.043 0.000 1.027 95 N CB -1.599 36.908 38.487 0.033 0.000 0.992 95 N HN 0.696 nan 8.380 nan 0.000 0.585 96 A N 0.673 123.522 122.820 0.049 0.000 2.511 96 A HA 0.526 4.844 4.320 -0.003 0.000 0.242 96 A C 0.437 178.057 177.584 0.059 0.000 1.069 96 A CA 0.852 52.917 52.037 0.047 0.000 0.763 96 A CB 0.323 19.350 19.000 0.045 0.000 1.001 96 A HN 0.232 nan 8.150 nan 0.000 0.498 97 S N 0.204 115.934 115.700 0.051 0.000 2.569 97 S HA 0.762 5.231 4.470 -0.003 0.000 0.280 97 S C -0.493 174.142 174.600 0.059 0.000 1.111 97 S CA -0.512 57.722 58.200 0.057 0.000 0.887 97 S CB 1.865 65.089 63.200 0.039 0.000 1.095 97 S HN 1.143 nan 8.310 nan 0.000 0.476 98 S N 0.762 116.509 115.700 0.079 0.000 2.546 98 S HA 0.726 5.194 4.470 -0.003 0.000 0.272 98 S C -1.323 173.359 174.600 0.137 0.000 1.140 98 S CA -0.342 57.913 58.200 0.093 0.000 0.920 98 S CB 1.724 64.978 63.200 0.090 0.000 1.083 98 S HN 0.599 nan 8.310 nan 0.000 0.476 99 T N 4.232 118.866 114.554 0.133 0.000 2.863 99 T HA 0.829 5.177 4.350 -0.003 0.000 0.285 99 T C -1.323 173.513 174.700 0.228 0.000 1.009 99 T CA -0.382 61.788 62.100 0.115 0.000 0.989 99 T CB 0.607 69.492 68.868 0.029 0.000 1.004 99 T HN 0.640 nan 8.240 nan 0.000 0.455 100 F N 0.229 120.170 119.950 -0.016 0.000 2.741 100 F HA 0.833 5.358 4.527 -0.003 0.000 0.313 100 F C -0.793 175.009 175.800 0.003 0.000 1.153 100 F CA -1.165 56.835 58.000 0.001 0.000 0.931 100 F CB 0.892 39.904 39.000 0.020 0.000 1.335 100 F HN 0.548 nan 8.300 nan 0.000 0.460 101 S N 0.880 116.592 115.700 0.021 0.000 2.651 101 S HA 0.948 5.416 4.470 -0.003 0.000 0.279 101 S C -1.379 173.299 174.600 0.129 0.000 1.148 101 S CA -0.621 57.492 58.200 -0.145 0.000 0.837 101 S CB 2.426 65.528 63.200 -0.163 0.000 1.138 101 S HN 1.700 nan 8.310 nan 0.000 0.478 102 F N -1.836 118.042 119.950 -0.120 0.000 2.703 102 F HA 0.735 5.261 4.527 -0.003 0.000 0.308 102 F C -1.794 173.911 175.800 -0.159 0.000 1.126 102 F CA -1.374 56.566 58.000 -0.099 0.000 0.959 102 F CB 0.698 39.630 39.000 -0.113 0.000 1.297 102 F HN 0.460 nan 8.300 nan 0.000 0.441 103 V N 2.417 122.333 119.914 0.004 0.000 2.461 103 V HA 0.574 4.692 4.120 -0.003 0.000 0.275 103 V C 0.643 176.749 176.094 0.020 0.000 1.047 103 V CA -0.187 62.076 62.300 -0.062 0.000 0.955 103 V CB 1.057 32.888 31.823 0.015 0.000 0.988 103 V HN 1.062 nan 8.190 nan 0.000 0.471 104 A N 3.813 126.574 122.820 -0.097 0.000 3.063 104 A HA 0.291 4.609 4.320 -0.003 0.000 0.263 104 A C 1.504 179.199 177.584 0.186 0.000 1.736 104 A CA 0.288 52.325 52.037 -0.000 0.000 1.408 104 A CB -0.481 18.493 19.000 -0.043 0.000 1.108 104 A HN 1.027 nan 8.150 nan 0.000 0.621 105 S N 0.279 116.166 115.700 0.311 0.000 2.522 105 S HA 0.034 4.503 4.470 -0.003 0.000 0.227 105 S C 0.524 175.242 174.600 0.196 0.000 0.986 105 S CA 0.371 58.697 58.200 0.209 0.000 0.929 105 S CB -0.187 63.117 63.200 0.173 0.000 0.769 105 S HN 0.621 nan 8.310 nan 0.000 0.529 106 K N 1.673 122.237 120.400 0.273 0.000 2.502 106 K HA 0.560 4.878 4.320 -0.003 0.000 0.254 106 K C -1.101 175.726 176.600 0.379 0.000 0.947 106 K CA -0.708 55.715 56.287 0.227 0.000 0.834 106 K CB 2.306 34.852 32.500 0.077 0.000 1.112 106 K HN -0.073 nan 8.250 nan 0.000 0.427 107 V N 2.277 122.359 119.914 0.281 0.000 2.901 107 V HA 0.375 4.493 4.120 -0.003 0.000 0.307 107 V C 0.984 177.254 176.094 0.294 0.000 1.084 107 V CA 1.039 63.499 62.300 0.266 0.000 1.184 107 V CB 0.651 32.562 31.823 0.147 0.000 0.941 107 V HN 1.075 nan 8.190 nan 0.000 0.493 108 G N 3.576 112.495 108.800 0.197 0.000 2.357 108 G HA2 0.169 4.128 3.960 -0.003 0.000 0.289 108 G HA3 0.169 4.128 3.960 -0.003 0.000 0.289 108 G C -1.228 173.482 174.900 -0.317 0.000 1.302 108 G CA -0.392 44.616 45.100 -0.154 0.000 0.936 108 G HN 0.788 nan 8.290 nan 0.000 0.513 109 E N -0.644 119.153 120.200 -0.672 0.000 2.199 109 E HA 0.716 5.064 4.350 -0.003 0.000 0.269 109 E C -1.469 174.697 176.600 -0.724 0.000 0.899 109 E CA -0.783 55.366 56.400 -0.418 0.000 0.772 109 E CB 1.206 30.783 29.700 -0.204 0.000 1.155 109 E HN 0.343 nan 8.360 nan 0.000 0.408 110 F N 1.888 121.894 119.950 0.093 0.000 2.561 110 F HA 0.342 4.868 4.527 -0.003 0.000 0.313 110 F C 0.044 175.906 175.800 0.103 0.000 1.126 110 F CA -0.901 57.164 58.000 0.110 0.000 0.918 110 F CB 1.537 40.651 39.000 0.190 0.000 1.199 110 F HN 0.356 nan 8.300 nan 0.000 0.444 111 N N 1.396 120.242 118.700 0.242 0.000 2.518 111 N HA 0.294 5.032 4.740 -0.003 0.000 0.266 111 N C -1.348 174.326 175.510 0.275 0.000 1.196 111 N CA -0.439 52.710 53.050 0.165 0.000 0.947 111 N CB 0.710 39.273 38.487 0.127 0.000 1.098 111 N HN 0.612 nan 8.380 nan 0.000 0.450 112 Y N 0.384 120.785 120.300 0.169 0.000 2.446 112 Y HA 0.652 5.200 4.550 -0.003 0.000 0.338 112 Y C -0.824 175.201 175.900 0.208 0.000 1.055 112 Y CA -1.267 56.886 58.100 0.088 0.000 1.101 112 Y CB 0.687 39.111 38.460 -0.060 0.000 1.221 112 Y HN 0.558 nan 8.280 nan 0.000 0.460 113 Y N 0.429 120.871 120.300 0.237 0.000 2.689 113 Y HA 0.597 5.145 4.550 -0.003 0.000 0.333 113 Y C -1.449 174.668 175.900 0.361 0.000 1.208 113 Y CA -2.269 55.990 58.100 0.264 0.000 1.055 113 Y CB 0.571 39.104 38.460 0.122 0.000 1.304 113 Y HN 1.019 nan 8.280 nan 0.000 0.455 114 C N 2.279 121.875 119.300 0.495 0.000 2.369 114 C HA 0.542 5.001 4.460 -0.003 0.000 0.358 114 C C 1.550 176.739 174.990 0.332 0.000 1.274 114 C CA 0.484 59.707 59.018 0.342 0.000 1.935 114 C CB 0.110 28.052 27.740 0.336 0.000 2.431 114 C HN 0.987 nan 8.230 nan 0.000 0.545 115 S N 5.615 121.413 115.700 0.163 0.000 2.593 115 S HA 0.173 4.641 4.470 -0.003 0.000 0.217 115 S C 0.551 175.187 174.600 0.061 0.000 0.966 115 S CA 0.007 58.318 58.200 0.185 0.000 0.914 115 S CB -0.300 62.951 63.200 0.086 0.000 0.776 115 S HN 0.688 nan 8.310 nan 0.000 0.523 116 I N 2.994 123.538 120.570 -0.043 0.000 2.634 116 I HA 0.259 4.428 4.170 -0.003 0.000 0.284 116 I C 1.104 177.073 176.117 -0.247 0.000 1.124 116 I CA -0.703 60.443 61.300 -0.258 0.000 1.417 116 I CB -0.214 37.442 38.000 -0.572 0.000 1.396 116 I HN 0.293 nan 8.210 nan 0.000 0.571 117 A N 4.781 127.497 122.820 -0.172 0.000 2.561 117 A HA 0.380 4.698 4.320 -0.003 0.000 0.251 117 A C 1.347 178.940 177.584 0.015 0.000 1.062 117 A CA 0.716 52.719 52.037 -0.055 0.000 0.761 117 A CB -0.553 18.423 19.000 -0.039 0.000 0.986 117 A HN 1.374 nan 8.150 nan 0.000 0.510 118 G N 1.547 110.395 108.800 0.080 0.000 2.268 118 G HA2 -0.306 3.653 3.960 -0.003 0.000 0.240 118 G HA3 -0.306 3.653 3.960 -0.003 0.000 0.240 118 G C 0.883 175.920 174.900 0.229 0.000 1.010 118 G CA 0.854 46.040 45.100 0.142 0.000 0.618 118 G HN 0.938 nan 8.290 nan 0.000 0.516 119 H N -0.059 119.044 119.070 0.054 0.000 2.363 119 H HA 0.090 4.644 4.556 -0.003 0.000 0.301 119 H C 2.745 178.111 175.328 0.063 0.000 1.074 119 H CA 0.914 57.002 56.048 0.066 0.000 1.354 119 H CB 0.102 29.929 29.762 0.108 0.000 1.397 119 H HN 0.308 nan 8.280 nan 0.000 0.516 120 R N 1.347 121.978 120.500 0.220 0.000 2.083 120 R HA -0.185 4.154 4.340 -0.003 0.000 0.237 120 R C 2.141 178.482 176.300 0.069 0.000 1.137 120 R CA 1.824 58.012 56.100 0.148 0.000 0.951 120 R CB -0.044 30.318 30.300 0.104 0.000 0.851 120 R HN 0.488 nan 8.270 nan 0.000 0.434 121 Q N -0.711 119.122 119.800 0.055 0.000 2.124 121 Q HA -0.101 4.238 4.340 -0.003 0.000 0.202 121 Q C 1.941 177.952 176.000 0.020 0.000 0.977 121 Q CA 1.594 57.412 55.803 0.026 0.000 0.850 121 Q CB -0.093 28.659 28.738 0.023 0.000 0.901 121 Q HN 0.384 nan 8.270 nan 0.000 0.429 122 A N -0.161 122.675 122.820 0.027 0.000 2.168 122 A HA 0.162 4.480 4.320 -0.003 0.000 0.215 122 A C 1.583 179.153 177.584 -0.024 0.000 1.152 122 A CA 1.238 53.270 52.037 -0.008 0.000 0.716 122 A CB -0.132 18.843 19.000 -0.042 0.000 0.794 122 A HN 0.503 nan 8.150 nan 0.000 0.465 123 G N -2.414 106.382 108.800 -0.008 0.000 2.425 123 G HA2 -0.105 3.854 3.960 -0.003 0.000 0.177 123 G HA3 -0.105 3.854 3.960 -0.003 0.000 0.177 123 G C 0.240 175.137 174.900 -0.005 0.000 0.999 123 G CA -0.078 45.015 45.100 -0.012 0.000 0.723 123 G HN 0.234 nan 8.290 nan 0.000 0.491 124 M N 1.796 121.392 119.600 -0.006 0.000 3.237 124 M HA 0.459 4.937 4.480 -0.003 0.000 0.266 124 M C -0.043 176.403 176.300 0.244 0.000 1.456 124 M CA 0.595 55.880 55.300 -0.024 0.000 1.593 124 M CB 0.109 32.588 32.600 -0.201 0.000 1.129 124 M HN 0.357 nan 8.290 nan 0.000 0.547 125 E N 0.741 121.056 120.200 0.193 0.000 2.335 125 E HA 0.693 5.042 4.350 -0.003 0.000 0.280 125 E C -1.209 175.257 176.600 -0.224 0.000 0.918 125 E CA -0.528 55.900 56.400 0.046 0.000 0.765 125 E CB 2.142 31.855 29.700 0.020 0.000 1.218 125 E HN 0.558 nan 8.360 nan 0.000 0.425 126 G N 2.144 110.434 108.800 -0.851 0.000 3.021 126 G HA2 0.446 4.405 3.960 -0.003 0.000 0.290 126 G HA3 0.446 4.405 3.960 -0.003 0.000 0.290 126 G C -1.237 173.253 174.900 -0.684 0.000 1.291 126 G CA -0.636 43.962 45.100 -0.835 0.000 0.834 126 G HN 0.459 nan 8.290 nan 0.000 0.564 127 N N -0.493 118.054 118.700 -0.254 0.000 2.269 127 N HA 0.523 5.262 4.740 -0.003 0.000 0.304 127 N C -1.102 174.533 175.510 0.207 0.000 1.072 127 N CA -0.370 52.687 53.050 0.012 0.000 0.802 127 N CB 2.493 40.983 38.487 0.005 0.000 1.348 127 N HN 0.318 nan 8.380 nan 0.000 0.484 128 I N 1.296 122.023 120.570 0.262 0.000 2.359 128 I HA 0.229 4.397 4.170 -0.003 0.000 0.294 128 I C 0.277 176.534 176.117 0.233 0.000 0.987 128 I CA -0.427 61.004 61.300 0.220 0.000 1.225 128 I CB 1.284 39.451 38.000 0.279 0.000 1.366 128 I HN 0.151 nan 8.210 nan 0.000 0.466 129 Q N 5.158 125.037 119.800 0.132 0.000 2.368 129 Q HA 0.425 4.763 4.340 -0.003 0.000 0.263 129 Q C -1.202 174.872 176.000 0.122 0.000 1.009 129 Q CA -0.627 55.245 55.803 0.114 0.000 0.818 129 Q CB 2.225 30.982 28.738 0.032 0.000 1.239 129 Q HN 0.454 nan 8.270 nan 0.000 0.464 130 V N 5.605 125.661 119.914 0.237 0.000 2.334 130 V HA 0.281 4.400 4.120 -0.003 0.000 0.267 130 V C 0.073 176.227 176.094 0.101 0.000 1.040 130 V CA -0.350 62.069 62.300 0.198 0.000 0.866 130 V CB 0.328 32.377 31.823 0.378 0.000 1.019 130 V HN 0.648 nan 8.190 nan 0.000 0.468 131 L N 7.706 128.896 121.223 -0.054 0.000 2.360 131 L HA 0.545 4.883 4.340 -0.003 0.000 0.271 131 L C -1.965 174.935 176.870 0.050 0.000 1.057 131 L CA -1.882 52.917 54.840 -0.067 0.000 0.803 131 L CB 1.766 43.673 42.059 -0.253 0.000 1.207 131 L HN 0.377 nan 8.230 nan 0.000 0.445 132 P HA 0.242 nan 4.420 nan 0.000 0.274 132 P C 0.130 177.560 177.300 0.216 0.000 1.256 132 P CA 0.267 63.449 63.100 0.137 0.000 0.795 132 P CB 0.860 32.619 31.700 0.098 0.000 1.038 133 G N 0.746 109.647 108.800 0.169 0.000 2.693 133 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.226 133 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.226 133 G C -0.841 174.133 174.900 0.123 0.000 1.354 133 G CA -0.611 44.574 45.100 0.142 0.000 0.873 133 G HN 0.679 nan 8.290 nan 0.000 0.562 134 N N 0.121 118.812 118.700 -0.015 0.000 2.443 134 N HA 0.480 5.219 4.740 -0.003 0.000 0.295 134 N C 0.630 175.838 175.510 -0.504 0.000 1.076 134 N CA -0.641 52.318 53.050 -0.151 0.000 0.919 134 N CB 1.572 40.045 38.487 -0.023 0.000 1.176 134 N HN 0.800 nan 8.380 nan 0.000 0.487 135 R N 0.937 121.029 120.500 -0.682 0.000 2.523 135 R HA 0.060 4.399 4.340 -0.003 0.000 0.281 135 R C 0.083 176.257 176.300 -0.210 0.000 0.969 135 R CA -0.093 55.675 56.100 -0.552 0.000 1.093 135 R CB 0.153 30.375 30.300 -0.129 0.000 0.917 135 R HN 0.662 nan 8.270 nan 0.000 0.408 136 A N 4.493 127.240 122.820 -0.122 0.000 2.520 136 A HA 0.028 4.346 4.320 -0.003 0.000 0.235 136 A C -0.136 177.409 177.584 -0.066 0.000 1.065 136 A CA -0.166 51.840 52.037 -0.052 0.000 0.764 136 A CB 0.187 19.185 19.000 -0.003 0.000 1.002 136 A HN 0.774 nan 8.150 nan 0.000 0.502 137 E N 1.348 121.512 120.200 -0.060 0.000 2.422 137 E HA 0.109 4.458 4.350 -0.003 0.000 0.260 137 E C 0.196 176.758 176.600 -0.064 0.000 1.108 137 E CA 0.135 56.488 56.400 -0.078 0.000 0.943 137 E CB 0.244 29.907 29.700 -0.061 0.000 0.961 137 E HN 0.628 nan 8.360 nan 0.000 0.443 138 M N 1.864 121.417 119.600 -0.078 0.000 2.250 138 M HA 0.014 4.493 4.480 -0.003 0.000 0.337 138 M C 0.441 176.717 176.300 -0.040 0.000 1.161 138 M CA 0.973 56.238 55.300 -0.058 0.000 1.088 138 M CB -0.063 32.497 32.600 -0.067 0.000 1.639 138 M HN 0.321 nan 8.290 nan 0.000 0.447 139 K N 0.632 121.016 120.400 -0.026 0.000 2.536 139 K HA 0.850 5.168 4.320 -0.003 0.000 0.269 139 K C -1.245 175.349 176.600 -0.009 0.000 0.965 139 K CA -0.949 55.329 56.287 -0.015 0.000 0.860 139 K CB 2.027 34.523 32.500 -0.008 0.000 1.423 139 K HN 0.777 nan 8.250 nan 0.000 0.438 140 S N -0.784 114.914 115.700 -0.003 0.000 2.683 140 S HA 0.231 4.699 4.470 -0.003 0.000 0.269 140 S C -0.056 174.549 174.600 0.008 0.000 1.165 140 S CA -0.324 57.878 58.200 0.003 0.000 0.840 140 S CB 0.686 63.889 63.200 0.006 0.000 1.169 140 S HN 0.872 nan 8.310 nan 0.000 0.490 141 S N -0.460 115.247 115.700 0.012 0.000 2.650 141 S HA 0.392 4.861 4.470 -0.003 0.000 0.219 141 S C 0.893 175.504 174.600 0.017 0.000 0.960 141 S CA -0.043 58.165 58.200 0.013 0.000 0.925 141 S CB -0.873 62.335 63.200 0.014 0.000 0.775 141 S HN 1.269 nan 8.310 nan 0.000 0.525 142 G N 0.703 109.516 108.800 0.021 0.000 2.451 142 G HA2 0.634 4.592 3.960 -0.003 0.000 0.303 142 G HA3 0.634 4.592 3.960 -0.003 0.000 0.303 142 G C -0.027 174.880 174.900 0.012 0.000 1.166 142 G CA -0.529 44.589 45.100 0.029 0.000 0.884 142 G HN 0.542 nan 8.290 nan 0.000 0.514 143 A N 0.589 123.413 122.820 0.006 0.000 2.406 143 A HA 0.389 4.707 4.320 -0.003 0.000 0.243 143 A C 0.315 177.877 177.584 -0.036 0.000 1.082 143 A CA -0.155 51.874 52.037 -0.013 0.000 0.786 143 A CB 0.340 19.328 19.000 -0.019 0.000 1.029 143 A HN 0.636 nan 8.150 nan 0.000 0.495 144 D N 0.743 121.127 120.400 -0.026 0.000 2.338 144 D HA 0.266 4.905 4.640 -0.003 0.000 0.255 144 D C 0.475 176.735 176.300 -0.067 0.000 1.237 144 D CA -0.231 53.751 54.000 -0.029 0.000 0.883 144 D CB 0.172 40.987 40.800 0.025 0.000 1.087 144 D HN 0.337 nan 8.370 nan 0.000 0.485 145 I N 0.823 121.295 120.570 -0.164 0.000 3.941 145 I HA 0.208 4.376 4.170 -0.003 0.000 0.335 145 I C 0.549 176.564 176.117 -0.171 0.000 1.402 145 I CA -0.641 60.518 61.300 -0.235 0.000 1.112 145 I CB -0.701 36.980 38.000 -0.531 0.000 1.043 145 I HN 0.195 nan 8.210 nan 0.000 0.395 146 T N -0.582 113.936 114.554 -0.060 0.000 2.869 146 T HA 0.441 4.789 4.350 -0.003 0.000 0.295 146 T C 0.181 174.884 174.700 0.006 0.000 0.987 146 T CA -0.563 61.544 62.100 0.011 0.000 1.109 146 T CB 1.212 70.165 68.868 0.142 0.000 0.932 146 T HN 0.372 nan 8.240 nan 0.000 0.518 147 R N 2.485 122.973 120.500 -0.021 0.000 2.347 147 R HA 0.136 4.475 4.340 -0.003 0.000 0.304 147 R C 0.024 176.290 176.300 -0.057 0.000 1.072 147 R CA -0.332 55.744 56.100 -0.041 0.000 0.980 147 R CB 0.206 30.456 30.300 -0.084 0.000 0.986 147 R HN 0.758 nan 8.270 nan 0.000 0.448 148 D N 5.685 125.990 120.400 -0.158 0.000 2.390 148 D HA 0.030 4.668 4.640 -0.003 0.000 0.249 148 D C -1.547 174.794 176.300 0.068 0.000 1.144 148 D CA -1.789 52.104 54.000 -0.178 0.000 0.880 148 D CB 1.476 42.113 40.800 -0.271 0.000 1.182 148 D HN 0.405 nan 8.370 nan 0.000 0.451 149 P HA -0.026 nan 4.420 nan 0.000 0.234 149 P C 0.487 178.037 177.300 0.416 0.000 1.167 149 P CA 0.409 63.679 63.100 0.283 0.000 0.763 149 P CB 0.263 32.112 31.700 0.249 0.000 0.835 150 A N -0.416 122.590 122.820 0.311 0.000 2.308 150 A HA 0.062 4.380 4.320 -0.003 0.000 0.217 150 A C 0.958 178.593 177.584 0.085 0.000 1.216 150 A CA 0.089 52.235 52.037 0.181 0.000 0.864 150 A CB -0.687 18.419 19.000 0.176 0.000 0.902 150 A HN -0.025 nan 8.150 nan 0.000 0.499 151 D N 1.512 121.988 120.400 0.127 0.000 2.558 151 D HA 0.392 5.031 4.640 -0.003 0.000 0.221 151 D C -0.196 176.179 176.300 0.126 0.000 1.143 151 D CA 0.090 54.151 54.000 0.102 0.000 1.010 151 D CB -0.614 40.244 40.800 0.097 0.000 1.068 151 D HN 0.483 nan 8.370 nan 0.000 0.511 152 L N -0.095 121.116 121.223 -0.019 0.000 2.469 152 L HA 0.786 5.124 4.340 -0.003 0.000 0.256 152 L C -2.715 174.046 176.870 -0.182 0.000 1.006 152 L CA -1.821 52.912 54.840 -0.179 0.000 0.832 152 L CB 1.603 43.276 42.059 -0.643 0.000 1.421 152 L HN -0.174 nan 8.230 nan 0.000 0.410 153 P HA 0.299 nan 4.420 nan 0.000 0.271 153 P C -0.069 177.127 177.300 -0.173 0.000 1.218 153 P CA 0.027 63.055 63.100 -0.119 0.000 0.780 153 P CB 1.091 32.761 31.700 -0.050 0.000 0.901 154 G N 1.890 110.622 108.800 -0.112 0.000 2.543 154 G HA2 0.419 4.377 3.960 -0.003 0.000 0.290 154 G HA3 0.419 4.377 3.960 -0.003 0.000 0.290 154 G C -2.547 172.315 174.900 -0.063 0.000 1.310 154 G CA -1.473 43.569 45.100 -0.096 0.000 1.025 154 G HN 0.331 nan 8.290 nan 0.000 0.502 155 P HA -0.008 nan 4.420 nan 0.000 0.264 155 P C 0.984 178.270 177.300 -0.023 0.000 1.173 155 P CA 0.114 63.203 63.100 -0.017 0.000 0.761 155 P CB 0.639 32.332 31.700 -0.012 0.000 0.794 156 I N 1.353 121.914 120.570 -0.016 0.000 2.264 156 I HA -0.150 4.019 4.170 -0.003 0.000 0.248 156 I C 1.233 177.338 176.117 -0.021 0.000 1.111 156 I CA 1.732 63.019 61.300 -0.021 0.000 1.382 156 I CB -0.805 37.184 38.000 -0.019 0.000 1.060 156 I HN 0.699 nan 8.210 nan 0.000 0.418 157 G N 0.727 109.517 108.800 -0.015 0.000 2.730 157 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.686 157 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.686 157 G C -2.381 172.511 174.900 -0.013 0.000 1.343 157 G CA -0.588 44.503 45.100 -0.015 0.000 0.826 157 G HN 0.105 nan 8.290 nan 0.000 0.582 158 P HA 0.112 nan 4.420 nan 0.000 0.237 158 P C 0.751 178.043 177.300 -0.013 0.000 1.701 158 P CA 0.043 63.137 63.100 -0.010 0.000 0.955 158 P CB -0.145 31.550 31.700 -0.008 0.000 1.937 159 R N 0.748 121.237 120.500 -0.017 0.000 2.827 159 R HA 0.129 4.467 4.340 -0.003 0.000 0.269 159 R C 0.723 177.011 176.300 -0.020 0.000 1.048 159 R CA -0.074 56.013 56.100 -0.021 0.000 1.173 159 R CB 0.343 30.627 30.300 -0.027 0.000 1.070 159 R HN 0.238 nan 8.270 nan 0.000 0.498 160 Q N 0.239 120.025 119.800 -0.023 0.000 2.256 160 Q HA 0.330 4.668 4.340 -0.003 0.000 0.232 160 Q C -0.756 175.225 176.000 -0.032 0.000 0.965 160 Q CA -0.072 55.717 55.803 -0.024 0.000 0.908 160 Q CB 1.356 30.080 28.738 -0.023 0.000 1.209 160 Q HN 0.689 nan 8.270 nan 0.000 0.489 161 A N 2.439 125.239 122.820 -0.034 0.000 2.531 161 A HA 0.366 4.685 4.320 -0.003 0.000 0.236 161 A C -0.238 177.314 177.584 -0.053 0.000 1.062 161 A CA 0.291 52.301 52.037 -0.045 0.000 0.760 161 A CB -0.094 18.880 19.000 -0.044 0.000 0.995 161 A HN 0.656 nan 8.150 nan 0.000 0.501 162 K N 0.306 120.665 120.400 -0.069 0.000 2.250 162 K HA 0.632 4.951 4.320 -0.003 0.000 0.261 162 K C -1.170 175.369 176.600 -0.101 0.000 1.047 162 K CA -0.814 55.428 56.287 -0.075 0.000 0.884 162 K CB 0.798 33.258 32.500 -0.066 0.000 1.476 162 K HN 0.332 nan 8.250 nan 0.000 0.445 163 T N 1.392 115.887 114.554 -0.099 0.000 2.733 163 T HA 0.340 4.689 4.350 -0.003 0.000 0.294 163 T C -0.607 174.020 174.700 -0.121 0.000 0.956 163 T CA -0.576 61.451 62.100 -0.122 0.000 0.987 163 T CB 0.812 69.619 68.868 -0.101 0.000 0.920 163 T HN 0.280 nan 8.240 nan 0.000 0.470 164 V N 4.482 124.301 119.914 -0.159 0.000 2.435 164 V HA 0.462 4.580 4.120 -0.003 0.000 0.290 164 V C 0.410 176.412 176.094 -0.154 0.000 1.030 164 V CA -0.940 61.270 62.300 -0.149 0.000 0.881 164 V CB 1.692 33.413 31.823 -0.170 0.000 0.983 164 V HN 0.682 nan 8.190 nan 0.000 0.445 165 R N 4.635 125.071 120.500 -0.107 0.000 2.265 165 R HA 0.613 4.951 4.340 -0.003 0.000 0.319 165 R C -1.185 175.068 176.300 -0.079 0.000 1.006 165 R CA -0.405 55.651 56.100 -0.073 0.000 0.880 165 R CB 0.807 31.073 30.300 -0.056 0.000 1.077 165 R HN 0.645 nan 8.270 nan 0.000 0.454 166 I N 3.398 123.929 120.570 -0.065 0.000 2.433 166 I HA 0.234 4.402 4.170 -0.003 0.000 0.292 166 I C -0.871 175.262 176.117 0.025 0.000 1.001 166 I CA -0.721 60.547 61.300 -0.053 0.000 1.119 166 I CB 2.205 40.134 38.000 -0.120 0.000 1.289 166 I HN 0.522 nan 8.210 nan 0.000 0.438 167 D N 7.193 127.604 120.400 0.019 0.000 2.440 167 D HA 0.533 5.171 4.640 -0.003 0.000 0.239 167 D C -0.803 175.545 176.300 0.079 0.000 1.084 167 D CA -0.257 53.778 54.000 0.058 0.000 0.843 167 D CB 1.556 42.359 40.800 0.004 0.000 1.097 167 D HN 0.225 nan 8.370 nan 0.000 0.531 168 L N 1.860 123.155 121.223 0.120 0.000 2.325 168 L HA 0.531 4.869 4.340 -0.003 0.000 0.278 168 L C 0.025 177.014 176.870 0.200 0.000 1.023 168 L CA -0.745 54.194 54.840 0.165 0.000 0.811 168 L CB 1.864 44.020 42.059 0.163 0.000 1.249 168 L HN 0.374 nan 8.230 nan 0.000 0.431 169 E N 1.362 121.693 120.200 0.218 0.000 2.234 169 E HA 0.335 4.683 4.350 -0.003 0.000 0.266 169 E C -1.118 175.589 176.600 0.180 0.000 0.877 169 E CA -0.608 55.904 56.400 0.186 0.000 0.758 169 E CB 1.951 31.741 29.700 0.151 0.000 1.170 169 E HN 0.618 nan 8.360 nan 0.000 0.415 170 T N 0.789 115.410 114.554 0.112 0.000 2.744 170 T HA 0.492 4.841 4.350 -0.003 0.000 0.291 170 T C -0.235 174.413 174.700 -0.088 0.000 0.957 170 T CA -0.740 61.306 62.100 -0.090 0.000 1.002 170 T CB 1.127 69.870 68.868 -0.208 0.000 0.919 170 T HN 0.229 nan 8.240 nan 0.000 0.468 171 V N 1.921 121.747 119.914 -0.147 0.000 2.789 171 V HA 0.642 4.761 4.120 -0.003 0.000 0.311 171 V C -1.123 174.900 176.094 -0.120 0.000 1.073 171 V CA -0.891 61.339 62.300 -0.117 0.000 0.921 171 V CB 2.064 33.822 31.823 -0.109 0.000 1.009 171 V HN 1.002 nan 8.190 nan 0.000 0.426 172 E N 4.063 124.204 120.200 -0.098 0.000 2.151 172 E HA 0.686 5.034 4.350 -0.003 0.000 0.275 172 E C -1.214 175.407 176.600 0.036 0.000 0.936 172 E CA -0.512 55.904 56.400 0.026 0.000 0.777 172 E CB 2.331 31.994 29.700 -0.061 0.000 1.108 172 E HN 0.654 nan 8.360 nan 0.000 0.401 173 V N 3.122 123.104 119.914 0.114 0.000 2.932 173 V HA 0.231 4.349 4.120 -0.003 0.000 0.307 173 V C -1.226 174.938 176.094 0.117 0.000 1.147 173 V CA -0.945 61.393 62.300 0.064 0.000 0.951 173 V CB 2.073 33.906 31.823 0.016 0.000 1.031 173 V HN 0.650 nan 8.190 nan 0.000 0.426 174 K N 4.382 124.826 120.400 0.073 0.000 2.363 174 K HA 0.563 4.881 4.320 -0.003 0.000 0.289 174 K C 0.042 176.714 176.600 0.120 0.000 1.063 174 K CA 0.584 56.922 56.287 0.086 0.000 0.967 174 K CB 0.307 32.832 32.500 0.042 0.000 0.987 174 K HN 0.943 nan 8.250 nan 0.000 0.473 175 G N 2.829 111.781 108.800 0.253 0.000 2.473 175 G HA2 0.168 4.126 3.960 -0.003 0.000 0.321 175 G HA3 0.168 4.126 3.960 -0.003 0.000 0.321 175 G C -1.415 173.609 174.900 0.208 0.000 1.200 175 G CA -0.710 44.490 45.100 0.167 0.000 0.963 175 G HN 0.691 nan 8.290 nan 0.000 0.483 176 Q N 0.321 120.160 119.800 0.066 0.000 2.293 176 Q HA 0.184 4.522 4.340 -0.003 0.000 0.263 176 Q C 0.508 176.570 176.000 0.102 0.000 1.002 176 Q CA -0.536 55.306 55.803 0.064 0.000 0.910 176 Q CB 0.987 29.727 28.738 0.005 0.000 1.185 176 Q HN 0.431 nan 8.270 nan 0.000 0.401 177 L N 4.005 125.287 121.223 0.099 0.000 2.298 177 L HA 0.355 4.693 4.340 -0.003 0.000 0.209 177 L C -0.380 176.457 176.870 -0.054 0.000 1.084 177 L CA 1.483 56.330 54.840 0.011 0.000 0.816 177 L CB 0.369 42.295 42.059 -0.221 0.000 0.967 177 L HN 0.788 nan 8.230 nan 0.000 0.460 178 D N -2.172 118.205 120.400 -0.038 0.000 2.738 178 D HA 0.113 4.751 4.640 -0.003 0.000 0.308 178 D C -1.599 174.681 176.300 -0.032 0.000 1.311 178 D CA -0.562 53.422 54.000 -0.025 0.000 0.799 178 D CB 1.031 41.817 40.800 -0.024 0.000 1.332 178 D HN -0.062 nan 8.370 nan 0.000 0.441 179 D N 0.465 120.841 120.400 -0.040 0.000 2.493 179 D HA 0.133 4.771 4.640 -0.003 0.000 0.240 179 D C 0.677 176.959 176.300 -0.030 0.000 1.142 179 D CA 0.800 54.778 54.000 -0.037 0.000 0.872 179 D CB 0.183 40.957 40.800 -0.043 0.000 1.173 179 D HN 0.479 nan 8.370 nan 0.000 0.467 180 N N 1.615 120.305 118.700 -0.016 0.000 2.708 180 N HA -0.233 4.506 4.740 -0.003 0.000 0.251 180 N C -1.254 174.251 175.510 -0.009 0.000 1.123 180 N CA 1.520 54.565 53.050 -0.008 0.000 0.739 180 N CB -1.194 37.291 38.487 -0.004 0.000 1.113 180 N HN 0.540 nan 8.380 nan 0.000 0.561 181 T N -1.858 112.689 114.554 -0.013 0.000 2.916 181 T HA 0.685 5.033 4.350 -0.003 0.000 0.298 181 T C -0.230 174.472 174.700 0.002 0.000 1.031 181 T CA 0.313 62.405 62.100 -0.014 0.000 0.993 181 T CB 1.662 70.508 68.868 -0.035 0.000 1.045 181 T HN 0.333 nan 8.240 nan 0.000 0.454 182 T N 1.548 116.116 114.554 0.024 0.000 2.907 182 T HA 0.790 5.138 4.350 -0.003 0.000 0.290 182 T C -1.451 173.316 174.700 0.112 0.000 1.066 182 T CA -0.845 61.300 62.100 0.075 0.000 1.012 182 T CB 1.834 70.740 68.868 0.063 0.000 1.184 182 T HN 0.859 nan 8.240 nan 0.000 0.522 183 Y N -0.727 119.548 120.300 -0.042 0.000 2.592 183 Y HA 0.480 5.028 4.550 -0.003 0.000 0.334 183 Y C -1.041 174.785 175.900 -0.124 0.000 1.136 183 Y CA -0.678 57.308 58.100 -0.190 0.000 1.042 183 Y CB 1.907 40.090 38.460 -0.461 0.000 1.325 183 Y HN 0.857 nan 8.280 nan 0.000 0.457 184 T N 5.361 119.487 114.554 -0.713 0.000 2.782 184 T HA 0.285 4.633 4.350 -0.003 0.000 0.298 184 T C -0.974 173.451 174.700 -0.460 0.000 0.944 184 T CA 0.109 61.974 62.100 -0.392 0.000 1.001 184 T CB -0.856 67.845 68.868 -0.279 0.000 0.932 184 T HN 0.334 nan 8.240 nan 0.000 0.524 185 Y N 1.658 121.920 120.300 -0.063 0.000 2.304 185 Y HA 0.402 4.951 4.550 -0.003 0.000 0.327 185 Y C 0.025 176.024 175.900 0.165 0.000 1.209 185 Y CA -0.721 57.390 58.100 0.019 0.000 1.299 185 Y CB 0.871 39.367 38.460 0.060 0.000 1.249 185 Y HN 0.512 nan 8.280 nan 0.000 0.519 186 W N 1.642 122.971 121.300 0.048 0.000 2.587 186 W HA 0.542 5.200 4.660 -0.003 0.000 0.324 186 W C -0.580 175.832 176.519 -0.179 0.000 1.040 186 W CA -1.506 55.769 57.345 -0.117 0.000 1.222 186 W CB 1.373 30.737 29.460 -0.160 0.000 1.381 186 W HN 0.457 nan 8.180 nan 0.000 0.483 187 T N -0.824 113.693 114.554 -0.061 0.000 2.896 187 T HA 0.695 5.043 4.350 -0.003 0.000 0.297 187 T C -1.143 173.401 174.700 -0.259 0.000 1.108 187 T CA -0.723 61.302 62.100 -0.125 0.000 1.004 187 T CB 1.527 70.382 68.868 -0.020 0.000 1.159 187 T HN -0.023 nan 8.240 nan 0.000 0.499 188 F N 2.161 122.135 119.950 0.040 0.000 2.421 188 F HA 0.393 4.918 4.527 -0.003 0.000 0.358 188 F C 0.967 176.812 175.800 0.075 0.000 1.115 188 F CA -0.447 57.605 58.000 0.086 0.000 1.160 188 F CB -0.017 39.099 39.000 0.195 0.000 1.123 188 F HN 0.771 nan 8.300 nan 0.000 0.508 189 N N 1.699 120.533 118.700 0.223 0.000 2.747 189 N HA -0.192 4.547 4.740 -0.003 0.000 0.249 189 N C 0.979 176.544 175.510 0.091 0.000 1.107 189 N CA 1.133 54.273 53.050 0.150 0.000 0.707 189 N CB -1.355 37.232 38.487 0.166 0.000 1.054 189 N HN 1.090 nan 8.380 nan 0.000 0.555 190 G N -2.469 106.362 108.800 0.052 0.000 2.179 190 G HA2 -0.355 3.604 3.960 -0.003 0.000 0.260 190 G HA3 -0.355 3.604 3.960 -0.003 0.000 0.260 190 G C -0.010 174.880 174.900 -0.017 0.000 0.977 190 G CA 0.910 46.015 45.100 0.008 0.000 0.641 190 G HN 0.422 nan 8.290 nan 0.000 0.533 191 K N -0.477 119.925 120.400 0.004 0.000 2.444 191 K HA 0.783 5.102 4.320 -0.003 0.000 0.252 191 K C -0.792 175.779 176.600 -0.048 0.000 0.993 191 K CA -0.771 55.495 56.287 -0.035 0.000 0.847 191 K CB 2.788 35.291 32.500 0.005 0.000 1.340 191 K HN 0.261 nan 8.250 nan 0.000 0.446 192 V N 3.079 122.929 119.914 -0.108 0.000 2.483 192 V HA 0.307 4.425 4.120 -0.003 0.000 0.297 192 V C -2.204 173.813 176.094 -0.129 0.000 1.027 192 V CA -1.914 60.287 62.300 -0.164 0.000 0.855 192 V CB 1.895 33.611 31.823 -0.178 0.000 0.995 192 V HN 0.632 nan 8.190 nan 0.000 0.424 193 P HA 0.158 nan 4.420 nan 0.000 0.274 193 P C 0.449 177.753 177.300 0.008 0.000 1.260 193 P CA 0.184 63.176 63.100 -0.181 0.000 0.793 193 P CB 0.708 32.328 31.700 -0.134 0.000 1.048 194 G N 0.317 109.192 108.800 0.124 0.000 2.647 194 G HA2 0.231 4.189 3.960 -0.003 0.000 0.271 194 G HA3 0.231 4.189 3.960 -0.003 0.000 0.271 194 G C -2.398 172.748 174.900 0.411 0.000 1.300 194 G CA -0.931 44.363 45.100 0.324 0.000 0.997 194 G HN 0.361 nan 8.290 nan 0.000 0.533 195 P HA 0.057 nan 4.420 nan 0.000 0.265 195 P C -0.472 177.024 177.300 0.327 0.000 1.193 195 P CA 0.001 63.303 63.100 0.338 0.000 0.765 195 P CB 0.339 32.165 31.700 0.210 0.000 0.823 196 F N 4.305 124.246 119.950 -0.015 0.000 2.506 196 F HA 0.180 4.706 4.527 -0.002 0.000 0.371 196 F C -0.158 175.529 175.800 -0.187 0.000 1.078 196 F CA 0.049 57.805 58.000 -0.406 0.000 1.195 196 F CB 0.081 38.556 39.000 -0.875 0.000 1.099 196 F HN 0.088 nan 8.300 nan 0.000 0.548 197 L N 7.426 128.474 121.223 -0.292 0.000 2.295 197 L HA 0.539 4.877 4.340 -0.003 0.000 0.285 197 L C -0.255 176.478 176.870 -0.229 0.000 1.035 197 L CA -0.750 53.986 54.840 -0.173 0.000 0.806 197 L CB 1.670 43.619 42.059 -0.183 0.000 1.214 197 L HN 0.570 nan 8.230 nan 0.000 0.426 198 R N 3.234 123.693 120.500 -0.069 0.000 2.483 198 R HA 0.681 5.019 4.340 -0.003 0.000 0.303 198 R C -1.192 175.072 176.300 -0.059 0.000 0.987 198 R CA -0.413 55.672 56.100 -0.025 0.000 0.881 198 R CB 1.843 32.196 30.300 0.088 0.000 1.177 198 R HN 0.549 nan 8.270 nan 0.000 0.451 199 V N 0.193 120.066 119.914 -0.069 0.000 3.156 199 V HA 0.712 4.831 4.120 -0.003 0.000 0.310 199 V C -1.155 174.912 176.094 -0.045 0.000 1.234 199 V CA -1.173 61.080 62.300 -0.080 0.000 1.065 199 V CB 1.999 33.743 31.823 -0.133 0.000 1.088 199 V HN 0.745 nan 8.190 nan 0.000 0.451 200 R N 0.383 120.854 120.500 -0.048 0.000 2.778 200 R HA 0.700 5.038 4.340 -0.003 0.000 0.277 200 R C -0.961 175.327 176.300 -0.020 0.000 0.977 200 R CA -0.559 55.526 56.100 -0.024 0.000 0.950 200 R CB 2.165 32.448 30.300 -0.029 0.000 1.165 200 R HN 0.876 nan 8.270 nan 0.000 0.474 201 V N 3.520 123.437 119.914 0.005 0.000 2.720 201 V HA 0.135 4.253 4.120 -0.003 0.000 0.307 201 V C 1.183 177.269 176.094 -0.013 0.000 1.071 201 V CA 2.558 64.864 62.300 0.010 0.000 1.199 201 V CB 0.732 32.572 31.823 0.029 0.000 0.900 201 V HN 1.112 nan 8.190 nan 0.000 0.494 202 G N 4.213 113.000 108.800 -0.022 0.000 2.225 202 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.254 202 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.254 202 G C 0.019 174.881 174.900 -0.063 0.000 0.988 202 G CA 0.215 45.294 45.100 -0.035 0.000 0.625 202 G HN 0.783 nan 8.290 nan 0.000 0.527 203 D N 1.141 121.492 120.400 -0.082 0.000 2.400 203 D HA 0.456 5.094 4.640 -0.003 0.000 0.238 203 D C 0.608 176.803 176.300 -0.174 0.000 1.157 203 D CA 0.895 54.821 54.000 -0.124 0.000 0.889 203 D CB 0.697 41.410 40.800 -0.145 0.000 1.199 203 D HN 0.107 nan 8.370 nan 0.000 0.436 204 T N 1.040 115.474 114.554 -0.200 0.000 2.767 204 T HA 0.391 4.739 4.350 -0.003 0.000 0.284 204 T C -0.168 174.306 174.700 -0.376 0.000 0.973 204 T CA -0.643 61.297 62.100 -0.266 0.000 0.996 204 T CB 1.021 69.776 68.868 -0.187 0.000 0.927 204 T HN -0.038 nan 8.240 nan 0.000 0.456 205 V N 3.830 123.359 119.914 -0.643 0.000 2.370 205 V HA 0.347 4.465 4.120 -0.003 0.000 0.279 205 V C 0.375 176.109 176.094 -0.599 0.000 1.029 205 V CA -0.759 61.089 62.300 -0.754 0.000 0.870 205 V CB 1.363 32.347 31.823 -1.398 0.000 0.984 205 V HN 0.851 nan 8.190 nan 0.000 0.451 206 E N 4.479 124.479 120.200 -0.334 0.000 2.055 206 E HA 0.422 4.771 4.350 -0.003 0.000 0.274 206 E C -1.200 175.339 176.600 -0.101 0.000 0.949 206 E CA -0.677 55.605 56.400 -0.197 0.000 0.775 206 E CB 1.297 30.948 29.700 -0.082 0.000 1.097 206 E HN 0.610 nan 8.360 nan 0.000 0.404 207 L N 5.941 127.098 121.223 -0.110 0.000 2.272 207 L HA 0.297 4.635 4.340 -0.003 0.000 0.289 207 L C -1.039 175.826 176.870 -0.009 0.000 1.032 207 L CA -0.399 54.448 54.840 0.011 0.000 0.810 207 L CB 0.949 43.082 42.059 0.123 0.000 1.205 207 L HN 0.573 nan 8.230 nan 0.000 0.422 208 H N 6.605 125.690 119.070 0.025 0.000 2.541 208 H HA 0.317 4.872 4.556 -0.002 0.000 0.316 208 H C -0.953 174.419 175.328 0.074 0.000 1.043 208 H CA -0.588 55.486 56.048 0.043 0.000 1.232 208 H CB 1.965 31.740 29.762 0.022 0.000 1.406 208 H HN 0.520 nan 8.280 nan 0.000 0.469 209 L N 4.358 125.678 121.223 0.163 0.000 2.298 209 L HA 0.329 4.667 4.340 -0.003 0.000 0.284 209 L C -0.462 176.497 176.870 0.149 0.000 1.013 209 L CA -0.562 54.380 54.840 0.171 0.000 0.824 209 L CB 0.807 42.972 42.059 0.177 0.000 1.221 209 L HN 0.377 nan 8.230 nan 0.000 0.418 210 K N 4.102 124.591 120.400 0.149 0.000 2.274 210 K HA 0.289 4.608 4.320 -0.003 0.000 0.262 210 K C -1.032 175.641 176.600 0.122 0.000 0.961 210 K CA -0.694 55.662 56.287 0.116 0.000 0.833 210 K CB 1.368 33.928 32.500 0.100 0.000 1.102 210 K HN 0.494 nan 8.250 nan 0.000 0.436 211 N N 2.585 121.346 118.700 0.103 0.000 2.422 211 N HA 0.050 4.788 4.740 -0.003 0.000 0.266 211 N C -0.965 174.606 175.510 0.102 0.000 1.007 211 N CA -0.208 52.915 53.050 0.122 0.000 0.941 211 N CB 0.551 39.109 38.487 0.118 0.000 1.115 211 N HN 0.599 nan 8.380 nan 0.000 0.492 212 H N 1.814 120.907 119.070 0.038 0.000 3.038 212 H HA -0.045 4.509 4.556 -0.003 0.000 0.338 212 H C 1.311 176.646 175.328 0.012 0.000 1.041 212 H CA 0.871 56.932 56.048 0.021 0.000 1.394 212 H CB 0.959 30.727 29.762 0.010 0.000 1.357 212 H HN 0.618 nan 8.280 nan 0.000 0.600 213 K N 2.136 122.381 120.400 -0.258 0.000 2.209 213 K HA -0.133 4.186 4.320 -0.003 0.000 0.204 213 K C 0.600 177.254 176.600 0.090 0.000 1.048 213 K CA 1.778 58.021 56.287 -0.074 0.000 0.940 213 K CB 0.279 32.692 32.500 -0.145 0.000 0.729 213 K HN 0.510 nan 8.250 nan 0.000 0.451 214 D N 1.090 121.693 120.400 0.339 0.000 2.349 214 D HA 0.035 4.674 4.640 -0.003 0.000 0.224 214 D C -0.195 176.160 176.300 0.092 0.000 1.029 214 D CA 0.317 54.439 54.000 0.202 0.000 0.879 214 D CB 0.181 41.094 40.800 0.187 0.000 0.906 214 D HN 0.108 nan 8.370 nan 0.000 0.528 215 S N 0.298 116.055 115.700 0.095 0.000 2.562 215 S HA 0.134 4.602 4.470 -0.003 0.000 0.281 215 S C 1.704 176.266 174.600 -0.064 0.000 1.333 215 S CA -0.343 57.858 58.200 0.001 0.000 1.052 215 S CB 1.117 64.349 63.200 0.053 0.000 0.884 215 S HN 0.141 nan 8.310 nan 0.000 0.506 216 L N 1.385 122.527 121.223 -0.134 0.000 2.270 216 L HA 0.076 4.414 4.340 -0.003 0.000 0.210 216 L C 0.471 177.213 176.870 -0.214 0.000 1.104 216 L CA 0.740 55.496 54.840 -0.141 0.000 0.804 216 L CB -0.199 41.791 42.059 -0.115 0.000 0.937 216 L HN 0.469 nan 8.230 nan 0.000 0.450 217 M N -0.010 119.361 119.600 -0.381 0.000 2.537 217 M HA 0.291 4.770 4.480 -0.003 0.000 0.324 217 M C -0.132 175.839 176.300 -0.549 0.000 1.187 217 M CA -0.810 54.181 55.300 -0.513 0.000 0.993 217 M CB 2.161 34.240 32.600 -0.869 0.000 1.666 217 M HN -0.210 nan 8.290 nan 0.000 0.461 218 V N 2.520 122.200 119.914 -0.391 0.000 2.843 218 V HA 0.220 4.338 4.120 -0.003 0.000 0.305 218 V C -0.613 175.156 176.094 -0.541 0.000 1.065 218 V CA 0.398 62.501 62.300 -0.329 0.000 1.116 218 V CB 0.276 32.005 31.823 -0.156 0.000 0.968 218 V HN 0.815 nan 8.190 nan 0.000 0.487 219 H N 3.564 122.610 119.070 -0.040 0.000 2.946 219 H HA 0.787 5.342 4.556 -0.003 0.000 0.365 219 H C -0.192 175.138 175.328 0.003 0.000 1.197 219 H CA 0.069 56.100 56.048 -0.029 0.000 1.131 219 H CB 2.147 31.892 29.762 -0.029 0.000 1.849 219 H HN 1.060 nan 8.280 nan 0.000 0.555 220 S N -0.085 115.719 115.700 0.172 0.000 2.843 220 S HA 0.647 5.116 4.470 -0.003 0.000 0.301 220 S C -1.153 173.576 174.600 0.215 0.000 1.206 220 S CA -0.775 57.511 58.200 0.144 0.000 0.875 220 S CB 2.003 65.235 63.200 0.053 0.000 1.248 220 S HN 0.419 nan 8.310 nan 0.000 0.555 221 V N 0.989 120.947 119.914 0.074 0.000 2.891 221 V HA 0.670 4.788 4.120 -0.003 0.000 0.304 221 V C -2.308 173.589 176.094 -0.327 0.000 1.171 221 V CA -0.352 61.878 62.300 -0.117 0.000 0.943 221 V CB 1.973 33.571 31.823 -0.376 0.000 1.037 221 V HN 1.118 nan 8.190 nan 0.000 0.427 222 D N 5.186 125.303 120.400 -0.473 0.000 2.492 222 D HA 0.442 5.080 4.640 -0.003 0.000 0.248 222 D C -1.341 174.605 176.300 -0.590 0.000 1.101 222 D CA -0.179 53.563 54.000 -0.431 0.000 0.840 222 D CB 1.328 41.914 40.800 -0.356 0.000 1.209 222 D HN 0.270 nan 8.370 nan 0.000 0.524 223 F N 2.455 122.260 119.950 -0.243 0.000 2.415 223 F HA 0.311 4.836 4.527 -0.004 0.000 0.348 223 F C 1.817 177.545 175.800 -0.120 0.000 1.119 223 F CA -0.661 57.210 58.000 -0.216 0.000 1.069 223 F CB 1.423 40.187 39.000 -0.393 0.000 1.124 223 F HN 0.490 nan 8.300 nan 0.000 0.472 224 H N 1.857 120.935 119.070 0.013 0.000 2.521 224 H HA -0.054 4.500 4.556 -0.003 0.000 0.286 224 H C 1.882 176.927 175.328 -0.471 0.000 1.034 224 H CA 0.509 56.527 56.048 -0.050 0.000 1.278 224 H CB 0.381 30.257 29.762 0.189 0.000 1.386 224 H HN 0.908 nan 8.280 nan 0.000 0.567 225 G N 0.011 108.426 108.800 -0.641 0.000 3.042 225 G HA2 0.302 4.260 3.960 -0.003 0.000 0.212 225 G HA3 0.302 4.260 3.960 -0.003 0.000 0.212 225 G C 0.372 174.981 174.900 -0.484 0.000 1.166 225 G CA 0.225 44.584 45.100 -1.234 0.000 0.767 225 G HN 0.302 nan 8.290 nan 0.000 0.546 226 A N -0.066 122.526 122.820 -0.380 0.000 2.293 226 A HA 0.708 5.027 4.320 -0.003 0.000 0.302 226 A C -0.096 177.343 177.584 -0.242 0.000 1.119 226 A CA -0.161 51.611 52.037 -0.442 0.000 0.823 226 A CB 0.878 19.313 19.000 -0.941 0.000 1.097 226 A HN 0.057 nan 8.150 nan 0.000 0.491 227 T N 0.939 115.401 114.554 -0.153 0.000 2.791 227 T HA 0.704 5.053 4.350 -0.003 0.000 0.288 227 T C 0.123 174.792 174.700 -0.052 0.000 0.999 227 T CA 0.422 62.475 62.100 -0.079 0.000 0.952 227 T CB 1.034 69.879 68.868 -0.038 0.000 0.938 227 T HN 1.948 nan 8.240 nan 0.000 0.444 228 G N 4.172 112.956 108.800 -0.027 0.000 2.359 228 G HA2 0.263 4.221 3.960 -0.003 0.000 0.314 228 G HA3 0.263 4.221 3.960 -0.003 0.000 0.314 228 G C -3.256 171.681 174.900 0.062 0.000 1.364 228 G CA -1.253 43.865 45.100 0.030 0.000 0.978 228 G HN 0.478 nan 8.290 nan 0.000 0.615 229 P HA 0.338 nan 4.420 nan 0.000 0.256 229 P C 1.106 178.461 177.300 0.092 0.000 1.173 229 P CA 2.069 65.230 63.100 0.101 0.000 0.768 229 P CB 0.482 32.242 31.700 0.100 0.000 0.758 230 G N 3.480 112.303 108.800 0.038 0.000 2.187 230 G HA2 -0.185 3.774 3.960 -0.003 0.000 0.261 230 G HA3 -0.185 3.774 3.960 -0.003 0.000 0.261 230 G C 0.897 175.800 174.900 0.004 0.000 1.000 230 G CA 0.566 45.681 45.100 0.025 0.000 0.718 230 G HN 1.058 nan 8.290 nan 0.000 0.519 231 G N -1.127 107.666 108.800 -0.011 0.000 2.225 231 G HA2 0.295 4.254 3.960 -0.003 0.000 0.267 231 G HA3 0.295 4.254 3.960 -0.003 0.000 0.267 231 G C 1.058 175.896 174.900 -0.103 0.000 1.024 231 G CA 1.371 46.426 45.100 -0.075 0.000 0.784 231 G HN 2.621 nan 8.290 nan 0.000 0.507 232 A N -3.311 119.508 122.820 -0.001 0.000 3.629 232 A HA 0.235 4.553 4.320 -0.003 0.000 0.224 232 A C 2.254 179.943 177.584 0.176 0.000 1.104 232 A CA 1.528 53.627 52.037 0.103 0.000 1.660 232 A CB -1.726 17.291 19.000 0.028 0.000 0.911 232 A HN 2.287 nan 8.150 nan 0.000 0.805 233 A N -0.008 122.854 122.820 0.070 0.000 2.015 233 A HA 0.399 4.717 4.320 -0.003 0.000 0.219 233 A C 2.332 179.943 177.584 0.045 0.000 1.163 233 A CA 1.853 53.915 52.037 0.041 0.000 0.646 233 A CB -0.854 18.147 19.000 0.001 0.000 0.806 233 A HN 2.126 nan 8.150 nan 0.000 0.448 234 A N -1.471 121.371 122.820 0.037 0.000 2.070 234 A HA 0.089 4.407 4.320 -0.003 0.000 0.220 234 A C 1.537 178.957 177.584 -0.273 0.000 1.159 234 A CA 1.152 53.103 52.037 -0.144 0.000 0.656 234 A CB -0.592 18.257 19.000 -0.251 0.000 0.800 234 A HN 0.493 nan 8.150 nan 0.000 0.453 235 F N -0.700 119.249 119.950 -0.002 0.000 2.721 235 F HA 0.106 4.632 4.527 -0.002 0.000 0.301 235 F C 1.894 177.702 175.800 0.013 0.000 1.096 235 F CA 1.113 59.117 58.000 0.007 0.000 1.308 235 F CB 0.428 39.439 39.000 0.018 0.000 1.086 235 F HN 0.234 nan 8.300 nan 0.000 0.587 236 T N -3.860 110.788 114.554 0.158 0.000 3.091 236 T HA 0.125 4.473 4.350 -0.003 0.000 0.277 236 T C 0.468 175.213 174.700 0.074 0.000 0.996 236 T CA -0.248 61.926 62.100 0.123 0.000 0.897 236 T CB -0.096 68.853 68.868 0.135 0.000 1.109 236 T HN -0.196 nan 8.240 nan 0.000 0.534 237 Q N 2.803 122.623 119.800 0.032 0.000 2.257 237 Q HA 0.244 4.583 4.340 -0.003 0.000 0.273 237 Q C -0.509 175.496 176.000 0.009 0.000 1.153 237 Q CA 0.650 56.455 55.803 0.002 0.000 0.922 237 Q CB 0.093 28.813 28.738 -0.029 0.000 1.242 237 Q HN 0.351 nan 8.270 nan 0.000 0.409 238 T N 2.895 117.461 114.554 0.020 0.000 2.812 238 T HA 0.245 4.593 4.350 -0.003 0.000 0.282 238 T C -0.311 174.391 174.700 0.004 0.000 0.990 238 T CA -0.863 61.255 62.100 0.030 0.000 0.960 238 T CB 1.347 70.259 68.868 0.073 0.000 0.948 238 T HN 0.253 nan 8.240 nan 0.000 0.438 239 D N 3.572 123.968 120.400 -0.008 0.000 2.344 239 D HA 0.259 4.898 4.640 -0.003 0.000 0.244 239 D C -2.267 174.026 176.300 -0.011 0.000 1.134 239 D CA -1.745 52.239 54.000 -0.026 0.000 0.930 239 D CB 0.621 41.406 40.800 -0.025 0.000 1.175 239 D HN 0.169 nan 8.370 nan 0.000 0.437 240 P HA 0.083 nan 4.420 nan 0.000 0.264 240 P C 0.852 178.146 177.300 -0.009 0.000 1.183 240 P CA 0.675 63.773 63.100 -0.004 0.000 0.763 240 P CB 0.519 32.208 31.700 -0.018 0.000 0.807 241 G N 1.192 109.983 108.800 -0.015 0.000 2.225 241 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.254 241 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.254 241 G C 0.201 175.090 174.900 -0.018 0.000 0.988 241 G CA -0.126 44.952 45.100 -0.037 0.000 0.625 241 G HN 0.516 nan 8.290 nan 0.000 0.527 242 E N 0.333 120.534 120.200 0.002 0.000 2.239 242 E HA 0.656 5.004 4.350 -0.003 0.000 0.261 242 E C -0.072 176.548 176.600 0.034 0.000 1.016 242 E CA -0.599 55.809 56.400 0.013 0.000 0.882 242 E CB 1.635 31.341 29.700 0.010 0.000 1.190 242 E HN 0.506 nan 8.360 nan 0.000 0.415 243 E N -0.176 120.049 120.200 0.041 0.000 2.277 243 E HA 0.484 4.832 4.350 -0.003 0.000 0.266 243 E C -1.253 175.379 176.600 0.053 0.000 0.901 243 E CA -0.431 56.007 56.400 0.062 0.000 0.782 243 E CB 1.941 31.688 29.700 0.079 0.000 1.228 243 E HN 0.238 nan 8.360 nan 0.000 0.424 244 T N 1.610 116.199 114.554 0.059 0.000 2.909 244 T HA 0.470 4.818 4.350 -0.003 0.000 0.299 244 T C -1.736 172.969 174.700 0.008 0.000 1.073 244 T CA -0.558 61.570 62.100 0.047 0.000 0.999 244 T CB 1.542 70.453 68.868 0.071 0.000 1.098 244 T HN 0.300 nan 8.240 nan 0.000 0.477 245 V N 3.895 123.789 119.914 -0.035 0.000 2.760 245 V HA 0.952 5.071 4.120 -0.003 0.000 0.309 245 V C -1.416 174.633 176.094 -0.076 0.000 1.077 245 V CA -0.449 61.759 62.300 -0.154 0.000 0.910 245 V CB 1.748 33.283 31.823 -0.479 0.000 1.008 245 V HN 0.720 nan 8.190 nan 0.000 0.424 246 V N 5.335 125.201 119.914 -0.081 0.000 2.888 246 V HA 0.867 4.986 4.120 -0.003 0.000 0.309 246 V C -0.360 175.672 176.094 -0.103 0.000 1.114 246 V CA 0.542 62.792 62.300 -0.083 0.000 0.940 246 V CB 2.532 34.345 31.823 -0.016 0.000 1.021 246 V HN 1.403 nan 8.190 nan 0.000 0.426 247 T N 5.179 119.639 114.554 -0.158 0.000 2.823 247 T HA 0.835 5.183 4.350 -0.003 0.000 0.279 247 T C -0.926 173.705 174.700 -0.114 0.000 0.998 247 T CA -0.411 61.584 62.100 -0.175 0.000 0.994 247 T CB 1.165 69.920 68.868 -0.188 0.000 0.960 247 T HN 1.233 nan 8.240 nan 0.000 0.448 248 F N 0.262 120.072 119.950 -0.234 0.000 2.613 248 F HA 0.831 5.357 4.527 -0.003 0.000 0.310 248 F C -0.774 174.911 175.800 -0.191 0.000 1.085 248 F CA -1.476 56.391 58.000 -0.223 0.000 0.945 248 F CB 1.378 40.238 39.000 -0.232 0.000 1.298 248 F HN 0.503 nan 8.300 nan 0.000 0.455 249 K N 1.622 122.033 120.400 0.020 0.000 2.174 249 K HA 0.712 5.030 4.320 -0.003 0.000 0.275 249 K C -0.580 176.058 176.600 0.062 0.000 1.015 249 K CA -0.468 55.792 56.287 -0.045 0.000 0.933 249 K CB 1.598 34.083 32.500 -0.025 0.000 1.025 249 K HN 0.849 nan 8.250 nan 0.000 0.463 250 A N 4.884 127.687 122.820 -0.027 0.000 2.506 250 A HA 0.243 4.561 4.320 -0.003 0.000 0.320 250 A C 0.529 178.119 177.584 0.010 0.000 1.424 250 A CA -0.334 51.712 52.037 0.015 0.000 1.044 250 A CB -0.382 18.600 19.000 -0.029 0.000 1.140 250 A HN 0.860 nan 8.150 nan 0.000 0.538 251 L N 2.191 123.425 121.223 0.018 0.000 2.307 251 L HA 0.247 4.586 4.340 -0.003 0.000 0.211 251 L C 0.014 176.910 176.870 0.044 0.000 1.099 251 L CA 0.922 55.775 54.840 0.021 0.000 0.816 251 L CB -0.118 41.949 42.059 0.014 0.000 0.952 251 L HN 0.586 nan 8.230 nan 0.000 0.455 252 I N 0.032 120.649 120.570 0.077 0.000 2.571 252 I HA 0.299 4.467 4.170 -0.003 0.000 0.289 252 I C -2.501 173.747 176.117 0.219 0.000 1.115 252 I CA -1.979 59.399 61.300 0.130 0.000 1.045 252 I CB 2.511 40.600 38.000 0.149 0.000 1.238 252 I HN -0.258 nan 8.210 nan 0.000 0.424 253 P HA 0.446 nan 4.420 nan 0.000 0.272 253 P C -0.140 177.238 177.300 0.129 0.000 1.223 253 P CA 0.096 63.290 63.100 0.156 0.000 0.784 253 P CB 1.117 32.868 31.700 0.085 0.000 0.923 254 G N 0.507 109.300 108.800 -0.011 0.000 2.313 254 G HA2 0.382 4.340 3.960 -0.003 0.000 0.296 254 G HA3 0.382 4.340 3.960 -0.003 0.000 0.296 254 G C -2.197 172.369 174.900 -0.557 0.000 1.356 254 G CA -0.533 44.316 45.100 -0.419 0.000 0.833 254 G HN 0.547 nan 8.290 nan 0.000 0.552 255 I N 0.488 120.710 120.570 -0.580 0.000 2.355 255 I HA 0.766 4.935 4.170 -0.003 0.000 0.288 255 I C -1.453 174.430 176.117 -0.391 0.000 0.999 255 I CA -1.401 59.709 61.300 -0.317 0.000 1.163 255 I CB 0.615 38.605 38.000 -0.017 0.000 1.316 255 I HN 0.461 nan 8.210 nan 0.000 0.454 256 Y N 5.651 125.964 120.300 0.022 0.000 2.446 256 Y HA 0.556 5.105 4.550 -0.001 0.000 0.345 256 Y C -0.045 175.865 175.900 0.016 0.000 0.984 256 Y CA -1.063 57.082 58.100 0.076 0.000 1.058 256 Y CB 1.995 40.526 38.460 0.118 0.000 1.220 256 Y HN 0.446 nan 8.280 nan 0.000 0.455 257 V N 5.019 125.012 119.914 0.133 0.000 2.686 257 V HA 0.371 4.489 4.120 -0.003 0.000 0.295 257 V C -1.238 174.734 176.094 -0.204 0.000 1.055 257 V CA -0.289 61.950 62.300 -0.103 0.000 1.050 257 V CB 0.319 32.063 31.823 -0.132 0.000 0.984 257 V HN 0.678 nan 8.190 nan 0.000 0.482 258 Y N 4.382 124.580 120.300 -0.170 0.000 2.536 258 Y HA 0.942 5.490 4.550 -0.003 0.000 0.347 258 Y C -0.577 175.245 175.900 -0.129 0.000 1.000 258 Y CA -0.842 57.060 58.100 -0.330 0.000 1.051 258 Y CB 1.403 39.619 38.460 -0.405 0.000 1.259 258 Y HN 1.056 nan 8.280 nan 0.000 0.468 259 H N -0.273 118.828 119.070 0.051 0.000 3.003 259 H HA 0.441 4.995 4.556 -0.003 0.000 0.327 259 H C -1.394 174.152 175.328 0.363 0.000 1.353 259 H CA -1.580 54.630 56.048 0.271 0.000 1.142 259 H CB 0.579 30.453 29.762 0.186 0.000 1.864 259 H HN 1.120 nan 8.280 nan 0.000 0.529 260 C N 1.318 121.005 119.300 0.644 0.000 2.657 260 C HA 0.598 5.056 4.460 -0.003 0.000 0.420 260 C C 1.242 176.451 174.990 0.366 0.000 1.323 260 C CA 0.715 59.989 59.018 0.427 0.000 1.894 260 C CB -1.356 26.576 27.740 0.320 0.000 2.681 260 C HN 0.900 nan 8.230 nan 0.000 0.613 261 A N 4.782 127.698 122.820 0.161 0.000 2.795 261 A HA 0.429 4.747 4.320 -0.003 0.000 0.282 261 A C 0.269 177.844 177.584 -0.015 0.000 0.964 261 A CA -0.145 51.967 52.037 0.124 0.000 1.045 261 A CB -0.005 19.050 19.000 0.093 0.000 1.174 261 A HN 0.853 nan 8.150 nan 0.000 0.493 262 T N 2.889 117.330 114.554 -0.187 0.000 2.795 262 T HA 0.469 4.818 4.350 -0.003 0.000 0.282 262 T C -2.819 171.738 174.700 -0.238 0.000 0.980 262 T CA -1.113 60.813 62.100 -0.290 0.000 1.012 262 T CB 1.248 69.816 68.868 -0.499 0.000 0.936 262 T HN 0.142 nan 8.240 nan 0.000 0.457 263 P HA 0.087 nan 4.420 nan 0.000 0.264 263 P C -0.444 176.952 177.300 0.159 0.000 1.193 263 P CA -0.146 62.983 63.100 0.048 0.000 0.763 263 P CB 0.401 32.121 31.700 0.034 0.000 0.810 264 S N 2.999 118.873 115.700 0.289 0.000 2.439 264 S HA 0.123 4.591 4.470 -0.003 0.000 0.282 264 S C 1.357 176.135 174.600 0.296 0.000 1.170 264 S CA -0.668 57.669 58.200 0.229 0.000 1.054 264 S CB -0.179 63.144 63.200 0.204 0.000 0.956 264 S HN 0.138 nan 8.310 nan 0.000 0.490 265 V N 7.518 127.538 119.914 0.176 0.000 2.255 265 V HA -0.079 4.039 4.120 -0.003 0.000 0.247 265 V C -0.515 175.681 176.094 0.170 0.000 1.051 265 V CA 1.798 64.202 62.300 0.175 0.000 1.018 265 V CB -1.591 30.304 31.823 0.120 0.000 0.641 265 V HN 0.736 nan 8.190 nan 0.000 0.445 266 P HA -0.164 nan 4.420 nan 0.000 0.220 266 P C 1.855 179.192 177.300 0.061 0.000 1.148 266 P CA 2.154 65.276 63.100 0.038 0.000 0.803 266 P CB -0.240 31.441 31.700 -0.032 0.000 0.782 267 T N -1.807 112.811 114.554 0.106 0.000 2.812 267 T HA -0.159 4.189 4.350 -0.003 0.000 0.264 267 T C 1.887 176.583 174.700 -0.007 0.000 1.042 267 T CA 1.016 63.131 62.100 0.025 0.000 1.140 267 T CB -1.040 67.828 68.868 -0.002 0.000 0.870 267 T HN 0.156 nan 8.240 nan 0.000 0.445 268 H N 0.443 119.631 119.070 0.197 0.000 2.387 268 H HA 0.004 4.559 4.556 -0.002 0.000 0.299 268 H C 2.349 177.815 175.328 0.229 0.000 1.099 268 H CA 1.787 58.050 56.048 0.360 0.000 1.315 268 H CB -0.100 29.926 29.762 0.439 0.000 1.380 268 H HN 0.423 nan 8.280 nan 0.000 0.513 269 I N -0.072 120.678 120.570 0.299 0.000 2.202 269 I HA -0.236 3.932 4.170 -0.003 0.000 0.242 269 I C 2.841 179.134 176.117 0.293 0.000 1.091 269 I CA 1.328 62.806 61.300 0.297 0.000 1.368 269 I CB -0.301 37.783 38.000 0.139 0.000 1.058 269 I HN 0.179 nan 8.210 nan 0.000 0.410 270 T N 0.786 115.431 114.554 0.151 0.000 2.788 270 T HA -0.158 4.191 4.350 -0.003 0.000 0.268 270 T C 1.634 176.381 174.700 0.080 0.000 1.044 270 T CA 1.718 63.902 62.100 0.140 0.000 1.139 270 T CB -0.260 68.698 68.868 0.150 0.000 0.867 270 T HN 0.243 nan 8.240 nan 0.000 0.454 271 N N 0.476 119.141 118.700 -0.059 0.000 2.520 271 N HA 0.078 4.816 4.740 -0.003 0.000 0.185 271 N C 1.417 176.942 175.510 0.024 0.000 1.068 271 N CA 1.132 54.074 53.050 -0.179 0.000 0.911 271 N CB 0.042 38.029 38.487 -0.832 0.000 0.961 271 N HN 0.656 nan 8.380 nan 0.000 0.446 272 G N -0.851 108.004 108.800 0.092 0.000 2.559 272 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.202 272 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.202 272 G C -0.034 174.677 174.900 -0.316 0.000 0.992 272 G CA -0.486 44.575 45.100 -0.064 0.000 0.764 272 G HN 0.150 nan 8.290 nan 0.000 0.525 273 M N 1.931 121.514 119.600 -0.029 0.000 3.176 273 M HA 0.504 4.983 4.480 -0.003 0.000 0.284 273 M C -0.400 176.120 176.300 0.367 0.000 1.392 273 M CA -0.326 54.971 55.300 -0.006 0.000 1.520 273 M CB -0.548 31.981 32.600 -0.118 0.000 1.100 273 M HN 0.384 nan 8.290 nan 0.000 0.555 274 Y N -1.370 119.106 120.300 0.293 0.000 2.571 274 Y HA 0.964 5.512 4.550 -0.003 0.000 0.341 274 Y C -0.318 175.457 175.900 -0.209 0.000 1.076 274 Y CA -1.352 56.788 58.100 0.067 0.000 1.029 274 Y CB 1.154 39.627 38.460 0.022 0.000 1.308 274 Y HN 0.348 nan 8.280 nan 0.000 0.461 275 G N 1.100 109.548 108.800 -0.587 0.000 2.600 275 G HA2 0.616 4.574 3.960 -0.003 0.000 0.293 275 G HA3 0.616 4.574 3.960 -0.003 0.000 0.293 275 G C -2.382 172.197 174.900 -0.537 0.000 1.408 275 G CA -1.259 43.409 45.100 -0.719 0.000 0.782 275 G HN 0.735 nan 8.290 nan 0.000 0.482 276 L N 0.390 121.530 121.223 -0.138 0.000 2.346 276 L HA 0.649 4.988 4.340 -0.003 0.000 0.274 276 L C -0.662 176.032 176.870 -0.294 0.000 1.007 276 L CA -0.963 53.755 54.840 -0.205 0.000 0.818 276 L CB 2.171 44.059 42.059 -0.284 0.000 1.284 276 L HN 0.335 nan 8.230 nan 0.000 0.424 277 L N 4.565 125.709 121.223 -0.132 0.000 2.342 277 L HA 0.443 4.781 4.340 -0.003 0.000 0.276 277 L C -1.352 175.413 176.870 -0.176 0.000 0.997 277 L CA -0.764 53.998 54.840 -0.130 0.000 0.838 277 L CB 1.797 43.968 42.059 0.187 0.000 1.224 277 L HN 0.470 nan 8.230 nan 0.000 0.416 278 L N 6.354 127.338 121.223 -0.399 0.000 2.265 278 L HA 0.388 4.726 4.340 -0.003 0.000 0.288 278 L C -0.757 176.097 176.870 -0.025 0.000 1.058 278 L CA 0.030 54.761 54.840 -0.182 0.000 0.809 278 L CB 1.542 43.484 42.059 -0.194 0.000 1.179 278 L HN 0.367 nan 8.230 nan 0.000 0.429 279 V N 5.737 125.701 119.914 0.084 0.000 2.294 279 V HA 0.315 4.433 4.120 -0.003 0.000 0.272 279 V C 0.322 176.454 176.094 0.064 0.000 1.027 279 V CA -0.720 61.640 62.300 0.102 0.000 0.823 279 V CB 0.597 32.559 31.823 0.233 0.000 1.030 279 V HN 0.745 nan 8.190 nan 0.000 0.457 280 E N 6.882 127.102 120.200 0.032 0.000 2.392 280 E HA 0.189 4.538 4.350 -0.003 0.000 0.264 280 E C -2.165 174.455 176.600 0.033 0.000 1.024 280 E CA -1.357 55.061 56.400 0.030 0.000 0.903 280 E CB 0.893 30.605 29.700 0.020 0.000 0.963 280 E HN 0.441 nan 8.360 nan 0.000 0.432 281 P HA 0.012 nan 4.420 nan 0.000 0.275 281 P C 0.222 177.537 177.300 0.024 0.000 1.266 281 P CA -0.063 63.058 63.100 0.036 0.000 0.793 281 P CB 0.786 32.512 31.700 0.042 0.000 1.074 282 E N 0.675 120.887 120.200 0.021 0.000 2.048 282 E HA -0.186 4.163 4.350 -0.003 0.000 0.202 282 E C 1.950 178.556 176.600 0.011 0.000 1.021 282 E CA 1.958 58.365 56.400 0.013 0.000 0.825 282 E CB -0.885 28.822 29.700 0.012 0.000 0.756 282 E HN 0.686 nan 8.360 nan 0.000 0.454 283 G N -0.009 108.799 108.800 0.014 0.000 2.956 283 G HA2 0.261 4.219 3.960 -0.003 0.000 0.207 283 G HA3 0.261 4.219 3.960 -0.003 0.000 0.207 283 G C 0.551 175.458 174.900 0.012 0.000 1.162 283 G CA 0.385 45.491 45.100 0.011 0.000 0.796 283 G HN 0.531 nan 8.290 nan 0.000 0.527 284 G N -0.851 107.958 108.800 0.015 0.000 2.829 284 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.628 284 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.628 284 G C -0.126 174.788 174.900 0.022 0.000 1.412 284 G CA -0.527 44.584 45.100 0.017 0.000 0.864 284 G HN 0.489 nan 8.290 nan 0.000 0.544 285 L N 1.046 122.283 121.223 0.023 0.000 2.466 285 L HA 0.414 4.753 4.340 -0.003 0.000 0.257 285 L C -1.319 175.559 176.870 0.014 0.000 1.189 285 L CA -1.645 53.203 54.840 0.013 0.000 0.813 285 L CB 0.290 42.345 42.059 -0.007 0.000 1.118 285 L HN 0.450 nan 8.230 nan 0.000 0.471 286 P HA -0.015 nan 4.420 nan 0.000 0.264 286 P C -0.792 176.508 177.300 -0.000 0.000 1.183 286 P CA -0.060 63.047 63.100 0.012 0.000 0.763 286 P CB 0.304 32.013 31.700 0.016 0.000 0.807 287 Q N 1.017 120.815 119.800 -0.003 0.000 2.315 287 Q HA 0.175 4.514 4.340 -0.003 0.000 0.289 287 Q C -0.324 175.665 176.000 -0.019 0.000 1.044 287 Q CA 0.591 56.387 55.803 -0.012 0.000 0.920 287 Q CB 0.671 29.404 28.738 -0.009 0.000 1.214 287 Q HN 0.236 nan 8.270 nan 0.000 0.392 288 V N 2.124 122.015 119.914 -0.038 0.000 3.160 288 V HA 0.107 4.225 4.120 -0.003 0.000 0.310 288 V C 0.095 176.149 176.094 -0.067 0.000 1.181 288 V CA -0.549 61.717 62.300 -0.057 0.000 1.047 288 V CB 2.305 34.076 31.823 -0.087 0.000 1.068 288 V HN 0.807 nan 8.190 nan 0.000 0.441 289 D N 0.963 121.318 120.400 -0.075 0.000 2.213 289 D HA 0.092 4.731 4.640 -0.003 0.000 0.205 289 D C 0.697 176.933 176.300 -0.106 0.000 0.961 289 D CA 0.778 54.736 54.000 -0.071 0.000 0.853 289 D CB 0.668 41.438 40.800 -0.051 0.000 0.967 289 D HN 0.277 nan 8.370 nan 0.000 0.496 290 R N 0.241 120.648 120.500 -0.154 0.000 2.566 290 R HA 0.262 4.601 4.340 -0.003 0.000 0.271 290 R C -1.446 174.633 176.300 -0.368 0.000 1.071 290 R CA -0.395 55.544 56.100 -0.268 0.000 0.915 290 R CB 2.180 32.347 30.300 -0.221 0.000 1.228 290 R HN -0.196 nan 8.270 nan 0.000 0.449 291 E N 2.885 122.786 120.200 -0.498 0.000 2.256 291 E HA 0.468 4.817 4.350 -0.003 0.000 0.267 291 E C -1.286 174.966 176.600 -0.579 0.000 0.892 291 E CA -0.618 55.556 56.400 -0.376 0.000 0.775 291 E CB 2.079 31.706 29.700 -0.121 0.000 1.207 291 E HN 0.255 nan 8.360 nan 0.000 0.420 292 F N 0.941 120.932 119.950 0.069 0.000 2.613 292 F HA 0.349 4.874 4.527 -0.003 0.000 0.314 292 F C -1.039 174.954 175.800 0.322 0.000 1.075 292 F CA -1.030 57.063 58.000 0.154 0.000 0.945 292 F CB 1.547 40.623 39.000 0.126 0.000 1.310 292 F HN 0.372 nan 8.300 nan 0.000 0.467 293 Y N 3.104 123.626 120.300 0.370 0.000 2.363 293 Y HA 0.667 5.215 4.550 -0.003 0.000 0.325 293 Y C -1.580 174.493 175.900 0.289 0.000 0.984 293 Y CA -1.859 56.441 58.100 0.334 0.000 1.248 293 Y CB 1.107 39.709 38.460 0.236 0.000 1.116 293 Y HN 0.423 nan 8.280 nan 0.000 0.470 294 V N 7.719 127.843 119.914 0.349 0.000 2.709 294 V HA 0.741 4.859 4.120 -0.003 0.000 0.308 294 V C -1.540 174.593 176.094 0.065 0.000 1.062 294 V CA -0.742 61.630 62.300 0.120 0.000 0.901 294 V CB 1.966 33.840 31.823 0.086 0.000 1.003 294 V HN 0.788 nan 8.190 nan 0.000 0.425 295 M N 4.984 124.595 119.600 0.018 0.000 2.530 295 M HA 0.541 5.019 4.480 -0.003 0.000 0.307 295 M C -0.944 175.496 176.300 0.234 0.000 1.161 295 M CA -0.515 54.773 55.300 -0.020 0.000 0.903 295 M CB 2.413 35.053 32.600 0.067 0.000 1.711 295 M HN 0.836 nan 8.290 nan 0.000 0.451 296 Q N 0.760 120.624 119.800 0.107 0.000 2.274 296 Q HA 0.775 5.114 4.340 -0.003 0.000 0.260 296 Q C -0.964 175.014 176.000 -0.036 0.000 0.974 296 Q CA -0.488 55.449 55.803 0.222 0.000 0.876 296 Q CB 2.147 31.105 28.738 0.368 0.000 1.297 296 Q HN 0.915 nan 8.270 nan 0.000 0.446 297 G N 2.246 111.054 108.800 0.014 0.000 2.687 297 G HA2 0.508 4.466 3.960 -0.003 0.000 0.291 297 G HA3 0.508 4.466 3.960 -0.003 0.000 0.291 297 G C -1.652 173.193 174.900 -0.092 0.000 1.420 297 G CA -0.698 44.340 45.100 -0.104 0.000 0.796 297 G HN 0.602 nan 8.290 nan 0.000 0.485 298 E N -0.951 119.140 120.200 -0.181 0.000 2.277 298 E HA 0.698 5.046 4.350 -0.003 0.000 0.266 298 E C -0.808 175.573 176.600 -0.364 0.000 0.901 298 E CA -0.541 55.570 56.400 -0.482 0.000 0.782 298 E CB 2.974 32.218 29.700 -0.760 0.000 1.228 298 E HN 0.367 nan 8.360 nan 0.000 0.424 299 I N 1.888 122.145 120.570 -0.520 0.000 2.545 299 I HA 0.326 4.494 4.170 -0.003 0.000 0.292 299 I C -1.270 174.556 176.117 -0.486 0.000 1.040 299 I CA -0.934 60.103 61.300 -0.438 0.000 1.068 299 I CB 1.289 38.916 38.000 -0.622 0.000 1.251 299 I HN 0.506 nan 8.210 nan 0.000 0.424 300 Y N 3.556 123.744 120.300 -0.187 0.000 2.575 300 Y HA 0.370 4.918 4.550 -0.002 0.000 0.326 300 Y C 0.345 176.232 175.900 -0.022 0.000 0.979 300 Y CA -0.516 57.528 58.100 -0.093 0.000 1.286 300 Y CB 1.629 40.039 38.460 -0.083 0.000 1.093 300 Y HN 0.345 nan 8.280 nan 0.000 0.501 301 T N 2.198 116.824 114.554 0.120 0.000 2.895 301 T HA 0.262 4.611 4.350 -0.003 0.000 0.283 301 T C 1.189 175.967 174.700 0.130 0.000 1.014 301 T CA -0.449 61.733 62.100 0.137 0.000 1.037 301 T CB 1.542 70.515 68.868 0.174 0.000 1.006 301 T HN 0.432 nan 8.240 nan 0.000 0.468 302 V N 3.177 123.162 119.914 0.119 0.000 2.255 302 V HA -0.097 4.021 4.120 -0.003 0.000 0.247 302 V C 1.293 177.439 176.094 0.087 0.000 1.051 302 V CA 1.644 64.000 62.300 0.094 0.000 1.018 302 V CB -0.378 31.492 31.823 0.079 0.000 0.641 302 V HN 0.714 nan 8.190 nan 0.000 0.445 303 K N 0.336 120.792 120.400 0.093 0.000 2.154 303 K HA 0.294 4.613 4.320 -0.003 0.000 0.264 303 K C 0.330 176.983 176.600 0.088 0.000 1.008 303 K CA -0.222 56.115 56.287 0.083 0.000 0.937 303 K CB 0.847 33.393 32.500 0.077 0.000 1.002 303 K HN 0.206 nan 8.250 nan 0.000 0.469 304 S N 1.395 117.131 115.700 0.060 0.000 2.573 304 S HA -0.009 4.460 4.470 -0.003 0.000 0.277 304 S C -0.045 174.558 174.600 0.004 0.000 1.346 304 S CA -0.539 57.689 58.200 0.046 0.000 1.034 304 S CB 0.063 63.285 63.200 0.035 0.000 0.879 304 S HN 0.437 nan 8.310 nan 0.000 0.528 305 F N 1.980 121.797 119.950 -0.221 0.000 2.604 305 F HA 0.266 4.791 4.527 -0.003 0.000 0.390 305 F C 1.446 177.097 175.800 -0.248 0.000 1.053 305 F CA 1.614 59.320 58.000 -0.490 0.000 1.256 305 F CB -0.203 38.474 39.000 -0.539 0.000 0.996 305 F HN 0.794 nan 8.300 nan 0.000 0.564 306 G N 2.786 110.921 108.800 -1.109 0.000 2.195 306 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.246 306 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.246 306 G C 0.259 174.984 174.900 -0.291 0.000 0.984 306 G CA 0.083 44.746 45.100 -0.728 0.000 0.633 306 G HN 0.894 nan 8.290 nan 0.000 0.525 307 T N 2.059 116.516 114.554 -0.162 0.000 2.884 307 T HA 0.549 4.898 4.350 -0.003 0.000 0.298 307 T C 0.879 175.560 174.700 -0.031 0.000 0.998 307 T CA 0.464 62.533 62.100 -0.053 0.000 1.124 307 T CB 1.585 70.456 68.868 0.005 0.000 0.931 307 T HN 1.135 nan 8.240 nan 0.000 0.531 308 S N 1.977 117.666 115.700 -0.017 0.000 2.707 308 S HA 0.879 5.347 4.470 -0.003 0.000 0.276 308 S C 0.608 175.213 174.600 0.009 0.000 1.179 308 S CA -0.022 58.172 58.200 -0.011 0.000 0.992 308 S CB 0.974 64.168 63.200 -0.010 0.000 1.030 308 S HN 1.539 nan 8.310 nan 0.000 0.554 309 G N 0.176 108.981 108.800 0.009 0.000 2.466 309 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.316 309 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.316 309 G C -1.309 173.602 174.900 0.018 0.000 1.270 309 G CA -0.804 44.305 45.100 0.016 0.000 0.982 309 G HN 0.861 nan 8.290 nan 0.000 0.506 310 E N 1.224 121.436 120.200 0.020 0.000 2.129 310 E HA 0.286 4.634 4.350 -0.003 0.000 0.283 310 E C 0.098 176.716 176.600 0.031 0.000 1.080 310 E CA -0.200 56.212 56.400 0.020 0.000 0.867 310 E CB 0.717 30.423 29.700 0.009 0.000 1.056 310 E HN 0.339 nan 8.360 nan 0.000 0.404 311 Q N 2.379 122.211 119.800 0.054 0.000 2.222 311 Q HA 0.307 4.645 4.340 -0.003 0.000 0.252 311 Q C -0.324 175.745 176.000 0.116 0.000 0.926 311 Q CA -0.055 55.809 55.803 0.102 0.000 0.899 311 Q CB 1.815 30.617 28.738 0.107 0.000 1.250 311 Q HN 0.522 nan 8.270 nan 0.000 0.441 312 E N 1.045 121.314 120.200 0.116 0.000 2.312 312 E HA 0.383 4.731 4.350 -0.003 0.000 0.267 312 E C -0.642 176.052 176.600 0.157 0.000 0.894 312 E CA -0.764 55.669 56.400 0.055 0.000 0.773 312 E CB 2.507 32.217 29.700 0.016 0.000 1.241 312 E HN 0.426 nan 8.360 nan 0.000 0.432 313 M N 2.013 121.681 119.600 0.113 0.000 2.238 313 M HA 0.042 4.520 4.480 -0.003 0.000 0.347 313 M C -0.679 175.689 176.300 0.114 0.000 1.173 313 M CA 0.388 55.782 55.300 0.157 0.000 1.147 313 M CB 0.549 33.187 32.600 0.063 0.000 1.547 313 M HN 0.395 nan 8.290 nan 0.000 0.455 314 D N 3.532 124.010 120.400 0.131 0.000 2.414 314 D HA 0.057 4.695 4.640 -0.003 0.000 0.232 314 D C -0.066 176.292 176.300 0.097 0.000 1.070 314 D CA -0.237 53.832 54.000 0.114 0.000 0.839 314 D CB 0.772 41.636 40.800 0.107 0.000 1.079 314 D HN 0.682 nan 8.370 nan 0.000 0.521 315 Y N 4.310 124.603 120.300 -0.012 0.000 2.242 315 Y HA -0.125 4.423 4.550 -0.003 0.000 0.291 315 Y C 1.824 177.691 175.900 -0.055 0.000 1.137 315 Y CA 1.619 59.691 58.100 -0.048 0.000 1.181 315 Y CB 0.294 38.735 38.460 -0.032 0.000 0.989 315 Y HN 0.438 nan 8.280 nan 0.000 0.527 316 E N 1.102 121.241 120.200 -0.103 0.000 2.077 316 E HA -0.229 4.119 4.350 -0.003 0.000 0.193 316 E C 1.915 178.406 176.600 -0.181 0.000 0.989 316 E CA 1.614 57.908 56.400 -0.178 0.000 0.800 316 E CB -0.110 29.582 29.700 -0.013 0.000 0.746 316 E HN 0.572 nan 8.360 nan 0.000 0.452 317 K N 0.511 120.866 120.400 -0.075 0.000 2.057 317 K HA -0.086 4.233 4.320 -0.003 0.000 0.207 317 K C 2.407 178.924 176.600 -0.138 0.000 1.049 317 K CA 0.941 57.236 56.287 0.014 0.000 0.931 317 K CB -0.236 32.358 32.500 0.157 0.000 0.714 317 K HN 0.173 nan 8.250 nan 0.000 0.440 318 L N 1.404 122.369 121.223 -0.430 0.000 1.970 318 L HA -0.210 4.129 4.340 -0.003 0.000 0.212 318 L C 2.223 178.695 176.870 -0.663 0.000 1.071 318 L CA 1.748 55.995 54.840 -0.988 0.000 0.751 318 L CB -0.321 41.344 42.059 -0.657 0.000 0.889 318 L HN 0.178 nan 8.230 nan 0.000 0.432 319 I N -2.575 117.653 120.570 -0.570 0.000 2.761 319 I HA -0.099 4.070 4.170 -0.003 0.000 0.261 319 I C 1.521 177.470 176.117 -0.279 0.000 1.198 319 I CA 1.062 62.098 61.300 -0.439 0.000 1.482 319 I CB -0.708 36.971 38.000 -0.535 0.000 1.100 319 I HN 0.151 nan 8.210 nan 0.000 0.445 320 N N 1.446 120.007 118.700 -0.232 0.000 2.270 320 N HA 0.033 4.771 4.740 -0.003 0.000 0.198 320 N C -0.336 175.160 175.510 -0.024 0.000 1.117 320 N CA 0.216 53.200 53.050 -0.109 0.000 0.845 320 N CB -0.210 38.233 38.487 -0.075 0.000 0.980 320 N HN 0.474 nan 8.380 nan 0.000 0.486 321 E N 0.214 120.408 120.200 -0.010 0.000 2.340 321 E HA -0.199 4.149 4.350 -0.003 0.000 0.240 321 E C -0.826 176.019 176.600 0.409 0.000 1.154 321 E CA 0.504 57.032 56.400 0.212 0.000 0.717 321 E CB -1.608 28.102 29.700 0.016 0.000 1.250 321 E HN 0.359 nan 8.360 nan 0.000 0.386 322 K N 0.745 121.364 120.400 0.365 0.000 2.682 322 K HA 0.251 4.569 4.320 -0.003 0.000 0.189 322 K C -2.433 174.230 176.600 0.105 0.000 1.062 322 K CA -1.633 54.778 56.287 0.206 0.000 0.997 322 K CB 1.188 33.761 32.500 0.121 0.000 1.405 322 K HN 0.025 nan 8.250 nan 0.000 0.588 323 P HA 0.073 nan 4.420 nan 0.000 0.274 323 P C 0.001 176.923 177.300 -0.630 0.000 1.237 323 P CA -0.109 62.455 63.100 -0.893 0.000 0.793 323 P CB 1.230 32.029 31.700 -1.500 0.000 0.977 324 E N 0.121 119.999 120.200 -0.537 0.000 2.290 324 E HA 0.064 4.412 4.350 -0.003 0.000 0.199 324 E C -0.103 176.282 176.600 -0.358 0.000 0.912 324 E CA 0.956 57.181 56.400 -0.292 0.000 0.924 324 E CB 0.033 29.704 29.700 -0.049 0.000 0.901 324 E HN 0.500 nan 8.360 nan 0.000 0.487 325 Y N -0.377 119.714 120.300 -0.347 0.000 2.364 325 Y HA 0.390 4.939 4.550 -0.003 0.000 0.340 325 Y C -0.465 175.140 175.900 -0.491 0.000 0.975 325 Y CA -0.813 57.171 58.100 -0.193 0.000 1.089 325 Y CB 1.100 39.500 38.460 -0.099 0.000 1.192 325 Y HN -0.229 nan 8.280 nan 0.000 0.454 326 F N 4.101 123.931 119.950 -0.200 0.000 2.458 326 F HA 0.613 5.138 4.527 -0.003 0.000 0.336 326 F C -0.967 174.714 175.800 -0.198 0.000 1.114 326 F CA -0.816 57.032 58.000 -0.253 0.000 0.987 326 F CB 1.204 39.992 39.000 -0.354 0.000 1.130 326 F HN 0.124 nan 8.300 nan 0.000 0.458 327 L N 3.875 125.093 121.223 -0.008 0.000 2.431 327 L HA 0.483 4.821 4.340 -0.003 0.000 0.266 327 L C -1.016 175.845 176.870 -0.016 0.000 0.978 327 L CA -1.130 53.702 54.840 -0.012 0.000 0.822 327 L CB 1.573 43.684 42.059 0.086 0.000 1.310 327 L HN 0.305 nan 8.230 nan 0.000 0.409 328 F N 2.545 122.586 119.950 0.152 0.000 2.408 328 F HA 0.374 4.899 4.527 -0.003 0.000 0.344 328 F C 0.982 176.847 175.800 0.109 0.000 1.112 328 F CA -0.780 57.313 58.000 0.156 0.000 1.096 328 F CB 0.592 39.683 39.000 0.152 0.000 1.129 328 F HN 0.558 nan 8.300 nan 0.000 0.486 329 N N 2.032 120.916 118.700 0.306 0.000 2.716 329 N HA -0.194 4.544 4.740 -0.003 0.000 0.250 329 N C 0.947 176.519 175.510 0.103 0.000 1.033 329 N CA 1.368 54.502 53.050 0.140 0.000 0.727 329 N CB -1.155 37.388 38.487 0.093 0.000 0.950 329 N HN 1.076 nan 8.380 nan 0.000 0.541 330 G N -3.064 105.816 108.800 0.134 0.000 2.234 330 G HA2 -0.198 3.761 3.960 -0.003 0.000 0.235 330 G HA3 -0.198 3.761 3.960 -0.003 0.000 0.235 330 G C 0.075 175.039 174.900 0.106 0.000 0.997 330 G CA 0.490 45.643 45.100 0.088 0.000 0.623 330 G HN 1.051 nan 8.290 nan 0.000 0.514 331 S N -1.552 114.204 115.700 0.092 0.000 2.565 331 S HA 0.571 5.039 4.470 -0.003 0.000 0.269 331 S C -0.202 174.448 174.600 0.084 0.000 1.153 331 S CA 0.104 58.349 58.200 0.075 0.000 0.835 331 S CB 1.771 64.980 63.200 0.015 0.000 1.122 331 S HN 1.095 nan 8.310 nan 0.000 0.462 332 V N 3.124 123.094 119.914 0.094 0.000 2.585 332 V HA 0.438 4.557 4.120 -0.003 0.000 0.296 332 V C 1.686 177.797 176.094 0.030 0.000 1.035 332 V CA 1.350 63.717 62.300 0.112 0.000 1.084 332 V CB 0.159 32.089 31.823 0.180 0.000 0.953 332 V HN 1.547 nan 8.190 nan 0.000 0.483 333 G N 3.768 112.566 108.800 -0.004 0.000 2.162 333 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.260 333 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.260 333 G C 1.222 176.082 174.900 -0.067 0.000 0.976 333 G CA 0.896 45.953 45.100 -0.072 0.000 0.655 333 G HN 0.928 nan 8.290 nan 0.000 0.533 334 S N -0.665 115.034 115.700 -0.001 0.000 2.365 334 S HA -0.001 4.467 4.470 -0.003 0.000 0.225 334 S C 2.065 176.685 174.600 0.033 0.000 1.039 334 S CA 1.691 59.913 58.200 0.037 0.000 1.033 334 S CB -0.183 63.081 63.200 0.106 0.000 0.887 334 S HN 0.620 nan 8.310 nan 0.000 0.447 335 L N 0.709 121.943 121.223 0.018 0.000 2.728 335 L HA 0.193 4.531 4.340 -0.003 0.000 0.238 335 L C 1.986 178.756 176.870 -0.165 0.000 1.143 335 L CA 0.686 55.517 54.840 -0.015 0.000 0.937 335 L CB -0.045 42.032 42.059 0.030 0.000 1.225 335 L HN 0.512 nan 8.230 nan 0.000 0.507 336 T N -3.904 110.490 114.554 -0.266 0.000 3.087 336 T HA 0.089 4.437 4.350 -0.003 0.000 0.237 336 T C 1.923 176.552 174.700 -0.118 0.000 0.990 336 T CA -0.086 61.728 62.100 -0.476 0.000 1.160 336 T CB 0.209 68.588 68.868 -0.815 0.000 0.923 336 T HN 0.110 nan 8.240 nan 0.000 0.442 337 R N 0.628 121.047 120.500 -0.134 0.000 2.221 337 R HA 0.382 4.721 4.340 -0.003 0.000 0.195 337 R C 2.585 178.812 176.300 -0.123 0.000 0.956 337 R CA 0.722 56.753 56.100 -0.116 0.000 1.064 337 R CB 0.133 30.312 30.300 -0.202 0.000 1.049 337 R HN 0.299 nan 8.270 nan 0.000 0.534 338 S N -0.043 115.546 115.700 -0.184 0.000 2.355 338 S HA 0.009 4.478 4.470 -0.003 0.000 0.216 338 S C 0.252 174.516 174.600 -0.561 0.000 1.037 338 S CA 0.811 58.781 58.200 -0.385 0.000 0.955 338 S CB 0.046 62.999 63.200 -0.411 0.000 0.877 338 S HN 0.398 nan 8.310 nan 0.000 0.488 339 H N 0.859 119.958 119.070 0.048 0.000 2.439 339 H HA 0.363 4.917 4.556 -0.003 0.000 0.228 339 H C -2.870 172.481 175.328 0.039 0.000 1.423 339 H CA -1.729 54.370 56.048 0.086 0.000 1.386 339 H CB 0.572 30.388 29.762 0.091 0.000 1.641 339 H HN 0.257 nan 8.280 nan 0.000 0.508 340 P HA -0.040 nan 4.420 nan 0.000 0.271 340 P C -0.107 177.053 177.300 -0.233 0.000 1.233 340 P CA -0.471 62.549 63.100 -0.133 0.000 0.789 340 P CB 1.221 32.780 31.700 -0.235 0.000 0.951 341 L N 1.574 122.619 121.223 -0.297 0.000 2.417 341 L HA 0.251 4.589 4.340 -0.003 0.000 0.268 341 L C 0.085 176.729 176.870 -0.376 0.000 1.158 341 L CA 0.347 54.973 54.840 -0.356 0.000 0.819 341 L CB -0.491 41.102 42.059 -0.776 0.000 1.112 341 L HN 0.296 nan 8.230 nan 0.000 0.458 342 Y N 1.025 121.434 120.300 0.182 0.000 2.421 342 Y HA 0.770 5.318 4.550 -0.003 0.000 0.339 342 Y C 0.068 176.147 175.900 0.299 0.000 0.996 342 Y CA -0.723 57.501 58.100 0.206 0.000 1.046 342 Y CB 2.041 40.610 38.460 0.182 0.000 1.226 342 Y HN 0.697 nan 8.280 nan 0.000 0.445 343 A N 1.048 124.088 122.820 0.367 0.000 2.583 343 A HA 0.910 5.228 4.320 -0.003 0.000 0.289 343 A C -1.260 176.442 177.584 0.196 0.000 1.151 343 A CA -0.824 51.380 52.037 0.278 0.000 0.695 343 A CB 1.428 20.587 19.000 0.266 0.000 1.290 343 A HN 0.498 nan 8.150 nan 0.000 0.419 344 S N -0.581 115.199 115.700 0.134 0.000 2.568 344 S HA 0.610 5.079 4.470 -0.003 0.000 0.302 344 S C 0.021 174.671 174.600 0.083 0.000 1.082 344 S CA -0.211 58.051 58.200 0.103 0.000 1.009 344 S CB 1.643 64.887 63.200 0.074 0.000 1.069 344 S HN 1.865 nan 8.310 nan 0.000 0.500 345 V N 1.759 121.722 119.914 0.082 0.000 2.740 345 V HA 0.543 4.661 4.120 -0.003 0.000 0.303 345 V C 1.140 177.262 176.094 0.046 0.000 1.054 345 V CA 1.273 63.615 62.300 0.071 0.000 1.106 345 V CB 0.029 31.899 31.823 0.079 0.000 0.957 345 V HN 1.463 nan 8.190 nan 0.000 0.486 346 G N 3.209 112.030 108.800 0.036 0.000 2.253 346 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.251 346 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.251 346 G C 0.157 175.063 174.900 0.010 0.000 0.998 346 G CA 0.431 45.545 45.100 0.023 0.000 0.621 346 G HN 1.001 nan 8.290 nan 0.000 0.524 347 E N 1.380 121.584 120.200 0.007 0.000 2.384 347 E HA 0.379 4.728 4.350 -0.003 0.000 0.266 347 E C -0.009 176.559 176.600 -0.053 0.000 1.012 347 E CA 0.360 56.751 56.400 -0.016 0.000 0.901 347 E CB 0.493 30.190 29.700 -0.005 0.000 0.967 347 E HN 0.158 nan 8.360 nan 0.000 0.435 348 T N 2.701 117.217 114.554 -0.064 0.000 2.780 348 T HA 0.256 4.604 4.350 -0.003 0.000 0.294 348 T C -0.263 174.330 174.700 -0.177 0.000 0.949 348 T CA -0.456 61.581 62.100 -0.106 0.000 1.074 348 T CB 0.688 69.529 68.868 -0.045 0.000 0.910 348 T HN 0.083 nan 8.240 nan 0.000 0.501 349 V N 4.130 123.833 119.914 -0.351 0.000 2.628 349 V HA 0.620 4.739 4.120 -0.003 0.000 0.306 349 V C 0.068 175.927 176.094 -0.392 0.000 1.045 349 V CA -1.003 61.069 62.300 -0.379 0.000 0.905 349 V CB 2.037 33.560 31.823 -0.500 0.000 0.997 349 V HN 0.747 nan 8.190 nan 0.000 0.436 350 R N 3.913 124.279 120.500 -0.222 0.000 2.494 350 R HA 0.712 5.050 4.340 -0.003 0.000 0.305 350 R C -1.506 174.730 176.300 -0.106 0.000 0.959 350 R CA -0.473 55.497 56.100 -0.217 0.000 0.864 350 R CB 1.350 31.432 30.300 -0.364 0.000 1.159 350 R HN 0.701 nan 8.270 nan 0.000 0.446 351 I N 5.078 125.637 120.570 -0.019 0.000 2.362 351 I HA 0.299 4.468 4.170 -0.003 0.000 0.289 351 I C -0.747 175.344 176.117 -0.043 0.000 0.994 351 I CA -0.749 60.617 61.300 0.110 0.000 1.158 351 I CB 1.447 39.629 38.000 0.303 0.000 1.315 351 I HN 0.551 nan 8.210 nan 0.000 0.451 352 F N 6.594 126.680 119.950 0.227 0.000 2.413 352 F HA 0.297 4.823 4.527 -0.002 0.000 0.359 352 F C -0.145 175.830 175.800 0.291 0.000 1.122 352 F CA -0.309 57.843 58.000 0.254 0.000 1.160 352 F CB 0.455 39.695 39.000 0.399 0.000 1.146 352 F HN 0.298 nan 8.300 nan 0.000 0.514 353 F N 3.140 123.169 119.950 0.133 0.000 2.477 353 F HA 0.790 5.316 4.527 -0.002 0.000 0.335 353 F C -0.196 175.601 175.800 -0.005 0.000 1.130 353 F CA -0.833 57.117 58.000 -0.083 0.000 0.948 353 F CB 1.254 39.915 39.000 -0.565 0.000 1.154 353 F HN 0.434 nan 8.300 nan 0.000 0.439 354 G N 3.924 112.256 108.800 -0.780 0.000 2.574 354 G HA2 0.590 4.549 3.960 -0.003 0.000 0.299 354 G HA3 0.590 4.549 3.960 -0.003 0.000 0.299 354 G C -2.148 172.312 174.900 -0.734 0.000 1.298 354 G CA -0.895 43.871 45.100 -0.556 0.000 0.952 354 G HN 0.524 nan 8.290 nan 0.000 0.477 355 V N 1.543 121.207 119.914 -0.417 0.000 2.334 355 V HA 0.447 4.565 4.120 -0.003 0.000 0.281 355 V C 1.313 177.226 176.094 -0.303 0.000 1.016 355 V CA 0.348 62.462 62.300 -0.311 0.000 0.832 355 V CB 0.940 32.692 31.823 -0.119 0.000 0.999 355 V HN 0.988 nan 8.190 nan 0.000 0.439 356 G N 3.030 111.492 108.800 -0.564 0.000 2.404 356 G HA2 0.352 4.310 3.960 -0.003 0.000 0.215 356 G HA3 0.352 4.310 3.960 -0.003 0.000 0.215 356 G C 0.980 175.559 174.900 -0.535 0.000 1.174 356 G CA 1.180 45.758 45.100 -0.869 0.000 0.780 356 G HN 1.431 nan 8.290 nan 0.000 0.537 357 G N 0.375 108.917 108.800 -0.430 0.000 2.603 357 G HA2 -0.215 3.744 3.960 -0.003 0.000 0.245 357 G HA3 -0.215 3.744 3.960 -0.003 0.000 0.245 357 G C -1.168 173.681 174.900 -0.084 0.000 1.195 357 G CA 0.489 45.504 45.100 -0.142 0.000 0.953 357 G HN 0.364 nan 8.290 nan 0.000 0.566 358 P HA 0.091 nan 4.420 nan 0.000 0.229 358 P C 0.885 178.179 177.300 -0.011 0.000 1.160 358 P CA 1.432 64.517 63.100 -0.026 0.000 0.777 358 P CB 0.005 31.692 31.700 -0.020 0.000 0.814 359 N N -1.480 117.262 118.700 0.070 0.000 2.382 359 N HA 0.123 4.861 4.740 -0.003 0.000 0.200 359 N C -0.006 175.381 175.510 -0.205 0.000 1.122 359 N CA 0.171 53.174 53.050 -0.079 0.000 0.870 359 N CB 0.261 38.655 38.487 -0.155 0.000 1.176 359 N HN 0.130 nan 8.380 nan 0.000 0.474 360 F N 1.257 121.263 119.950 0.092 0.000 2.443 360 F HA 0.262 4.788 4.527 -0.002 0.000 0.335 360 F C 1.066 176.939 175.800 0.121 0.000 1.104 360 F CA -0.895 57.188 58.000 0.139 0.000 1.013 360 F CB 1.601 40.771 39.000 0.284 0.000 1.136 360 F HN -0.290 nan 8.300 nan 0.000 0.470 361 T N 1.342 116.038 114.554 0.237 0.000 2.832 361 T HA 0.278 4.627 4.350 -0.003 0.000 0.296 361 T C 0.007 174.856 174.700 0.249 0.000 0.968 361 T CA -0.479 61.743 62.100 0.205 0.000 1.107 361 T CB 0.882 69.832 68.868 0.136 0.000 0.916 361 T HN 0.577 nan 8.240 nan 0.000 0.517 362 S N 3.038 118.911 115.700 0.289 0.000 2.585 362 S HA 0.465 4.933 4.470 -0.003 0.000 0.277 362 S C 0.066 174.855 174.600 0.316 0.000 1.241 362 S CA -0.774 57.631 58.200 0.342 0.000 1.041 362 S CB 0.613 64.148 63.200 0.559 0.000 0.987 362 S HN 0.779 nan 8.310 nan 0.000 0.512 363 S N 4.366 120.225 115.700 0.266 0.000 2.790 363 S HA 0.305 4.773 4.470 -0.003 0.000 0.202 363 S C -0.664 174.109 174.600 0.288 0.000 1.383 363 S CA -0.485 57.858 58.200 0.238 0.000 1.026 363 S CB -0.527 62.771 63.200 0.163 0.000 1.253 363 S HN 0.629 nan 8.310 nan 0.000 0.489 364 F N 3.819 123.850 119.950 0.135 0.000 2.504 364 F HA 0.425 4.951 4.527 -0.002 0.000 0.369 364 F C 0.174 176.119 175.800 0.243 0.000 1.082 364 F CA -0.098 57.905 58.000 0.006 0.000 1.216 364 F CB 0.271 38.998 39.000 -0.455 0.000 1.108 364 F HN 0.549 nan 8.300 nan 0.000 0.554 365 H N 3.666 122.376 119.070 -0.601 0.000 2.974 365 H HA 0.595 5.150 4.556 -0.003 0.000 0.366 365 H C -1.917 173.041 175.328 -0.617 0.000 1.155 365 H CA -0.829 54.965 56.048 -0.422 0.000 1.186 365 H CB 1.699 31.391 29.762 -0.117 0.000 1.799 365 H HN 0.378 nan 8.280 nan 0.000 0.541 366 V N 6.646 125.848 119.914 -1.187 0.000 2.313 366 V HA 0.238 4.357 4.120 -0.003 0.000 0.278 366 V C 0.380 175.902 176.094 -0.954 0.000 1.017 366 V CA -0.626 61.157 62.300 -0.862 0.000 0.823 366 V CB 0.640 32.041 31.823 -0.704 0.000 1.010 366 V HN 0.680 nan 8.190 nan 0.000 0.443 367 I N 4.865 125.100 120.570 -0.557 0.000 2.741 367 I HA 0.263 4.431 4.170 -0.003 0.000 0.288 367 I C 1.492 177.550 176.117 -0.099 0.000 1.192 367 I CA 1.466 62.625 61.300 -0.234 0.000 1.426 367 I CB 0.145 38.122 38.000 -0.038 0.000 1.367 367 I HN 0.909 nan 8.210 nan 0.000 0.563 368 G N 3.890 112.653 108.800 -0.062 0.000 2.194 368 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.236 368 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.236 368 G C 0.128 175.067 174.900 0.065 0.000 0.987 368 G CA -0.345 44.805 45.100 0.082 0.000 0.635 368 G HN 0.564 nan 8.290 nan 0.000 0.520 369 E N -0.717 119.338 120.200 -0.242 0.000 2.393 369 E HA 0.809 5.158 4.350 -0.003 0.000 0.265 369 E C -0.461 175.781 176.600 -0.596 0.000 0.941 369 E CA -0.637 55.491 56.400 -0.454 0.000 0.801 369 E CB 1.994 31.243 29.700 -0.753 0.000 1.313 369 E HN 0.298 nan 8.360 nan 0.000 0.435 370 I N 0.853 121.089 120.570 -0.557 0.000 2.619 370 I HA 0.317 4.485 4.170 -0.003 0.000 0.292 370 I C -0.598 175.256 176.117 -0.438 0.000 1.100 370 I CA -0.750 60.238 61.300 -0.519 0.000 1.043 370 I CB 1.554 39.409 38.000 -0.242 0.000 1.239 370 I HN 0.302 nan 8.210 nan 0.000 0.420 371 F N 4.077 123.918 119.950 -0.180 0.000 2.471 371 F HA 0.123 4.649 4.527 -0.002 0.000 0.365 371 F C 1.281 177.062 175.800 -0.032 0.000 1.095 371 F CA -0.462 57.505 58.000 -0.054 0.000 1.174 371 F CB 0.459 39.464 39.000 0.007 0.000 1.105 371 F HN 0.532 nan 8.300 nan 0.000 0.535 372 D N 0.789 121.293 120.400 0.173 0.000 2.117 372 D HA -0.125 4.513 4.640 -0.003 0.000 0.197 372 D C 0.520 176.597 176.300 -0.371 0.000 0.987 372 D CA 1.651 55.580 54.000 -0.119 0.000 0.829 372 D CB 0.054 40.771 40.800 -0.138 0.000 0.961 372 D HN 0.444 nan 8.370 nan 0.000 0.460 373 H N -0.907 118.266 119.070 0.172 0.000 2.667 373 H HA 0.454 5.008 4.556 -0.003 0.000 0.353 373 H C -0.788 174.595 175.328 0.091 0.000 1.072 373 H CA -0.561 55.525 56.048 0.063 0.000 1.214 373 H CB 2.039 31.804 29.762 0.004 0.000 1.600 373 H HN -0.278 nan 8.280 nan 0.000 0.527 374 V N 4.298 124.283 119.914 0.118 0.000 2.407 374 V HA 0.124 4.243 4.120 -0.003 0.000 0.291 374 V C -0.755 175.358 176.094 0.031 0.000 1.018 374 V CA -0.791 61.570 62.300 0.103 0.000 0.842 374 V CB 1.048 32.932 31.823 0.101 0.000 0.996 374 V HN 0.604 nan 8.190 nan 0.000 0.426 375 Y N 2.766 123.099 120.300 0.055 0.000 2.627 375 Y HA 0.245 4.793 4.550 -0.003 0.000 0.347 375 Y C 1.344 177.274 175.900 0.049 0.000 1.099 375 Y CA -0.334 57.795 58.100 0.048 0.000 1.408 375 Y CB 0.242 38.722 38.460 0.033 0.000 1.247 375 Y HN 0.668 nan 8.280 nan 0.000 0.506 376 S N 4.025 119.797 115.700 0.121 0.000 2.563 376 S HA 0.017 4.486 4.470 -0.003 0.000 0.294 376 S C 0.888 175.553 174.600 0.110 0.000 1.279 376 S CA -0.392 57.870 58.200 0.104 0.000 1.069 376 S CB 0.196 63.438 63.200 0.070 0.000 0.828 376 S HN 0.824 nan 8.310 nan 0.000 0.497 377 L N 1.095 122.383 121.223 0.107 0.000 4.312 377 L HA -0.322 4.016 4.340 -0.003 0.000 0.427 377 L C 1.422 178.344 176.870 0.086 0.000 1.149 377 L CA 0.498 55.396 54.840 0.096 0.000 0.978 377 L CB -2.380 39.729 42.059 0.083 0.000 1.963 377 L HN 1.237 nan 8.230 nan 0.000 0.970 378 G N -0.741 108.118 108.800 0.099 0.000 2.162 378 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.260 378 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.260 378 G C 0.302 175.223 174.900 0.035 0.000 0.976 378 G CA 0.622 45.755 45.100 0.056 0.000 0.655 378 G HN 0.671 nan 8.290 nan 0.000 0.533 379 S N -0.623 115.132 115.700 0.092 0.000 2.525 379 S HA 0.384 4.852 4.470 -0.003 0.000 0.285 379 S C 1.429 176.140 174.600 0.185 0.000 1.283 379 S CA 0.345 58.603 58.200 0.098 0.000 1.072 379 S CB 1.306 64.564 63.200 0.097 0.000 0.867 379 S HN 0.749 nan 8.310 nan 0.000 0.492 380 V N 5.558 125.547 119.914 0.125 0.000 3.660 380 V HA 0.042 4.160 4.120 -0.003 0.000 0.276 380 V C 1.528 177.725 176.094 0.170 0.000 1.317 380 V CA 0.560 62.961 62.300 0.168 0.000 1.097 380 V CB 0.593 32.429 31.823 0.023 0.000 0.863 380 V HN 0.838 nan 8.190 nan 0.000 0.438 381 V N -1.351 118.636 119.914 0.121 0.000 2.685 381 V HA 0.087 4.205 4.120 -0.003 0.000 0.244 381 V C 1.220 177.360 176.094 0.077 0.000 1.054 381 V CA 0.602 62.957 62.300 0.091 0.000 1.076 381 V CB 0.127 31.994 31.823 0.072 0.000 0.725 381 V HN 0.427 nan 8.190 nan 0.000 0.467 382 S N 1.038 116.783 115.700 0.074 0.000 2.585 382 S HA 0.312 4.780 4.470 -0.003 0.000 0.273 382 S C -2.259 172.347 174.600 0.011 0.000 1.339 382 S CA -0.576 57.650 58.200 0.042 0.000 1.028 382 S CB 0.635 63.859 63.200 0.040 0.000 0.906 382 S HN 0.253 nan 8.310 nan 0.000 0.528 383 P HA 0.223 nan 4.420 nan 0.000 0.267 383 P C -2.396 174.824 177.300 -0.133 0.000 1.205 383 P CA -0.924 62.136 63.100 -0.067 0.000 0.765 383 P CB -0.483 31.197 31.700 -0.033 0.000 0.828 384 P HA 0.108 nan 4.420 nan 0.000 0.270 384 P C -0.157 177.077 177.300 -0.109 0.000 1.223 384 P CA -0.074 62.796 63.100 -0.385 0.000 0.785 384 P CB 0.478 31.658 31.700 -0.868 0.000 0.923 385 L N 1.380 122.573 121.223 -0.050 0.000 2.452 385 L HA 0.293 4.631 4.340 -0.003 0.000 0.267 385 L C 0.552 177.444 176.870 0.038 0.000 1.188 385 L CA -0.193 54.654 54.840 0.013 0.000 0.821 385 L CB -0.006 42.072 42.059 0.031 0.000 1.102 385 L HN 0.236 nan 8.230 nan 0.000 0.470 386 I N 0.897 121.479 120.570 0.021 0.000 2.433 386 I HA 0.411 4.579 4.170 -0.003 0.000 0.292 386 I C 0.457 176.558 176.117 -0.027 0.000 1.001 386 I CA -0.403 60.880 61.300 -0.030 0.000 1.119 386 I CB 1.767 39.751 38.000 -0.026 0.000 1.289 386 I HN 0.744 nan 8.210 nan 0.000 0.438 387 G N 4.636 113.409 108.800 -0.045 0.000 2.462 387 G HA2 -0.101 3.857 3.960 -0.003 0.000 0.283 387 G HA3 -0.101 3.857 3.960 -0.003 0.000 0.283 387 G C -0.776 174.125 174.900 0.002 0.000 1.043 387 G CA -0.532 44.550 45.100 -0.030 0.000 1.300 387 G HN 0.440 nan 8.290 nan 0.000 0.518 388 V N 2.541 122.486 119.914 0.052 0.000 2.656 388 V HA 0.481 4.600 4.120 -0.003 0.000 0.307 388 V C 1.267 177.376 176.094 0.025 0.000 1.051 388 V CA 0.043 62.397 62.300 0.090 0.000 0.893 388 V CB 1.867 33.808 31.823 0.197 0.000 0.999 388 V HN 0.778 nan 8.190 nan 0.000 0.426 389 Q N 2.171 121.955 119.800 -0.026 0.000 2.204 389 Q HA 0.116 4.454 4.340 -0.003 0.000 0.198 389 Q C 0.005 175.987 176.000 -0.030 0.000 0.946 389 Q CA 0.838 56.564 55.803 -0.128 0.000 0.859 389 Q CB 0.528 29.207 28.738 -0.098 0.000 0.946 389 Q HN 0.633 nan 8.270 nan 0.000 0.474 390 T N 1.001 115.645 114.554 0.149 0.000 3.105 390 T HA 0.434 4.782 4.350 -0.003 0.000 0.321 390 T C -1.836 173.029 174.700 0.276 0.000 1.135 390 T CA -0.628 61.613 62.100 0.235 0.000 1.053 390 T CB 2.298 71.172 68.868 0.009 0.000 1.133 390 T HN 0.148 nan 8.240 nan 0.000 0.463 391 V N 2.663 122.788 119.914 0.352 0.000 2.540 391 V HA 0.766 4.885 4.120 -0.003 0.000 0.302 391 V C -0.185 176.064 176.094 0.258 0.000 1.035 391 V CA -0.408 62.050 62.300 0.264 0.000 0.873 391 V CB 1.951 33.905 31.823 0.218 0.000 0.992 391 V HN 0.901 nan 8.190 nan 0.000 0.428 392 S N 5.121 120.940 115.700 0.199 0.000 2.465 392 S HA 0.630 5.098 4.470 -0.003 0.000 0.279 392 S C -0.680 174.046 174.600 0.210 0.000 1.201 392 S CA -0.403 57.913 58.200 0.193 0.000 1.053 392 S CB 0.600 63.881 63.200 0.135 0.000 0.953 392 S HN 0.761 nan 8.310 nan 0.000 0.488 393 V N 8.810 128.879 119.914 0.257 0.000 2.443 393 V HA 0.471 4.589 4.120 -0.003 0.000 0.293 393 V C -2.083 174.122 176.094 0.185 0.000 1.021 393 V CA -1.805 60.641 62.300 0.242 0.000 0.848 393 V CB 1.617 33.656 31.823 0.360 0.000 0.998 393 V HN 0.725 nan 8.190 nan 0.000 0.424 394 P HA 0.298 nan 4.420 nan 0.000 0.274 394 P C -2.741 174.603 177.300 0.073 0.000 1.237 394 P CA -1.849 61.309 63.100 0.098 0.000 0.793 394 P CB 0.380 32.128 31.700 0.080 0.000 0.977 395 P HA -0.016 nan 4.420 nan 0.000 0.269 395 P C 0.916 178.239 177.300 0.039 0.000 1.209 395 P CA 0.995 64.102 63.100 0.012 0.000 0.776 395 P CB -0.154 31.542 31.700 -0.006 0.000 0.876 396 G N 1.034 109.856 108.800 0.037 0.000 2.155 396 G HA2 -0.135 3.824 3.960 -0.003 0.000 0.257 396 G HA3 -0.135 3.824 3.960 -0.003 0.000 0.257 396 G C 0.411 175.465 174.900 0.256 0.000 0.983 396 G CA 0.014 45.234 45.100 0.200 0.000 0.676 396 G HN 0.945 nan 8.290 nan 0.000 0.528 397 G N -1.403 107.471 108.800 0.123 0.000 2.569 397 G HA2 1.010 4.968 3.960 -0.003 0.000 0.300 397 G HA3 1.010 4.968 3.960 -0.003 0.000 0.300 397 G C -0.494 174.434 174.900 0.048 0.000 1.269 397 G CA 0.138 45.311 45.100 0.123 0.000 0.959 397 G HN 1.607 nan 8.290 nan 0.000 0.478 398 A N -0.410 122.446 122.820 0.059 0.000 2.556 398 A HA 0.919 5.237 4.320 -0.003 0.000 0.294 398 A C -0.483 177.151 177.584 0.083 0.000 1.091 398 A CA -0.447 51.607 52.037 0.028 0.000 0.704 398 A CB 1.939 20.952 19.000 0.022 0.000 1.300 398 A HN 1.040 nan 8.150 nan 0.000 0.406 399 T N -0.278 114.353 114.554 0.128 0.000 2.804 399 T HA 0.736 5.084 4.350 -0.003 0.000 0.290 399 T C -1.390 173.392 174.700 0.136 0.000 1.099 399 T CA -0.294 61.892 62.100 0.143 0.000 1.011 399 T CB 0.793 69.760 68.868 0.166 0.000 1.291 399 T HN 0.541 nan 8.240 nan 0.000 0.523 400 I N 1.976 122.609 120.570 0.105 0.000 2.498 400 I HA 0.578 4.747 4.170 -0.003 0.000 0.290 400 I C -0.621 175.556 176.117 0.100 0.000 1.032 400 I CA -1.067 60.225 61.300 -0.013 0.000 1.073 400 I CB 2.082 39.896 38.000 -0.311 0.000 1.251 400 I HN 0.398 nan 8.210 nan 0.000 0.426 401 V N 1.271 121.185 119.914 -0.000 0.000 2.604 401 V HA 0.704 4.822 4.120 -0.003 0.000 0.305 401 V C -1.212 174.989 176.094 0.180 0.000 1.043 401 V CA -0.398 61.908 62.300 0.010 0.000 0.888 401 V CB 1.938 33.441 31.823 -0.533 0.000 0.995 401 V HN 0.532 nan 8.190 nan 0.000 0.429 402 D N 4.495 125.085 120.400 0.316 0.000 2.481 402 D HA 0.828 5.467 4.640 -0.003 0.000 0.244 402 D C -0.843 175.710 176.300 0.423 0.000 1.057 402 D CA 0.223 54.375 54.000 0.254 0.000 0.848 402 D CB 2.053 43.027 40.800 0.290 0.000 1.388 402 D HN 0.798 nan 8.370 nan 0.000 0.475 403 F N -1.299 118.727 119.950 0.126 0.000 2.654 403 F HA 0.384 4.910 4.527 -0.003 0.000 0.314 403 F C -0.617 175.199 175.800 0.028 0.000 1.116 403 F CA -1.285 56.760 58.000 0.074 0.000 1.017 403 F CB 1.214 40.261 39.000 0.080 0.000 1.285 403 F HN -0.051 nan 8.300 nan 0.000 0.448 404 K N 3.893 124.356 120.400 0.106 0.000 2.322 404 K HA 0.473 4.792 4.320 -0.003 0.000 0.283 404 K C -0.734 175.908 176.600 0.070 0.000 1.042 404 K CA -0.398 55.908 56.287 0.032 0.000 0.958 404 K CB 0.661 33.184 32.500 0.039 0.000 0.984 404 K HN 0.829 nan 8.250 nan 0.000 0.473 405 I N 5.189 125.762 120.570 0.006 0.000 2.291 405 I HA 0.023 4.192 4.170 -0.003 0.000 0.292 405 I C 0.007 176.137 176.117 0.021 0.000 1.064 405 I CA -0.235 61.062 61.300 -0.004 0.000 1.269 405 I CB 1.088 39.068 38.000 -0.033 0.000 1.418 405 I HN 0.725 nan 8.210 nan 0.000 0.485 406 D N 5.278 125.696 120.400 0.030 0.000 2.305 406 D HA 0.014 4.652 4.640 -0.003 0.000 0.206 406 D C 0.435 176.776 176.300 0.068 0.000 0.974 406 D CA 0.568 54.595 54.000 0.045 0.000 0.871 406 D CB 0.308 41.132 40.800 0.039 0.000 0.947 406 D HN 0.565 nan 8.370 nan 0.000 0.516 407 R N -0.917 119.647 120.500 0.107 0.000 2.747 407 R HA 0.735 5.073 4.340 -0.003 0.000 0.272 407 R C -1.444 174.980 176.300 0.207 0.000 1.032 407 R CA -1.145 55.032 56.100 0.128 0.000 0.896 407 R CB 0.826 31.192 30.300 0.110 0.000 1.253 407 R HN -0.126 nan 8.270 nan 0.000 0.461 408 A N 0.103 123.013 122.820 0.149 0.000 2.346 408 A HA 0.780 5.098 4.320 -0.003 0.000 0.252 408 A C 0.436 178.065 177.584 0.075 0.000 1.089 408 A CA 0.371 52.491 52.037 0.139 0.000 0.797 408 A CB 0.065 19.107 19.000 0.069 0.000 1.047 408 A HN 1.309 nan 8.150 nan 0.000 0.494 409 G N -0.653 108.125 108.800 -0.036 0.000 2.339 409 G HA2 0.430 4.388 3.960 -0.003 0.000 0.302 409 G HA3 0.430 4.388 3.960 -0.003 0.000 0.302 409 G C -1.043 173.587 174.900 -0.450 0.000 1.425 409 G CA -0.612 44.257 45.100 -0.384 0.000 0.899 409 G HN 1.008 nan 8.290 nan 0.000 0.619 410 R N 0.319 120.509 120.500 -0.517 0.000 2.215 410 R HA 0.646 4.984 4.340 -0.003 0.000 0.337 410 R C -1.040 174.946 176.300 -0.523 0.000 1.010 410 R CA -0.532 55.310 56.100 -0.429 0.000 0.871 410 R CB -0.024 29.996 30.300 -0.468 0.000 1.134 410 R HN 0.473 nan 8.270 nan 0.000 0.477 411 Y N 4.103 124.345 120.300 -0.096 0.000 2.335 411 Y HA 0.443 4.991 4.550 -0.003 0.000 0.323 411 Y C 0.344 176.218 175.900 -0.043 0.000 1.224 411 Y CA -0.680 57.367 58.100 -0.088 0.000 1.241 411 Y CB 1.406 39.825 38.460 -0.068 0.000 1.235 411 Y HN 0.378 nan 8.280 nan 0.000 0.492 412 I N 3.641 124.253 120.570 0.069 0.000 2.468 412 I HA 0.183 4.352 4.170 -0.003 0.000 0.284 412 I C -1.401 174.708 176.117 -0.014 0.000 1.038 412 I CA -0.704 60.660 61.300 0.107 0.000 1.083 412 I CB 1.178 39.243 38.000 0.109 0.000 1.223 412 I HN 0.266 nan 8.210 nan 0.000 0.443 413 L N 7.755 128.973 121.223 -0.009 0.000 2.367 413 L HA 0.474 4.813 4.340 -0.003 0.000 0.275 413 L C 0.110 177.044 176.870 0.107 0.000 1.129 413 L CA 0.074 54.837 54.840 -0.128 0.000 0.839 413 L CB 1.066 43.003 42.059 -0.203 0.000 1.133 413 L HN 0.437 nan 8.230 nan 0.000 0.453 414 V N -0.831 119.110 119.914 0.046 0.000 3.147 414 V HA 0.580 4.698 4.120 -0.003 0.000 0.306 414 V C -0.910 175.330 176.094 0.243 0.000 1.209 414 V CA -1.022 61.401 62.300 0.204 0.000 1.023 414 V CB 2.106 33.935 31.823 0.009 0.000 1.059 414 V HN 0.590 nan 8.190 nan 0.000 0.435 415 D N 1.191 121.717 120.400 0.209 0.000 2.336 415 D HA 0.196 4.834 4.640 -0.003 0.000 0.249 415 D C 0.743 177.054 176.300 0.019 0.000 1.213 415 D CA 0.207 54.288 54.000 0.134 0.000 0.870 415 D CB 0.623 41.447 40.800 0.041 0.000 1.076 415 D HN 0.777 nan 8.370 nan 0.000 0.483 416 H N 2.989 122.062 119.070 0.005 0.000 2.563 416 H HA 0.086 4.640 4.556 -0.003 0.000 0.272 416 H C -0.198 175.077 175.328 -0.088 0.000 1.005 416 H CA 0.337 56.348 56.048 -0.062 0.000 1.171 416 H CB 0.130 29.825 29.762 -0.112 0.000 1.351 416 H HN 0.433 nan 8.280 nan 0.000 0.602 417 A N 1.522 124.339 122.820 -0.006 0.000 2.797 417 A HA 0.095 4.414 4.320 -0.003 0.000 0.296 417 A C 1.030 178.501 177.584 -0.190 0.000 1.580 417 A CA -0.297 51.690 52.037 -0.084 0.000 1.277 417 A CB -0.457 18.461 19.000 -0.135 0.000 1.101 417 A HN 0.214 nan 8.150 nan 0.000 0.562 418 L N 1.719 122.842 121.223 -0.167 0.000 2.465 418 L HA -0.018 4.321 4.340 -0.003 0.000 0.224 418 L C 2.346 179.089 176.870 -0.212 0.000 1.145 418 L CA 1.383 56.088 54.840 -0.225 0.000 0.834 418 L CB -1.162 40.753 42.059 -0.241 0.000 0.944 418 L HN 0.609 nan 8.230 nan 0.000 0.451 419 S N -0.380 115.207 115.700 -0.189 0.000 2.440 419 S HA -0.181 4.288 4.470 -0.003 0.000 0.238 419 S C 1.939 176.411 174.600 -0.213 0.000 1.010 419 S CA 0.958 59.052 58.200 -0.177 0.000 0.972 419 S CB -0.172 62.954 63.200 -0.123 0.000 0.774 419 S HN 0.478 nan 8.310 nan 0.000 0.501 420 R N 0.625 120.919 120.500 -0.342 0.000 2.235 420 R HA 0.124 4.462 4.340 -0.003 0.000 0.213 420 R C 1.913 178.015 176.300 -0.329 0.000 1.059 420 R CA 0.449 56.276 56.100 -0.455 0.000 0.997 420 R CB -0.366 29.375 30.300 -0.933 0.000 0.884 420 R HN 0.369 nan 8.270 nan 0.000 0.462 421 L N 1.118 122.168 121.223 -0.287 0.000 2.079 421 L HA -0.215 4.124 4.340 -0.003 0.000 0.210 421 L C 1.613 178.310 176.870 -0.287 0.000 1.081 421 L CA 1.556 56.251 54.840 -0.242 0.000 0.752 421 L CB -0.240 41.700 42.059 -0.198 0.000 0.896 421 L HN 0.298 nan 8.230 nan 0.000 0.433 422 E N -1.735 118.241 120.200 -0.373 0.000 2.489 422 E HA -0.043 4.305 4.350 -0.003 0.000 0.193 422 E C 0.873 176.838 176.600 -1.057 0.000 1.057 422 E CA 0.109 56.208 56.400 -0.502 0.000 0.866 422 E CB 0.171 29.628 29.700 -0.404 0.000 0.916 422 E HN 0.569 nan 8.360 nan 0.000 0.500 423 H N -0.373 118.132 119.070 -0.941 0.000 2.542 423 H HA 0.199 4.753 4.556 -0.002 0.000 0.283 423 H C 1.160 175.928 175.328 -0.933 0.000 1.059 423 H CA 0.708 55.859 56.048 -1.495 0.000 1.162 423 H CB 1.366 30.753 29.762 -0.625 0.000 1.539 423 H HN 0.371 nan 8.280 nan 0.000 0.543 424 G N 0.815 109.371 108.800 -0.406 0.000 2.192 424 G HA2 -0.201 3.758 3.960 -0.003 0.000 0.193 424 G HA3 -0.201 3.758 3.960 -0.003 0.000 0.193 424 G C 0.152 174.999 174.900 -0.088 0.000 0.999 424 G CA -0.377 44.715 45.100 -0.013 0.000 0.659 424 G HN 0.311 nan 8.290 nan 0.000 0.503 425 L N 1.654 122.757 121.223 -0.200 0.000 2.352 425 L HA 0.727 5.065 4.340 -0.003 0.000 0.272 425 L C -0.335 176.396 176.870 -0.232 0.000 1.109 425 L CA -0.581 54.039 54.840 -0.366 0.000 0.952 425 L CB 0.994 42.790 42.059 -0.439 0.000 1.314 425 L HN 0.146 nan 8.230 nan 0.000 0.427 426 V N 2.829 122.710 119.914 -0.055 0.000 3.098 426 V HA 0.878 4.997 4.120 -0.003 0.000 0.294 426 V C -0.667 175.543 176.094 0.194 0.000 1.351 426 V CA -0.160 62.215 62.300 0.125 0.000 0.999 426 V CB 2.334 34.134 31.823 -0.038 0.000 1.104 426 V HN 0.598 nan 8.190 nan 0.000 0.438 427 G N 3.818 112.708 108.800 0.151 0.000 2.660 427 G HA2 0.767 4.725 3.960 -0.003 0.000 0.294 427 G HA3 0.767 4.725 3.960 -0.003 0.000 0.294 427 G C -1.734 173.147 174.900 -0.031 0.000 1.369 427 G CA -0.649 44.417 45.100 -0.056 0.000 0.912 427 G HN 0.645 nan 8.290 nan 0.000 0.479 428 F N -0.021 119.900 119.950 -0.048 0.000 2.508 428 F HA 0.564 5.090 4.527 -0.002 0.000 0.325 428 F C -0.351 175.354 175.800 -0.159 0.000 1.090 428 F CA -1.120 56.826 58.000 -0.090 0.000 0.945 428 F CB 2.691 41.635 39.000 -0.094 0.000 1.156 428 F HN 0.316 nan 8.300 nan 0.000 0.463 429 L N 4.556 125.840 121.223 0.102 0.000 2.345 429 L HA 0.464 4.802 4.340 -0.003 0.000 0.274 429 L C -1.116 175.796 176.870 0.070 0.000 0.999 429 L CA -0.553 54.287 54.840 0.000 0.000 0.849 429 L CB 0.609 42.694 42.059 0.044 0.000 1.220 429 L HN 0.408 nan 8.230 nan 0.000 0.422 430 N N 4.490 123.170 118.700 -0.034 0.000 2.419 430 N HA 0.434 5.173 4.740 -0.003 0.000 0.264 430 N C -1.152 174.463 175.510 0.176 0.000 1.031 430 N CA -0.173 52.893 53.050 0.028 0.000 0.951 430 N CB 2.170 40.640 38.487 -0.029 0.000 1.101 430 N HN 0.376 nan 8.380 nan 0.000 0.488 431 V N 2.030 122.051 119.914 0.179 0.000 2.409 431 V HA 0.163 4.281 4.120 -0.003 0.000 0.290 431 V C 0.139 176.317 176.094 0.140 0.000 1.017 431 V CA -1.004 61.422 62.300 0.210 0.000 0.841 431 V CB 1.890 33.897 31.823 0.306 0.000 1.003 431 V HN 0.496 nan 8.190 nan 0.000 0.426 432 D N 2.908 123.386 120.400 0.130 0.000 2.382 432 D HA 0.576 5.214 4.640 -0.003 0.000 0.245 432 D C 0.459 176.800 176.300 0.069 0.000 1.120 432 D CA 1.595 55.647 54.000 0.087 0.000 0.890 432 D CB 1.917 42.767 40.800 0.082 0.000 1.201 432 D HN 0.909 nan 8.370 nan 0.000 0.433 433 G N 2.579 111.405 108.800 0.045 0.000 2.350 433 G HA2 0.105 4.063 3.960 -0.003 0.000 0.282 433 G HA3 0.105 4.063 3.960 -0.003 0.000 0.282 433 G C -2.857 172.057 174.900 0.023 0.000 1.314 433 G CA -0.941 44.181 45.100 0.037 0.000 0.915 433 G HN 0.403 nan 8.290 nan 0.000 0.499 434 P HA 0.366 nan 4.420 nan 0.000 0.275 434 P C 0.699 178.006 177.300 0.011 0.000 1.227 434 P CA -0.388 62.721 63.100 0.014 0.000 0.781 434 P CB 1.612 33.321 31.700 0.016 0.000 0.906 435 K N 2.565 122.966 120.400 0.001 0.000 2.026 435 K HA -0.074 4.245 4.320 -0.003 0.000 0.208 435 K C 0.297 176.907 176.600 0.016 0.000 1.048 435 K CA 1.179 57.463 56.287 -0.006 0.000 0.929 435 K CB 0.017 32.509 32.500 -0.015 0.000 0.713 435 K HN 0.386 nan 8.250 nan 0.000 0.439 436 N N 1.677 120.395 118.700 0.030 0.000 2.421 436 N HA 0.126 4.864 4.740 -0.003 0.000 0.285 436 N C -1.249 174.297 175.510 0.060 0.000 1.027 436 N CA -0.331 52.760 53.050 0.067 0.000 0.918 436 N CB 1.762 40.284 38.487 0.059 0.000 1.152 436 N HN 0.361 nan 8.380 nan 0.000 0.485 437 D N -1.938 118.523 120.400 0.101 0.000 2.921 437 D HA 0.161 4.800 4.640 -0.003 0.000 0.329 437 D C 0.570 176.958 176.300 0.147 0.000 1.293 437 D CA -0.564 53.482 54.000 0.076 0.000 0.964 437 D CB -0.132 40.703 40.800 0.059 0.000 1.435 437 D HN 0.210 nan 8.370 nan 0.000 0.548 438 S N -0.846 114.918 115.700 0.107 0.000 2.453 438 S HA -0.010 4.458 4.470 -0.003 0.000 0.231 438 S C 1.818 176.495 174.600 0.128 0.000 1.005 438 S CA 0.343 58.629 58.200 0.144 0.000 0.949 438 S CB -0.696 62.548 63.200 0.074 0.000 0.774 438 S HN 0.503 nan 8.310 nan 0.000 0.510 439 I N 0.251 120.873 120.570 0.086 0.000 2.406 439 I HA 0.196 4.365 4.170 -0.003 0.000 0.249 439 I C 1.153 177.285 176.117 0.026 0.000 1.122 439 I CA 0.831 62.161 61.300 0.050 0.000 1.431 439 I CB 0.044 38.073 38.000 0.047 0.000 1.087 439 I HN 0.378 nan 8.210 nan 0.000 0.424 440 M N 0.238 119.861 119.600 0.039 0.000 2.322 440 M HA 0.306 4.785 4.480 -0.003 0.000 0.285 440 M C -1.893 174.429 176.300 0.037 0.000 1.119 440 M CA -0.507 54.778 55.300 -0.026 0.000 0.953 440 M CB 1.858 34.445 32.600 -0.023 0.000 1.701 440 M HN 0.209 nan 8.290 nan 0.000 0.479 441 H N 0.990 120.055 119.070 -0.009 0.000 3.064 441 H HA 0.479 5.034 4.556 -0.003 0.000 0.352 441 H C -1.584 173.737 175.328 -0.013 0.000 1.260 441 H CA -1.040 55.002 56.048 -0.011 0.000 1.160 441 H CB 0.713 30.471 29.762 -0.007 0.000 1.879 441 H HN 0.663 nan 8.280 nan 0.000 0.544 442 E N 1.788 122.070 120.200 0.137 0.000 2.422 442 E HA 0.389 4.738 4.350 -0.003 0.000 0.260 442 E C 0.417 177.125 176.600 0.180 0.000 1.108 442 E CA -0.144 56.308 56.400 0.088 0.000 0.943 442 E CB 0.491 30.224 29.700 0.056 0.000 0.961 442 E HN 1.285 nan 8.360 nan 0.000 0.443 443 G N 1.892 110.744 108.800 0.087 0.000 2.828 443 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.463 443 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.463 443 G C -2.387 172.578 174.900 0.108 0.000 1.394 443 G CA -0.407 44.750 45.100 0.094 0.000 0.862 443 G HN 0.714 nan 8.290 nan 0.000 0.540 444 P HA 0.586 nan 4.420 nan 0.000 0.274 444 P C 0.442 177.835 177.300 0.155 0.000 1.256 444 P CA 0.410 63.555 63.100 0.075 0.000 0.795 444 P CB 0.572 32.300 31.700 0.047 0.000 1.038 445 A N 0.000 122.882 122.820 0.103 0.000 2.254 445 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 445 A CA 0.000 52.115 52.037 0.129 0.000 0.836 445 A CB 0.000 19.043 19.000 0.072 0.000 0.831 445 A HN 0.000 nan 8.150 nan 0.000 0.486